1 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
2 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
4 [H]C12OC(CO)C([H])(OC3([H])OC(CO)C([H])(OC4([H])OC(CO)C([H])(OC5([H])OC(CO)C([H])(OC6([H])OC(CO)C([H])(OC7([H])OC(CO)C([H])(O1)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O
5 OC1CCCCC1
6 O=C1CCCCC1
7 CC1CCCCC1=O
8 OC1CCCC[C@H]1O |r|
9 CCCCCCO
10 O=C1CCCCN1
11 [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
12 [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 |r|
13 OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O
14 [Ca++]
15 [Mg++]
16 [Zn++]
17 Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=N)cn2C)cc1C(=O)NCCC(N)=N
18 Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
19 NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
20 Cc1c2Cc3[n-]c(Cc4c(C=C)c(C)c(Cc5[n-]c(Cc([nH]2)c1CCC(O)=O)c(CCC(O)=O)c5C)n4C)c(C)c3C=C
21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
22 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2cn[nH]c2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1
23 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1
24 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O
25 OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O
26 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O
27 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCC2)C(=O)N(CC2CCC2)[C@@H]1Cc1ccccc1
28 OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O
29 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC)C1=O
30 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O
31 [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-1=O
32 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1
33 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O
34 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-1=O
35 OC(Br)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(O)Br)C1=O
36 CS(=O)(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O
37 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O
38 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]=[#6])-[#6]-1=O
39 CC(O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)O)C1=O
40 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C(=O)N(CC=C)[C@@H]1Cc1ccccc1
41 CS(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O
42 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC=C)[C@@H]1Cc1ccccc1
43 OCC(O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(O)CO)C1=O
44 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C(=O)N(CC2CCCC2)[C@@H]1Cc1ccccc1
45 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C1=O
46 CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC)C1=O
47 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1
48 COC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(O)=O)C1=O
49 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C1=O
50 OC(=O)COc1ccc2ccccc2c1
51 CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC)C1=O
52 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(C\C=C\c2ccccc2)[C@@H]1Cc1ccccc1
53 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2ccccc2)C(=O)N(C\C=C\c2ccccc2)[C@@H]1Cc1ccccc1
54 CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O
55 OC1C(Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)OC(C(O)C1O)C(O)=O
56 CNC(=O)n1cc(\C=C\CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C\C=C\c3cnn(c3)C(=O)NC)C2=O)cn1
57 CC(C)CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC(C)C)C1=O
58 COCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O
59 CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC)C1=O
60 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)OCc2cccnc2)C(=O)N(CCCCCNC(=O)OCc2cccnc2)[C@@H]1Cc1ccccc1
61 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC=C)C(=O)N(CCCCC=C)[C@@H]1Cc1ccccc1
62 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)Oc2ccc(cc2)[N+]([O-])=O)C(=O)N(CCCCCNC(=O)OCc2ccncc2)[C@@H]1Cc1ccccc1
63 CC(C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC(C)C)C1=O
64 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC2CO2)C(=O)N(CCCCC2CO2)[C@@H]1Cc1ccccc1
65 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cccc(c2)C(F)(F)F)C(=O)N(CCCCCNC(=O)c2cccc(c2)C(F)(F)F)[C@@H]1Cc1ccccc1
66 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)Nc2ccccc2)C(=O)N(CCCCCNC(=O)Nc2ccccc2)[C@@H]1Cc1ccccc1
67 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cccc(F)c2)C(=O)N(CCCCCNC(=O)c2cccc(F)c2)[C@@H]1Cc1ccccc1
68 C\C(CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC\C(C)=N/O)C1=O)=N\O
69 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccncc2)C(=O)N(CCCCCNC(=O)c2ccncc2)[C@@H]1Cc1ccccc1
70 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccc(F)cc2)C(=O)N(CCCCCNC(=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1
71 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCl)C1=O
72 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cc(F)cc(F)c2)C(=O)N(CCCCCNC(=O)c2cc(F)cc(F)c2)[C@@H]1Cc1ccccc1
73 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(Br)Br)C(=O)N(CCCCCC(Br)Br)[C@@H]1Cc1ccccc1
74 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2ccccc2O)C(=O)N(C\C=C\c2ccccc2O)[C@@H]1Cc1ccccc1
75 CSCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O
76 COC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(=O)OC)C1=O
77 CC(C)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)C)C1=O
78 CNS(=O)(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O
79 CC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O
80 OCC1CC1CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2CO)C1=O
81 OCCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCO)C1=O
82 CNC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(=O)NC)C1=O
83 CC(C)(C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC(C)(C)C)C1=O
84 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)N(CC2CCCCC2)[C@@H]1Cc1ccccc1
85 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCc2ccccc2)C(=O)N(CCCc2ccccc2)[C@@H]1Cc1ccccc1
86 COCCOCn1cc(\C=C\CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C\C=C\c3cnn(COCCOC)c3)C2=O)cn1
87 OCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCO)C1=O
88 CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCOC(=O)NC)C1=O
89 CC(C)(O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)(C)O)C1=O
90 C\C(=C/CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C(/C)C(O)=O)C1=O)C(O)=O
91 CC(C)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(C)C)C1=O
92 OCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCO)C1=O
93 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccccc2)C(=O)N(CCCCCNC(=O)c2ccccc2)[C@@H]1Cc1ccccc1
94 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCOC=C)C(=O)N(CCOC=C)[C@@H]1Cc1ccccc1
95 CC(=O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)=O)C1=O
96 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC#N)C(=O)N(CCCCC#N)[C@@H]1Cc1ccccc1
97 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCc2ccccc2)C1=O
98 COCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCOC)C1=O
99 CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC)C1=O
100 CC(C)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(C)C)C1=O
101 CNC(=O)OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCOC(=O)NC)C1=O
102 CNC(=S)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=S)NC)C1=O
103 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CCCN2C(=O)c3ccccc3C2=O)[C@@H]1Cc1ccccc1
104 CC(C)(CO)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)(C)CO)C1=O
105 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC(N=O)c2ccc(F)cc2)C(=O)N(CCCC(N=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1
106 CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCOC(C)=O)C1=O
107 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)CN2CCOCC2)C(=O)N(CCCCCNC(=O)CN2CCOCC2)[C@@H]1Cc1ccccc1
108 CS(=O)(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNS(C)(=O)=O)C1=O
109 CNCC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)CNC)C1=O
110 Cc1ccc(cc1)S(=O)(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNS(=O)(=O)c2ccc(C)cc2)C1=O
111 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccccc2F)C(=O)N(CCCCCNC(=O)c2ccccc2F)[C@@H]1Cc1ccccc1
112 CCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCC)C1=O
113 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=S)Nc2ccccc2)C(=O)N(CCCCCNC(=S)Nc2ccccc2)[C@@H]1Cc1ccccc1
114 CNC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)NC)C1=O
115 CSc1nnc(NCC=CCN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CC=CCNc3nnc(SC)[nH]3)C2=O)[nH]1 |w:35.37,8.7|
116 COC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)OC)C1=O
117 CC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(C)=O)C1=O
118 [H][C@@]1(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C[C@]3([H])CC3(c3ccccc3)c3ccccc3)C2=O)CC1(c1ccccc1)c1ccccc1
119 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C[C@@H]2C[C@H]2c2ccccc2)C(=O)N(C[C@H]2C[C@@H]2c2ccccc2)[C@@H]1Cc1ccccc1 |r|
120 OCCCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCCO)C1=O
121 COCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOC)C1=O
122 CN(C)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCN(C)C)C1=O
123 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)N(CCC23CC4CC(CC(C4)C2)C3)[C@@H]1Cc1ccccc1 |TLB:22:17:24:21.23.20,22:21:24:17.16.18,33:34:38:32.31.37,THB:20:19:16:21.23.22,20:21:16:19.24.18,33:32:38:34.39.35,35:36:31:34.39.33,35:34:31:36.38.37|
124 [H][C@](O)(CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC[C@@]([H])(O)c2ccc(F)cc2)C1=O)c1ccc(F)cc1
125 CCOCCN1[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)N(CCOCC)C1=O
126 OC(CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(O)Cc2ccccc2)C1=O)Cc1ccccc1
127 NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCN)C1=O
128 NCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCN)C1=O
129 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cnccn2)C(=O)N(CCCCCNC(=O)c2cnccn2)[C@@H]1Cc1ccccc1
130 [H]C(N)(CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC([H])(N)c2ccc(F)cc2)C1=O)c1ccc(F)cc1 |w:1.0,31.33|
131 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCn2cccn2)C(=O)N(CCCCCn2cccn2)[C@@H]1Cc1ccccc1
132 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC#Cc2ccccc2)C(=O)N(CC#Cc2ccccc2)[C@@H]1Cc1ccccc1
133 [NH3+]CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC[NH3+])C1=O
134 Cc1cc(C)cc(NC\C=C\CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C\C=C\CNc3cc(C)cc(C)c3)C2=O)c1
135 OCCOCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOCCO)C1=O
136 CN(C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCN(C)C)C1=O
137 CC(O)CC1C(CCN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CCC3C(CC(C)O)C3(C)C)C2=O)C1(C)C
138 C[NH+](C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC[NH+](C)C)C1=O
139 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC(=O)c2ccc(F)cc2)C(=O)N(CCCC(=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1
140 CC1=NOC(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CC3CC(C)=NO3)C2=O)C1 |c:34,t:1|
141 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C(=O)N(CCN2CCOCC2)[C@@H]1Cc1ccccc1
142 CCC(O)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(O)CC)C1=O
143 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCC2CCNCC2)C(=O)N(CCC2CCNCC2)[C@@H]1Cc1ccccc1
144 CC(=O)NCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCNC(C)=O)C1=O
145 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCNC(=O)Cc2ccccn2)C(=O)N(CCNC(=O)Cc2ccccn2)[C@@H]1Cc1ccccc1
146 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCn2ccnc2)C(=O)N(CCCCCn2ccnc2)[C@@H]1Cc1ccccc1
147 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCN2CCOCC2)C(=O)N(CCCCCN2CCOCC2)[C@@H]1Cc1ccccc1
148 CC(C)(C)C(O)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(O)C(C)(C)C)C1=O
149 OCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCO)C1=O
150 OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1
151 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1
152 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@@H]1Cc1ccccc1
153 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1
154 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nccs2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nccs2)[C@@H]1Cc1ccccc1
155 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccccc1
156 NC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1
157 CNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NC)C2=O)c1
158 CCNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NCC)C2=O)c1
159 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccccn2)[C@@H]1Cc1ccccc1
160 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)[C@@H]1Cc1ccccc1
161 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1
162 ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1
163 COc1ccccc1C1C2=C(N=c3sc(=Cc4cccc(OCC(O)=O)c4)c(=O)n13)c1ccccc1CC2 |c:10,t:12|
164 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1
165 CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12
166 O[C@H]1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccc3[nH]ncc3c2)[C@H](Cc2ccccc2)[C@@H]1O
167 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(O)=O)[C@@H]1Cc1ccccc1
168 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1
169 OCCc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1
170 COC(=O)Cc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1
171 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(C=O)c2)C(=O)N(Cc2cccc(C=O)c2)[C@@H]1Cc1ccccc1
172 CC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(C)=O)C2=O)c1
173 CCC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)CC)C2=O)c1
174 CCCC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)CCC)C2=O)c1
175 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(=O)C(F)(F)F)[C@@H]1Cc1ccccc1
176 CC(C)(C)C(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)C(C)(C)C)C2=O)c1
177 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(CN=O)c2)C(=O)N(Cc2cccc(CN=O)c2)[C@@H]1Cc1ccccc1
178 CC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(C)N=O)C2=O)c1
179 CCC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(CC)N=O)C2=O)c1
180 CCCC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(CCC)N=O)C2=O)c1
181 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(N=O)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(N=O)C(F)(F)F)[C@@H]1Cc1ccccc1
182 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1
183 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cn[nH]c2)C(=O)N(Cc2cccc(c2)-c2cn[nH]c2)[C@@H]1Cc1ccccc1
184 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2ncc[nH]2)C(=O)N(Cc2cccc(c2)-c2ncc[nH]2)[C@@H]1Cc1ccccc1
185 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2c[nH]cn2)C(=O)N(Cc2cccc(c2)-c2c[nH]cn2)[C@@H]1Cc1ccccc1
186 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2c[nH]nn2)C(=O)N(Cc2cccc(c2)-c2c[nH]nn2)[C@@H]1Cc1ccccc1
187 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2nnc[nH]2)C(=O)N(Cc2cccc(c2)-c2nnc[nH]2)[C@@H]1Cc1ccccc1
188 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2nnn[nH]2)C(=O)N(Cc2cccc(c2)-c2nnn[nH]2)[C@@H]1Cc1ccccc1
189 OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r|
190 OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccoc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r|
191 O[C@@H]1CN(Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
192 O[C@@H]1CN(Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r|
193 COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1 |r|
194 COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(Cc3ccc(O)c(OC)c3)C2=O)ccc1O |r|
195 COc1cc(CN2[C@H](Cc3ccccc3)[C@H](O)CN(Cc3ccccc3)N(CC3CC3)C2=O)ccc1O |r|
196 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
197 CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
198 CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
199 CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
200 CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C)Cc1ccccc1 |r|
201 CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C |r|
202 CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCC)C(C)C |r|
203 Fc1ccc(cc1)-c1cc(C(=O)OCC(=O)N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1
204 COCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCCOC)C(C)C |r|
205 COCCOCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCCOCCOC)C(C)C |r|
206 COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1 |r|
207 CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)CC1CCCCC1 |r|
208 COCCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)CC1CCCCC1 |r|
209 CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C |r|
210 CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCCOC)C(C)C |r|
211 COCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C |r|
212 CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCCOC)C(C)C)CC1CCCCC1 |r|
213 COC(=O)N[C@@H](C(C)C)C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r|
214 COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)Cc1ccc(OC)cc1 |r|
215 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1 |r|
216 CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
217 COc1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1 |r|
218 CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1 |r|
219 CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r|
220 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cc1)C=O |r|
221 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r|
222 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r|
223 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)CSCc1ccccc1Cl |r|
224 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
225 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
226 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
227 Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl |r|
228 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cn1)C=O |r|
229 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cn1)C(=O)CSCc1ccccc1Cl |r|
230 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
231 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C=O |r|
232 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C(=O)CSCc1ccccc1Cl |r|
233 OC(=O)C[C@H](NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)c1)C=O |r|
234 Cn1c(Cc2ccccc2)[n+]([O-])c2cc(\C=C\C(=O)NO)ccc12
235 Cn1c(CNCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
236 CN1C(CNC(=O)c2ccncc2)Nc2cc(\C=C\C(=O)NO)ccc12
237 Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C
238 Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)N(C=O)c2c(=O)[nH]1
239 COc1cccc2sc(Nc3nnc(o3)-c3cccs3)nc12
240 Cn1c(CNC(=O)Cc2ccc(F)cc2)nc2cc(\C=C\C(=O)NO)ccc12
241 CN(C)CCCCN1C(CCc2ccccc2)Nc2cc(\C=C\C(=O)NO)ccc12
242 CC(Cc1nc2cc(\C=C\C(=O)NO)ccc2n1CCc1cccnc1)c1ccccc1
243 CN(CCCCC1=CCCC=C1)c1ccc(\C=C\C(=O)NO)cc1N |c:10,t:6|
244 COc1cc(CN2C(CCc3ccccc3)Nc3cc(CCC(=O)NO)ccc23)cc(O)c1OC
245 CCn1c(CCNS(=O)(=O)c2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
246 CCn1c(C)nc2cc(\C=C\C(=O)NO)ccc12
247 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r|
248 COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1 |r|
249 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)s1)C(=O)CSCc1ccccc1Cl |r|
250 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)s1)C(=O)CSCc1ccccc1Cl |r|
251 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
252 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)s1)C(=O)CSCc1ccccc1Cl |r|
253 CN(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)S(=O)(=O)c1ccc(O)c(c1)C(O)=O |r|
254 OC(=O)C[C@H](NC(=O)c1ccc(s1)S(=O)(=O)NCc1ccc(O)c(c1)C(O)=O)C(=O)CSCc1ccccc1Cl |r|
255 OC(=O)C[C@H](NC(=O)c1ccc(CNCc2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
256 CC(=O)N(Cc1ccc(s1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl)Cc1ccc(O)c(c1)C(O)=O |r|
257 OC(=O)C[C@H](NC(=O)c1csc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)c1)C(=O)CSCc1ccccc1Cl |r|
258 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C=O |r|
259 OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C(=O)CSCc1ccccc1Cl |r|
260 Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C=O |r|
261 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)o1)C=O |r|
262 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)o1)C(=O)CSCc1ccccc1Cl |r|
263 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1cccnc1 |r|
264 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccncc1 |r|
265 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CCCc1ccccc1 |r|
266 OC(=O)C[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O |r|
267 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)nc1)C=O |r|
268 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)nc1)C=O |r|
269 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)C(O)=O)nc1)C=O |r|
270 CS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
271 CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
272 CS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
273 CS(=O)(=O)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
274 CC(=O)NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r|
275 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nnn[nH]2)nc1)C=O |r|
276 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)nc1)C=O |r|
277 CSCC(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1 |r|
278 OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r|
279 COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1 |r|
280 OC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O |r|
281 [H][C@@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
282 [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
283 COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C |(-11.67,5.02,;-11.54,3.68,;-10.41,2.64,;-9.47,1.42,;-9.65,-.11,;-9.68,-1.17,;-8.71,-2.36,;-10.68,-1.93,;-11.03,-.43,;-13.62,-1.04,;-13.27,-2.54,;-14.39,-3.59,;-11.8,-2.98,;-7.94,1.61,;-8.07,.08,;-7.35,3.03,;-6.07,3.72,;-4.54,3.57,;-4.54,2.03,;-3.21,1.26,;-1.87,2.03,;-.54,1.26,;-.54,-.28,;.79,2.03,;1.98,1.05,;3.09,1.05,;3.55,-.42,;4.14,1.87,;4.14,3.41,;5.48,4.18,;6.81,3.41,;7.98,4.41,;6.81,1.87,;7.64,1.05,;8.4,1.75,;9.16,.93,;9.22,-.17,;10.21,1.4,;5.48,1.1,;.79,3.57,;2.05,4.46,;-.54,4.34,;-1.87,3.57,;-3.21,4.34,;-3.1,6.11,;-8.29,4.26,;-9.81,4.06,;-9.92,5.25,;-9.68,3.15,)|
284 COC1C(OC(=O)c2ccc(C)[nH]2)C(O)C(Oc2ccc3c(CP([O-])([O-])=O)cc(=O)oc3c2C)OC1(C)C
285 COC1C(C)OC(Oc2ccc3c(CP([O-])([O-])=O)cc(=O)oc3c2C)C(O)C1OC(=O)c1ccc(C)[nH]1
286 Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N(C=O)c2c(=O)[nH]1
287 Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)N(C=O)c2c(=O)[nH]1
288 Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)N(C=O)c2c(=O)[nH]1
289 Nc1nc2NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)N(C=O)c2c(=O)[nH]1
290 CCCN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r|
291 CCCCCCCCN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r|
292 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C(C)C |r|
293 CCC(CC)N1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r|
294 CC(C)CN1CCN(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCS(=O)(=O)[C@@H]2C(C)C)[C@@H](C1)C(=O)NC(C)(C)C |r|
295 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(CC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C |r|
296 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCCCCC1 |r|
297 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCCCC1 |r|
298 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCCC1 |r|
299 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCC1 |r|
300 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CC1 |r,w:38.40|
301 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCOCC1 |r,w:38.40|
302 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCSCC1 |r,w:38.40|
303 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CCSC1 |r,w:38.40|
304 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1Cc2ccccc2C1 |r,w:38.40|
305 CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C1CC(C1)c1ccccc1 |r,w:38.40,wU:3.2,4.10,30.33,wD:14.14,22.24,(8.99,-13.8,;10.19,-12.09,;11.85,-12.8,;9.33,-10.83,;9.87,-9.17,;8.45,-8.14,;7.04,-9.17,;7.58,-10.83,;6.22,-11.72,;8.45,-12.09,;11.32,-8.44,;13.05,-9.69,;13.05,-11.25,;14.4,-8.49,;15.9,-9.59,;15.89,-11.25,;15.05,-12.77,;16.35,-13.52,;16.35,-15.02,;15.05,-15.77,;13.75,-15.02,;13.75,-13.52,;17.15,-8.8,;17.15,-7.44,;18.24,-9.65,;19.76,-8.87,;19.76,-7.12,;21.27,-6.24,;22.79,-7.12,;22.79,-8.87,;21.27,-9.74,;21.27,-11.17,;20.32,-11.95,;22.16,-11.85,;24.07,-11.85,;25.17,-10.65,;25.17,-11.8,;25.02,-13.25,;24.22,-6.3,;24.22,-4.55,;25.97,-4.55,;25.97,-6.3,;27.21,-3.75,;27.13,-2.28,;28.36,-1.48,;29.67,-2.15,;29.75,-3.62,;28.52,-4.42,)|
306 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCO[C@H]1C)C2)C(=O)NC(C)(C)C |r|
307 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCO[C@@H]1C)C2)C(=O)NC(C)(C)C |r|
308 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r|
309 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r|
310 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C)C(C2)C(=O)NC(C)(C)C |r|
311 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@@H]1C)C2)C(=O)NC(C)(C)C |r|
312 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
313 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
314 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C)C2)C(=O)NC(C)(C)C |r|
315 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C(C)C)C(C2)C(=O)NC(C)(C)C |r|
316 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C(C2)C(=O)NC(C)(C)C |r|
317 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS[C@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
318 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
319 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
320 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
321 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
322 [H][C@]12CCS[C@@]1([H])CC(N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
323 CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(C)S1(=O)=O |r|
324 CNC(=O)CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)NC)S1(=O)=O |r|
325 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)Nc2nccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
326 CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(=O)NC)S2(=O)=O)c1 |r|
327 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(I)c2)S(=O)(=O)N(Cc2cccc(I)c2)[C@@H]1COc1ccccc1 |r|
328 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(c2)-c2cccs2)S(=O)(=O)N(Cc2cccc(c2)-c2cccs2)[C@@H]1COc1ccccc1 |r|
329 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(Cc2ccc(cc2)-c2cccs2)[C@@H]1COc1ccccc1 |r|
330 CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O |r|
331 CNC(=O)CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O |r|
332 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
333 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r|
334 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(c2)-c2cccs2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r|
335 CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccccc3)S2(=O)=O)c1 |r|
336 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(I)c2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
337 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(c2)-c2cccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
338 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
339 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(c2)-c2cccs2)S(=O)(=O)N(Cc2ccc(cc2)-c2cccs2)[C@@H]1COc1ccccc1 |r|
340 COC(O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1 |r|
341 CCCOc1ccc(cc1)C(CC(O)=O)NC(=O)c1ccc2OCOc2c1
342 CC(N=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)N=O)S2(=O)=O)c1 |r|
343 CC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(C)=O)S2(=O)=O)c1 |r|
344 OCCc1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(CCO)c3)S2(=O)=O)c1 |r|
345 COC(Cc1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(CC(OC)OC)c3)S2(=O)=O)c1)OC |r|
346 OCc1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1 |r|
347 COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(cc3)C(=O)OC)S2(=O)=O)cc1 |r|
348 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
349 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
350 CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
351 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
352 CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
353 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
354 CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
355 CNC(=O)[C@@H](NC(=O)[C@H](OCc1c(F)cccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
356 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)c(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
357 CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
358 O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
359 O[C@H]([C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
360 O[C@H]([C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
361 O[C@H]([C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
362 O[C@H]([C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
363 O[C@H]([C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
364 O[C@H]([C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
365 O[C@H]([C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
366 O[C@H]([C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
367 O[C@H]([C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
368 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(C2)C(=O)NC(C)(C)C |r|
369 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)C1)C(C2)C(=O)NC(C)(C)C |r|
370 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)C1)C(C2)C(=O)NC(C)(C)C |r|
371 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCCS(C)(=O)=O)C(C2)C(=O)NC(C)(C)C |r|
372 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCO[C@H]1C)C(C2)C(=O)NC(C)(C)C |r|
373 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCO[C@@H]1C)C(C2)C(=O)NC(C)(C)C |r|
374 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C(C2)C(=O)NC(C)(C)C |r|
376 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1CC)C(C2)C(=O)NC(C)(C)C |r|
377 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1CC)C(C2)C(=O)NC(C)(C)C |r|
380 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1CC(C)C)C(C2)C(=O)NC(C)(C)C |r|
381 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1CC(C)C)C(C2)C(=O)NC(C)(C)C |r|
382 OC(=O)c1ccc2cccc(O)c2n1
383 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
384 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1 |r|
385 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r|
386 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 |r|
387 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCCOC1 |r|
388 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)OC1CCOCC1 |r|
389 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C2)C(=O)NC(C)(C)C |r|
390 N[C@@H](Cc1conc1C(O)=O)C(O)=O
391 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)C(C2)C(=O)NC(C)(C)C |r|
392 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC=C1)C(C2)C(=O)NC(C)(C)C |r,c:31|
393 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1COCC=C1)C(C2)C(=O)NC(C)(C)C |r,c:31|
394 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1)C(C2)C(=O)NC(C)(C)C |r|
395 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCCOC1)C(C2)C(=O)NC(C)(C)C |r|
396 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1
397 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1
398 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccccc3)cc2C(C)(C)C)C(=O)O1
399 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(F)cc3)cc2C(C)(C)C)C(=O)O1
400 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc2C(C)(C)C)C(=O)O1
401 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1
402 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccc(c3)C#N)cc2C(C)(C)C)C(=O)O1
403 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1
404 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccs3)cc2C(C)(C)C)C(=O)O1
405 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccccn3)cc2C(C)(C)C)C(=O)O1
406 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccnc3)cc2C(C)(C)C)C(=O)O1
407 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1
408 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1N)C(C)(C)C
409 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(C)(=O)=O)C(C)(C)C
410 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1ccccc1)C(C)(C)C
411 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1ccc(F)cc1)C(C)(C)C
412 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)C
413 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(C)(C)C
414 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1ccc(cc1)C#N)C(C)(C)C
415 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C
416 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1cccc(c1)-c1cccs1)C(C)(C)C
417 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1NS(=O)(=O)c1nccn1C)C(C)(C)C
418 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c(cc1NS(=O)(=O)c1ccccc1)C(C)(C)C
419 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1NS(=O)(=O)c1ccccc1)C(C)(C)C
420 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1
421 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1
422 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1
423 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccc(c3)C#N)cc2C(C)(C)C)C(=O)O1
424 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1
425 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccs3)cc2C(C)(C)C)C(=O)O1
426 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccccn3)cc2C(C)(C)C)C(=O)O1
427 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3cccnc3)cc2C(C)(C)C)C(=O)O1
428 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1
429 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1
430 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O1
431 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1
432 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccccc3)cc2C(C)(C)C)C(=O)O1
433 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccc(F)cc3)cc2C(C)(C)C)C(=O)O1
434 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1
435 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3cccs3)cc2C(C)(C)C)C(=O)O1
436 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1
437 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccccn3)cc2C(C)(C)C)C(=O)O1
438 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3cccnc3)cc2C(C)(C)C)C(=O)O1
439 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OS(=O)(=O)c1ccccc1)C(C)(C)C
440 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OS(=O)(=O)c1ccc(F)cc1)C(C)(C)C
441 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OS(=O)(=O)c1nccn1C)C(C)(C)C
442 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1OS(=O)(=O)c1ccccc1)C(C)(C)C
443 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1OS(=O)(=O)c1ccc(cc1)C#N)C(C)(C)C
444 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1OS(=O)(=O)c1ccc(F)cc1)C(C)(C)C
445 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1OS(=O)(=O)c1nccn1C)C(C)(C)C
446 CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1
447 CC(C)CC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1
448 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(O)cc2C(C)(C)C)C(=O)O1
449 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1
450 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccccn3)cc2C(C)(C)C)C(=O)O1
451 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3cccnc3)cc2C(C)(C)C)C(=O)O1
452 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1
453 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3cccc(c3)-c3cccnc3)cc2C(C)(C)C)C(=O)O1
454 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3nccn3C)cc2C(C)(C)C)C(=O)O1
455 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccccc3-c3cccs3)cc2C(C)(C)C)C(=O)O1
456 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)N(C)C)cc2C(C)(C)C)C(=O)O1
457 CCNS(=O)(=O)Nc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
458 CCNS(=O)(=O)Nc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
459 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N(C)C)cc2C(C)(C)C)C(=O)O1
460 CCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
461 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N(C)C)cc2C(C)(C)C)C(=O)O1
462 CCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
463 CCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
464 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1
465 CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1 |r|
466 CC(C)[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(N)cc2C(C)(C)C)C(=O)O1 |r|
467 CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1 |r|
468 CC(C)[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1 |r|
469 CC(C)[C@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cc3)C#N)cc2C(C)(C)C)C(=O)O1 |r|
470 CC(C)[C@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1 |r|
471 CC(C)[C@@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)cc2C(C)(C)C)C(=O)O1 |r|
472 CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(C)(=O)=O)cc2C(C)(C)C)C(=O)O1 |r|
473 CNC(=O)N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
474 CCCCNC(=O)N(C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
475 CNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
476 CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
477 CCCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r|
478 CCCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
479 CCNC(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
480 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)C |r|
481 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C |r|
482 CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C |r|
483 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C |r|
484 CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C |r|
485 CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C |r|
486 CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C |r|
487 CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)CC1CCCCC1 |r|
488 CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1 |r|
489 CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Cc1ccccc1 |r|
490 CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)Cc1ccccc1 |r|
491 C[C@@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1 |r|
492 C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)c1ccccc1 |r|
493 CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Cc1ccncc1 |r|
494 CC(C)(C)NC(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)Cc1ccncc1 |r|
495 CNC(=O)N(C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
496 CCCCNC(=O)N(C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
497 CNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
498 CCCCNC(=O)N(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
499 CCCCCCc1cc2C(O)C(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)C(=O)Oc2cc1O
500 OC1C(Sc2c(O)c3ccccc3oc2=O)C(=O)Oc2ccccc12
501 [H][C@]12CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:30|
502 Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O |w:13.14|
503 Oc1cccc2oc(=O)c(Cc3ccccc3)c(O)c12
504 CC(=O)NC(Cc1ccsc1)(C(O)=O)C(O)=O
505 Oc1c(C(c2ccc3OCOc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
506 Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
507 CC1CCC2(O)C(O)C(CCC2(C)C1C)OC(C)=O
508 Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |w:13.14|
509 OCCN(C(C(O)c1ccccc1)c1ccccc1)C(=O)Oc1ccccc1
510 OC1(C2N=CC=CC2C2=C(C(=O)c3ccccc3C2=O)C1(O)S(O)(=O)=O)S(O)(=O)=O |c:3,5,t:9|
511 CC(C)CC(NC(=O)OCc1ccccc1)(C(O)=O)C(O)=O
512 CCCC(=O)C1C(=O)C(Cc2c(O)c(C)c(O)c(C(=O)CCC)c2O)C(=O)C(C)(C)C1=O
513 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@@]1(C)C2=CC[C@@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)[C@](C)(C(O)=O)[C@@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
514 Oc1c(-c2ccccc2)c(=O)oc2c(cccc12)-c1ccccc1
515 Oc1c(-c2ccccc2)c(=O)oc2ccccc12
516 CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
517 CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|
518 Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |@@:23|
519 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|
520 CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
521 [H][C@@]1(CCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
522 [H][C@@]1(CCSC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
523 [H][C@]1(CCSC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
524 [H][C@@]1(CCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
525 [H][C@@]1(CCCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
526 [H][C@]1(CCCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
527 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CS(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r|
528 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCO[C@H]1C)C2)C(=O)NC(C)(C)C |r|
529 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCO[C@@H]1C)C2)C(=O)NC(C)(C)C |r|
530 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
531 [H][C@]12CCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C)C2)C(=O)NC(C)(C)C |r|
532 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C)C2)C(=O)NC(C)(C)C |r|
533 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CS(=O)(=O)C[C@@H]1C)C2)C(=O)NC(C)(C)C |r|
534 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CS(=O)(=O)C[C@H]1C)C2)C(=O)NC(C)(C)C |r|
535 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1C[C@@H](C)S(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r|
536 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C[C@H](C)S(=O)(=O)C1)C2)C(=O)NC(C)(C)C |r|
537 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1CCC)C2)C(=O)NC(C)(C)C |r|
538 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1CCC)C2)C(=O)NC(C)(C)C |r|
539 [H][C@]12CCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C(C)C)C2)C(=O)NC(C)(C)C |r|
540 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1C1CCCC1)C2)C(=O)NC(C)(C)C |r|
541 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1C1CCCC1)C2)C(=O)NC(C)(C)C |r|
542 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCS(=O)(=O)[C@H]1CCCC)C2)C(=O)NC(C)(C)C |r|
543 [H][C@]12CCCC[C@@]1([H])C[C@]([H])(N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCS(=O)(=O)[C@@H]1CCCC)C2)C(=O)NC(C)(C)C |r|
544 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)O1
545 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)C(=O)O1
546 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)C(=O)O1
547 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)C(=O)O1
548 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
549 CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r|
550 CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r|
551 CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r|
552 CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1 |r|
553 CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r|
554 CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r|
555 CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r|
556 CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1 |r|
557 CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r|
558 CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r|
559 CCC[C@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r|
560 CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 |r|
561 [H][C@@]1(CCS[C@@]1([H])COC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
562 [H][C@@]1(CCS(=O)(=O)[C@@]1([H])COC)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
563 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 |r|
564 [H][C@]1(CO[C@]2([H])OCC[C@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
565 [H][C@@]1(CO[C@@]2([H])OCCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
566 [H][C@]1(CO[C@]2([H])OCCC[C@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
567 [H][C@@]1(CO[C@@]2([H])CCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
568 [H][C@@]1(CC[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
569 [H][C@@]12OCC[C@@]1(CCO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r,wU:5.10,35.41,1.0,wD:13.14,21.24,32.36,26.29,35.40,(4.52,-9.11,;5.99,-8.64,;5.08,-7.39,;5.99,-6.15,;7.45,-6.62,;7.45,-8.16,;8.36,-9.41,;7.45,-10.65,;5.99,-10.18,;9.12,-7.51,;10.59,-8.28,;10.59,-9.44,;12.11,-7.48,;13.67,-8.48,;13.67,-9.91,;14.86,-11.26,;16.32,-11.18,;17.12,-12.41,;16.46,-13.72,;15,-13.8,;14.19,-12.57,;14.94,-7.72,;14.94,-6.34,;16.46,-8.48,;18.03,-7.68,;18.03,-6.09,;19.41,-5.29,;18.08,-4.52,;19.41,-3.7,;20.79,-2.9,;22.17,-3.7,;22.17,-5.29,;20.79,-6.09,;22.12,-6.86,;20.79,-7.68,;19.41,-8.47,;18.43,-9.66,;19.84,-9.95,;21.33,-9.95,;19.4,-11.56,;19.97,-12.79,;21.34,-13.7,;20.02,-14.17,;18.91,-13.74,)|
570 [H][C@@]1(CO[C@@]2([H])COC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
571 [H][C@]1(CO[C@]2([H])CCO[C@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
572 [H][C@@]12CCO[C@]1(C)OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
573 [H][C@@]1(C)C[C@@]2([H])[C@]([H])(CO[C@@]2([H])O1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
574 [H][C@]1(C)C[C@@]2([H])[C@]([H])(CO[C@@]2([H])O1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(=O)NC(C)(C)C |r|
576 O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1 |c:2|
577 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
578 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1 |r|
579 CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
580 Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r|
581 CC(C)CC(NC(=O)C(C)NC(=O)C[C@@H](O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(O)CC(O)=O |r|
582 CC1CCCN(C1)c1nc2c(C)cccn2c(=O)c1C=C(C#N)C(=O)NCc1ccco1 |w:19.21|
583 COc1cccc2c1[nH]c1c(N)cccc1c2=O
584 O[C@@H]([C@@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](CCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
585 O[C@@H]([C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](CCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
586 CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
587 CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](CCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
588 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)OC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)OC |r|
589 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(N)=O |r|
590 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC |r|
591 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
592 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)OCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1ccccc1 |r|
593 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)N(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)C |r|
594 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC(F)(F)F)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(F)(F)F |r|
595 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)N2CCCCC2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCCCC1 |r|
596 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC2CCCCC2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC1CCCCC1 |r|
597 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)N(C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1 |r|
598 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccc(cc2)N(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)N(C)C |r|
599 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC(=O)OC(C)(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(=O)OC(C)(C)C |r|
600 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCC(O)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC(O)=O |r|
601 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccn2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccn1 |r|
602 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCCO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCO |r|
603 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)N(CCO)CCO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)N(CCO)CCO |r|
604 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@@H](CO)NC(=O)Cc2ccccc2)C(C)(C)S1)[C@@H](CO)NC(=O)Cc1ccccc1 |r|
605 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@@H](COC(=O)c2ccccc2)NC(=O)Cc2ccccc2)C(C)(C)S1)[C@@H](COC(=O)c1ccccc1)NC(=O)Cc1ccccc1 |r|
606 [H][C@@]1(CNC(=O)Cc2ccccc2)N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@]([H])(CNC(=O)Cc3ccccc3)SC2(C)C)C(C)(C)S1 |r|
607 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@H](CNC(=O)Cc3ccccc3)SC2(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC |r|
608 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2NCSC2(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCC |r|
609 O=C1CN(C(=O)\C(CN1)=C\c1ccccc1)S(=O)(=O)c1ccc(cc1)C#N
611 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](N)C(=O)NCC)C(C)(C)S1)[C@H](N)C(=O)NCC |r|
612 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1)C(=O)NCC |r|
613 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)CCc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)CCc1ccccc1)C(=O)NCC |r|
614 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccc3ccccc3c2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)NCC |r|
615 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccn2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccn1)C(=O)NCC |r|
616 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2cccs2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1cccs1)C(=O)NCC |r|
617 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC |r|
618 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccc(O)cc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccc(O)cc1)C(=O)NCC |r|
619 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)CC(C)C)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)CC(C)C)C(=O)NCC |r|
620 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2c(C)onc2-c2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1c(C)onc1-c1ccccc1)C(=O)NCC |r|
621 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCC |r|
622 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2Cc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1Cc1ccccc1)C(=O)NCC |r|
623 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2Oc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)NCC |r|
624 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2Nc2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)c1ccccc1Nc1ccccc1)C(=O)NCC |r|
625 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)\C=C/c2ccccc2)C(=O)NCC)C(C)(C)S1)[C@H](NC(=O)\C=C/c1ccccc1)C(=O)NCC |r|
626 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccn2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccn1)C(=O)NCc1ccccc1 |r|
627 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccn2)C(=O)NCc2ccc(Cl)cc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccn1)C(=O)NCc1ccc(Cl)cc1 |r|
628 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccn2)C(=O)NCc2ccc(Cl)cc2Cl)C(C)(C)S1)[C@H](NC(=O)Cc1ccccn1)C(=O)NCc1ccc(Cl)cc1Cl |r|
629 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCc1ccccc1 |r|
630 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCc2ccc(cc2)N(C)C)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCc1ccc(cc1)N(C)C |r|
631 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCC(=O)OC(C)(C)C)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCC(=O)OC(C)(C)C |r|
632 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)NCC(O)=O)C(C)(C)S1)[C@H](NC(=O)c1ccccc1-c1ccccc1)C(=O)NCC(O)=O |r|
633 C1C(c2cccs2)n2nnnc2N=C1c1ccccc1 |c:14|
634 Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N
635 [H][C@]1(N[C@@H](C(=O)NCCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
636 [H][C@]1(N[C@@H](C(=O)NCC(O)CNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
637 [H][C@]1(N[C@@H](C(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
638 [H][C@]1(N[C@@H](C(=O)NCCO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
639 [H][C@]1(N[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
640 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
641 [H][C@]1(N[C@@H](C(=O)N[C@H](CO)CCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
642 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)CCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
643 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)CC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
644 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)C(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
645 Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
646 [H][C@]1(N[C@@H](C(=O)NC(CO)CCCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
647 [H][C@]1(N[C@@H](C(=O)NC(CO)C(C)CC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
648 [H][C@]1(N[C@@H](C(=O)N[C@H](C)CO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
649 [H][C@]1(N[C@@H](C(=O)N[C@@H](C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
650 [H][C@]1(N[C@@H](C(=O)N[C@H](C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
651 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
652 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
653 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)NCC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
654 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
655 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
656 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
657 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)Nc2nc3ccccc3[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
658 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)Nc2nc3ccccc3[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
659 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)c2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
660 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@H](CO)c2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
661 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
662 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
663 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCCc2ncc[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
664 CN1CNc2cc(\C=C\C(=O)NO)ccc12
665 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C |r|
666 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc2ncccc2c1)NC(=O)OC(C)(C)C |r|
667 COc1ccc(CNCc2nc3cc(\C=C\C(=O)NO)ccc3n2C)cc1
668 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C |r|
669 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1O)NC(=O)OC(C)(C)C |r|
670 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCn2ccnc2)cc1)NC(=O)OC(C)(C)C |r|
671 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCc2ccccn2)cc1)NC(=O)OC(C)(C)C |r|
672 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCOc2cccnc2)cc1)NC(=O)OC(C)(C)C |r|
673 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCC(O)c2cccnc2)cc1)NC(=O)OC(C)(C)C |r|
674 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCO)cc1)NC(=O)OC(C)(C)C |r|
675 COCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |r|
676 CC(O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |r|
677 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCC(C)(C)O)cc1)NC(=O)OC(C)(C)C |r|
678 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCC(O)=O)cc1)NC(=O)OC(C)(C)C |r|
679 CN(C)C(=O)OCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |r|
680 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCN2CCOC2=O)cc1)NC(=O)OC(C)(C)C |r|
681 CN1CCN(CCOc2ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)C1=O |r|
682 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C |r|
683 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(CCC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C |r|
684 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCN2CCOCC2)cc1)NC(=O)OC(C)(C)C |r|
685 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCC(=O)N2CCCCC2)cc1)NC(=O)OC(C)(C)C |r|
686 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(COC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C |r|
687 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C |r|
688 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1cccc(OCc2ccccc2)c1)NC(=O)OC(C)(C)C |r|
689 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCCc2nc3ccccc3o2)cc1)NC(=O)OC(C)(C)C |r|
690 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCc2nc3ccccc3o2)cc1)NC(=O)OC(C)(C)C |r|
691 COCCCCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |r|
692 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCCN2CCOCC2)cc1)NC(=O)OC(C)(C)C |r|
693 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCCN2CCOCC2=O)cc1)NC(=O)OC(C)(C)C |r|
694 O[C@H]([C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
695 O[C@H]([C@@H](O)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
696 O[C@H]([C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
697 O[C@H]([C@@H](O)[C@@H](SCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
698 O[C@H]([C@@H](O)[C@@H](Sc1ccccn1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1ccccn1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
699 O[C@H]([C@@H](O)[C@@H](SCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
700 O[C@H]([C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1cccs1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
701 CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
702 CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
703 CNC(=O)[C@@H](NC(=O)[C@H](Sc1cccs1)[C@H](O)[C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
704 CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 |r|
705 Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
706 Cc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1 |r|
707 Cc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc1 |r|
708 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
709 CCc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
710 CCCc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
711 CCc1cccc(CC)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
712 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
713 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C |r|
714 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
715 CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
716 Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r|
717 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1Cl |r|
718 CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1ccccc1C |r|
719 CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NC(C)(C)C |r|
720 CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)(Cc2ccccc2)C1=O |r,c:5,24|
721 CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)(Cc2ccccc2)C1=O |r,c:5,24|
722 ONC(=O)C=Cc1ccc2N(CCC3=CCCC=N3)CNc2c1 |w:5.5,c:17,t:13|
723 [H][C@](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)(Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 |r|
724 [H][C@](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)(Cc1ccccc1)C(=O)NC1[C@H](O)Cc2ccccc12 |r|
725 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@H](O)Cc3ccccc23)C1=O |r,c:29|
726 O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2[C@H](O)Cc3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12|
727 NC(=O)O[C@@H]1Cc2ccccc2C1C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CCOC2)(Cc2ccccc2)C1=O |r,c:16|
728 O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2CNC(=O)c3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12|
729 CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
730 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccncc1 |r|
731 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1)OCc1ccncc1 |r|
732 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCc1ccncc1 |r|
733 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CSc1ccccc1)OCc1ccncc1 |r|
734 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1)OCc1ccncc1 |r|
735 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccccc1)OCc1ccncc1 |r|
736 Cc1ccccc1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
737 Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
738 Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
739 Cc1cccc(C)c1COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
740 Cc1cccc(C)c1CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
741 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
742 CC(Oc1c(C)cccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r,w:1.0|
743 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)OCc1ccncc1 |r|
744 CC(C)(C)NC(=O)[C@@H]1C[C@@H](CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)OCc1ccncc1 |r|
745 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)SCc1ccncc1 |r|
746 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)SCc1cccnc1 |r|
747 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H](C[C@H]1C(=O)NC(C)(C)C)Sc1ccncc1 |r|
748 Cc1cc(S[C@@H]2CCN(C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)COc3c(C)cccc3C)[C@@H](C2)C(=O)NC(C)(C)C)nc(C)n1 |r|
749 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
750 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
751 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
752 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
753 CC(C)C[C@H](NC(=O)[C@H](C\C=C\c1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
754 CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCc1ccccc1 |r|
755 CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
756 CC(C)CC(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
757 CC(C)CCNC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 |r|
758 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r|
759 CCC(C)C(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
760 CCC(C)C(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO |r|
761 CCC(C)C(NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1nc2ccccc2[nH]1 |r|
762 CCC(C)C(NC(=O)[C@H](C\C=C\c1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
763 Oc1c2CCCCCCc2oc(=O)c1[C@@H](C1CC1)c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
764 Cc1ccccc1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
765 Cc1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
766 Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
767 Oc1c2CCCCCCc2oc(=O)c1[C@@H](C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
768 CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
769 CCC(c1ccccc1)c1c(O)cc(CCc2ccccc2)oc1=O
770 CCC(Cc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
771 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1ccccc1
772 NC(=[NH2+])c1ccccc1
773 Cc1ccc(cc1)C(N)=[NH2+]
774 CCc1ccc(cc1)C(N)=[NH2+]
775 CCCc1ccc(cc1)C(N)=[NH2+]
776 CC(C)c1ccc(cc1)C(N)=[NH2+]
777 CCCCc1ccc(cc1)C(N)=[NH2+]
778 CCCCCc1ccc(cc1)C(N)=[NH2+]
779 CCCCCCc1ccc(cc1)C(N)=[NH2+]
780 CN(CC1CCCN(CCc2ccc(Cl)cc2)C1)C(=O)c1cc2ncccn2n1
781 CC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
782 CCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
783 CCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
784 CC(C)C(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
785 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)N1CCCC1)-c1ccc(Cl)cc1
786 CCCCC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
787 CC(C)CC(c1ccccc1)c1c(O)c2CCCCCCc2oc1=O
788 Oc1c2CCCCCCc2oc(=O)c1C(c1ccccc1)c1ccccc1
789 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)C1CC1
790 Oc1c(Cc2ccccc2)c(=O)oc2CCCCCCc12
791 Oc1c(CCc2ccccc2)c(=O)oc2CCCCCCc12
792 Oc1c(CCCc2ccccc2)c(=O)oc2CCCCCCc12
793 CC(C)(C)NC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12 |r|
794 CC(C)(C)NC(=O)C1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)COc1cccc2ccccc12 |r|
795 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1 |r|
796 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(NC(C)=O)cc1 |r|
797 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccc(N)cc1 |r|
798 CCCC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2 |r|
799 CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)OC(C)(C)C |r|
800 CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2)NC(C)=O |r|
801 CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2)NC(=O)[C@@H](N)CO |r|
802 CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C |r|
803 CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)CCCC |r|
804 CCCOC[C@@H]1NC(=O)[C@@H](N)CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(N)cc1)cc2 |r|
805 CCCOC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)OC(C)(C)C |r|
806 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
807 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
808 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
809 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
810 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
811 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
812 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
813 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
814 [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSCc1ccccc1)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
815 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(C)=O)C2)C(=O)NC(C)(C)C |r|
816 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(C)=O)C2)C(=O)NC(C)(C)C |r|
817 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r|
818 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r|
819 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r|
820 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(C)=O)C2)C(=O)NC(C)(C)C |r|
821 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r|
822 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r|
823 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r|
824 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)C2)C(=O)NC(C)(C)C |r|
825 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(=O)C(F)(F)F)C2)C(=O)NC(C)(C)C |r|
826 [H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r|
827 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(F)cc1)NS(C)(=O)=O)C(=O)NC(C)(C)C |r|
828 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O)C(=O)NC(C)(C)C |r|
829 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc2ccccc2c1)NS(C)(=O)=O)C(=O)NC(C)(C)C |r|
830 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O)C(=O)NC(C)(C)C |r|
831 CC1(C)Oc2ccc3ccc(=O)oc3c2C(CN=O)=C1Cl |c:20|
832 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 |r|
833 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc2C1 |r|
835 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc12 |r|
836 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1CCCc2ccccc12 |r|
837 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC1Cc2ccccc12 |r|
838 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@@H](O)Cc2ccccc12 |r|
839 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NC1CCCCC1)-c1ccc(Br)cc1
840 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](O)Cc2ccccc12 |r|
841 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@@H](Cc2ccccc12)C(N)=O |r|
842 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)[C@H](O)c2ccccc12 |r|
843 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)[C@H](N)c2ccccc12 |r|
844 CC(Sc1nnc(-c2ccc(C)cc2)n1C)C(=O)NCc1ccco1
845 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(Br)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(Br)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
846 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
847 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccc(c1)N(=O)=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccc(c1)N(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
848 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccsc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccsc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
849 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
850 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(CCc2ccccc2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(CCc2ccccc2)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
851 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1cccnc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1cccnc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
852 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccccn1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccccn1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
853 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1nccs1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1nccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
854 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(\C=C\C(=O)OC)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(\C=C\C(=O)OC)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
855 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
856 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCCCNC(=O)C(NC1=O)C(C)C)cc2 |r|
857 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r|
858 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r|
859 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2ccc(OCCOCCOCCOCCNC(=O)C(NC1=O)C(C)C)cc2 |r|
860 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
861 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
862 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
863 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
864 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCCCNC(=O)C(NC1=O)C(C)C)c2 |r|
865 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCNC(=O)C(NC1=O)C(C)C)c2 |r|
866 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H]1NCc2cccc(OCCOCCOCCNC(=O)C(NC1=O)C(C)C)c2 |r|
867 CC(C)C1NC(=O)[C@H](NCc2cccc(OCCCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
868 CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
869 CC(C)C1NC(=O)[C@H](NCc2cccc(OCCOCCOCCNC1=O)c2)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
870 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C |r|
871 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CSc1nncn1C)C(C)(C)C |r|
872 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
873 CC(C)C1NC(=O)[C@H](NCc2ccc(OCCOCCOCCNC1=O)cc2)C(O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
874 COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)NC(C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
875 COc1ccc(CN[C@H](C(O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2C(O)Cc3ccccc23)cc1 |r|
876 CCC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(c1)S(=O)(=O)N1CCOCC1
877 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
878 Cn1c(SCC(=O)N(Cc2ccco2)Cc2ccccc2)nnc1-c1ccc(F)cc1
879 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
880 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
881 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
882 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
883 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
884 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
885 CN(C)CCOc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
886 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
887 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
888 CN1CCN(CCOc2ccc(C[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)cc2)CC1 |r|
889 COCCN(CCOC)CCOc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
890 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCSCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
891 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCS(=O)CC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
892 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCN2CCS(=O)(=O)CC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
893 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC[N+]2(O)CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
894 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC(O)=O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
895 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
896 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
897 [#6]-[#8]-[#6](=O)[C@@]([#6]-c1ccccc1)([#7]-[#6](=O)-[#8]C([#6])([#6])[#6])[#6]-1-[#6]=[#7][C@@]([#6](-[#6])-[#6])([#6]-2-[#6]=[#7][C@@]([#6]-[#6](-[#6])-[#6])([#6]-3-[#6]=[#7][C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6](-[#6])-[#6])[#6]-3=O)[#6]-2=O)[#6]-1=O |r,c:22,29,37|
898 CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)C1C=N[C@@](CC(C)C)(C2C=N[C@](CC(=O)N3CCOCC3)(Cc3ccccc3)C2=O)C1=O |r,c:18,26|
899 CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)C1C=N[C@](CC(=O)N2CCOCC2)(Cc2ccccc2)C1=O |r,c:26|
900 CN(CC(=O)Nc1ccccc1Cl)CC(=O)c1[nH]c(C)c(C(C)=O)c1C
901 Clc1ccc(N2CCOCC2)c(NC(=O)CCN2CCSC2=O)c1
902 CC(C)C[C@]1(N=CC([C@@H](Cc2ccccc2)C(N)=O)C1=O)C1C=N[C@](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)(Cc2ccccc2)C1=O |r,c:5,24|
903 COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C |r|
904 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1ccccc1)c1ccccc1 |r|
905 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1 |r|
906 C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1 |r|
907 NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1 |r|
908 NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1cc2ccccc2[nH]1)c1cccc(c1)C(F)(F)F |r|
909 Cc1cccc(c1)C(NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)c1cc2ccccc2[nH]1 |r|
910 NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(C1CCCCC1)c1cc2ccccc2[nH]1 |r|
911 NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1 |r|
912 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
913 NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC(c1cc2ccccc2[nH]1)c1ccccc1 |r|
914 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
915 CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)CNC[C@@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C |r|
916 CN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)c1[nH]c(C)c(C(C)=O)c1C
917 CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
918 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C |r|
919 O[C@H](CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
920 CC(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)C |r|
921 CC(C)(C)COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCC(C)(C)C |r|
922 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)SC(C)(C)C |r|
923 CC(C)(C)NC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
924 CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
925 CN([C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C |r|
926 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
927 CC(C)[C@H](NC(=O)[C@H](SCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
928 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
929 CC(C)[C@H](NC(=O)[C@H](NCCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
930 CCCCN[C@H]([C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
931 CC(C)[C@H](NC(=O)[C@H](NC1CCCCC1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
932 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccc2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
933 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](Nc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
934 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCCc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
935 CC(C)[C@H](NC(=O)[C@H](NCCc1ccccn1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
936 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccc2)cc1 |r|
937 CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
938 CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Br)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
939 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
940 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
941 CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
942 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1ccccc1 |r|
943 CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
944 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
945 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 |r|
946 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
947 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
948 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
949 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
950 CC(C)C[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
951 CCC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1ccccc1 |r|
952 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)(C)C |r|
953 CC(C)[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
954 CC(C)[C@H](NC(=O)OCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
955 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccc1 |r|
956 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CCc1nc2ccccc2[nH]1)C(C)C)C(=O)NCc1ccccc1 |r|
957 CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1nc2ccccc2[nH]1)C(C)C)C(=O)NCc1ccccc1 |r|
958 CCOC(=O)[C@@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C |r|
959 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C |r|
960 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccn1 |r|
961 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
962 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)OCc1nc2ccccc2[nH]1 |r|
963 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCCc1c[nH]c2ccccc12 |r|
964 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
965 CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
966 CC(C)[C@H](NC(=O)[C@H](NCc1ccc(Cl)cc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1 |r|
967 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
968 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(O)cc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
969 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@](C)(O)c2ccccc2)C(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
970 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(=O)NCc1ccccc1)C(C)(C)C |r|
971 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccccc1 |r|
972 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
973 Oc1c(CCCOc2ccccc2)c(=O)oc2ccccc12
974 Oc1c(CCCCc2ccccc2)c(=O)oc2ccccc12
975 Oc1c(CCCSc2ccccc2)c(=O)oc2ccccc12
976 Oc1c(CCCN(c2ccccc2)c2ccc(F)cc2)c(=O)oc2ccccc12
977 Oc1c(CCCN(Cc2ccccc2)c2ccccc2)c(=O)oc2ccccc12
978 Oc1c(CCOCc2ccccc2)c(=O)oc2ccccc12
979 COc1ccc(CCCCc2c(O)c3ccccc3oc2=O)cc1
980 COc1ccccc1CCCCc1c(O)c2ccccc2oc1=O
981 Oc1c(CCOc2ccccc2)c(=O)oc2ccccc12
982 Oc1c(CCCCOc2ccccc2)c(=O)oc2ccccc12
983 Oc1c(CCCOCc2ccccc2)c(=O)oc2ccccc12
984 COc1ccccc1OCCCc1c(O)c2ccccc2oc1=O
985 Oc1c(CCCOc2cccc(c2)[N+]([O-])=O)c(=O)oc2ccccc12
986 Nc1cccc(OCCCc2c(O)c3ccccc3oc2=O)c1
987 CCOC(=O)c1cccc(OCCCc2c(O)c3ccccc3oc2=O)c1
988 OC(=O)c1cccc(OCCCc2c(O)c3ccccc3oc2=O)c1
989 OCc1cccc(OCCCc2c(O)c3ccccc3oc2=O)c1
990 Oc1c(CCCOc2cccc(Cl)c2)c(=O)oc2ccccc12
991 Oc1c(CCCOc2cccc(c2)C#N)c(=O)oc2ccccc12
992 NC(=O)c1cccc(OCCCc2c(O)c3ccccc3oc2=O)c1
993 COc1ccccc1CCCCc1c(O)c2ccc(O)cc2oc1=O
994 COc1ccccc1CCCCc1c(O)c2ccc(OCc3ccccc3)cc2oc1=O
995 COc1ccc2c(O)c(CCCCc3ccccc3OC)c(=O)oc2c1
996 Oc1c(CCCOC2CCCCC2)c(=O)oc2ccccc12
997 OCCCc1c(O)c2ccccc2oc1=O
998 Oc1c(CCC(=O)c2ccccc2)c(=O)oc2ccccc12
999 O\N=C(\CCc1c(O)c2ccccc2oc1=O)c1ccccc1
1000 Oc1c(SCCOc2ccccc2)c(=O)oc2ccccc12
1001 Oc1c(CCCOc2ccccc2)c(=O)[nH]c2ccccc12
1002 CCCC1(CCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
1003 CCCCCC1(CCCCC)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
1004 CCC(C1C(=O)CC(CC(C)C)(CC(C)C)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
1005 CCC(C1C(=O)CC(CCC2CC2)(CCC2CC2)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
1006 CCC(C1C(=O)CC2(OC1=O)C1CC3CC(C1)CC2C3)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1 |TLB:16:15:19:7.12.11,16:11:19:14.15.17,THB:7:11:14:19.17.18,7:18:14:12.16.11,8:7:19:14.15.17,(19.13,-3.15,;17.7,-3.84,;17.7,-5.27,;16.34,-5.92,;15.01,-5.15,;15,-3.75,;13.67,-5.92,;13.67,-7.46,;15.01,-8.23,;16.34,-7.46,;17.61,-8.2,;12.3,-6.76,;11.46,-8.24,;11.46,-9.63,;10.09,-10.33,;10.93,-8.86,;10.93,-7.46,;12.3,-9.55,;13.67,-8.86,;12.83,-10.33,;19.04,-5.95,;20.37,-5.18,;21.7,-5.95,;21.7,-7.49,;20.37,-8.26,;20.37,-9.52,;21.52,-10.68,;20.23,-11.41,;22.53,-11.67,;23.11,-10.68,;24.02,-9.43,;25.48,-9.91,;26.78,-9.31,;25.48,-11.45,;24.02,-11.92,;19.04,-7.49,)|
1007 CCCC1(CCc2ccc(F)cc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
1008 CCC(C1C(=O)CC(CCc2ccccc2)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
1009 CCC(C1C(=O)CC(COCCOCCOC)(COCCOCCOC)OC1=O)c1cccc(NS(=O)(=O)c2cn(C)cn2)c1
1010 CCCC1(CCc2ccccc2)CC(=O)C(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
1011 CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(C)(C)C)C(=O)O1
1012 CCCC1(CCc2ccccc2)CC(=O)C(Cc2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
1013 CCCC1(CCC)CC(=O)C(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(=O)O1
1014 CCCC1(CCC)CC(=O)C(C(c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C(C)(C)C)C(=O)O1
1015 ONC(=O)\C=C\c1ccc2N(CCN3CCOCC3)C(CCc3ccccc3)Nc2c1
1016 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)CCC)c2)C(=O)O1
1017 Cc1ccc(N2C(=O)N(CC(=O)c3ccc[nH]3)C(=O)C2=O)c(C)c1
1018 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1
1019 CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)C(C)(C)C)C(=O)O1
1020 CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(C)(C)C)C(=O)O1
1021 CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(cn3)[N+]([O-])=O)c2)C(C)(C)C)C(=O)O1
1022 CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(C)(C)C)C(=O)O1
1023 CCCC1(CCc2ccccc2)CC(=O)C(C(c2cccc(NS(=O)(=O)c3ccc(N)cn3)c2)C(C)(C)C)C(=O)O1
1024 CS(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
1025 CN(Cc1ccc(C)o1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C
1026 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
1027 CC(C)C[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
1028 CC(C)C[C@H](NC(=O)[C@H](CCCc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
1029 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
1030 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1031 [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12 |r|
1032 [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccc(O)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12 |r|
1033 [H][C@@]1(NC(=O)[C@H](C\C=C\c2ccc(CCN3CCOCC3)cc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](O)Cc2ccccc12 |r|
1034 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(F)cc2)[C@H](O)Cc2ccccc12 |r|
1035 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(I)cc2)[C@H](O)Cc2ccccc12 |r|
1036 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)[N+]([O-])=O)[C@H](O)Cc2ccccc12 |r|
1037 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(N)cc2)[C@H](O)Cc2ccccc12 |r|
1038 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(C)cc2)[C@H](O)Cc2ccccc12 |r|
1039 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)C(C)(C)C)[C@H](O)Cc2ccccc12 |r|
1040 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)C(F)(F)F)[C@H](O)Cc2ccccc12 |r|
1041 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2c(F)c(F)c(F)c(F)c2F)[C@H](O)Cc2ccccc12 |r|
1042 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(SC)cc2)[C@H](O)Cc2ccccc12 |r|
1043 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)S(C)=O)[C@H](O)Cc2ccccc12 |r|
1044 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(cc2)S(C)(=O)=O)[C@H](O)Cc2ccccc12 |r|
1045 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2cccc(O)c2)[C@H](O)Cc2ccccc12 |r|
1046 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(O)cc2)[C@H](O)Cc2ccccc12 |r|
1047 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CO)cc2)[C@H](O)Cc2ccccc12 |r|
1048 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCO)cc2)[C@H](O)Cc2ccccc12 |r|
1049 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCOCOCCOC)cc2)[C@H](O)Cc2ccccc12 |r|
1050 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCCO)cc2)[C@H](O)Cc2ccccc12 |r|
1051 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCCOCOCCOC)cc2)[C@H](O)Cc2ccccc12 |r|
1052 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCCN3CCOCC3)cc2)[C@H](O)Cc2ccccc12 |r|
1053 [H][C@@]1(NC(=O)[C@@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc2ccc(CCC(OC)OC)cc2)[C@H](O)Cc2ccccc12 |r|
1054 O=C1N(CNc2ccc[nH]c2=O)C(=O)c2ccccc12
1055 Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]1
1056 Cc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1057 CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1058 CCCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1059 CCCCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1060 CCc1[nH]c(=O)c(NCN2C(=O)c3ccccc3C2=O)cc1C
1061 O=C1N(CNc2cc3CCCCc3[nH]c2=O)C(=O)c2ccccc12
1062 CCc1cc(NCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1063 CCc1cc(NCCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1064 O=C1N(CCc2ccc[nH]c2=O)C(=O)c2ccccc12
1065 CCc1cc(CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1066 CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1067 CCc1cc(CCCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1068 CCc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1069 CCc1cc(C(O)CN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C |w:5.5|
1070 CCc1cc(\C=C\N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C
1071 CCc1cc(CN2C(=O)c3ccccc3C2=O)c(OC)nc1C
1072 CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(OC)nc1C
1073 CCc1cc(CCCN2C(=O)c3ccccc3C2=O)c(OC)nc1C
1074 CCc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C
1075 CCc1cc(C(O)CN2C(=O)c3ccccc3C2=O)c(OC)nc1C |w:5.5|
1076 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r|
1077 OCc1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r|
1078 COC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)OC)C2=O)c1 |r|
1079 OCc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r|
1080 NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
1081 ONC(=N)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
1082 O[C@H]1[C@H](CCc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@H]1Cc1ccccc1 |r|
1083 COC(=O)c1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)OC)C2=O)c1 |r|
1084 NC(=O)c1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
1085 ONC(=N)c1cccc(CN2[C@@H](CCc3ccccc3)[C@H](O)[C@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
1086 O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccccc1 |r|
1087 O[C@@H]1[C@@H](CCc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 |r|
1088 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
1089 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r|
1090 Nc1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(N)c3)C2=O)ccc1F |r|
1091 Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 |r|
1092 CNc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(NC)c3)C2=O)c1 |r|
1093 NC(=O)c1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(c3)C(N)=O)C2=O)ccc1F |r|
1094 Nc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(N)c(F)c3)C2=O)cc1F |r|
1095 OCc1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r|
1096 COC(=O)c1ccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(cc3)C(=O)OC)C2=O)cc1 |r|
1097 CC(C)CN1C(CCc2ccccc2)Nc2cc(\C=C\C(=O)NO)ccc12
1098 O[C@@H]1[C@@H](CCc2ccc(F)cc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccc(F)cc1 |r|
1099 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccc(F)c(c2)C#N)[C@@H]1Cc1ccccc1 |r|
1100 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C(O)=O)C(=O)N(Cc2cccc(c2)C(O)=O)[C@@H]1Cc1ccccc1 |r|
1101 NC(=O)c1cccc(CN2[C@H](CCc3ccc(F)cc3)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
1102 NC(=O)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 |r|
1103 CCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
1104 ONC(=N)c1cccc(CN2[C@H](CCc3ccc(F)cc3)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
1105 ONC(=N)c1cccc(CN2[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
1106 ONC(=N)c1cc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(F)c(c3)C(=N)NO)C2=O)ccc1F |r|
1107 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1 |r|
1108 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3cn[nH]c3c2)C(=O)N(Cc2ccc3cn[nH]c3c2)[C@@H]1Cc1ccccc1 |r|
1109 Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(C)c5c4)C3=O)cc12 |r|
1110 Nc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(N)c5c4)C3=O)cc12 |r|
1111 Nc1noc2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5onc(N)c5c4)C3=O)cc12 |r|
1112 Cc1ccc(NC(=O)c2cccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(c4)C(=O)Nc4ccc(C)cn4)C3=O)c2)nc1 |r|
1113 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nccs2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nccs2)[C@@H]1Cc1ccccc1 |r|
1114 O[C@H]1[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1[C@@H](F)Cc1ccccc1 |r|
1116 O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
1117 O[C@@H](Cc1ccccc1)[C@H]1NC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@@H]1O |r|
1118 O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1\C=C\c1ccccc1 |r|
1119 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1 |r|
1120 O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1[C@H](Cc1ccccc1)N=[N+]=[N-] |r|
1121 O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1[C@@H](F)Cc1ccccc1 |r|
1122 O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1[C@@H](Br)Cc1ccccc1 |r|
1123 CNc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H]([C@@H](Br)Cc3ccccc3)N(Cc3cccc(NC)c3)C2=O)c1 |r|
1124 OCc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H]([C@@H](Br)Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r|
1125 O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r|
1126 O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccc(F)c(c2)C#N)[C@@H]1Cc1ccccc1 |r|
1127 O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r|
1128 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)c1 |r|
1129 NC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)c1 |r|
1130 NC(=O)c1cc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)ccc1F |r|
1131 ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)c1 |r|
1132 ONC(=N)c1cc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)NC2=O)ccc1F |r|
1133 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](CCc4ccccc4)NC3=O)cc12 |r|
1134 O[C@@H](Cc1ccccc1)[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N1CC1CC1 |r|
1135 O[C@H]1[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1[C@@H](Br)Cc1ccccc1 |r|
1136 O[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1 |r|
1137 O[C@H]1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1CCc1ccccc1 |r|
1138 Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)NC2=O)c1 |r|
1139 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc(F)c(c2)C#N)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
1140 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccc(F)c(c2)C#N)[C@@H]1Cc1ccccc1 |r|
1141 ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(CC3CC3)C2=O)c1 |r|
1142 Nc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccccc4)C3=O)cc12 |r|
1143 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](CCc4ccccc4)N(Cc4ccccc4)C3=O)cc12 |r|
1144 Nc1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r|
1145 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 |r|
1146 Cc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r|
1147 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(Cc3cccc(c3)C#N)C2=O)c1 |r|
1148 Nc1n[nH]c2ccc(CN3[C@H](CCc4ccccc4)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4cccc(N)c4)C3=O)cc12 |r|
1149 NC(=O)c1cccc(CN2[C@H](CCc3ccccc3)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 |r|
1150 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](CCc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 |r|
1151 [H][C@]12C(Cc3ccccc3)N1C(=O)N[C@H](Cc1ccccc1)[C@@H]2O |r|
1152 [H][C@]12C(Cc3ccccc3)N1C(=O)N(Cc1cccc(c1)C#N)[C@H](Cc1ccccc1)[C@@H]2O |r|
1153 [H][C@]12C(Cc3ccccc3)N1C(=O)N(Cc1cccc(c1)C(N)=O)[C@H](Cc1ccccc1)[C@@H]2O |r|
1154 [H][C@]12C(Cc3ccccc3)N1C(=O)N(Cc1cccc(c1)C(=N)NO)[C@H](Cc1ccccc1)[C@@H]2O |r|
1155 [H][C@]12C(Cc3ccccc3)N1C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)[C@@H]2O |r|
1156 CCOc1ccccc1N1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)C1=O
1157 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r|
1158 O[C@H]1[C@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1COc1ccccc1 |r|
1159 O[C@@H]1[C@@H](O)[C@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1COc1ccccc1 |r|
1160 O[C@H]1[C@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r|
1161 O[C@@H]1[C@@H](O)[C@@H](CCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CCc1ccccc1 |r|
1162 O[C@@H]1[C@@H](O)[C@@H](CCCc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CCCc1ccccc1 |r|
1163 O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r|
1164 O[C@@H]1[C@@H](O)[C@@H](CCc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1CCc1ccccc1 |r|
1165 COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(cc3)C(=O)OC)C2=O)cc1 |r|
1166 OCc1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r|
1167 COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)c(=O)oc2c1
1168 COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4ccc(cc4)C#N)c3)c(=O)oc2c1
1169 COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4cccc5cccnc45)c3)c(=O)oc2c1
1170 COc1ccc2c(O)c(C(C3CC3)c3cccc(NS(=O)(=O)c4cn(C)cn4)c3)c(=O)oc2c1
1171 Cc1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1172 CCCc1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1173 Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(CCc2ccccc2)oc1=O
1174 COCCOCCCc1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1175 CCC(CC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1176 Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC1CC1)CC1CC1
1177 COCCOCCC(CCOCCOC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1178 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1179 CCC(CC1CCOCC1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1180 CCC(CCOCCOC)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)c(=O)o1
1181 Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(CC1CC1)CC1CC1
1182 Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)C(CC1CC1)CC1CC1
1183 Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)C(CC1CC1)CC1CC1
1184 Oc1cc(oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)C(CC1CC1)CC1CC1
1185 CCCS(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)cc(oc1=O)C(CC)Cc1ccccc1
1186 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccccc3)c2)c(=O)o1
1187 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c(=O)o1
1188 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(=O)o1
1189 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3ccc(cc3)C#N)c2)c(=O)o1
1190 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cccnc3)c2)c(=O)o1
1191 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NS(=O)(=O)c3cccc4cccnc34)c2)c(=O)o1
1192 Cn1cccc1\C=C(\C#N)C(=O)Nc1cc(Cl)ccc1N1CCOCC1
1193 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1194 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)NCc1ccccc1 |r|
1195 COc1cc2OC(C)(C)C=Cc2c2oc(=O)c3CCCc3c12 |c:9|
1196 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)NC(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc2)cc1 |r|
1197 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc2nc3ccccc3[nH]2)cc1 |r|
1198 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)NCc1ccccc1 |r|
1199 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)NCc1ccccc1 |r|
1200 CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1201 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1202 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1203 CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1204 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1205 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1206 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1207 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)OCc2ccccc2)C(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1208 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1209 CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OC)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1210 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(O)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1211 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)C(CC(N)=O)NC(=O)OCc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1212 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1213 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1214 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nnc(C)s2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1215 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CSc2nncn2C)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1216 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Nc2cccc(OC)c2OC)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1217 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N2Cc3ccccc3C=C2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r,c:36|
1218 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccccc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1219 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)\C=C\c2ccc(OC)cc2O)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1220 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)\C=C\c2ccc(OC)c(O)c2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1221 COc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCc2ccc(OC)c(O)c2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1222 CCOc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1223 CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCO)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1224 CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1225 CC(=O)NCc1ccc(CN[C@H]([C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
1226 CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)Nc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1227 CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)OCc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1228 CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
1229 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C |r|
1230 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C1CCCCC1C(=O)NC(C)(C)C |r|
1231 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C |r|
1232 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](CC(=O)NC(C)(C)C)C(C)(C)C |r|
1233 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@H](C(=O)NC(C)(C)C)C(C)(C)C |r|
1234 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)C[C@@H](C(=O)NC(C)(C)C)C(C)(C)C |r|
1235 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(=O)CCC(=O)NC(C)(C)C |r|
1236 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC(=O)[C@H](CC(=O)NC(C)(C)C)C(C)(C)C |r|
1237 CC(C)(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C |r|
1238 CC(C)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C |r|
1239 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C |r|
1240 CCCC(CCC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C |r|
1241 CC(C)(C)[C@@H](CC(=O)NC1CCCCC1)C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
1242 CC(C)C(NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(C)(C)C)C(C)C |r|
1243 CC(C)(C)[C@@H](CC(=O)Nc1ccccc1)C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
1244 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)(C)C |r|
1245 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(C)(C)C |r|
1246 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O)C(C)(C)C |r|
1247 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(C)(C)C |r|
1248 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)C)C(C)(C)C |r|
1249 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(C)(C)C |r|
1250 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1)C(C)(C)C |r|
1251 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)O)C(C)(C)C |r|
1252 CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)O)C(C)(C)C |r|
1253 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
1254 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
1255 C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
1256 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
1257 CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
1258 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(N)=O)c1ccccc1 |r|
1259 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
1260 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
1261 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
1262 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O |r|
1263 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(N)=O |r|
1264 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ncc[nH]1)C(N)=O |r|
1265 CC(C)C[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(N)=O |r|
1266 CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
1267 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
1268 CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
1269 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
1270 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)c1ccccc1 |r|
1271 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCc1ccccc1 |r|
1272 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NC(CO)Cc1ccccc1 |r|
1273 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r|
1274 CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r|
1275 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCO |r|
1276 CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO |r|
1277 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCC(O)CO |r|
1278 CC(C)C[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C |r|
1279 CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C |r|
1280 CC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)NCCCN(C)C |r|
1281 CN(C)CCCNC(=O)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)c1ccccc1 |r|
1282 CN1CC2=C(N=C1NCCCO)c1ccccc1CC21CCCCC1 |c:3,5|
1283 CCc1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C
1284 CCc1cc(NCc2cc3ccccc3o2)c(=O)[nH]c1C
1285 CCc1cc(NCc2nc3CCCCc3o2)c(=O)[nH]c1C
1286 CCc1cc(NCc2cnc3ccccc3c2)c(=O)[nH]c1C
1287 CCc1cc(NCc2nc3ccccc3s2)c(=O)[nH]c1C
1288 CCc1cc(NCc2ccc3ccccc3c2)c(=O)[nH]c1C
1289 CCc1cc(NCc2cc3ccccc3s2)c(=O)[nH]c1C
1290 CCc1cc(NCc2ccc3ccccc3n2)c(=O)[nH]c1C
1291 CCc1cc(NCc2coc3ccccc3c2=O)c(=O)[nH]c1C
1292 CCc1cc(NCc2nc3ncccc3o2)c(=O)[nH]c1C
1293 CCc1cc(NCc2cccc3ccccc23)c(=O)[nH]c1C
1294 CCc1cc(NCc2ncc(o2)-c2ccccc2)c(=O)[nH]c1C
1295 CCc1cc(NCc2nc3ccccc3c(=O)[nH]2)c(=O)[nH]c1C
1296 CCc1cc(NCc2nc3c(ccc4ccccc34)o2)c(=O)[nH]c1C
1297 CCc1cc(NCc2cc3ccccc3[nH]2)c(=O)[nH]c1C
1298 CCc1cc(NCc2ccccc2)c(=O)[nH]c1C
1299 CCc1cc(NCc2nc3ccccc3[nH]2)c(=O)[nH]c1C
1300 CCc1cc(NCC2CCCc3ccccc23)c(=O)[nH]c1C
1301 CCc1cc(NCc2nc3cc4ccccc4cc3o2)c(=O)[nH]c1C
1302 CCc1cc(NCc2ccccn2)c(=O)[nH]c1C
1303 CCc1cc(NCc2c[nH]c3ccccc23)c(=O)[nH]c1C
1304 CCc1cc(NCc2ccco2)c(=O)[nH]c1C
1305 CCc1cc(NCc2cc3cnccc3o2)c(=O)[nH]c1C
1306 CCc1cc(NCc2cc3ccncc3o2)c(=O)[nH]c1C
1307 CCc1cc(NCc2ccoc2)c(=O)[nH]c1C
1308 CCc1cc(NCc2cccnc2)c(=O)[nH]c1C
1309 CCc1cc(NCc2nc3c(C)cccc3o2)c(=O)[nH]c1C
1310 CCc1cc(NCc2nc3cc(C)ccc3o2)c(=O)[nH]c1C
1311 CCc1cc(NCc2nc3ccc(C)cc3o2)c(=O)[nH]c1C
1312 CCc1cc(NCc2nc3cccc(C)c3o2)c(=O)[nH]c1C
1313 CCc1cc(NCc2nc3cccc(CC)c3o2)c(=O)[nH]c1C
1314 CCc1cc(NCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C
1315 CCc1cc(NCc2nc3c(Cl)cccc3o2)c(=O)[nH]c1C
1316 CCc1cc(NCc2nc3cccc(Cl)c3o2)c(=O)[nH]c1C
1317 CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1318 CCc1cc(NCc2nc3c(F)cccc3o2)c(=O)[nH]c1C
1319 CCc1cc(NCc2nc3cc(F)ccc3o2)c(=O)[nH]c1C
1320 CCc1cc(NCc2nc3ccc(F)cc3o2)c(=O)[nH]c1C
1321 CCc1cc(NCc2nc3cccc(F)c3o2)c(=O)[nH]c1C
1322 CCc1cc(NCc2nc3c(F)ccc(Cl)c3o2)c(=O)[nH]c1C
1323 CCc1cc(NCc2nc3c(F)ccc(F)c3o2)c(=O)[nH]c1C
1324 CCc1cc(NCc2nc3c(OC)cccc3o2)c(=O)[nH]c1C
1325 CCc1cc(NCc2nc3c(O)cccc3o2)c(=O)[nH]c1C
1326 CCc1cc(NCc2nc3c(cccc3o2)[N+]([O-])=O)c(=O)[nH]c1C
1327 CCc1cc(NCc2nc3c(N)cccc3o2)c(=O)[nH]c1C
1328 CCc1cc(NCc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1329 CCc1cc(NCc2cc3cccc(Cl)c3o2)c(=O)[nH]c1C
1330 CCc1cc(NCc2oc3ccccc3c2C)c(=O)[nH]c1C
1331 CCc1cc(N(C)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1332 CCN(Cc1nc2c(Cl)ccc(Cl)c2o1)c1cc(CC)c(C)[nH]c1=O
1333 CCc1cc(N(C)Cc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C
1334 CCc1cc(NC(C)c2cc3ccccc3o2)c(=O)[nH]c1C
1335 CCc1cc(N(C)Cc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1336 CCc1cc(NC(C)c2ccc3ccccc3c2)c(=O)[nH]c1C
1337 Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)cc1C=C
1338 CSc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1339 CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=S)[nH]c1C
1340 Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c2Cc12
1341 COc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1342 CC(=O)c1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1343 CC(O)c1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
1344 Cc1cc(C)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]1
1345 CSc1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C
1346 CCSc1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C
1347 CCc1c(C)[nH]c(=O)c(NCc2nc3ccccc3o2)c1C
1348 Cc1[nH]c(=O)c(NCc2nc3ccccc3o2)cc1S(C)(=O)=O
1349 CCOC(=O)c1cc(NCc2nc3ccccc3o2)c(=O)[nH]c1C
1350 Cc1[nH]c(=O)c(NCc2nc3ccccc3o2)cc1S(C)=O
1351 CCc1cc(NCc2ccc3ccccc3c2)c(=S)[nH]c1C
1352 CCc1cc(NCc2ccc3ccccc3c2)c(=O)n(C)c1C
1353 O=c1[nH]c2ccccc2cc1NCc1ccc2ccccc2c1
1354 O=C1N2CCSC2(c2ccccc12)c1ccccc1
1355 O=C1N2CCS[C@@]2(c2ccccc12)c1ccccc1 |r|
1356 O=C1N2CCS[C@]2(c2ccccc12)c1ccccc1 |r|
1357 S=C1N2CCSC2(c2ccccc12)c1ccccc1
1358 O=C1N2CCSC2(c2cccs2)c2ccccc12
1359 O=C1N2CCSC2(c2ccco2)c2ccccc12
1360 O=C1N2CCSC2(c2ccc[nH]2)c2ccccc12
1361 O=C1N2CCSC2(c2ccccc12)c1cccc2ccccc12
1362 O=C1N2CCSC2(c2ccccc12)c1c2ccccc2cc2ccccc12
1363 Clc1ccc(cc1)C12SCCN1C(=O)c1ccccc21
1364 Cc1ccc(cc1)C12SCCN1C(=O)c1ccccc21
1365 CC(C)c1ccc(cc1)C12SCCN1C(=O)c1ccccc21
1366 COc1ccc(cc1)C12SCCN1C(=O)c1ccccc21
1367 Clc1cccc(c1)C12SCCN1C(=O)c1ccccc21
1368 Cc1cccc(c1)C12SCCN1C(=O)c1ccccc21
1369 Cc1cccc(c1)[C@]12SCCN1C(=O)c1ccccc21 |r|
1370 COc1cccc(c1)C12SCCN1C(=O)c1ccccc21
1371 CCc1cccc(c1)C12SCCN1C(=O)c1ccccc21
1372 CC(C)c1cccc(c1)C12SCCN1C(=O)c1ccccc21
1373 FC(F)(F)c1cccc(c1)C12SCCN1C(=O)c1ccccc21
1374 Oc1cccc(c1)C12SCCN1C(=O)c1ccccc21
1375 Nc1cccc(c1)C12SCCN1C(=O)c1ccccc21
1376 [O-][N+](=O)c1cccc(c1)C12SCCN1C(=O)c1ccccc21
1377 O=C1N2CCSC2(c2ccccc12)c1cccc(c1)C#N
1378 Cc1ccccc1C12SCCN1C(=O)c1ccccc21
1379 Cc1cccc(c1C)C12SCCN1C(=O)c1ccccc21
1380 Cc1ccc(C)c(c1)C12SCCN1C(=O)c1ccccc21
1381 Cc1ccc(cc1C)C12SCCN1C(=O)c1ccccc21
1382 Cc1cc(C)cc(c1)C12SCCN1C(=O)c1ccccc21
1383 O=C1N2CCS[C@@]2(c2ccccc12)c1cccc2ccccc12 |r|
1384 Cc1cc(C)cc(c1)[C@]12SCCN1C(=O)c1ccccc21 |r|
1385 O=C1N2CCSC2(c2ccccc12)c1cccc2CCCc12
1386 Clc1cc(Cl)cc(c1)C12SCCN1C(=O)c1ccccc21
1387 Clc1ccc(cc1Cl)C12SCCN1C(=O)c1ccccc21
1388 O=C1N2CCS(=O)C2(c2ccccc12)c1ccccc1
1389 O=C1N2CCS(=O)(=O)C2(c2ccccc12)c1ccccc1
1390 O=C1N2CCOC2(c2ccccc12)c1ccccc1
1391 O=C1N2CCNC2(c2ccccc12)c1ccccc1
1392 O=C1N2CCCC2(c2ccccc12)c1ccccc1
1393 O=C1N2CCCSC2(c2ccccc12)c1ccccc1
1394 O=C1N2CCCOC2(c2ccccc12)c1ccccc1
1395 O=C1N2CCCNC2(c2ccccc12)c1ccccc1
1396 O=C1N2CCCCC2(c2ccccc12)c1ccccc1
1397 C[C@@H]1CN2C(=O)c3ccccc3[C@]2(O1)c1ccccc1 |r|
1398 C[C@H]1CN2C(=O)c3ccccc3[C@]2(O1)c1ccccc1 |r|
1399 C[C@H]1COC2(N1C(=O)c1ccccc21)c1ccccc1 |r|
1400 C[C@@H]1COC2(N1C(=O)c1ccccc21)c1ccccc1 |r|
1401 COC(=O)[C@H]1CSC2(N1C(=O)c1ccccc21)c1ccccc1 |r|
1402 OC(=O)[C@H]1CSC2(N1C(=O)c1ccccc21)c1ccccc1 |r|
1403 NC(=O)[C@H]1CSC2(N1C(=O)c1ccccc21)c1ccccc1 |r|
1404 O=C1N2c3ccccc3SC2(c2ccccc12)c1ccccc1
1405 Cc1cccc2c1C(=O)N1CCSC21c1ccccc1
1406 Cc1ccc2c(c1)C(=O)N1CCSC21c1ccccc1
1407 Clc1ccc2c(c1)C(=O)N1CCSC21c1ccccc1
1408 COc1ccc2c(c1)C(=O)N1CCSC21c1ccccc1
1409 Clc1cc2C(=O)N3CCSC3(c2cc1Cl)c1ccccc1
1410 Cc1ccc2C(=O)N3CCSC3(c2c1)c1ccccc1
1411 Clc1ccc2C(=O)N3CCSC3(c2c1)c1ccccc1
1412 Clc1ccc2C(=O)N3CCS[C@@]3(c2c1)c1ccccc1 |r|
1413 COc1ccc2C(=O)N3CCSC3(c2c1)c1ccccc1
1414 FC(F)(F)c1ccc2C(=O)N3CCSC3(c2c1)c1ccccc1
1415 [O-][N+](=O)c1ccc2C(=O)N3CCSC3(c2c1)c1ccccc1
1416 Nc1ccc2C(=O)N3CCSC3(c2c1)c1ccccc1
1417 Clc1cccc2C(=O)N3CCSC3(c12)c1ccccc1
1418 O=C1N2CCSC2(c2ccc3ccccc3c12)c1ccccc1
1419 O=C1N2CCSC2(c2cc3ccccc3cc12)c1ccccc1
1420 O=C1N2CCSC2(c2c1ccc1ccccc21)c1ccccc1
1421 O=C1N2CCSC2(c2cccnc12)c1ccccc1
1422 O=C1N2CCSC2(c2ccncc12)c1ccccc1
1423 O=C1N2CCSC2(c2cnccc12)c1ccccc1
1424 O=C1N2CCSC2(c2ncccc12)c1ccccc1
1425 O=C1N2CCSC2(c2ccccc12)c1ccccn1
1426 O=C1N2CCSC2(c2ccccc12)c1cccnc1
1427 O=C1N2CCSC2(c2ccccc12)c1ccncc1
1428 Cc1cccc(n1)C12SCCN1C(=O)c1ccccc21
1429 Cc1ccnc(c1)C12SCCN1C(=O)c1ccccc21
1430 O=C1N2CCSC2(c2ncccc12)c1ccccn1
1431 Cc1cccc(n1)C12SCCN1C(=O)c1cccnc21
1432 Cc1ccnc(c1)C12SCCN1C(=O)c1cccnc21
1433 C[C@H]1Cn2c3c(CN1CC=C(C)C)cccc3[nH]c2=S |r,wD:1.0,(16.54,-10.87,;15.69,-9.78,;16.51,-8.45,;15.85,-7.02,;14.39,-6.55,;13.06,-7.32,;12.7,-8.76,;13.8,-9.86,;13.16,-11.23,;14.12,-12.51,;13.35,-13.93,;11.94,-14.42,;14.15,-15.25,;11.72,-6.55,;11.72,-5.01,;13.06,-4.24,;14.39,-5.01,;15.85,-4.53,;16.76,-5.78,;18.33,-5.78,)|
1434 Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1435 OC(=O)c1ccc(Cl)c2NC(C3CC=CC3c12)c1ccccc1F |c:13|
1436 CCc1c(Sc2ccccc2)n(COCCOCc2ccccc2)c(=O)[nH]c1=O
1437 CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
1438 CCn1c(CCNCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
1439 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)Cc2ccccc2)c1
1440 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)CCc2ccccc2)c1
1441 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)\C=C\c2ccccc2)c1
1442 CN1C(CCc2ccccc2)Nc2ccc(\C=C\C(=O)NO)cc12
1443 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2F)c1
1444 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1
1445 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
1446 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccccc2C#N)c1
1447 CCn1c(CCNC(=O)COc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
1448 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1
1449 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Br)c2)c1
1450 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1
1451 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1
1452 OC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1453 COC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1454 Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1455 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1
1456 OCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
1457 CCc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1458 CCCc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1459 CC(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1460 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1461 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
1462 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1
1463 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
1464 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(I)cc2)c1
1465 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1
1466 ONC(=O)\C=C\c1ccc2NCNc2c1
1467 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
1468 OC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1469 NC(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1470 COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1471 CCCCOc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1472 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
1473 Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1474 CN(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1475 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cc2)N=[N+]=[N-])c1
1476 Cc1cccc(C)c1S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1477 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
1478 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
1479 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
1480 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1
1481 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1
1482 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1
1483 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(c(c2)C(F)(F)F)C(F)(F)F)c1
1484 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
1485 COc1ccc(cc1OC)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1486 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)c1
1487 Cn1cnc(c1)S(=O)(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2CCCCCCc2oc1=O
1488 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
1489 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3n2)c1
1490 CN1C(CCNC(=O)Cc2ccccc2)Nc2cc(\C=C\C(=O)NO)ccc12
1491 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1
1492 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cnccn2)c1
1493 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ncccn2)c1
1494 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1
1495 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1
1496 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cccs2)c1
1497 Oc1c2CCCCCCc2oc(=O)c1C(C1CC1)c1cccc(NS(=O)(=O)c2cscn2)c1
1498 CCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1499 CCCC(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1500 CC(C)C(c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1501 CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
1502 CCCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
1503 CCCCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
1504 CC(C)C(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
1505 CC(C)CC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O
1506 CCCC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1507 CCCCC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1508 CC(C)C(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1509 CC(C)CC(c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2CCCCCCc2oc1=O
1510 CCCC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2CCCCCCc2oc1=O
1511 CC(C)C(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2CCCCCCc2oc1=O
1512 CC(C)CC(c1cccc(NS(=O)(=O)c2cn(C)cn2)c1)c1c(O)c2CCCCCCc2oc1=O
1513 CCCC(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2CCCCCCc2oc1=O
1514 CC(C)C(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2CCCCCCc2oc1=O
1515 CC(C)CC(c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2CCCCCCc2oc1=O
1516 Clc1c(nn2cccnc12)C(=O)NCc1ccc2OCOc2c1
1517 CCN1c2nccc(C)c2NC(=O)c2cccnc12
1518 CCN1c2ncccc2N(C)C(=O)c2cccnc12
1519 Cc1cc(C)c2NC(=O)c3cccnc3N(C3CC3)c2n1
1520 CCN1c2nc(C)cc(C)c2NC(=O)c2cccnc12
1521 CCN1c2nc(C)ccc2N(C)C(=O)c2cccnc12
1522 CCN1c2nc(CC)cc(C)c2NC(=O)c2cccnc12
1523 CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)C(C)C
1524 CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)C(C)(C)C
1525 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)C#C
1526 CCN1c2nc(F)cc(C)c2NC(=O)c2cccnc12
1527 Cc1cc(Cl)nc2N(C3CC3)c3ncccc3C(=O)Nc12
1528 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cccnc12
1529 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cccnc12
1530 CN1c2ccc(Cl)nc2N(C2CC2)c2ncccc2C1=O
1531 CN1c2ccc(Br)nc2N(C2CC2)c2ncccc2C1=O
1532 CCN1c2nc(N)ccc2N(C)C(=O)c2cccnc12
1533 CCN1c2nc(NC)ccc2N(C)C(=O)c2cccnc12
1534 CCNc1ccc2N(C)C(=O)c3cccnc3N(CC)c2n1
1535 CCC=Nc1ccc2N(C)C(=O)c3cccnc3N(CC)c2n1 |w:2.1|
1536 CCN1c2nc(NCCO)cc(C)c2NC(=O)c2cccnc12
1537 CCN1c2ncccc2C(=O)Nc2c(C)cc(NCCCO)nc12
1538 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N(C)C
1539 CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)N(C)CCO
1540 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCC1
1541 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)N1CCCCC1
1542 OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3|
1543 CCN1c2nc(cc(C)c2NC(=O)c2cccnc12)N1CCSCC1
1544 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-n1cccc1
1545 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-n1cccn1
1546 CCN1c2ncccc2C(=O)N(C)c2ccc(=O)[nH]c12
1547 CCN1c2nc(OC)ccc2N(C)C(=O)c2cccnc12
1548 COc1ccc2N(C)C(=O)c3cccnc3N(C3CC3)c2n1
1549 CCN1c2nc(SC)cc(C)c2NC(=O)c2cccnc12
1550 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccco1
1551 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccoc1
1552 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc[nH]1
1553 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]c1
1554 CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cc[nH]c1
1555 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccs1
1556 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccsc1
1557 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1nccs1
1558 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cncs1
1559 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ncco1
1560 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cnco1
1561 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cc[nH]n1
1562 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cn[nH]c1
1563 CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cn[nH]c1
1564 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccccc1
1565 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccccc1OC
1566 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(OC)c1
1567 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(O)c1
1568 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccc(N)c1
1569 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc(OC)cc1
1570 CCN1c2ncccc2C(=O)N(C)c2ccc(nc12)-c1ccc(O)cc1
1571 CCN1c2ncccc2C(=O)N(C)c2ccc(nc12)-c1ccc(N)cc1
1572 CCN1c2ncccc2C(=O)N(C)c2ccc(nc12)-c1ccccn1
1573 CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1cccnc1
1574 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1ccc(N)nc1
1575 CN1c2ccc(nc2N(C2CC2)c2ncccc2C1=O)-c1ccncc1
1576 ONC(=O)\C=C\c1ccc2n(C3CCN(Cc4ccccc4)CC3)c(CCc3ccccc3)nc2c1
1577 OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1578 CCOCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1579 C=CCOCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1580 O=C1Nc2c(COc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1581 O=C1Nc2c(COCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1582 O=C1Nc2c(COCCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1583 O=C1Nc2c(COCCCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1584 O=C1Nc2c(CNc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1585 O=C1Nc2c(CSc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1586 O=C1Nc2c(CSCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1587 O=C1Nc2c(CN3CCOCC3)ccnc2N(C2CC2)c2ncccc12
1588 O=C1Nc2c(CN3CCCC3)ccnc2N(C2CC2)c2ncccc12
1589 O=C1Nc2c(CN3CCCCC3)ccnc2N(C2CC2)c2ncccc12
1590 O=C1Nc2c(Cn3cccn3)ccnc2N(C2CC2)c2ncccc12
1591 O=C1Nc2c(CC3=CCNC3)ccnc2N(C2CC2)c2ncccc12 |t:6|
1592 O=C1Nc2c(Cn3ccnc3)ccnc2N(C2CC2)c2ncccc12
1593 Cc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1594 Cc1cccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)c1
1595 Cc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
1596 Oc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1597 Clc1ccccc1OCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1598 Nc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
1599 CCNc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
1600 COc1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
1601 O=C1Nc2c(COc3ccc(cc3)C#N)ccnc2N(C2CC2)c2ncccc12
1602 [O-][N+](=O)c1ccc(OCc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)cc1
1603 O=C1Nc2c(Cc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1604 Oc1ccccc1Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1605 COc1ccc(O)c(Cc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)c1
1606 Cc1ccc(Cc2ccnc3N(C4CC4)c4ncccc4C(=O)Nc23)c(O)c1
1607 C=Cc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1608 O=C1Nc2c(\C=C\c3ccccc3)ccnc2N(C2CC2)c2ncccc12
1609 CCOC(=O)\C=C/c1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1610 OC(=O)\C=C/c1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1611 O=C1Nc2c(CCc3ccccc3)ccnc2N(C2CC2)c2ncccc12
1612 CCOC(=O)CCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1613 OC(=O)CCc1ccnc2N(C3CC3)c3ncccc3C(=O)Nc12
1614 CCN1c2nc(OC)cc(Cc3ccccc3)c2NC(=O)c2cccnc12
1615 CCN1c2nc(OC)cc(COCc3ccccc3)c2NC(=O)c2cccnc12
1616 CCN1c2nc(OC)cc(C3OCCCO3)c2NC(=O)c2cccnc12
1617 CCN1c2nc(OC)cc(C=O)c2NC(=O)c2cccnc12
1618 CCN1c2nc(OC)cc(CO)c2NC(=O)c2cccnc12
1619 CCN1c2nc(OC)cc(COc3ccccc3)c2NC(=O)c2cccnc12
1620 CCN1c2ncccc2C(=O)Nc2c(Cc3ccccc3)cc(=O)[nH]c12
1621 CCN1c2ncccc2C(=O)Nc2c(COCc3ccccc3)cc(=O)[nH]c12
1622 CCN1c2ncccc2C(=O)Nc2c(cc(=O)[nH]c12)C1OCCCO1
1623 CCN1c2ncccc2C(=O)Nc2c(C=O)cc(=O)[nH]c12
1624 CCN1c2ncccc2C(=O)Nc2c(CO)cc(=O)[nH]c12
1625 CCN1c2ncccc2C(=O)Nc2c(COc3ccccc3)cc(=O)[nH]c12
1626 CCN1c2nc(cc(Cc3ccccc3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
1627 CCN1c2nc(cc(COCc3ccccc3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
1628 CCN1c2nc(cc(C3OCCCO3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
1629 CCN1c2nc(cc(C=O)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
1630 CCN1c2nc(cc(CO)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
1631 CCN1c2nc(cc(COc3ccccc3)c2NC(=O)c2cccnc12)-c1cccc(OC)c1
1632 CCN1c2ccccc2NC(=O)c2cccnc12
1633 CCN1c2ccccc2N(C)C(=O)c2cccnc12
1634 CCN1c2ccccc2N(CC)C(=O)c2cccnc12
1635 CCCN1c2ccccc2N(C)C(=O)c2cccnc12
1636 CC(C)N1c2ccccc2N(C)C(=O)c2cccnc12
1637 CN1c2ccccc2N(C#C)c2ncccc2C1=O
1638 CCN1c2cccc(C)c2N(C)C(=O)c2cccnc12
1639 CCN1c2cccc(C)c2NC(=O)c2cccnc12
1640 CCN1c2ccc(C)cc2N(C)C(=O)c2cccnc12
1641 CCN1c2cc(ccc2N(C)C(=O)c2cccnc12)C(F)(F)F
1642 CCN1c2cc(ccc2N(C)C(=O)c2cccnc12)[N+]([O-])=O
1643 CCn1c2cc(ccc2[n+](C)c(=O)c2cccnc12)=NN=[N-]
1644 CCN1c2cc(C)c(C)cc2N(C)C(=O)c2cccnc12
1645 CN1c2cc(C)c(C)cc2N(C(C)=O)c2ncccc2C1=O
1646 CCN1c2ccc(C)c(C)c2N(C)C(=O)c2cccnc12
1647 CCN1c2cc(Cl)c(Cl)cc2N(C)C(=O)c2cccnc12
1648 CCN1c2cc(cc(Cl)c2N(C)C(=O)c2cccnc12)C(F)(F)F
1649 CCN1c2cc(Cl)ccc2N(C)C(=O)c2cccnc12
1650 OCCCN1CNc2cc(\C=C\C(=O)NO)ccc12
1651 CCN1c2ncccc2NC(=O)c2cccnc12
1652 O=C1Nc2cccnc2N(C2CC2)c2ncccc12
1653 CCN1c2ccc(Cl)cc2N(C)C(=O)c2cccnc12
1654 CCN1c2cc(ccc2N(C)C(=O)c2cc(Br)cnc12)[N+]([O-])=O
1655 O=C1Nc2cccnc2N(C2CCC2)c2ncccc12
1656 CCCN1c2ncccc2N(C)C(=O)c2cccnc12
1657 CC(C)N1c2ncccc2NC(=O)c2cccnc12
1658 CN1c2cccnc2N(CC=C)c2ncccc2C1=O
1659 CCN1c2ncccc2N(C(C)=O)C(=O)c2cccnc12
1660 CSCN1c2ncccc2N(C)C(=O)c2cccnc12
1661 CC1Nc2cc(\C=C\C(=O)NO)ccc2N1C
1662 OCCCCCn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
1663 CCN1c2ncc(C)cc2N(C)C(=O)c2cccnc12
1664 CC1(O)CN(CCC11CCN(C1=O)c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccccc1Cl
1665 Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
1666 CCN1c2nccc(Cl)c2NC(=O)c2cccnc12
1667 CCN1c2nccc(CC)c2NC(=O)c2cccnc12
1668 CCN1c2nc(C)c(C)cc2NC(=O)c2cccnc12
1669 CCN1c2nc(C)c(C)cc2N(C)C(=O)c2cccnc12
1670 CCN1c2nc(N)c(Cl)cc2N(C)C(=O)c2cccnc12
1671 CCN1c2ccccc2C(=O)N(C)c2cccnc12
1672 CCN1c2ccccc2C(=O)N(CC)c2cccnc12
1673 CCN1c2ccc(C)cc2C(=O)N(C)c2cccnc12
1674 CCN1c2ncccc2N(CC)C(=O)c2cccc(C)c12
1675 O[C@H]1[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1[C@@H](F)Cc1ccccc1 |r|
1676 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
1677 O[C@H]1[C@H](O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 |r|
1678 O[C@H]1[C@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
1679 O[C@@H]1[C@@H](O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 |r|
1680 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 |r|
1681 O[C@H]1[C@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 |r|
1682 O[C@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
1683 O[C@H]1[C@@H](O)[C@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 |r|
1684 O[C@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@H]1Cc1ccccc1 |r|
1685 NC(=O)NC1=N[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1 |r,t:4|
1686 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]=[#6])\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]=[#6])-[#6@@H]-1-[#6]-c1ccccc1 |r|
1687 [#6]-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6])\[#6]-1=[#7]\C#N |r|
1688 [#6]-[#6]-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6]-[#6])\[#6]-1=[#7]\C#N |r|
1689 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])\[#6]-1=[#7]\C#N |r|
1690 [#6]-[#6](-[#6])-[#6]-[#6]-[#7]1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-[#6](-[#6])-[#6])\[#6]-1=[#7]\C#N |r|
1691 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1692 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1693 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1694 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)\[#6](=[#7]/C#N)-[#7](-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1695 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccccc2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccccc2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1696 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(c2)-[#7+](-[#8-])=O)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(c2)-[#7+](-[#8-])=O)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1697 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1698 [#7]-c1cccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3cccc(-[#7])c3)\[#6]-2=[#7]/C#N)c1 |r|
1699 [#7]-c1ccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3ccc(-[#7])cc3)\[#6]-2=[#7]\C#N)cc1 |r|
1700 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(c2)C#N)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(c2)C#N)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1701 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(cc2)C#N)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(cc2)C#N)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1702 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(-[#8])c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(-[#8])c2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1703 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(-[#8])cc2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(-[#8])cc2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1704 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2cccc(-[#8]-[#6]-c3ccccc3)c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2cccc(-[#8]-[#6]-c3ccccc3)c2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1705 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1706 [#8]-[#6]-c1cccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3cccc(-[#6]-[#8])c3)\[#6]-2=[#7]\C#N)c1 |r|
1707 [#8]-[#6]-c1ccc(-[#6]-[#7]2-[#6@H](-[#6]-c3ccccc3)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c3ccccc3)-[#7](-[#6]-c3ccc(-[#6]-[#8])cc3)\[#6]-2=[#7]\C#N)cc1 |r|
1708 [#8]-[#6@@H]-1-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-c2ccc3ccccc3c2)\[#6](=[#7]/C#N)-[#7](-[#6]-c2ccc3ccccc3c2)-[#6@@H]-1-[#6]-c1ccccc1 |r|
1709 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)N[C@@H]1Cc1ccccc1 |r|
1710 Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O |r|
1711 Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O |r|
1712 CSc1nnc2n(nc(C)c2n1)-c1cccc(C)c1
1713 Cc1c(Nc2ccc(Br)cc2F)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O |r|
1714 Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O |r|
1715 O=C(NC1CC1)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1
1716 Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
1717 Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(cc2F)C#N)c(F)c1=O |r|
1718 COc1ccc(OC)c(c1)-c1nc2cc3ccccc3cc2nc1-c1ccccc1
1719 Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(NCS(C)(=O)=O)cc2F)c(F)c1=O |r|
1720 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(Cc2cccc(c2)[N+]([O-])=O)[C@@H]1Cc1ccccc1 |r|
1721 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)N(Cc2ccc(cc2)[N+]([O-])=O)[C@@H]1Cc1ccccc1 |r|
1722 Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(Br)cc2F)c(F)c1=O |r|
1723 Nc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(N)cc3)C2=O)cc1 |r|
1724 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C#N)C(=O)N(Cc2cccc(c2)C#N)[C@@H]1Cc1ccccc1 |r|
1725 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(cc2)C#N)C(=O)N(Cc2ccc(cc2)C#N)[C@@H]1Cc1ccccc1 |r|
1726 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(O)c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r|
1727 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccccc1 |r|
1728 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(OCc3ccccc3)c2)C(=O)N(Cc2cccc(OCc3ccccc3)c2)[C@@H]1Cc1ccccc1 |r|
1729 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(OCc3ccccc3)cc2)C(=O)N(Cc2ccc(OCc3ccccc3)cc2)[C@@H]1Cc1ccccc1 |r|
1730 OCc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(CO)c3)C2=O)c1 |r|
1731 Nc1cccc(Sc2ccccc2)c1C#N
1732 COc1ccccc1Sc1cccc(N)c1C#N
1733 COc1cccc(Sc2cccc(N)c2C#N)c1
1734 COc1ccc(Sc2cccc(N)c2C#N)cc1
1735 Cn1c2ccccc2nc(\C=C\c2ccccc2)c1=O
1736 Cc1cccc(Sc2cccc(N)c2C#N)c1
1737 Cc1ccc(Sc2cccc(N)c2C#N)cc1
1738 Nc1cccc(Sc2ccccc2Cl)c1C#N
1739 Nc1cccc(Sc2cccc(Cl)c2)c1C#N
1740 Nc1cccc(Sc2ccc(Cl)cc2)c1C#N
1741 Nc1cccc(Sc2ccccc2Br)c1C#N
1742 Nc1cccc(Sc2cccc(Br)c2)c1C#N
1743 Nc1cccc(Sc2cccc(F)c2)c1C#N
1744 Nc1cccc(Sc2ccccc2C#N)c1C#N
1745 Nc1cccc(Sc2cccc(c2)C#N)c1C#N
1746 Nc1cccc(Sc2ccc(cc2)C#N)c1C#N
1747 Nc1cccc(Sc2cccc(c2)C(F)(F)F)c1C#N
1748 Nc1cccc(Sc2cccc(N)c2C#N)c1
1749 Nc1cccc(Sc2cc(Cl)ccc2Cl)c1C#N
1750 Cc1cc(C)cc(Sc2cccc(N)c2C#N)c1
1751 Nc1cccc(Sc2cc(Cl)cc(Cl)c2)c1C#N
1752 Cc1cc(Cl)cc(Sc2cccc(N)c2C#N)c1
1753 COc1cc(C)cc(Sc2cccc(N)c2C#N)c1
1754 COc1cc(Sc2cccc(N)c2C#N)cc(c1)C(F)(F)F
1755 [O-][N+](=O)c1ccccc1Sc1ccccc1[N+]([O-])=O
1756 COc1ccccc1S(=O)c1cccc(N)c1C#N
1757 COc1cccc(c1)S(=O)c1cccc(N)c1C#N
1758 COc1ccc(cc1)S(=O)c1cccc(N)c1C#N
1759 Cc1ccccc1S(=O)c1cccc(N)c1C#N
1760 Cc1cccc(c1)S(=O)c1cccc(N)c1C#N
1761 Cc1ccc(cc1)S(=O)c1cccc(N)c1C#N
1762 Nc1cccc(c1C#N)S(=O)c1ccccc1Br
1763 Nc1cccc(c1C#N)S(=O)c1cccc(Br)c1
1764 Nc1cccc(c1C#N)S(=O)c1ccc(Br)cc1
1765 Nc1cccc(c1C#N)S(=O)c1ccccc1C#N
1766 Nc1cccc(c1C#N)S(=O)c1cccc(c1)C#N
1767 Nc1cccc(c1C#N)S(=O)c1ccc(cc1)C#N
1768 Nc1cccc(c1C#N)S(=O)c1cccc(c1)C(F)(F)F
1769 Cc1cc(C)cc(c1)S(=O)c1cccc(N)c1C#N
1770 Nc1cccc(c1C#N)S(=O)c1cc(Cl)ccc1Cl
1771 Cc1cc(Cl)cc(c1)S(=O)c1cccc(N)c1C#N
1772 COc1cc(cc(c1)C(F)(F)F)S(=O)c1cccc(N)c1C#N
1773 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C
1774 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C=C
1775 CCOCCSc1nc2\C(CCc2c(-c2cccs2)c1C#N)=C/c1cccs1
1776 CCCCOc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
1777 Nc1cccc(c1C#N)S(=O)(=O)C1=CC=CC2C=CC=CC12 |c:15,18,20,t:13|
1778 Nc1cccc(c1C#N)S(=O)(=O)c1ccc2ccccc2c1
1779 Nc1nccn2c(nc(-c3cccc(OCc4ccccc4)c3)c12)C1CCC1
1780 [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1[N+]([O-])=O
1781 Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1
1782 COc1ccccc1S(=O)(=O)c1cccc(N)c1C#N
1783 COc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N
1784 COc1ccc(cc1)S(=O)(=O)c1cccc(N)c1C#N
1785 Cc1ccccc1S(=O)(=O)c1cccc(N)c1C#N
1786 Cc1cccc(c1)S(=O)(=O)c1cccc(N)c1C#N
1787 Cc1ccc(cc1)S(=O)(=O)c1cccc(N)c1C#N
1788 Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1Cl
1789 Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Cl)c1
1790 [H][C@]12CN([C@H](CC1)C(=O)NC1CCCNC1)C(=O)N2OS(O)(=O)=O |r|
1791 Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1Br
1792 Nc1cccc(c1C#N)S(=O)(=O)c1cccc(Br)c1
1793 Nc1cccc(c1C#N)S(=O)(=O)c1ccc(Br)cc1
1794 Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1F
1795 CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1cccc(NS(C)(=O)=O)c1 |c:6|
1796 Nc1cccc(c1C#N)S(=O)(=O)c1ccccc1C#N
1797 Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C#N
1798 Nc1cccc(c1C#N)S(=O)(=O)c1ccc(cc1)C#N
1799 Nc1cccc(c1C#N)S(=O)(=O)c1cccc(c1)C(F)(F)F
1800 Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)ccc1Cl
1801 Nc1cccc(c1C#N)S(=O)(=O)c1cc(Cl)cc(Cl)c1
1802 Cc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
1803 Cc1cc(Br)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
1804 Cc1cc(Cl)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
1805 COc1cc(C)cc(c1)S(=O)(=O)c1cccc(N)c1C#N
1806 COc1cc(cc(c1)S(=O)(=O)c1cccc(N)c1C#N)C(F)(F)F
1807 O=C1CC(OC(=O)C1SCc1ccccc1)c1ccccc1
1808 O=C1CC(OC(=O)C1SCCc1ccccc1)c1ccccc1
1809 CCCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1810 CCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1811 CCCCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1812 CCCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1813 CCCCCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1814 CCCCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1815 CCCCCCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1816 CCCCCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1817 CC(C)CC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1818 CC(C)CC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1819 CC(C)CCC1(CC(=O)C(Sc2ccccc2)C(=O)O1)c1ccccc1
1820 CC(C)CCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1821 CC(C)CCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1822 CC(C)CCCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1823 CC(C)CCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1824 O=C1CC(CC2CCCC2)(OC(=O)C1SCc1ccccc1)c1ccccc1
1825 O=C1CC(CC2CCCC2)(OC(=O)C1SCCc1ccccc1)c1ccccc1
1826 O=C1CC(CC2CCCCC2)(OC(=O)C1SCc1ccccc1)c1ccccc1
1827 O=C1CC(OC(=O)C1Sc1ccccc1)(c1ccccc1)c1ccccc1
1828 O=C1CC(OC(=O)C1SCc1ccccc1)(c1ccccc1)c1ccccc1
1829 O=C1CC(OC(=O)C1SCCc1ccccc1)(c1ccccc1)c1ccccc1
1830 O=C1CC(CCc2ccccc2)(OC(=O)C1Sc1ccccc1)c1ccccc1
1831 O=C1CC(CCc2ccccc2)(OC(=O)C1SCc1ccccc1)c1ccccc1
1832 O=C1CC(CCc2ccccc2)(OC(=O)C1SCCc1ccccc1)c1ccccc1
1833 OC(=O)CCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1834 OC(=O)CCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1835 OC(=O)CCCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1836 NC(=O)CCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1837 NC(=O)CCCCC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1
1838 O=C1CC(OC(=O)C1SCCc1ccccc1)(c1ccccc1)c1ccncc1
1839 CN(CC1(CC(=O)C(SCCc2ccccc2)C(=O)O1)c1ccccc1)c1ccccc1
1840 O=C1CC(COc2ccccc2)(OC(=O)C1SCc1ccccc1)c1ccccc1
1841 OCCCCC1(CC(=O)C(SCc2ccccc2)C(=O)O1)c1ccccc1
1842 Cc1ccccc1SC1C(=O)CC(OC1=O)(c1ccccc1)c1ccccc1
1843 Cc1ccccc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
1844 CC(C)c1ccccc1SC1C(=O)CC(OC1=O)(c1ccccc1)c1ccccc1
1845 CC(C)c1ccccc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
1846 CCC(C)c1ccccc1SC1C(=O)CC(OC1=O)(c1ccccc1)c1ccccc1
1847 CCC(C)c1ccccc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
1848 O=C1CC(OC(=O)C1Sc1ccccc1C1CCCC1)(c1ccccc1)c1ccccc1
1849 O=C1CC(OC(=O)C1Sc1ccccc1C1CCCCC1)(c1ccccc1)c1ccccc1
1850 O=C1CC(CCc2ccccc2)(OC(=O)C1Sc1ccccc1C1CCCCC1)c1ccccc1
1851 CC(C)(C)c1ccccc1SC1C(=O)CC(OC1=O)(c1ccccc1)c1ccccc1
1852 CC(C)(C)c1ccccc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
1853 CC(C)c1ccc(C)cc1SC1C(=O)CC(OC1=O)(c1ccccc1)c1ccccc1
1854 CC(C)c1ccc(C)cc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
1855 CC(C)c1ccc(C(C)C)c(SC2C(=O)CC(OC2=O)(c2ccccc2)c2ccccc2)c1
1856 CC(C)c1ccc(C(C)C)c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c1
1857 Cc1ccc(c(SC2C(=O)CC(OC2=O)(c2ccccc2)c2ccccc2)c1)C(C)(C)C
1858 [H][C@]12CN([C@@H](CC1)C(=O)NC1CCNCC1)C(=O)N2OS(O)(=O)=O |r|
1859 CC(C)c1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
1860 CC(C)c1ccc(C)cc1SC1C(=O)C[C@](CCc2ccccc2)(OC1=O)c1ccccc1 |r|
1861 CC(C)c1ccc(C)cc1SC1C(=O)C[C@@](CCc2ccccc2)(OC1=O)c1ccccc1 |r|
1862 O=C1CC2(CCc3ccccc23)OC(=O)C1SCc1ccccc1
1863 O=C1CC2(CCCc3ccccc23)OC(=O)C1SCc1ccccc1
1864 O=C1CC2(CCCc3ccccc23)OC(=O)C1SCCc1ccccc1
1865 CCCCCC1(CCCCC)CC(=O)C(SCc2ccccc2)C(=O)O1
1866 Brc1ccc(NC(=S)NCCc2ccccn2)nc1
1867 CC(CNC(=S)Nc1nccs1)c1ccccc1
1868 C[C@H]1Cn2c3c(CN1CC=C(C)C)cc(Cl)cc3[nH]c2=S |r,wD:1.0,(.71,2.51,;-.83,2.51,;-1.5,3.9,;-3,4.24,;-4.21,3.28,;-4.21,1.74,;-3,.78,;-1.5,1.12,;-.41,.03,;1.13,.03,;2.22,-1.06,;1.82,-2.54,;3.7,-1.46,;-5.54,.97,;-6.88,1.74,;-8.21,.97,;-6.88,3.28,;-5.54,4.05,;-5.08,5.61,;-3.54,5.68,;-2.7,6.97,)|
1869 CN(C(=S)NCCc1ccccc1)c1nccs1
1870 Cc1csc(NC(=S)NCCc2ccccc2)n1
1871 CCc1csc(NC(=S)NCCc2ccccc2)n1
1872 CCCc1csc(NC(=S)NCCc2ccccc2)n1
1873 CC(C)c1csc(NC(=S)NCCc2ccccc2)n1
1874 CCCCc1csc(NC(=S)NCCc2ccccc2)n1
1875 S=C(NCCc1ccccc1)Nc1nc(cs1)C#N
1876 FC(F)(F)c1csc(NC(=S)NCCc2ccccc2)n1
1877 OC(=O)c1csc(NC(=S)NCCc2ccccc2)n1
1878 CCOC(=O)c1csc(NC(=S)NCCc2ccccc2)n1
1879 Clc1cnc(NC(=S)NCCc2ccccc2)s1
1880 S=C(NCCc1ccccc1)Nc1ccn[nH]1
1881 S=C(NCCc1ccccc1)Nc1nncs1
1882 S=C(NCCc1ccccc1)Nc1cnccn1
1883 CCC(C)NC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
1884 Brc1cccnc1NC(=S)NCCc1ccccc1
1885 Brc1ccc(NC(=S)NCCc2ccccc2)nc1
1886 Cc1ccc(NC(=S)NCCc2ccccc2)nc1
1887 S=C(NCCc1ccccc1)Nc1nc2ccccc2s1
1888 CCc1csc(NC(=S)NCCc2c(F)cccc2F)n1
1889 Fc1cccc(F)c1CCNC(=S)Nc1nc(cs1)C#N
1890 Fc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
1891 Cc1ccc(NC(=S)NCCc2c(F)cccc2F)nc1
1892 CCOc1cccc(F)c1CCNC(=S)Nc1ccc(C)cn1
1893 CCOc1cccc(F)c1CCNC(=S)Nc1ccc(Br)cn1
1894 S=C(NCCc1ccccc1)Nc1nccs1
1895 Fc1ccccc1CCNC(=S)Nc1nccs1
1896 Fc1cccc(CCNC(=S)Nc2nccs2)c1
1897 Fc1ccc(CCNC(=S)Nc2nccs2)cc1
1898 CNC(=O)c1ccc2[C@H]3CCCN([C@H]3Cc2c1)C(=O)c1ccc2nc[nH]c2c1 |r|
1899 COc1cccc(CCNC(=S)Nc2nccs2)c1
1900 COc1ccc(CCNC(=S)Nc2nccs2)cc1
1901 Cc1ccccc1CCNC(=S)Nc1nccs1
1902 [N-]=[N+]=Nc1ccccc1CCNC(=S)Nc1nccs1
1903 [O-][N+](=O)c1ccccc1CCNC(=S)Nc1nccs1
1904 Oc1ccccc1CCNC(=S)Nc1nccs1
1905 Clc1ccccc1CCNC(=S)Nc1nccs1
1906 CCOc1cccc(CCNC(=S)Nc2nccs2)c1
1907 CCCOc1cccc(CCNC(=S)Nc2nccs2)c1
1908 CC(C)Oc1cccc(CCNC(=S)Nc2nccs2)c1
1909 CCCCCCOc1cccc(CCNC(=S)Nc2nccs2)c1
1910 S=C(NCCc1cccc(Oc2ccccc2)c1)Nc1nccs1
1911 COc1cccc(OC)c1CCNC(=S)Nc1nccs1
1912 COc1ccc(OC)c(CCNC(=S)Nc2nccs2)c1
1913 COc1ccc(Br)cc1CCNC(=S)Nc1nccs1
1914 COc1cccc(F)c1CCNC(=S)Nc1nccs1
1915 CCOc1cccc(F)c1CCNC(=S)Nc1nccs1
1916 Fc1cccc(F)c1CCNC(=S)Nc1nccs1
1917 Fc1cccc(Cl)c1CCNC(=S)Nc1nccs1
1918 S=C(NCCc1ccccn1)Nc1nccs1
1919 S=C(NCCc1cccnc1)Nc1nccs1
1920 S=C(NCCc1ccncc1)Nc1nccs1
1921 Cn1cccc1CCNC(=S)Nc1nccs1
1922 S=C(NCCc1ccco1)Nc1nccs1
1923 S=C(NCc1ccccc1)Nc1nccs1
1924 CC[C@@H](c1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1)c1c(O)c2ccccc2oc1=O |r|
1925 CCC(c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1)c1c(O)c2ccccc2oc1=O
1926 CCC(c1cccc(NC(=O)CCCNC(=O)OC(C)(C)C)c1)c1c(O)c2ccccc2oc1=O
1927 CCC(c1cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1)c1c(O)c2ccccc2oc1=O |r|
1928 CCC(c1cccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1)c1c(O)c2ccccc2oc1=O |r|
1929 CCC(c1cccc(NC(=O)CCn2ccc3ccccc23)c1)c1c(O)c2ccccc2oc1=O
1930 CCC(c1ccccc1)c1c(O)c2ccc(OC)cc2oc1=O
1931 CCC(c1cccc(NC(=O)CCNC(=O)OC(C)(C)C)c1)c1c(O)c2ccc(OC)cc2oc1=O
1932 Oc1c(C(C2CC2)c2ccccc2)c(=O)oc2ccccc12
1933 CC(C)(C)OC(=O)NCCC(=O)Nc1cccc(c1)C(C1CC1)c1c(O)c2ccccc2oc1=O
1934 COc1ccc2c(O)c(C(C3CC3)c3ccccc3)c(=O)oc2c1
1935 COc1ccc2c(O)c(C(C3CC3)c3cccc(NC(=O)CCNC(=O)OC(C)(C)C)c3)c(=O)oc2c1
1936 CCC(c1cccc(c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)c1c(O)c2ccccc2oc1=O |r|
1937 CCC(c1cccc(c1)C(=O)NCc1nc2ccccc2[nH]1)c1c(O)c2ccccc2oc1=O
1938 CCC(C)[C@H](NC(=O)c1cccc(c1)C(CC)c1c(O)c2ccccc2oc1=O)C(=O)NCc1ccccn1 |r|
1939 CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](C2CC2)c2cccc(NC(=O)CCNC(=O)OC(C)(C)C)c2)c(=O)o1 |r|
1940 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)Cc3ccncc3)c2)c(=O)o1
1941 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r|
1942 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3cn(cn3)S(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r|
1943 CCC(Cc1ccccc1)c1cc(O)c(C(C2CC2)c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)c(=O)o1 |r|
1944 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1945 CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
1946 CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(OCCOCCOCCO)cc2[nH]1
1947 CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1948 CNC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)N(C)c1ncccc1NC(C)C
1949 CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
1950 CC(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2ccc(CO)cc2[nH]1
1951 CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
1952 CCC(C)(C)Nc1cccnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1953 CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC1CC1
1954 CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1CC1
1955 CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC1(C)CC1
1956 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
1957 CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)C
1958 CC(C)Nc1cccnc1N(C1CC1)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1959 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
1960 CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NC(C)(C)C
1961 CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1962 CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)CC)ccc2[nH]1
1963 CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)C(C)C)ccc2[nH]1
1964 CCCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ncccc1NCC
1965 CCNc1cccnc1N(C(C)C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1966 CCCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
1967 CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1
1968 CCNc1cccnc1N(CC)C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1
1969 CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
1970 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
1971 CCN1c2ccccc2Oc2ccccc2C1=O
1972 C=CCN1c2ccccc2Oc2ccccc2C1=O
1973 CCCN1c2ccccc2Oc2ccccc2C1=O
1974 CC(C)N1c2ccccc2Oc2ccccc2C1=O
1975 CCCN1c2ccccc2Oc2ccccc2C1=S
1976 CN1c2ccccc2Oc2ccc(N)cc2C1=O
1977 CCN1c2ccccc2Oc2ccc(N)cc2C1=O
1978 CN1c2ccc(C)cc2Oc2ccccc2C1=O
1979 CN1c2ccc(C)cc2Oc2ccc(N)cc2C1=O
1980 CCCN1c2ccc(C)cc2Oc2ccc(N)cc2C1=O
1981 CCN1c2cc(C)ccc2Oc2ccc(N)cc2C1=O
1982 CCN1c2c(C)cccc2Oc2ccc(N)cc2C1=O
1983 CCCN1c2c(C)cccc2Oc2ccc(N)cc2C1=O
1984 CCCN1c2cc(C)c(C)cc2Oc2ccc(N)cc2C1=O
1985 CCCN1c2c(C)c(C)ccc2Oc2ccc(N)cc2C1=O
1986 CCCN1c2cc(C)cc(C)c2Oc2ccc(N)cc2C1=O
1987 CN1c2c(C)cc(C)cc2Oc2ccc(N)cc2C1=O
1988 CCN1c2c(C)cc(C)cc2Oc2ccc(N)cc2C1=O
1989 CN1c2ccc(C)cc2Oc2ccc(O)cc2C1=O
1990 CN1c2ccc(C)cc2Oc2ccc(cc2C1=O)C#N
1991 CN1c2c(C)cc(C)cc2Oc2ccccc2C1=O
1992 CN1c2c(C)cc(C)cc2Oc2ccc(cc2C1=O)C#N
1993 CN1c2c(C)cc(C)cc2Oc2ccc(O)cc2C1=O
1994 CCCN1c2ccccc2Sc2ccccc2C1=O
1995 CCCN1c2ccc(Cl)nc2Oc2ccccc2C1=O
1996 CSCCN1c2ccc(Cl)nc2Oc2ccccc2C1=O
1997 CCN1c2c(Oc3ncccc3C1=O)cccc2[N+]([O-])=O
1998 CN1c2ccc(C)cc2Oc2ncc(N)cc2C1=O
1999 CN1c2cc(C)c(C)cc2Oc2ncc(N)cc2C1=O
2000 CCN1c2cc(C)c(C)cc2Oc2ncc(N)cc2C1=O
2001 CC(C)N1c2cc(C)c(C)cc2Oc2ncc(N)cc2C1=O
2002 CN1c2c(C)cc(C)cc2Oc2ncc(N)cc2C1=O
2003 CCN1c2c(C)cc(C)cc2Oc2ncc(N)cc2C1=O
2004 CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=O
2005 CCN1c2c(C)cc(C)cc2Oc2ncccc2C1=S
2006 CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O
2007 CCN1c2c(N)cc(C)cc2Oc2ncccc2C1=O
2008 CCN1c2c(Oc3ncccc3C1=O)cc(C)cc2C#N
2009 CN1c2c(Oc3ncccc3C1=O)cc(C)cc2C#N
2010 CN1c2c(Oc3ncccc3C1=O)cc(C)cc2[N+]([O-])=O
2011 CN1c2c(N)cc(C)cc2Oc2ncccc2C1=O
2012 COC(=O)c1cc(C)cc2Oc3ncccc3C(=O)N(C)c12
2013 Cn1ncc2c(cccc12)-c1cccn2nc(Nc3ccc4CCN(CCc4c3)C(=O)OC(C)(C)C)nc12
2014 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccccc12
2015 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(OC)cc12
2016 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccc(F)cc12
2017 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12
2018 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ccncc12
2019 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cnccc12
2020 CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2ncccc12
2021 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
2022 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
2023 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(NCc3ccccc3)cnc12
2024 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3ccccc3)cnc12
2025 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3)cnc12
2026 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(cnc12)N(C)C(=O)c1ccccc1
2027 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CN(C)c3ccccc3)cnc12
2028 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12
2029 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12
2030 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(O)c3)cnc12
2031 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(O)cc3)cnc12
2032 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3F)cnc12
2033 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(F)cc3)cnc12
2034 CCN1c2ncc(COc3cccc(c3)C(=O)OC)cc2C(=O)N(C)c2ccc(Cl)nc12
2035 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(cc3)C(=O)OC)cnc12
2036 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(O)=O)cnc12
2037 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)C(N)=O)cnc12
2038 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(N)c3)cnc12
2039 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(c3)[N+]([O-])=O)cnc12
2040 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccc(OC)c3)cnc12
2041 CCN1c2ncc(COc3cccc4[nH]ccc34)cc2C(=O)N(C)c2ccc(Cl)nc12
2042 CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12
2043 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cccnc3)cnc12
2044 CCN1c2ncccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
2045 CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
2046 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccncc3)cnc12
2047 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(C)c3)cnc12
2048 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12
2049 CCN1c2ncccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
2050 CCN1c2nc(F)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
2051 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])cc3)cnc12
2052 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(C)c3)cnc12
2053 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3cc[n+]([O-])c(c3)C(F)(F)F)cnc12
2054 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccccc3)cnc12
2055 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)c3ccccc3)cnc12
2056 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12
2057 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ncccn3)cnc12
2058 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12
2059 CCN1c2ncc(CSc3ncnc4nc[nH]c34)cc2C(=O)N(C)c2ccc(Cl)nc12
2060 CCN1c2ncc(CSc3ncnc4n[nH]cc34)cc2C(=O)N(C)c2ccc(Cl)nc12
2061 CS(=O)(=O)c1ccc(cc1)C(=C)n1nc(NC(=O)Nc2ccc(cc2)N2CCNCC2)nc1C=C
2062 CCN1c2ncccc2N(C)C(=O)c2cc(C)cnc12
2063 CCN1c2ncccc2N(C)C(=O)c2cc(Cl)cnc12
2064 CCN1c2ncccc2N(C)C(=O)c2cc(N)cnc12
2065 CCN1c2ncccc2N(C)C(=O)c2cc(NC(N)=O)cnc12
2066 CCN1c2ncccc2N(C)C(=O)c2cc(cnc12)C(O)=O
2067 CCN1c2ncccc2N(C)C(=O)c2cc(CO)cnc12
2068 CCN1c2ncccc2N(C)C(=O)c2cc(CCO)cnc12
2069 CCN1c2ncccc2N(C)C(=O)c2cc(CCCO)cnc12
2070 CCN1c2ncccc2N(C)C(=O)c2cc(CCC#N)cnc12
2071 CCN1c2ncccc2N(C)C(=O)c2cc(CCC(N)=O)cnc12
2072 CCN1c2ncccc2N(C)C(=O)c2cc(CCC(=O)OC)cnc12
2073 CCN1c2ncccc2N(C)C(=O)c2cc(\C=C\C(=O)OC)cnc12
2074 CCN1c2ncccc2N(C)C(=O)c2cc(Cc3ccccc3)cnc12
2075 CCN1c2ncccc2N(C)C(=O)c2cc(cnc12)-c1cccc(OC)c1
2076 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12
2077 CCN1c2ncccc2N(C)C(=O)c2cc(CCCc3ccccc3)cnc12
2078 CCN1c2ncccc2N(C)C(=O)c2cc(\C=C/c3ccccc3)cnc12
2079 CCN1c2ncccc2N(C)C(=O)c2cc(\C=C\c3ccncc3)cnc12
2080 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
2081 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccnc3)cnc12
2082 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccn3)cnc12
2083 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cncnc3)cnc12
2084 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3nccs3)cnc12
2085 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
2086 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
2087 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
2088 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
2089 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
2090 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
2091 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12
2092 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3ccccc3N)cnc12
2093 CCN1c2ncccc2N(C)C(=O)c2cc(CCc3cccc(F)c3)cnc12
2094 CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccccc3)cnc12)-c1ccc[nH]1
2095 CCN1c2nc(ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12)C#N
2096 CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
2097 CCN1c2nc(I)ccc2N(C)C(=O)c2cc(CCc3ccncc3)cnc12
2098 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
2099 CCN1c2nc(F)ccc2N(C)C(=O)c2cc(CCc3ccc4ccccc4c3)cnc12
2100 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(C)cc3)cnc12
2101 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(C)c3)cnc12
2102 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccccc3C)cnc12
2103 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(N)cc3)cnc12
2104 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(N)c3)cnc12
2105 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NC(N)=O)c3)cnc12
2106 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccc(NS(C)(=O)=O)cc3)cnc12
2107 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(NS(C)(=O)=O)c3)cnc12
2108 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3cccc(c3)N=[N+]=[N-])cnc12
2109 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(C)c3)cnc12
2110 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(CO)c3)cnc12
2111 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(=O)OC)cnc12
2112 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(N)=O)cnc12
2113 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(N)c3)cnc12
2114 CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CCc3ccnc(c3)C(O)=O)cnc12
2115 Clc1ccccc1-c1nc2ccccn2c1NC1CCCCC1
2116 Clc1ccccc1-c1nc2cccc(Br)n2c1NC1CCCCC1
2117 Brc1ccccc1-c1nc2ccccn2c1NC1CCCCC1
2118 CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2119 CC(=O)NCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2120 Fc1ccc(C#N)c(F)c1CCNC(=S)Nc1ccc(Cl)cn1
2121 CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
2122 CN(C)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2123 COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2124 CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2125 COCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2126 Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCC1
2127 CCOc1ccc(F)c(CCNC(=S)Nc2ccc(I)cn2)c1Cl
2128 CCOc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1Cl
2129 CCOc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1Cl |c:16,20|
2130 CCOc1ccc(F)c(CCNC(=S)Nc2ncc(s2)C(F)(F)F)c1Cl
2131 CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
2132 COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1C#N
2133 COc1ccc(F)c(CCNC(=S)Nc2ccc(cn2)C#N)c1C#N
2134 COc1ccc(F)c(CCNC(=S)NN2C=CC(Cl)C=N2)c1C#N |c:15,19|
2135 COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1
2136 CCOc1ccc(OCC)c(CCNC(=S)Nc2ccc(Br)cn2)c1
2137 CCOc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
2138 COc1ccc(F)c(F)c1CCNC(=S)Nc1ccc(Br)cn1
2139 COc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
2140 CCOc1ccc(OC)c(CCNC(=S)Nc2ccc(Cl)cn2)c1F
2141 COc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1OC
2142 CCOc1ccc(Cl)c(CCNC(=S)Nc2ccc(Br)cn2)c1F
2143 Fc1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
2144 CN(C)c1cc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c(F)c1
2145 CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N
2146 CCOc1c(Cl)cc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
2147 Cn1cccc1CCNC(=S)Nc1ccc(cn1)C#N
2148 Cn1cccc1CCNC(=S)Nc1ccc(Cl)cn1
2149 Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1
2150 Clc1ccc(NC(=S)NCCc2occc2C#N)nc1
2151 Brc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)nc1
2152 COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Br)cn3)c2c1
2153 Brc1ccc(NC(=S)NCCn2nc3ccccc3n2)nc1
2154 Cc1cc2nn(CCNC(=S)Nc3ccc(Br)cn3)nc2cc1C
2155 Brc1ccc(NC(=S)NCCc2nc3ccccc3[nH]2)nc1
2156 Clc1ccc(NC(=S)NCCN2C(=O)c3ccccc3C2=O)nc1
2157 CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1Cl
2158 Cc1ccc(Cl)c(-c2nc3ccccn3c2NC2CCCCC2)c1F |(6.16,-.4,;5.39,.93,;6.16,2.27,;5.39,3.6,;3.85,3.6,;3.08,4.93,;3.08,2.27,;1.54,2.27,;.64,3.51,;-.83,3.04,;-2.16,3.81,;-3.49,3.04,;-3.49,1.5,;-2.16,.73,;-.83,1.5,;.64,1.02,;1.04,-.47,;.22,-1.59,;-1.27,-1.2,;-2.36,-2.29,;-1.96,-3.77,;-.47,-4.17,;.62,-3.08,;3.85,.93,;3.08,-.4,)|
2159 Clc1ccc(NC(=S)NCCN2C(=O)c3c(C2=O)c(Cl)ccc3Cl)nc1
2161 Clc1ccc(-c2nc3ccccn3c2NC2CCCCC2)c(Cl)c1
2162 Clc1ccccc1-c1nc2ccc3ccccc3n2c1NC1CCCCC1
2163 Cc1ccc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c1)C(C)(C)C
2164 CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1
2165 CCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1
2166 CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1
2167 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1
2168 Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c1)C(C)(C)C
2169 Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c1)C(C)(C)C
2170 Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c1)C(C)(C)C
2171 Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)OC2=O)c1)C(C)(C)C
2172 Clc1ccccc1-c1nc2cccc(Cl)n2c1NC1CCCCC1
2173 Clc1ccccc1-c1nc2cccc(C#N)n2c1NC1CCCCC1
2174 CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2175 CCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2176 CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2177 Cc1ccc2nc(c(NC3CCCCC3)n2c1)-c1ccccc1Cl
2178 CC(C)CC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2179 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c(cc1CO)C(C)(C)C
2180 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCC2)c(cc1CO)C(C)(C)C
2181 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1CO)C(C)(C)C
2182 Cc1cccn2c(NC3CCCCC3)c(nc12)-c1ccccc1Cl
2183 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1O)C(C)(C)C
2184 Cc1cccc2nc(c(NC3CCCCC3)n12)-c1ccccc1Cl
2185 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1O)C(C)(C)C
2186 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OCCO)C(C)(C)C
2187 COCOCCOc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C
2188 CCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1
2189 CCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1
2190 CCCCCC1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1
2191 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1
2192 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CC2)c(cc1OCCO)C(C)(C)C
2193 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCC2)c(cc1OCCO)C(C)(C)C
2194 Cc1cccn2c(NC3CCCC3)c(nc12)-c1ccccc1Cl
2195 Cc1cccc2nc(c(NC3CCCC3)n12)-c1ccccc1Cl
2196 CC(C)CC1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2197 FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
2198 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)ccc2C(C)(C)C)C(=O)O1
2199 O=C(CC1CC[NH2+]CC1)NC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|
2200 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2201 O=C(CC1CCC[NH2+]C1)NC12CC3CC(CC(C3)C1)C2 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|
2202 CCN1CCC(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:18:10:13:17.15.16,18:16:13:11.10.19,15:14:11:18.17.16,15:16:11:14.13.19|
2203 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OCCO)cc2C(C)(C)C)C(=O)O1
2204 CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r|
2205 CC(C)[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r|
2206 CC(C)[C@]1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r|
2207 CC(C)[C@@]1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r|
2208 CC(C)[C@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r|
2209 CC(C)[C@@]1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |r|
2210 COC(=O)c1cccc(c1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
2211 COC(=O)c1ccc(cc1)C(=O)N1CCC(CNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |THB:29:21:24:28.26.27,29:27:24:22.21.30,26:25:22:29.28.27,26:27:22:25.24.30|
2212 C[C@H](c1nnc2ccc(nn12)C(\C)=N\OCCO)c1cc2cnn(C)c2cc1C |r|
2213 CCc1cc(CCc2nc3ccccc3s2)c(=O)[nH]c1C
2214 C[C@H](c1nnc2ccc(nn12)C(\C)=N\OCCO)c1c(F)cc2ncccc2c1F |r|
2215 CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
2216 C[C@@H](c1nnc2ccc(nn12)C(\C)=N\OCCO)c1c(F)cc2ncccc2c1F |r|
2217 CCc1cc(CCc2cc3ccccc3o2)c(=O)[nH]c1C
2218 C[C@@H](c1nnc2ccc(nn12)C(\C)=N\OCCO)c1cc2cccnc2cc1F |r|
2219 N[C@@H](Cc1conc1C(O)=O)C(O)=O |r|
2220 C\C(=N/OCC(O)CO)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
2221 C\C(=N/O)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
2222 CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C
2223 CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
2224 CCc1cc(CCc2ccccc2)c(=O)[nH]c1C
2225 CCc1cc(CCc2ccc3ccccc3c2)c(=O)[nH]c1C
2226 CCc1cc(CCc2ccccn2)c(=O)[nH]c1C
2227 CCc1cc(CCc2ccc3ccccc3n2)c(=O)[nH]c1C
2228 CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 |r|
2229 CCC[C@H](Oc1cc(C)c(c(C)c1)-n1cc2ccccc2n1)c1ccc(cc1)C(=O)NCCC(O)=O |r|
2230 CCc1cc(CCc2nc3CCCCc3o2)c(=O)[nH]c1C
2231 CCc1cc(CCc2ncc(o2)-c2ccccc2)c(=O)[nH]c1C
2232 CC1(C)CC(C1)[C@@H](Nc1ccc(nc1)-n1cnc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O |r|
2233 CCc1cc(CCc2cc3cnccc3o2)c(=O)[nH]c1C
2234 CCc1cc(CCc2nc3c(C)cccc3o2)c(=O)[nH]c1C
2235 CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=O)[nH]c1C
2236 CCc1cc(CCc2nc3c(F)cccc3o2)c(=O)[nH]c1C
2237 CCc1cc(CCc2nc3cccc(C)c3o2)c(=O)[nH]c1C
2238 CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=O)[nH]c1C
2239 CCc1cc(CCc2nc3cccc(F)c3o2)c(=O)[nH]c1C
2240 CC1(C)CC(C1)[C@H](Nc1ccc(nc1)-n1cnc(c1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O |r|
2241 CCC[C@@H](Nc1ccc(nc1)-n1cc(cn1)C(C)(C)C)c1ccc(cc1)C(=O)NCCC(O)=O |r|
2242 CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=O)[nH]c1C
2243 CCc1cc(CCc2nc3ccc(C)cc3o2)c(=O)[nH]c1C
2244 CCc1cc(CCc2nc3ccc(F)cc3o2)c(=O)[nH]c1C
2245 CCc1cc(CCc2nc3cc(F)ccc3o2)c(=O)[nH]c1C
2246 CCc1cc(CCc2nc3ccccc3o2)c(=S)[nH]c1C
2247 CCc1cc(CCc2nc3c(C)ccc(C)c3o2)c(=S)[nH]c1C
2248 CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=S)[nH]c1C
2249 CCc1cc(CCc2nc3c(F)ccc(F)c3o2)c(=S)[nH]c1C
2250 CCc1cc(CCc2nc3c(F)cccc3o2)c(=S)[nH]c1C
2251 CCc1cc(CCc2nc3cccc(F)c3o2)c(=S)[nH]c1C
2252 CCc1cc(CCc2nc3c(Cl)cccc3o2)c(=S)[nH]c1C
2253 CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=S)[nH]c1C
2254 CCc1cc(CCc2nc3ccccc3o2)c(N)nc1C
2255 CCc1cc(OCc2nc3ccccc3o2)c(=O)[nH]c1C
2256 CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
2257 CCc1cc(SCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
2258 CCc1cc(S(=O)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
2259 CCc1cc(c(=O)[nH]c1C)S(=O)(=O)Cc1nc2c(Cl)ccc(Cl)c2o1
2261 CCc1cc(CNc2nc3ccccc3o2)c(=O)[nH]c1C
2262 CCc1cc(\C=C\c2nc3ccccc3o2)c(=O)[nH]c1C
2263 CCc1cc(\C=C/c2nc3ccccc3o2)c(=O)[nH]c1C
2264 CCc1cc(Cc2nc3ccccc3o2)c(=O)[nH]c1C
2265 CCc1cc(CCCc2nc3ccccc3o2)c(=O)[nH]c1C
2266 Cc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
2267 CCCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
2268 CC(C)c1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
2269 Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1-c1ccccc1
2270 Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1C#N
2271 Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1C(N)=O
2272 Cc1[nH]c(=O)c(CCc2nc3ccccc3o2)cc1CO
2273 COCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
2274 CCc1c[nH]c(=O)c(CCc2nc3ccccc3o2)c1
2275 Cc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
2276 CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C
2277 CN(C)c1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C
2278 NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
2279 O=S(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1ccccc1
2280 Clc1ccc2[nH]c(CS(=O)c3ccccc3)c(Sc3ccccc3)c2c1
2281 O=S(Cc1[nH]c2ccccc2c1S(=O)c1ccccc1)c1ccccc1
2282 COC(=O)c1[nH]c2ccccc2c1Sc1ccccc1
2283 COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
2284 NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
2285 CN(C)C(=O)c1[nH]c2ccccc2c1Sc1ccccc1
2286 CNC(=O)c1[nH]c2ccccc2c1Sc1ccccc1
2287 CNC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1
2288 NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)c1ccccc1
2289 CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
2290 CCNc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
2291 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
2292 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
2293 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
2294 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
2295 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1
2296 COc1ccc2cc([nH]c2c1)C(=O)N1CCN(CC1)c1ncccc1NC(C)C
2297 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(F)cc2[nH]1
2298 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(OCc3ccccc3)cc2[nH]1
2299 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1
2300 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)C#N
2301 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(C=O)cc2[nH]1
2302 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(OS(C)(=O)=O)ccc2[nH]1
2303 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NC(C)=O)ccc2[nH]1
2304 COC(=O)Nc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ncccc1NC(C)C
2305 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NC(=O)C(F)(F)F)ccc2[nH]1
2306 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)C(F)(F)F)ccc2[nH]1
2307 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(NS(C)(=O)=O)cc2[nH]1
2308 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(OS(C)(=O)=O)cc2[nH]1
2309 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2ccc(CO)cc2[nH]1
2310 CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)N(C)S(C)(=O)=O
2311 Cc1nn(c(c1CC#N)-c1ccccc1)-c1ccccc1
2312 CCc1c(C)nn(c1-c1ccccc1)-c1ccccc1
2313 Cc1nn(c(c1CC#C)-c1ccccc1)-c1ccccc1
2314 CCc1c(CCO)nn(c1-c1ccccc1)-c1ccccc1
2315 CC(C)Sc1nc(cc(=O)[nH]1)C(C)c1ccccc1
2316 CC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCC2)n1
2317 CC(C)Sc1nc(cc(=O)[nH]1)C(C)c1cccc2ccccc12
2318 CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12
2319 CC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12
2320 CSc1nc(cc(=O)[nH]1)C(C)c1c(F)cccc1F
2321 CC(c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1F
2322 CSc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
2323 CC(C)Sc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
2324 CCC(C)Sc1nc(C(C)c2c(F)cccc2F)c(C)c(=O)[nH]1
2325 CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F
2326 CCC(c1ccccc1)c1cc(=O)[nH]c(SC(C)C)n1
2327 CCC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCC2)n1
2328 CCC(c1ccccc1)c1cc(=O)[nH]c(SC2CCCCC2)n1
2329 CCC(c1cc(=O)[nH]c(SC(C)C)n1)c1cccc2ccccc12
2330 CCC(c1cc(=O)[nH]c(SC2CCCCC2)n1)c1cccc2ccccc12
2331 CC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
2332 CCC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
2333 Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1
2334 CC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
2335 CCC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
2336 Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O
2337 CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
2338 COC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
2339 CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
2340 CCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
2341 CC(C)OC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
2342 Nc1ccc(Cl)cc1S(=O)(=O)n1cccc1C(=O)OCC=C
2343 CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC=O
2344 CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(C)=O
2345 CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1NC(=O)CC
2346 CCOC(=O)CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)n1cccc1C(=O)OCC
2347 CCOC(=O)c1cccn1S(=O)(=O)c1cc(C)ccc1[N+]([O-])=O
2348 CCOC(=O)c1cccn1S(=O)(=O)c1cc(C)ccc1N
2349 CCC(C)Sc1nc(Cc2ccccc2Cl)cc(=O)[nH]1
2350 CCC(C)Sc1nc(Cc2cccc(Cl)c2)cc(=O)[nH]1
2351 CCC(C)Sc1nc(Cc2ccc(Cl)cc2)cc(=O)[nH]1
2352 CCC(C)Sc1nc(Cc2ccccc2F)cc(=O)[nH]1
2353 CCC(C)Sc1nc(Cc2cccc(F)c2)cc(=O)[nH]1
2354 CCC(C)Sc1nc(Cc2ccc(F)cc2)cc(=O)[nH]1
2355 CCC(C)Sc1nc(Cc2ccccc2[N+]([O-])=O)cc(=O)[nH]1
2356 CCC(C)Sc1nc(Cc2cccc(c2)[N+]([O-])=O)cc(=O)[nH]1
2357 CCC(C)Sc1nc(Cc2ccc(cc2)[N+]([O-])=O)cc(=O)[nH]1
2358 CCC(C)Sc1nc(Cc2ccccc2Cl)c(C)c(=O)[nH]1
2359 CCC(C)Sc1nc(Cc2cccc(Cl)c2)c(C)c(=O)[nH]1
2360 CCC(C)Sc1nc(Cc2ccc(Cl)cc2)c(C)c(=O)[nH]1
2361 CCC(C)Sc1nc(Cc2ccccc2F)c(C)c(=O)[nH]1
2362 CCC(C)Sc1nc(Cc2cccc(F)c2)c(C)c(=O)[nH]1
2363 CCC(C)Sc1nc(Cc2ccc(F)cc2)c(C)c(=O)[nH]1
2364 CCC(C)Sc1nc(Cc2cccc(c2)[N+]([O-])=O)c(C)c(=O)[nH]1
2365 CCC(C)Sc1nc(Cc2ccc(cc2)[N+]([O-])=O)c(C)c(=O)[nH]1
2366 CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1
2367 CC(C)Sc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1
2368 CCCCSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1
2369 CC(C)CSc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1
2370 CCC(C)Sc1nc(Cc2c(Cl)cccc2Cl)cc(=O)[nH]1
2371 Clc1cccc(Cl)c1Cc1cc(=O)[nH]c(SC2CCCCC2)n1
2372 CSc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
2373 Cc1onc(C(O)=O)c1C[C@@H](N)C(O)=O |r|
2374 CCCCSc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
2375 CC(C)CSc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
2376 CCC[C@H](Nc1ccc(nc1)-n1cc(cn1)C(C)(C)C)c1ccc(cc1)C(=O)NCCC(O)=O |r|
2377 CC(C)C[C@@H](Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cn1)C(=O)NCCC(O)=O |r|
2378 Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCCC2)n1
2379 CSc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
2380 CC(C)Sc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
2381 CCCCSc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
2382 CC(C)CSc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
2383 CCC(C)Sc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1
2384 Cc1c(Cc2c(Cl)cccc2Cl)nc(SC2CCCC2)[nH]c1=O
2385 Cc1c(Cc2c(Cl)cccc2Cl)nc(SC2CCCCC2)[nH]c1=O
2386 CSc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
2387 CC(C)C[C@H](Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cn1)C(=O)NCCC(O)=O |r|
2388 CCCCSc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
2389 CC(C)CSc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1
2390 OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)C1CCCCC1 |r|
2391 OC(=O)CCNC(=O)c1ccc(cc1)[C@H](Nc1ccc(nc1)-n1cc(cn1)C(F)(F)F)C1CCCCC1 |r|
2392 Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O
2393 CCC(C)Sc1nc(Cc2ccccc2)cc(=O)[nH]1
2394 CCC(C)Sc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
2395 O=c1cc(Cc2ccccc2)nc(SC2CCCC2)[nH]1
2396 Cc1c(Cc2ccccc2)nc(SC2CCCC2)[nH]c1=O
2397 CCOC(=O)c1cc(C)cn1S(=O)(=O)c1cc(Cl)ccc1N
2398 CCOC(=O)c1cccn1S(=O)(=O)c1c(N)cccc1Cl
2399 CCOC(=O)c1cc(CO)cn1S(=O)(=O)c1cc(Cl)ccc1N
2400 CC(C)OC(=O)c1cc(CO)cn1S(=O)(=O)c1cc(Cl)ccc1N
2401 CCOC(=O)c1cc(cn1S(=O)(=O)c1cc(Cl)ccc1N)C(C)O
2402 CCOC(=O)c1cc(C=C)cn1S(=O)(=O)c1cc(Cl)ccc1N
2403 CCOC(=O)c1cc(COc2ccccc2)cn1S(=O)(=O)c1cc(Cl)ccc1N
2404 CCOC(=O)c1cc(COC)cn1S(=O)(=O)c1cc(Cl)ccc1N
2405 CCOC(=O)c1cc(CNc2ccccc2)cn1S(=O)(=O)c1cc(Cl)ccc1N
2406 CC(C)OC(=O)c1cc(CNc2ccccc2)cn1S(=O)(=O)c1cc(Cl)ccc1N
2407 CCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1-n1cccc1
2408 CC1(C)CC(C1)C(Oc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
2409 Cc1ncc(n1CCOC(c1ccccc1)c1ccccc1C)[N+]([O-])=O
2410 Cc1ncc(n1CCOC(c1ccccc1)c1ccccc1F)[N+]([O-])=O
2411 Cc1ncc(n1CCOC(c1ccccc1)c1ccccc1Cl)[N+]([O-])=O
2412 Cc1ncc(n1CCOC(c1ccccc1)c1cccc(C)c1)[N+]([O-])=O
2413 Cc1ncc(n1CCOC(c1ccccc1)c1cccc(F)c1)[N+]([O-])=O
2414 Cc1ncc(n1CCOC(c1ccccc1)c1cccc(Cl)c1)[N+]([O-])=O
2415 Cc1ncc(n1CCOC(c1ccccc1)c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O
2416 Cc1ncc(n1CCOC(c1ccccc1)c1ccccc1)[N+]([O-])=O
2417 CCOC(=O)CCNC(=O)c1ccc(cc1)C(Oc1cnc(nc1)-n1cc(cn1)C(F)(F)F)C1CC(C)(C)C1
2418 Cc1ncc(n1CCOC(c1ccccc1)c1ccc(C)cc1)[N+]([O-])=O
2419 Cc1ncc(n1CCOC(c1ccccc1)c1ccc(cc1)C(C)(C)C)[N+]([O-])=O
2420 Cc1ncc(n1CCOC(c1ccccc1)c1ccc(F)cc1)[N+]([O-])=O
2421 Cc1ncc(n1CCOC(c1ccccc1)c1ccc(Cl)cc1Cl)[N+]([O-])=O
2422 CCC(C)Sc1nc(COc2ccccc2)c(C)c(=O)[nH]1
2423 CCC(C)Sc1nc(Cc2cccc3ccccc23)cc(=O)[nH]1
2424 O=c1cc(Cc2cccc3ccccc23)nc(SC2CCCC2)[nH]1
2425 CCC(C)Sc1nc(Cc2cccc3ccccc23)c(C)c(=O)[nH]1
2426 Cc1c(Cc2cccc3ccccc23)nc(SC2CCCC2)[nH]c1=O
2427 CCC(C)Sc1nc(Cc2ccc3ccccc3c2)cc(=O)[nH]1
2428 O=c1cc(Cc2ccc3ccccc3c2)nc(SC2CCCCC2)[nH]1
2429 CCC(C)Sc1nc(Cc2ccc3ccccc3c2)c(C)c(=O)[nH]1
2430 Cc1cccc(Cc2nc(SC3CCCCC3)[nH]c(=O)c2C)c1
2431 Cc1cccc(Cc2cc(=O)[nH]c(=S)[nH]2)c1
2432 Cc1c(Cc2ccccc2)[nH]c(=S)[nH]c1=O
2433 Cc1cccc(Cc2[nH]c(=S)[nH]c(=O)c2C)c1
2434 CSc1nc(Cc2ccccc2)cc(=O)[nH]1
2435 CC(C)Sc1nc(Cc2ccccc2)cc(=O)[nH]1
2436 CC(C)CSc1nc(Cc2ccccc2)cc(=O)[nH]1
2437 CC1(C)CC(C1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
2438 CCOC(=O)CCNC(=O)c1ccc(cc1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)C1CC(C)(C)C1
2439 O=c1cc(Cc2ccccc2)nc(SC2CCCCC2)[nH]1
2440 CSc1nc(Cc2cccc(C)c2)cc(=O)[nH]1
2441 CC(C)Sc1nc(Cc2cccc(C)c2)cc(=O)[nH]1
2442 CC(C)CSc1nc(Cc2cccc(C)c2)cc(=O)[nH]1
2443 CCC(C)Sc1nc(Cc2cccc(C)c2)cc(=O)[nH]1
2444 Cc1cccc(Cc2cc(=O)[nH]c(SC3CCCC3)n2)c1
2445 Cc1cccc(Cc2cc(=O)[nH]c(SC3CCCCC3)n2)c1
2446 CSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
2447 CC(C)Sc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
2448 CC(C)CSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
2449 C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
2450 C[C@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
2451 Cc1c(Cc2ccccc2)nc(SC2CCCCC2)[nH]c1=O
2452 CSc1nc(Cc2cccc(C)c2)c(C)c(=O)[nH]1
2453 CC(C)Sc1nc(Cc2cccc(C)c2)c(C)c(=O)[nH]1
2454 CC(C)CSc1nc(Cc2cccc(C)c2)c(C)c(=O)[nH]1
2455 CCC(C)Sc1nc(Cc2cccc(C)c2)c(C)c(=O)[nH]1
2456 Cc1cccc(Cc2nc(SC3CCCC3)[nH]c(=O)c2C)c1
2457 C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
2458 CSC1=N\C(=C\c2ccccc2)C(C)(C)C(=O)N1 |t:2|
2459 CC(C)SC1=N\C(=C\c2ccccc2)C(C)(C)C(=O)N1 |t:4|
2460 CC(C)CSC1=N\C(=C\c2ccccc2)C(C)(C)C(=O)N1 |t:5|
2461 CCC(C)SC1=N\C(=C\c2ccccc2)C(C)(C)C(=O)N1 |t:5|
2462 CC1(C)C(=O)NC(SC2CCCC2)=N\C1=C\c1ccccc1 |c:13|
2463 CC1(C)C(=O)NC(SC2CCCCC2)=N\C1=C\c1ccccc1 |c:14|
2464 O=C1Nc2ccccc2S(=O)(=O)n2cccc12
2465 CN1c2ccccc2S(=O)(=O)n2cccc2C1=O
2466 CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O
2467 CCCN1c2ccccc2S(=O)(=O)n2cccc2C1=O
2468 CC(C)N1c2ccccc2S(=O)(=O)n2cccc2C1=O
2469 C=CCN1c2ccccc2S(=O)(=O)n2cccc2C1=O
2470 C\C=C\CN1c2ccccc2S(=O)(=O)n2cccc2C1=O
2471 CCOC(=O)CN1c2ccccc2S(=O)(=O)n2cccc2C1=O
2472 Clc1ccc2NC(=O)c3cccn3S(=O)(=O)c2c1
2473 CN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O
2474 CCN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O
2475 Clc1ccc2N(CC=C)C(=O)c3cccn3S(=O)(=O)c2c1
2476 C\C=C/CN1c2ccc(Cl)cc2S(=O)(=O)n2cccc2C1=O
2477 O=C1Nc2ccccc2Sn2cccc12
2478 CN(C)CCCN1CC(=O)n2c3ccccc3n(C)n3cccc3c2=C1O |c:27|
2479 Cn1c2ccccc2n2C(=O)CN(CCN3CCCCC3)C(O)=c2c2cccn12 |c:24|
2480 Cn1c2ccccc2n2C(=O)CN(CCN3CCOCC3)C(O)=c2c2cccn12 |c:24|
2481 Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
2482 Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O
2483 FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
2484 [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1
2485 Fc1cccc(F)c1Cc1cc(=O)[nH]c(NC2CCCC2)n1
2486 Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O
2487 CC(c1cc(=O)[nH]c(NC2CCCC2)n1)c1c(F)cccc1F
2488 CC(c1nc(NC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F
2489 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
2491 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O |r|
2492 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
2493 Oc1cc(oc(=O)c1CSc1ccccc1)-c1ccccc1
2494 Oc1cc(oc(=O)c1C(Sc1ccccc1)c1ccccc1)-c1ccccc1
2495 Oc1cc(oc(=O)c1C(Sc1ccccc1)c1ccc2ccccc2c1)-c1ccccc1
2496 Oc1cc(oc(=O)c1C(Sc1ccccc1)C1CCCCC1)-c1ccccc1
2497 CC(C)CC(Sc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1
2498 CC(C)CCC(Sc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1
2499 Oc1cc(oc(=O)c1C(Sc1ccc2ccccc2c1)c1ccccc1)-c1ccccc1
2500 Oc1cc(oc(=O)c1C(SCc1ccccc1)c1ccccc1)-c1ccccc1
2501 CC(C)CC(SCc1ccccc1)c1c(O)cc(oc1=O)-c1ccccc1
2502 Oc1cc(oc(=O)c1C(CC1CC1)SCc1ccccc1)-c1ccccc1
2503 Oc1cc(oc(=O)c1C(SC1CCCCC1)c1ccccc1)-c1ccccc1
2504 CC(C)CC(SC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
2505 Oc1cc(oc(=O)c1C(CC1CC1)SC1CCCCC1)-c1ccccc1
2506 Oc1cc(oc(=O)c1C(CC1CCCC1)SC1CCCCC1)-c1ccccc1
2507 CC(C)(C)CC(SC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
2508 CC(C)CC(SCC1CCCCC1)c1c(O)cc(oc1=O)-c1ccccc1
2509 Oc1cc(oc(=O)c1C(SC1CCCC1)C1CCCC1)-c1ccccc1
2510 CC(C)CC(SC1CCCC1)c1c(O)cc(oc1=O)-c1ccccc1
2511 Oc1cc(oc(=O)c1C(CC1CC1)SC1CCCC1)-c1ccccc1
2512 Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
2513 Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1O)C(C)(C)C
2514 Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1OCCO)C(C)(C)C
2515 Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
2516 COc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)cc1C)C(C)(C)C
2517 Cc1ccc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
2518 Cc1ccc(c(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)c2ccccc2)c1)C(C)(C)C
2519 Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(O)cc2)c1)C(C)(C)C
2520 Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(N)cc2)c1)C(C)(C)C
2521 Cc1ccc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c1)C(C)(C)C
2522 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=O)=NC |r|
2523 Cc1cc(SC2C(=O)CC(CCc3cccc(O)c3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
2524 Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
2525 Cc1cc(SC2C(=O)CC(CCc3cccc(N)c3)(OC2=O)c2ccccc2)c(cc1CO)C(C)(C)C
2526 Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c(cc1CO)C(C)(C)C
2527 Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c(cc1OCCO)C(C)(C)C
2528 Cc1cc(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)c(cc1O)C(C)(C)C
2529 COCc1cc(c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccc(OCCO)cc2)cc1C)C(C)(C)C
2530 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)c2ccc(O)cc2)c(cc1CO)C(C)(C)C
2531 COc1ccc(cc1)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2532 Cc1cc(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)c(cc1CO)C(C)(C)C
2533 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2534 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1CO)C(C)(C)C
2535 Cc1cc(SC2C(=O)CC(CCc3ccc(N)cc3)(OC2=O)C2CCCCC2)c(cc1CO)C(C)(C)C
2536 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
2537 COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=O)=NC |r|
2538 Cc1cc(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)c(cc1OS(N)(=O)=O)C(C)(C)C
2539 CCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C
2540 CCCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C
2541 CN(C)S(=O)(=O)Oc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C
2542 CN1CCN(CC1)S(=O)(=O)Oc1cc(c(SC2C(=O)CC(C)(CCc3ccc(O)cc3)OC2=O)cc1C)C(C)(C)C
2543 CNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
2544 COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
2545 CCCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C(C)C)cc1C)C(C)(C)C
2546 C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
2547 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N3CCN(C)CC3)cc2C(C)(C)C)C(=O)O1
2548 CC(C)C1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N3CCOCC3)cc2C(C)(C)C)C(=O)O1
2549 CCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)cc1C)C(C)(C)C
2550 CN(C)S(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)cc1C)C(C)(C)C
2551 CN1CCN(CC1)S(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)C2CCCCC2)cc1C)C(C)(C)C
2552 CCNS(=O)(=O)Oc1cc(c(SC2C(=O)CC(CCc3ccc(O)cc3)(OC2=O)c2ccccc2)cc1C)C(C)(C)C
2553 C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
2554 COC[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@@H](C)O |r|
2555 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N3CCN(C)CC3)cc2C(C)(C)C)C(=O)O1
2556 COC[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@H](C)O |r|
2557 CC(C)C1(CCc2ccccc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)N3CCN(C)CC3)cc2C(C)(C)C)C(=O)O1
2558 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1 |r|
2559 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
2560 OC(=O)c1cc(nc2cc(O)ccc12)-c1ccc(Cl)cc1
2561 OC(=O)c1cc(O)c(O)cc1C(=O)c1cc(Cl)ccc1Cl
2562 OC(=O)c1ccccc1-c1ccccc1C(=O)Cc1ccc(cc1)C(=O)CCc1ccc(Br)cc1
2563 Clc1cccc(Cc2cc(=O)[nH][nH]2)c1
2564 OC(COC(=O)CCCCC1CCCCC1)C1OC(=O)C(O)C1=O
2565 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 |r|
2566 Oc1c(Cc2ccccc2)c(=O)oc2ccccc12
2567 Oc1cc(oc(=O)c1Sc1ccccc1)-c1ccccc1
2568 Oc1cc(oc(=O)c1SCc1ccccc1)-c1ccccc1
2569 Oc1cc(oc(=O)c1SCCc1ccccc1)-c1ccccc1
2570 Oc1ccc(cc1)-c1cc(O)c(SCCc2ccccc2)c(=O)o1
2571 CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccccc1
2572 OC(=O)COc1ccc(cc1)-c1cc(O)c(SCCc2ccccc2)c(=O)o1
2573 Cc1ccccc1Sc1c(O)cc(oc1=O)-c1ccccc1
2574 CC(C)(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccccc1
2575 Cc1cccc(c1)-c1cc(O)c(Sc2ccccc2C(C)(C)C)c(=O)o1
2576 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
2577 CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1 |r|
2578 C[C@@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
2580 COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
2581 O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
2582 CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
2583 O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
2584 [H][C@]1(C(=O)NC(=O)[C@@]1([H])c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |r|
2585 [H][C@]1(C(=O)NC(=O)[C@]1([H])c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |r|
2586 O=C1NCC(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
2587 OC1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
2588 O=C1OC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:5|
2589 ON1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
2590 Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
2591 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
2592 Cn1cc(C2=C(C(=O)NC2=O)c2cn(Cc3ccccc3)c3ccccc23)c2ccccc12 |t:4|
2593 CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
2594 Cn1cc(C2=C(C(=O)NC2=O)c2cn(-c3ccccc3)c3ccccc23)c2ccccc12 |t:4|
2595 Cn1cc(C2=C(C(=O)NC2=O)c2cc3ccccc3n2C)c2ccccc12 |t:4|
2596 Cn1cc(C2=C(C(=O)NC2=O)n2ccc3ccccc23)c2ccccc12 |t:4|
2597 Cn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:4|
2598 Cn1cc(C2=C(C(=O)NC2=O)c2ccc3ccccc3c2)c2ccccc12 |t:4|
2599 Cn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12 |t:4|
2600 Cn1cc(C2=C(C(=O)NC2=O)c2coc3ccccc23)c2ccccc12 |t:4|
2601 Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2)c2ccccc12 |t:4|
2602 Cn1cc(C2=C(C(=O)NC2=O)c2cc[nH]c2)c2ccccc12 |t:4|
2603 Cn1cc(C2=C(C(=O)NC2=O)c2ccsc2)c2ccccc12 |t:4|
2604 Cn1cc(C2=C(C(=O)NC2=O)c2cccs2)c2ccccc12 |t:4|
2605 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
2606 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(Cl)cc23)c2ccccc12 |t:4|
2607 Cc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:9|
2608 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(N)cc23)c2ccccc12 |t:4|
2609 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(O)cc23)c2ccccc12 |t:4|
2610 COc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:10|
2611 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(OCc4ccccc4)cc23)c2ccccc12 |t:4|
2612 CSc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:10|
2613 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(cc23)S(C)=O)c2ccccc12 |t:4|
2614 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(cc23)[N+]([O-])=O)c2ccccc12 |t:4|
2615 COC(=O)c1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
2616 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(cc23)C(O)=O)c2ccccc12 |t:4|
2617 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccc(cc23)C(N)=O)c2ccccc12 |t:4|
2618 CC(=O)Nc1ccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c2c1 |t:12|
2619 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(Cl)ccc23)c2ccccc12 |t:4|
2620 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(N)ccc23)c2ccccc12 |t:4|
2621 COc1ccc2c(cn(C)c2c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:14|
2622 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(ccc23)[N+]([O-])=O)c2ccccc12 |t:4|
2623 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(ccc23)C(O)=O)c2ccccc12 |t:4|
2624 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cc(ccc23)C(N)=O)c2ccccc12 |t:4|
2625 CC(=O)Nc1ccc2c(cn(C)c2c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:16|
2626 Cc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:13|
2627 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3c(N)cccc23)c2ccccc12 |t:4|
2628 COc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:14|
2629 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3c(cccc23)[N+]([O-])=O)c2ccccc12 |t:4|
2630 CC(=O)Nc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:16|
2631 Cc1cccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c12 |t:10|
2632 COc1cccc2n(C)cc(C3=C(C(=O)NC3=O)c3cn(C)c4ccccc34)c12 |t:11|
2633 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3cccc([N+]([O-])=O)c23)c2ccccc12 |t:4|
2634 Cc1c(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc2n1C |t:3|
2635 CSc1c(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc2n1C |t:4|
2636 Cn1cc(C2=C(C(=O)NC2=O)c2c(n(C)c3ccccc23)S(C)=O)c2ccccc12 |t:4|
2637 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2)c2ccccc12 |t:4|
2638 COc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|
2639 CSc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|
2640 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12 |t:4|
2641 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(N)cc2)c2ccccc12 |t:4|
2642 Cc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:8|
2643 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(Cl)c2)c2ccccc12 |t:4|
2644 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(Br)c2)c2ccccc12 |t:4|
2645 COc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|
2646 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(Oc3ccccc3)c2)c2ccccc12 |t:4|
2647 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(N)c2)c2ccccc12 |t:4|
2648 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(c2)[N+]([O-])=O)c2ccccc12 |t:4|
2649 Cn1cc(C2=C(C(=O)NC2=O)c2cccc(c2)C(F)(F)F)c2ccccc12 |t:4|
2650 Cc1ccccc1C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:8|
2651 Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2Cl)c2ccccc12 |t:4|
2652 Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2[N+]([O-])=O)c2ccccc12 |t:4|
2653 Cn1cc(C2=C(C(=O)NC2=O)c2ccccc2C(F)(F)F)c2ccccc12 |t:4|
2654 Cc1cccc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c1C |t:6|
2655 Cc1ccc(C)c(c1)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:9|
2656 Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)cccc2Cl)c2ccccc12 |t:4|
2657 Cn1cc(C2=C(C(=O)NC2=O)c2cc(Cl)cc(Cl)c2)c2ccccc12 |t:4|
2658 Cn1cc(C2=C(C(=O)NC2=O)c2c(Cl)ccc(Cl)c2Cl)c2ccccc12 |t:4|
2659 CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
2660 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)(C)C
2661 CCCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1ncccc1NC(C)C
2662 CC(C)Nc1ccnnc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
2663 CC(C)Nc1ccc(Cl)nc1N(C)C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
2664 CN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
2665 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)C
2666 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(Cl)ccc1NC(C)(C)C
2667 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
2668 CCN(C1CCN(CC1)C(=O)c1cc2cc(NC(=O)N3CCN(C)CC3)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
2669 CCN(C1CCN(CC1)C(=O)c1cc2cc(NS(=O)(=O)N3CCN(C)CC3)ccc2[nH]1)c1nc(F)ccc1NC(C)(C)C
2670 C[C@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
2671 CC(C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
2672 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
2673 CS(=N)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
2674 CCC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
2675 CC(C)(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
2676 O=C1NC(=O)C(C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
2677 CCSc1cnc(cn1)C(=O)Nc1cccc(c1)[C@]1(C)CCSC(N)=N1 |r,c:26|
2678 FC(F)(F)c1ccc(CNC(=O)c2cnc(nc2N2CC[C@@H](C2)S(=O)(=O)c2ccccc2C(F)(F)F)C#N)cc1 |r|
2679 Cc1[nH]c2ccccc2c1C1=C(C(=O)NC1=O)c1c(C)[nH]c2ccccc12 |t:12|
2680 Oc1ccc2c(c[nH]c2c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:12|
2681 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9|
2682 COCCn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN(C)C)c3ccccc23)c2ccccc12 |t:7|
2683 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
2684 CN(C)CCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
2685 O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCC2CCCCN2)c2ccccc12 |c:5|
2686 O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCNCC2)c2ccccc12 |c:5|
2687 COC(=O)CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
2688 COCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
2689 CN(C)CCCn1cc(C2=C(CNC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
2690 CC(CN(C)C)Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:10|
2691 NCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
2692 CN1CCCC(Cn2cc(C3=C(C(=O)NC3=O)c3c[nH]c4ccccc34)c3ccccc23)C1 |t:10|
2693 O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1cn(CCCN2CCOCC2)c2ccccc12 |c:5|
2694 CN1CCCC1CCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:12|
2695 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN)c3ccccc23)c2ccccc12 |t:4|
2696 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCn3c3ccccc23)c2ccccc12 |t:4|
2697 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCCn3c3ccccc23)c2ccccc12 |t:4|
2698 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCCCn3c3ccccc23)c2ccccc12 |t:4|
2699 Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)Cn3c3ccccc23)c2ccccc12 |t:4|
2700 Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)CCn3c3ccccc23)c2ccccc12 |t:4|
2701 Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CCN)CCn3c3ccccc23)c2ccccc12 |t:4|
2702 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(CN)Cn3c3ccccc23)c2ccccc12 |t:4|
2703 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(CCN)Cn3c3ccccc23)c2ccccc12 |t:4|
2704 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(CN)CCn3c3ccccc23)c2ccccc12 |t:4|
2705 CN(C)CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:12|
2706 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCCC(CN)Cn3c3ccccc23)c2ccccc12 |t:4|
2707 Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(CN)CCCn3c3ccccc23)c2ccccc12 |t:4|
2708 Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(N)CCn3c3ccccc23)c2ccccc12 |t:4|
2709 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(N)Cn3c3ccccc23)c2ccccc12 |t:4|
2710 Cn1cc(C2=C(C(=O)NC2=O)c2c3CCC(N)CCn3c3ccccc23)c2ccccc12 |t:4|
2711 Cn1cc(C2=C(C(=O)NC2=O)c2c3CNCCn3c3ccccc23)c2ccccc12 |t:4|
2712 CNCC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(C)c3ccccc13)c1ccccc21 |t:11|
2713 Cn1cc(C2=C(C(=O)NC2=O)c2c3CC(C[N+](C)(C)C)CCn3c3ccccc23)c2ccccc12 |t:4|
2714 Cn1cc(C2=C(C(=O)NC2=O)c2c3C[C@@H](CN)CCn3c3ccccc23)c2ccccc12 |r,t:4|
2715 Cn1cc(C2=C(C(=O)NC2=O)c2c3C[C@H](CN)CCn3c3ccccc23)c2ccccc12 |r,t:4|
2716 CN(C)c1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1F
2717 COc1ccc(OC)c(CCNC(=O)Nc2ccc(Cl)cn2)c1F
2718 CC(CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccccc1C(F)(F)F)C#N)c1ccc(Cl)cc1 |r|
2719 COc1c(CCNC(=O)Nc2ccc(Cl)cn2)c(F)ccc1C(C)=O
2720 COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1
2721 CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F
2722 CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1F
2723 CCOc1ccc(Cl)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1F
2724 FC(F)(F)CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccccc1C(F)(F)F)C#N |r|
2725 CCOc1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1Cl
2726 FC(F)(F)c1cc(nc(n1)C#N)N1CC[C@@H](C1)S(=O)(=O)c1ccc(cc1Cl)-n1ccnc1 |r|
2727 Oc1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1Cl
2728 CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Cl)cn2)c1O
2729 CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O
2730 CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O
2731 CC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(Br)cn2)c1O
2732 CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r|
2733 CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Br)cn2)c1O |r|
2734 CCC(=O)c1ccc(F)c([C@H]2C[C@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|
2735 CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2NC(=O)Nc2ccc(Cl)cn2)c1O |r|
2736 FC(F)(F)c1ccc(CNC(=O)c2cnc(nc2N2CC[C@@H](C2)S(=O)(=O)c2cccc(Cl)c2Cl)C#N)cc1 |r|
2737 COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |r|
2738 FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CCN(C1)c1nc(ncc1C(=O)NCC1(CC1)c1ccc(Cl)cc1)C#N |r|
2739 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2740 COC(=O)c1cc(cc(Br)c1OC)C(=C)c1cc(Br)c(OC)c(c1)C(=O)OC
2741 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]\[#6])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2742 [#6]-[#8]\[#6]=[#6](\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2743 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2744 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2745 CCCCCC1OC1(c1cc(Br)c(OC)c(c1)C(=O)OC)c1cc(Br)c(OC)c(c1)C(=O)OC
2746 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2747 [#6]-[#8]-[#6](=O)\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2748 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6](=O)-[#8]C([#6])([#6])[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2749 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2750 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#8]S([#6])(=O)=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2751 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2752 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#7])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2753 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2754 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]-[#8])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2755 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2756 [#6]-[#8]-c1c(Cl)cc(cc1-[#6](-[#8])=O)-[#6](=[#6]\[#6]-[#6]-[#6]-[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O
2757 [#6]-[#8]-c1c(Cl)cc(cc1-[#6](-[#8])=O)-[#6](=[#6]\[#6]-[#6](-[#8])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O
2758 [#6]C1([#6])[#8]-[#6](=O)-c2cc(cc(Cl)c2-[#8]1)-[#6](=[#6]/[#6]-[#6]-[#8])\c1cc(Cl)c2-[#8]C([#6])([#6])[#8]-[#6](=O)-c2c1
2759 [#6]C1([#6])[#8]-[#6](=O)-c2cc(cc(Cl)c2-[#8]1)-[#6](=[#6]/[#6]-[#6]Br)\c1cc(Cl)c2-[#8]C([#6])([#6])[#8]-[#6](=O)-c2c1
2760 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1ccc(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1ccc(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2761 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(I)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(I)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2763 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(F)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(F)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2764 O=C1CCCC2=C1C1(CCS(=O)(=O)C1)N=C(Nc1nc3ccccc3o1)N2 |c:5,t:16|
2765 [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2766 Fc1ccc(cc1)C1(CC1)NC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1cccc(Cl)c1Cl)C#N |r|
2767 Fc1ccc(cc1)C1(CC1)NC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccccc1C(F)(F)F)C#N |r|
2768 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]C#C)\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2769 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6]=[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2770 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6]=[#6])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2771 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-c1ccccc1)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2772 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-c1ccccc1)\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2773 FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CCN(C1)c1nc(ncc1C(=O)NC1CC1c1ccccc1)C#N |r|
2774 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2775 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2776 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6](=O)-[#8]-[#6])c(-[#8]-[#6])c(c1)C(F)(F)F)-c1cc(-[#6](=O)-[#8]-[#6])c(-[#8]-[#6])c(c1)C(F)(F)F
2777 [#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2778 [#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2779 [#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2780 [#6]-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2781 [#6]-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2782 [#6]-[#6]-[#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2783 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](-[#6])-[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2784 [#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](-[#6])-[#6])\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2785 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](-[#6])-[#6])\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2786 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#7](-[#6])-[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2787 [#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#7](-[#6])-[#6])\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2788 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2789 [#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2790 [#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6]-[#6][Si]([#6])([#6])[#6])\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2791 [#6]-[#8]-[#6](-[#6]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-[#8]-[#6]
2792 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-[#6](-[#6])=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2793 [#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2794 [#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2795 [#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2796 [#6]-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2797 [#6]-[#6]-[#8]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2798 [#6]-[#6]-[#7]-[#6](=O)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2799 [#6]-[#7]-[#6](=S)-[#7]-[#6]-[#6]\[#6]=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2800 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-[#6](-[#6])-[#6])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2801 [#6]-[#8]-[#6](=O)-c1cc(cc(-[#6])c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-[#6](-[#6])-[#6])\c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2802 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-1=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2803 [#6]-[#8]-[#6](=O)-c1cc(cc(Br)c1-[#8]-[#6])-[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#8]-[#6]-1=O)\c1cc(Br)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2804 FC(F)(F)CN1Cc2nc(nc(N3CC[C@@H](C3)S(=O)(=O)c3ccc(cc3Cl)-n3cccn3)c2C1)C#N |r|
2805 FC(F)(F)CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccc(cc1Cl)-n1ccnc1)C#N |r|
2806 FC(F)(F)COc1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1nc(nc2CN(CC(F)(F)F)Cc12)C#N |r|
2807 COC(=O)CCC\C=C(\c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(Cl)c(OC)c(c1)C(=O)OC
2808 COC(=O)CCC\C=C(\c1ccc(OC)c(c1)C(=O)OC)c1cc(Cl)c(OC)c(c1)C(=O)OC
2809 COC(=O)CCC\C=C(\c1ccc(OC)c(OC)c1)c1cc(C)c(OC)c(c1)C(=O)OC
2810 COC(=O)CCC\C=C(\c1ccc(OC)c(OC)c1)c1cnccn1
2811 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1ccc(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1ccc(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2812 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1ccc(-[#8]-[#6])c(Cl)c1)-c1ccc(-[#8]-[#6])c(Cl)c1
2813 COC(=O)CCC\C=C/c1cc(C)c(OC)c(c1)C(=O)OC
2814 COC(=O)CCC\C=C\c1cc(C)c(OC)c(c1)C(=O)OC
2815 COC(=O)CCCCCc1cc(C)c(OC)c(c1)C(=O)OC
2816 COC(=O)CCCCC(=O)c1cc(C)c(OC)c(c1)C(=O)OC
2817 COC(=O)CCCC#Cc1cc(C)c(OC)c(c1)C(=O)OC
2818 COC(=O)CCC\C(=C/c1ccc(OC)c(Cl)c1)c1ccc(OC)c(Cl)c1
2819 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2820 [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2821 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(-[#6])c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2822 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2823 [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2824 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2825 [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:19|
2826 [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
2827 CCOC(=O)N1CCC(CC1)C(c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c(OC)c(c1)C(=O)OC
2828 COC(=O)N1CCC(CC1)C(c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c(OC)c(c1)C(=O)OC
2829 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O)-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O
2830 [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O)-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8])=O
2831 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8-])=O)-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8-])=O
2832 [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8-])=O)-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](-[#8-])=O
2833 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1cc(Cl)c2-[#8]C([#6])([#6])[#8]-[#6](=O)-c2c1)-c1cc(Cl)c2-[#8]C([#6])([#6])[#8]-[#6](=O)-c2c1
2834 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1cc(Cl)c(-[#8])c(c1)-[#6](-[#8])=O)-c1cc(Cl)c(-[#8])c(c1)-[#6](-[#8])=O
2835 NC(=O)[C@@H]1C[C@@H](CN1c1ccnc(n1)C#N)S(=O)(=O)c1ccccc1C(F)(F)F |r|
2836 [#6]-[#8]-[#6](=O)-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2837 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-1-[#8]-[#6]-[#6]-[#8]-1)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2838 [#6]-[#8]-[#6](=O)-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2839 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]Br)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2840 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]Cl)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2841 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]-[#7]=[N+]=[#7-])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2842 [#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2843 [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]=O)\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2844 [#6]-[#8]-[#6](=O)-[#6]-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2845 [#6]-[#6]-[#6](=O)-[#6]-[#6]-[#6]\[#6]=[#6](\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6])-c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
2846 CCC(CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 |w:6.5|
2847 CCC(CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(C=O)c1)C1OCCO1 |w:6.5|
2848 COC(=O)CCCCC(c1cc(Cl)c(OC)c(c1)C(=O)OC)c1cc(Cl)c(OC)c(c1)C(=O)OC
2849 Clc1cc(ccc1S(=O)(=O)[C@H]1CCN(C1)c1nccc(n1)C#N)N1CCN2CCC[C@H]2C1 |r|
2850 FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CCN(C1)c1nccc(n1)C#N |r|
2851 Clc1ccc(NS(=O)(=O)NCCc2ccccc2)nc1
2852 Clc1ccc(NC(NC#N)=NCCc2ccccc2)nc1 |w:10.10|
2853 Clc1ccc(NC(=S)NCCc2ccccc2)nc1
2854 COc1ccccc1CCN=C(NC#N)Nc1nccs1 |w:10.10|
2855 COc1ccccc1CCNC(=S)Nc1nccs1
2856 NC(Nc1ccc(Br)cn1)=N[C@@H]1C[C@@H]1c1ccccc1 |r,w:1.0|
2857 Brc1ccc(NC(=S)N[C@@H]2C[C@@H]2c2ccccc2)nc1 |r|
2858 CCOc1ccc(F)c(CCN=C(N)Nc2ccc(Br)cn2)c1Cl |w:11.10|
2859 CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
2860 CCOc1ccc(F)c(CCNC(=O)Nc2ccc(Br)cn2)c1Cl
2861 Brc1ccc(NC(=S)NCCC(=O)c2ccccc2)nc1
2862 Fc1ccccc1C(=O)CCNC(=S)Nc1ccc(Br)cn1
2863 Clc1ccccc1C(=O)CCNC(=S)Nc1ccc(Br)cn1
2864 COc1ccccc1C(=O)CCNC(=S)Nc1ccc(Br)cn1
2865 Fc1ccccc1C(=O)CCNC(=O)Nc1ccc(Br)cn1
2866 COc1cccc(c1)C(=O)CCNC(=S)Nc1ccc(Br)cn1
2867 Fc1ccc(cc1)C(=O)CCNC(=S)Nc1ccc(Br)cn1
2868 Fc1ccc(F)c(c1)C(=O)CCNC(=S)Nc1ccc(Br)cn1
2869 Fc1cccc(F)c1C(=O)CCNC(=S)Nc1ccc(Cl)cn1
2870 Fc1cccc(F)c1C(=O)CCNC(=S)Nc1ccc(Br)cn1
2871 CC(C)(C)N1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1nc(ncc1C(=O)NCC(F)(F)F)C#N |r|
2872 CCC#CC1(NC(=O)Nc2ccc(F)c(F)c12)C(F)(F)F
2873 Fc1cccc2NC(=O)NC(C#CC3CC3)(c12)C(F)(F)F
2874 CC(C)C#CC1(NC(=O)Nc2ccc(F)c(Cl)c12)C(F)(F)F
2875 FC(F)(F)C1(NC(=O)Nc2cccc(Cl)c12)C#CC1CC1
2876 Fc1ccc2NC(=O)NC(C#CC3CC3)(c2c1F)C(F)(F)F
2877 CC(C)C#CC1(NC(=O)Nc2ccc(F)c(F)c12)C(F)(F)F
2878 Fc1ccc2NC(=O)NC(C#CC3CC3)(c2c1)C(F)(F)F
2879 Fc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1F)C(F)(F)F
2880 CCC#CC1(NC(=O)Nc2ccc(F)cc12)C(F)(F)F
2881 Fc1ccc2NC(=O)NC(C#CC3CC3)(c2c1Cl)C(F)(F)F
2882 COc1ccc2NC(=O)NC(C#CC3CC3)(c2c1)C(F)(F)F
2883 Fc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1)C(F)(F)F
2884 Fc1c(Cl)ccc2NC(=O)NC(C#CC3CC3)(c12)C(F)(F)F
2885 Fc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1Cl)C(F)(F)F
2886 FC(F)(F)C1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
2887 COc1ccc2NC(=O)NC(C#CC(C)C)(c2c1)C(F)(F)F
2888 COc1ccc2NC(=O)NC(C#Cc3ccccc3)(c2c1)C(F)(F)F
2889 Fc1ccc2NC(=O)NC(C#Cc3ccccc3)(c2c1F)C(F)(F)F
2890 Fc1ccc2NC(=O)NC(C#Cc3ccccc3)(c2c1)C(F)(F)F
2891 FC(F)(F)C1(NC(=O)Nc2ccc(Cl)cc12)C#Cc1ccccn1
2892 CCC#CC1(NC(=O)Nc2ccc(Cl)cc12)C(F)(F)F
2893 FC(F)(F)C1(NC(=O)Nc2ccc(Cl)cc12)C#Cc1ccccc1
2894 CC(C)C#CC1(NC(=O)Nc2ccc(F)cc12)C(F)(F)F
2895 FC(F)(F)C1(NC(=O)Nc2ccc(Cl)c(Cl)c12)C#CC1CC1
2896 CC(C)C#CC1(NC(=O)Nc2ccc(Cl)cc12)C(F)(F)F
2897 COc1ccc2NC(=O)NC(C#Cc3ccccn3)(c2c1)C(F)(F)F
2898 FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
2899 FC(F)(F)[C@]1(NC(=O)Nc2ccc(Cl)cc12)\C=C\C1CC1 |r|
2900 FC(F)(F)C1(OCC(=O)Nc2ccc(Cl)cc12)C#Cc1ccccc1
2901 CCC#CC1(OCC(=O)Nc2ccc(Cl)cc12)C(F)(F)F
2902 CC(C)C#CC1(OCC(=O)Nc2ccc(Cl)cc12)C(F)(F)F
2903 FC(F)(F)C1(OCC(=O)Nc2ccc(Cl)cc12)C#Cc1ccoc1
2904 FC(F)(F)C1(OCC(=O)Nc2ccc(Cl)cc12)C#CC1CC1
2905 FC(F)(F)C1(OCC(=O)Nc2ccc(Cl)cc12)\C=C\C1CC1
2906 C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2907 C[C@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2908 CC[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2909 CCC[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2910 CC(C)[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2911 FC(F)(F)C[C@@H]1O[C@@](C#CC2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2912 C[C@@H]1O[C@@](\C=C\C2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2913 CC[C@@H]1O[C@@](\C=C\C2CC2)(c2cc(Cl)ccc2NC1=O)C(F)(F)F |r|
2914 C[C@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
2915 CC[C@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
2916 C[C@@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
2917 CC[C@@H]1O[C@@](C#CC2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
2918 C[C@@H]1O[C@@](\C=C\C2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
2919 CC[C@@H]1O[C@@](\C=C\C2CC2)(c2cc(F)ccc2NC1=O)C(F)(F)F |r|
2920 C[C@@H]1O[C@@](C#CC2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F |r|
2921 C[C@@H]1O[C@@](\C=C\C2CC2)(c2c(NC1=O)ccc(F)c2F)C(F)(F)F |r|
2922 FC(F)(F)C1(OC(=O)Nc2ccccc12)C#CC1CC1
2923 Fc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2924 CC(C)c1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2925 CN(C)c1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2926 FC(F)(F)Oc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2927 Fc1ccc2NC(=O)OC(C#CC3CC3)(c2c1F)C(F)(F)F
2928 Fc1ccc(F)c2c1NC(=O)OC2(C#CC1CC1)C(F)(F)F
2929 Fc1cc(F)c2NC(=O)OC(C#CC3CC3)(c2c1F)C(F)(F)F
2930 Fc1cc2NC(=O)OC(C#CC3CC3)(c2c(F)c1F)C(F)(F)F
2931 Fc1cc2c(NC(=O)OC2(C#CC2CC2)C(F)(F)F)c(F)c1F
2932 COc1cc(Cl)cc2c1NC(=O)OC2(C#CC1CC1)C(F)(F)F
2933 FC(F)(F)C1(OC(=O)Nc2c(Cl)cc(Cl)cc12)C#CC1CC1
2934 COc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2935 Fc1cc(Cl)cc2c1NC(=O)OC2(C#CC1CC1)C(F)(F)F
2936 FC(F)(F)C1(OC(=O)Nc2ccc(cc12)-c1ccccc1)C#CC1CC1
2937 Cc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2938 FC(F)(F)C1(OC(=O)Nc2cc3ccccc3cc12)C#CC1CC1
2939 Fc1cccc2NC(=O)OC(C#CC3CC3)(c12)C(F)(F)F
2940 CCC#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F
2941 CCCC#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F
2942 CC(C)C#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F
2943 [O-][N+](=O)c1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2944 CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
2945 CCCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
2946 CC(C)C#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
2947 Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2948 CCC#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F
2949 CCCC#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F
2950 CC(C)C#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F
2951 CNc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2952 CNc1ccc2NC(=O)OC(C#CC(C)C)(c2c1)C(F)(F)F
2953 CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
2954 CC(C)C#CC1(OC(=O)Nc2ccc(NC(C)=O)cc12)C(F)(F)F
2955 CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O |r|
2956 FC(F)(F)C1(C#CC2CC2)N(CC2CC2)c2ccccc2NC1=O
2957 FC(F)(F)C1(C#CC2CC2)N(CC=C)c2ccccc2NC1=O
2958 FC(F)(F)C1(C#CC2CC2)N(Cc2ccccc2)c2ccccc2NC1=O
2959 FC(F)(F)C1(C#CC2CC2)N(CC#C)c2ccccc2NC1=O
2960 FC(F)(F)C1(C#CC2CC2)N(CCC2CC2)c2ccccc2NC1=O
2961 Fc1ccc2NC(=O)C(C#CC3CC3)(N(CC=C)c2c1)C(F)(F)F
2962 Fc1ccc2NC(=O)C(C#CC3CC3)(N(CC3CC3)c2c1)C(F)(F)F
2963 FC(F)(F)C1(C#CC2CC2)N(CC2CC2)c2cc(Cl)ccc2NC1=O
2964 CC(C)CN1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2965 FC(F)(F)C1(C#CC2CC2)N(CC=C)c2cc(Cl)ccc2NC1=O
2966 COc1ccc2NC(=O)C(C#CC3CC3)(N(CC3CC3)c2c1)C(F)(F)F
2967 COc1ccc2NC(=O)C(C#CC3CC3)(N(CC=C)c2c1)C(F)(F)F
2968 CCOC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2969 CC(C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2970 CC(=C)OC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2971 CC(C)COC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2972 CCCCOC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2973 FC(F)(F)C1(C#CC2CC2)N(C(=O)OCC=C)c2ccccc2NC1=O
2974 COC(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2975 CCOC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2976 CC(C)OC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2977 CC(=C)OC(=O)N1c2cc(Cl)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2978 CCOC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2979 CC(C)OC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2980 CC(=C)OC(=O)N1c2cc(F)ccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2981 FC(F)(F)C1(C#CC2CC2)N(C(=O)C2CC2)c2ccccc2NC1=O
2982 CC(C)C(=O)N1c2ccccc2NC(=O)C1(C#CC1CC1)C(F)(F)F
2983 FC(F)(F)C1(C#CC2CC2)N(C(=O)c2ccccc2)c2ccccc2NC1=O
2984 FC(F)(F)[C@]1(CC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
2985 [H][C@]1(NC(=O)OC)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2986 [H][C@]1(NC(C)=O)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2987 [H][C@]1(O)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2988 [H][C@]1([#8]-[#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#7]-c2ccc(Cl)cc2[C@@]1(C#C[#6]-1-[#6]-[#6]-1)C(F)(F)F |r|
2989 [H][C@]1(OCC2CC2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2990 [H][C@]1(OCCC)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2991 [H][C@]1(OCc2ccccn2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2992 [H][C@]1(OCc2cccnc2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2993 [H][C@]1(OCc2ccncc2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2994 [H][C@]1(OCc2ccccc2F)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2995 [H][C@]1(OCc2cccc(F)c2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2996 [H][C@]1(OCc2ccc(F)cc2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2997 [H][C@]1(OCc2ccccc2N)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2998 [H][C@]1(OCc2cccc(N)c2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
2999 [H][C@]1(OCc2ccc(N)cc2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
3000 [H][C@]1(OCc2ccc(N)c(F)c2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
3001 [H][C@]1(NCc2ccccc2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
3002 [H][C@]1(OCc2ccccc2)C(=O)Nc2ccc(Cl)cc2[C@@]1(C#CC1CC1)C(F)(F)F |r|
3003 Nc1ncnc2n(nc(-c3ccccc3)c12)-c1ccccc1
3004 Nc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1
3005 Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12
3006 N(c1[nH]nc2ncnc(Nc3ccccc3)c12)c1ccccc1
3007 Clc1cccc(Nc2[nH]nc3ncnc(Nc4ccccc4)c23)c1
3008 Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
3009 Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Br)c4)c23)c1
3010 Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1
3011 COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
3012 Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
3013 COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
3014 Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
3015 CC(C)(C)OC(=O)Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
3016 Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
3017 CN(C)c1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
3018 Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1
3019 Clc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
3020 COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
3021 COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
3022 Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
3023 Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3024 COc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3025 Oc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3026 [O-][N+](=O)c1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3027 Nc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3028 CC(C)(C)OC(=O)Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3029 Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
3030 Clc1cccc(Nc2[nH]nc3ncnc(Oc4cccc(Cl)c4)c23)c1
3031 Clc1cccc(Nc2[nH]nc3ncnc(NCc4ccccc4)c23)c1
3032 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
3033 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCC#N)c3c12
3034 COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
3035 Cn1c2ccc(O)cc2c2c3C(=O)NCc3c3c4cc(O)ccc4n(CCC#N)c3c12
3036 CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
3037 COc1ccc2[nH]c3c(c4C(=O)NCc4c4c5cc(OC)ccc5n(CCCN(C)C)c34)c2c1
3038 CN(C)CCCn1c2ccc(O)cc2c2c3CNC(=O)c3c3c4cc(O)ccc4[nH]c3c12
3039 CN(C)CCCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
3040 Cn1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4n(CCCN)c3c12
3041 CN(C)CC(O)Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(C)c3c12
3042 COc1ccc2n(C)c3c(c4C(=O)NCc4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
3043 Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCC#N)c3c12
3044 COc1ccc2n(CCC#N)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(C)c34)c2c1
3045 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCC#N)c34)c2c1
3046 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5cc(OC)ccc5n(CCC#N)c34)c2c1
3047 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CCCC#N)c34)c2c1
3048 CN(C)CC(O)Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
3049 COc1ccc2n(C)c3c(c4C(=O)NC(=O)c4c4c5ccccc5n(CC(O)CN(C)C)c34)c2c1
3050 Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3051 CC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-10.82,-.43,;-9.48,.34,;-9.48,1.88,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3052 Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3053 Cn1c2nc(=O)[nH]cc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3054 CNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3055 CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3056 CC(C)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-9.48,-2.74,;-8.15,-1.97,;-6.82,-2.74,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3057 CCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-6.5,-5.16,;-7.59,-4.08,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3058 Cn1c2nc(NC3CCCCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3059 Cn1c2nc(NCCO)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.75,;-9.88,-4.23,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3060 Cn1c2nc(NCc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-10.82,-1.97,;-12.15,-2.74,;-12.15,-4.28,;-10.82,-5.05,;-9.48,-4.28,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3061 CN(C)c1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-8.15,-1.97,;-8.15,-.43,;-9.48,.34,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3062 CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-6.72,-6.82,;-8.2,-7.22,;-9.29,-6.13,;-10.38,-7.22,;-11.71,-6.45,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3063 Cn1c2nc(NCCCN3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-8.52,-4.79,;-9.18,-6.13,;-8.09,-7.22,;-8.49,-8.7,;-9.97,-9.1,;-11.06,-8.01,;-10.66,-6.53,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3064 CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1 |(-10.37,-10.59,;-9.97,-9.1,;-8.49,-8.7,;-8.09,-7.22,;-9.18,-6.13,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-10.66,-6.53,;-11.06,-8.01,)|
3065 CN1CCN(CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1 |(-8.54,-12.22,;-8.54,-10.68,;-7.27,-9.81,;-7.39,-8.28,;-8.78,-7.61,;-9.18,-6.13,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-10.05,-8.49,;-9.93,-10.02,)|
3066 CN1CCN(CCCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1 |(-9.18,-13.72,;-9.18,-12.18,;-7.84,-11.41,;-7.84,-9.87,;-9.18,-9.1,;-8.78,-7.61,;-9.18,-6.13,;-8.52,-4.79,;-8.92,-3.31,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-10.51,-9.87,;-10.51,-11.41,)|
3067 Cn1c2nc(NCc3ccccn3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-10.45,-3.09,;-11.4,-4.3,;-10.82,-5.73,;-9.3,-5.95,;-8.35,-4.73,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3068 Cn1c2nc(NCc3cccnc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-10.46,-3.31,;-11.23,-4.64,;-10.46,-5.97,;-8.92,-5.97,;-8.15,-4.64,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3069 Cn1c2nc(NCCc3ccccn3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-8.15,-4.64,;-8.9,-5.99,;-8.1,-7.31,;-6.56,-7.28,;-5.82,-5.93,;-6.61,-4.61,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3070 Cn1c2nc(NCCCCCC(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-8.92,-3.31,;-8.15,-4.64,;-8.92,-5.97,;-8.52,-7.46,;-9.61,-8.55,;-9.61,-10.09,;-10.94,-7.78,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3071 Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3072 CCn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.73,-3.06,;-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3073 Cn1c2nc(Nc3cccnc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3074 COc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cn1 |(-7.06,-7.68,;-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)|
3075 Cn1c2nc(Nc3ccncc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3076 CCn1c2nc(Nc3ccncc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.73,-3.06,;-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3077 Cn1c2nc(Nc3ccc(Cl)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3078 Cn1c2nc(Nc3cccc(Br)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-5.48,-5.05,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3079 Cc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)|
3080 COc1ccccc1Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-12.15,-2.74,;-10.82,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,)|
3081 COc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.15,-4.28,;-10.82,-5.05,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,)|
3082 COc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-7.06,-7.68,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3083 Cn1c2nc(Nc3cccc(O)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3084 Cn1c2nc(Nc3ccc(O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3085 Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3086 COc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1C |(-7.06,-7.68,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,;-10.82,-5.05,)|
3087 COc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc(OC)c1 |(-12.15,-4.28,;-10.82,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,;-5.48,-5.05,;-4.15,-4.28,;-8.15,-5.05,)|
3088 CCOC(=O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-14.82,-4.28,;-13.49,-5.05,;-12.15,-4.28,;-10.82,-5.05,;-10.82,-6.59,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,)|
3089 CCOC(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-4.15,-7.36,;-5.48,-6.59,;-6.82,-7.36,;-8.15,-6.59,;-9.48,-7.36,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3090 CCOC(=O)CCCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-.15,-6.59,;-1.48,-7.36,;-2.82,-6.59,;-4.15,-7.36,;-4.15,-8.9,;-5.48,-6.59,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,)|
3091 Cn1c2nc(Nc3ccc(OCCN)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-6.82,-7.36,;-6.82,-8.9,;-5.48,-9.67,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3092 CCNCCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-2.66,-9.3,;-4.15,-8.9,;-5.48,-9.67,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3093 CN(C)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-4.15,-8.9,;-5.48,-9.67,;-5.48,-11.21,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3094 CN(C)CCCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-4.15,-11.98,;-5.48,-11.21,;-6.82,-11.98,;-5.48,-9.67,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3095 CCN(CC)CCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-13.08,-10.99,;-11.59,-10.59,;-10.82,-9.26,;-9.48,-10.03,;-8.4,-8.94,;-11.59,-7.93,;-10.82,-6.59,;-10.82,-5.05,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,)|
3096 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3097 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-1.48,-2.74,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3098 CC[N+](C)(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-2.82,-5.05,;-2.82,-6.59,;-4.15,-7.36,;-2.82,-8.13,;-4.15,-8.9,;-5.48,-9.67,;-5.48,-6.59,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3099 CC[N+]([O-])(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-1.48,-7.36,;-2.82,-6.59,;-4.09,-7.36,;-2.82,-8.13,;-4.15,-8.9,;-5.48,-9.67,;-5.48,-6.59,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3100 Cn1c2nc(Nc3ccc(OCCN4CCCCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-6.82,-7.36,;-5.48,-6.59,;-4.15,-7.36,;-4.19,-8.9,;-2.88,-9.71,;-1.53,-8.98,;-1.48,-7.44,;-2.79,-6.63,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3101 CN1CCN(CC1)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.03,-11.21,;-8.03,-9.67,;-9.39,-8.95,;-9.45,-7.41,;-8.15,-6.59,;-6.79,-7.31,;-6.73,-8.85,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
3102 CN1CCN(Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1 |(-13.49,-9.67,;-12.15,-8.9,;-12.15,-7.36,;-10.82,-6.59,;-9.48,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,;-9.48,-8.9,;-10.82,-9.67,)|
3103 Cn1c2nc(Nc3cccc(c3)C(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-10.82,-5.05,;-12.15,-4.28,;-10.82,-6.59,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3104 Cn1c2nc(Nc3ccc(CC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-5.84,-7.93,;-8.15,-9.26,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3105 Cn1c2nc(Nc3ccc(CCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-8.15,-9.26,;-7.06,-10.35,;-5.57,-10.75,;-7.83,-11.68,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
3106 CN1C(=O)Nc2ccc(Cl)cc2C1(C#Cc1ccccn1)C1CC1
3107 Clc1ccc2NC(=O)NC(C#Cc3ccccn3)(C3CC3)c2c1
3108 Clc1ccc2NC(=O)NC(C#Cc3cccnc3)(C3CC3)c2c1
3109 Clc1ccc2NC(=O)NC(C#Cc3ccncc3)(C3CC3)c2c1
3110 Clc1ccc2NC(=O)NC(C#Cc3cnccn3)(C3CC3)c2c1
3111 Clc1ccc2NC(=O)NC(C#Cc3cncnc3)(C3CC3)c2c1
3112 Clc1ccc2NC(=O)NC(C#Cc3ncccn3)(C3CC3)c2c1
3113 [O-][N+](=O)c1ccnc(c1)C#CC1(NC(=O)Nc2ccc(Cl)cc12)C1CC1
3114 Clc1ccc2NC(=O)NC(C#Cc3ccccc3)(C3CC3)c2c1
3115 [O-][N+](=O)c1ccccc1C#CC1(NC(=O)Nc2ccc(Cl)cc12)C1CC1
3116 Clc1ccc2NC(=O)NC(C#Cc3ccccc3C#N)(C3CC3)c2c1
3117 Clc1ccc2NC(=O)NC(C#Cc3nccs3)(C3CC3)c2c1
3118 Clc1ccc2NC(=O)NC(C#Cc3ccco3)(C3CC3)c2c1
3119 CCc1cc(NCc2cccnc2OC)c(=O)[nH]c1C
3120 CC(CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccc(cc1Cl)N1CCN(CC1)C(C)(C)C)C#N)c1ccc(Cl)cc1 |r|
3121 CCc1cc(NCc2ccccc2OC)c(=O)[nH]c1C
3122 Clc1cc(ccc1S(=O)(=O)[C@H]1CCN(C1)c1nc(nc2CN(Cc12)C=O)C#N)-n1cccn1 |r|
3123 CCOc1ccccc1CNc1cc(CC)c(C)[nH]c1=O
3124 CCc1cc(NCc2ccccc2[N+]([O-])=O)c(=O)[nH]c1C
3125 CCc1cc(NCc2ccccc2C#N)c(=O)[nH]c1C
3126 CCc1cc(NCc2ccccc2F)c(=O)[nH]c1C
3127 CCc1cc(NCc2ccccc2Cl)c(=O)[nH]c1C
3128 CCc1cc(NCc2ccccc2SC)c(=O)[nH]c1C
3129 CCc1cc(NCc2ccccc2C)c(=O)[nH]c1C
3130 CCc1cc(NCc2ccccc2O)c(=O)[nH]c1C
3131 CCc1ccccc1CNc1cc(CC)c(C)[nH]c1=O
3132 CCc1cc(NCc2ccccc2C(F)(F)F)c(=O)[nH]c1C
3133 CCc1cc(NCc2ccccc2N)c(=O)[nH]c1C
3134 CCc1cc(NCc2ccccc2COC)c(=O)[nH]c1C
3135 CCc1cc(NCc2cccc(OC)c2)c(=O)[nH]c1C
3136 CCc1cc(NCc2ccc(OC)cc2)c(=O)[nH]c1C
3137 CCc1cc(NCc2ccncc2OC)c(=O)[nH]c1C
3138 CCc1cc(NCc2cnccc2OC)c(=O)[nH]c1C
3139 CCc1cc(NCc2ncccc2OC)c(=O)[nH]c1C
3140 CCc1cc(NCc2cccc(C)c2OC)c(=O)[nH]c1C
3141 CCc1cc(NCc2ccc(C)cc2OC)c(=O)[nH]c1C
3142 CCc1cc(NCc2cc(C)ccc2OC)c(=O)[nH]c1C
3143 CCc1cc(NCc2c(C)cccc2OC)c(=O)[nH]c1C
3144 CCc1ccc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)c1
3145 CCc1ccc(OC)c(CNc2cc(CC)c(C)[nH]c2=O)c1
3146 CCc1cc(CNc2cc(CC)c(C)[nH]c2=O)c(OC)cc1C
3147 CCc1cc(NCc2cc3CCCc3cc2OC)c(=O)[nH]c1C
3148 CCc1cc(NCc2cc(C)c(C)nc2OC)c(=O)[nH]c1C
3149 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3150 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3151 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3152 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3153 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3154 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1C2CCC(C2)C1NC(=O)c1ccc(O)cc1 |THB:22:23:25.26:28,30:29:25.26:28|
3156 CN1[C@@H]2CCC1C(NC(=O)c1ccc(O)cc1)[C@H](C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |r,TLB:19:17:3.4:1,0:1:3.4:6.17.18,THB:7:6:3.4:1|
3158 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC[N@@](CC2)CC1NC(=O)c1ccc(O)cc1 |wU:23.24,wD:27.28,(10.28,-8.36,;9.72,-9.8,;10.68,-11,;8.2,-10.03,;7.63,-11.46,;6.11,-11.69,;5.15,-10.49,;5.71,-9.05,;4.23,-8.64,;7.24,-8.82,;7.8,-7.39,;9.32,-7.16,;6.84,-6.18,;5.32,-6.41,;4.75,-7.85,;4.36,-5.21,;4.92,-3.78,;6.44,-3.55,;7.4,-4.75,;8.92,-4.52,;3.96,-2.57,;2.44,-2.8,;4.52,-1.14,;3.56,.06,;2.06,-.28,;.86,.68,;.86,2.22,;2.06,3.18,;2.35,2.03,;2.35,.88,;3.56,2.84,;4.23,1.45,;5.77,1.45,;6.54,2.79,;5.77,4.12,;8.08,2.79,;8.85,4.12,;10.39,4.12,;11.16,2.79,;12.7,2.79,;10.39,1.45,;8.85,1.45,)|
3159 null
3160 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
3161 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@H]1C2CC(C3CCCC23)[C@H]1NC(=O)c1ccc(O)cc1 |r|
3162 CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
3163 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCO)c3ccccc23)c2ccccc12 |t:4|
3164 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCO)c3ccccc23)c2ccccc12 |t:4|
3165 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCO)c3ccccc23)c2ccccc12 |t:4|
3166 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12 |t:4|
3167 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCN)c3ccccc23)c2ccccc12 |t:4|
3168 Fc1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1nc(ncc1C(=O)NCC(F)(F)F)C#N |r|
3169 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCN)c3ccccc23)c2ccccc12 |t:4|
3170 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCN)c3ccccc23)c2ccccc12 |t:4|
3171 CNCCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:8|
3172 OC[C@H]1C[C@@H](CN1c1ccnc(n1)C#N)S(=O)(=O)c1ccccc1C(F)(F)F |r|
3173 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCC[N+](C)(C)C)c3ccccc23)c2ccccc12 |t:4|
3174 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
3175 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
3176 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
3177 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
3178 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCN=C(N)N[N+]([O-])=O)c3ccccc23)c2ccccc12 |w:17.17,t:4|
3179 [#6]-n1cc(-[#6]-2=[#6](-[#6](=O)-[#7]-[#6]-2=O)-c2cn(-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c3ccccc23)c2ccccc12 |t:4|
3180 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCCC(N)=N)c3ccccc23)c2ccccc12 |t:4|
3181 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCNC(=O)c1ccc(O)cc1
3182 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCNCC1NC(=O)c1ccc(O)cc1
3183 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
3184 Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c2)[C@@H](C1)NC(=O)c1ccc(O)cc1 |r|
3185 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1
3186 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
3187 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
3188 CS(=O)(=O)NC(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1
3189 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NS(=O)(=O)c1ccc2ccccc2c1
3190 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccccc1
3191 CN(C)C(COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1)Cc1ccc(O)cc1
3192 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1
3193 CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
3194 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(Cc1ccc(O)cc1)NC(=O)c1ccc(O)cc1
3195 FC(F)(F)CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccc(cc1Cl)N1CCN(CC1)C1CC1)C#N |r|
3196 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
3197 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(COc1ccc(O)cc1)NS(=O)(=O)c1ccccc1
3198 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCCc1ccc(O)cc1
3199 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
3200 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1 |r|
3201 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
3202 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
3203 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1ccccc1 |r|
3204 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCCCc1ccc(O)cc1
3205 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
3206 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1Cc1ccc(O)cc1 |r|
3207 OC(=O)c1ccccc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3208 OC(=O)[C@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3209 OC(=O)[C@@H]1CCCC[C@H]1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3210 OC(=O)c1cccnc1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3211 Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r|
3212 Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1 |r|
3213 COc1cccc(OC)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3214 OC(=O)c1cccc2oc3cc(cc(O)c3c(=O)c12)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3215 Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1 |r|
3216 OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3217 OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3218 Cc1cc(cc(C)c1C(=O)c1c(O)cccc1C(O)=O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3219 COc1cc(cc(OC)c1C(=O)c1c(O)cccc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3220 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
3221 OC(=O)c1ccccc1NC(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3222 OC(=O)CN(C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1)c1ccccc1 |r|
3223 OC(=O)c1ccccc1-c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r,wU:20.21,wD:24.27,(13.02,-5.22,;14.53,-5.22,;14.9,-3.9,;16.02,-6.07,;17.35,-5.3,;18.68,-6.07,;18.68,-7.61,;17.35,-8.38,;16.02,-7.61,;14.83,-9.27,;13.29,-9.27,;12.61,-7.85,;12.52,-10.6,;13.29,-11.94,;14.83,-11.94,;15.6,-10.6,;17.07,-10.6,;12.55,-13.18,;13.24,-14.3,;10.93,-13.17,;9.82,-13.9,;8.35,-13.42,;7.45,-14.67,;8.35,-15.92,;9.82,-15.44,;11.15,-16.1,;11.94,-17.44,;11.25,-18.76,;13.54,-17.42,;14.31,-16.09,;15.85,-16.09,;16.62,-17.42,;17.94,-17.42,;15.85,-18.76,;14.31,-18.76,)|
3224 OC(=O)c1cccc(O)c1-c1ccc(cc1)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3225 OC(=O)c1cccc(O)c1Cc1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3226 Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C2OC(=O)c3cccc(O)c23)c(O)c1 |r|
3227 OC(=O)c1ccc2ccccc2c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3228 Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3ccccc23)c(O)c1 |r|
3229 Oc1ccc(cc1)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccc3ccccc3c2O)c(O)c1 |r|
3230 Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3CCCCc23)c(O)c1 |r|
3231 COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3232 Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C#N)c(O)c1 |r|
3233 NCCOc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3234 OC(=O)COc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3235 Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NS(=O)(=O)C(F)(F)F)c(O)c1 |r|
3236 CS(=O)(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3237 Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2NC(=O)C(F)(F)F)c(O)c1 |r|
3238 CC(=O)Nc1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3239 Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[nH]2)c(O)c1 |r|
3240 Cn1nnc(n1)-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3241 Cn1nnnc1-c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3242 Oc1ccc(cc1)C(=O)N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(c(O)c1)-c1n[nH]c(=O)c2cccc(O)c12 |r,wU:14.16,wD:10.10,(17.01,-18.03,;15.69,-18.03,;14.92,-16.69,;13.38,-16.69,;12.61,-18.03,;13.38,-19.36,;14.92,-19.36,;11.01,-18.04,;10.33,-19.36,;10.22,-16.71,;8.89,-16.04,;7.43,-16.52,;6.52,-15.27,;7.43,-14.03,;8.89,-14.5,;10,-13.77,;11.63,-13.78,;12.2,-14.92,;12.37,-12.54,;11.6,-11.2,;12.37,-9.87,;11.69,-8.45,;13.91,-9.87,;14.68,-11.2,;16.15,-11.21,;13.91,-12.54,;14.58,-8.54,;13.25,-7.77,;13.25,-6.23,;14.58,-5.46,;14.58,-4.03,;15.91,-6.23,;17.25,-5.46,;18.58,-6.23,;18.58,-7.77,;17.25,-8.54,;17.23,-9.96,;15.91,-7.77,)|
3243 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3244 CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3245 CCCCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3246 CC(C)COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3247 Oc1ccc(cc1)C(=O)N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)OCC2CCCCC2)c(O)c1 |r|
3248 CC(C)(C)C(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3249 CC(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3250 COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1CCCC1NC(=O)c1ccc(O)cc1
3251 COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1 |r|
3252 COC(=O)c1cccc(O)c1Oc1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3253 CCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3254 CC(C)OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1 |r|
3255 C(Cc1ccccc1)Nc1ncnc2ccccc12
3256 C(Nc1ncnc2ccccc12)c1ccccc1
3257 Clc1ccc(CNc2ncnc3ccccc23)cc1
3258 COc1ccc(CNc2ncnc3ccccc23)cc1
3259 N(c1ccccc1)c1ncnc2ccccc12
3260 CN(c1ccccc1)c1ncnc2ccccc12
3261 COc1cccc(Nc2ncnc3ccccc23)c1
3262 Cc1cccc(Nc2ncnc3ccccc23)c1
3263 Clc1cccc(Nc2ncnc3ccccc23)c1
3264 Brc1cccc(Nc2ncnc3ccccc23)c1
3265 Ic1cccc(Nc2ncnc3ccccc23)c1
3266 FC(F)(F)c1cccc(Nc2ncnc3ccccc23)c1
3267 N(c1cccnc1)c1ncnc2ccccc12
3268 Brc1cccc(Oc2ncnc3ccccc23)c1
3269 Brc1cccc(Nc2ccnc3ccccc23)c1
3270 Brc1cccc(Nc2nccc3ccccc23)c1
3271 Brc1cccc(Nc2cnnc3ccccc23)c1
3272 Brc1cccc(Nc2nncc3ccccc23)c1
3273 Brc1cccc(Nc2cnc3ccccc3n2)c1
3274 Brc1cccc(Nc2nnnc3ccccc23)c1
3275 [O-][N+](=O)c1cccc2ncnc(NCc3ccccc3)c12
3276 Nc1cccc2ncnc(NCc3ccccc3)c12
3277 COc1cccc2ncnc(NCc3ccccc3)c12
3278 [O-][N+](=O)c1ccc2ncnc(NCc3ccccc3)c2c1
3279 Nc1ccc2ncnc(NCc3ccccc3)c2c1
3280 COc1ccc2ncnc(NCc3ccccc3)c2c1
3281 [O-][N+](=O)c1ccc2c(NCc3ccccc3)ncnc2c1
3282 Nc1ccc2c(NCc3ccccc3)ncnc2c1
3283 COc1ccc2c(NCc3ccccc3)ncnc2c1
3284 [O-][N+](=O)c1cccc2c(NCc3ccccc3)ncnc12
3285 Nc1cccc2c(NCc3ccccc3)ncnc12
3286 COc1cccc2c(NCc3ccccc3)ncnc12
3287 COc1cc2c(NCc3ccccc3)ncnc2cc1O
3288 COc1cc2ncnc(NCc3ccccc3)c2cc1O
3289 COc1cc2ncnc(NCc3ccccc3)c2cc1OC
3290 [O-][N+](=O)c1cccc2ncnc(Nc3cccc(Br)c3)c12
3291 Nc1cccc2ncnc(Nc3cccc(Br)c3)c12
3292 COc1cccc2ncnc(Nc3cccc(Br)c3)c12
3293 [O-][N+](=O)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
3294 Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
3295 COc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
3296 [O-][N+](=O)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3297 Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3298 COc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3299 [O-][N+](=O)c1cccc2c(Nc3cccc(Br)c3)ncnc12
3300 Nc1cccc2c(Nc3cccc(Br)c3)ncnc12
3301 COc1cccc2c(Nc3cccc(Br)c3)ncnc12
3302 Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
3303 Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
3304 Nc1cc2ncnc(Nc3ccccc3)c2cn1
3305 Nc1cc2ncnc(Nc3ccccc3[N+]([O-])=O)c2cn1
3306 Nc1cc2ncnc(Nc3cccc(c3)[N+]([O-])=O)c2cn1
3307 Nc1cc2ncnc(Nc3ccc(cc3)[N+]([O-])=O)c2cn1
3308 Nc1cc2ncnc(Nc3ccccc3Br)c2cn1
3309 Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3310 Nc1cc2ncnc(Nc3ccc(Br)cc3)c2cn1
3311 Nc1cc2ncnc(Nc3ccccc3C(F)(F)F)c2cn1
3312 Nc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cn1
3313 Nc1cc2ncnc(Nc3ccc(cc3)C(F)(F)F)c2cn1
3314 COc1ccccc1Nc1ncnc2cc(N)ncc12
3315 COc1cccc(Nc2ncnc3cc(N)ncc23)c1
3316 COc1ccc(Nc2ncnc3cc(N)ncc23)cc1
3317 Nc1cc2ncnc(Nc3ccccc3N)c2cn1
3318 Nc1cccc(Nc2ncnc3cc(N)ncc23)c1
3319 Nc1ccc(Nc2ncnc3cc(N)ncc23)cc1
3320 CN(C)c1ccccc1Nc1ncnc2cc(N)ncc12
3321 CN(C)c1cccc(Nc2ncnc3cc(N)ncc23)c1
3322 CN(C)c1ccc(Nc2ncnc3cc(N)ncc23)cc1
3323 Nc1cc2ncnc(Nc3cccc(F)c3)c2cn1
3324 Nc1cc2ncnc(Nc3cccc(Cl)c3)c2cn1
3325 Nc1cc2ncnc(Nc3cccc(I)c3)c2cn1
3326 Nc1cc2ncnc(Nc3cccc(O)c3)c2cn1
3327 Cc1cccc(Nc2ncnc3cc(N)ncc23)c1
3328 Nc1cc2ncnc(Nc3cccnc3)c2cn1
3329 CC(=O)Nc1cccc(Nc2ncnc3cc(N)ncc23)c1
3330 CC(=O)Nc1ccc(Nc2ncnc3cc(N)ncc23)cc1
3331 Nc1cc2ncnc(NCc3ccccc3)c2cn1
3332 Nc1cc2ncnc(NCc3ccccc3[N+]([O-])=O)c2cn1
3333 Nc1cc2ncnc(NCc3cccc(c3)[N+]([O-])=O)c2cn1
3334 Nc1cc2ncnc(NCc3ccc(cc3)[N+]([O-])=O)c2cn1
3335 Nc1cc2ncnc(NCc3ccccc3Br)c2cn1
3336 Nc1cc2ncnc(NCc3cccc(Br)c3)c2cn1
3337 Nc1cc2ncnc(NCc3ccc(Br)cc3)c2cn1
3338 Nc1cc2ncnc(NCc3ccccc3C(F)(F)F)c2cn1
3339 Nc1cc2ncnc(NCc3cccc(c3)C(F)(F)F)c2cn1
3340 Nc1cc2ncnc(NCc3ccc(cc3)C(F)(F)F)c2cn1
3341 COc1ccccc1CNc1ncnc2cc(N)ncc12
3342 COc1cccc(CNc2ncnc3cc(N)ncc23)c1
3343 COc1ccc(CNc2ncnc3cc(N)ncc23)cc1
3344 Nc1cc2ncnc(NCc3ccccc3N)c2cn1
3345 Nc1cccc(CNc2ncnc3cc(N)ncc23)c1
3346 Nc1ccc(CNc2ncnc3cc(N)ncc23)cc1
3347 CN(C)c1ccccc1CNc1ncnc2cc(N)ncc12
3348 CN(C)c1cccc(CNc2ncnc3cc(N)ncc23)c1
3349 CN(C)c1ccc(CNc2ncnc3cc(N)ncc23)cc1
3350 CNC(=O)c1c(SSc2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
3351 NC(Cc1c(SSc2[nH]c3ccccc3c2CC(N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
3352 Cn1c([Se][Se]c2c(C(=O)OC(C)(C)C)c3ccccc3n2C)c(C(=O)OC(C)(C)C)c2ccccc12
3353 Cn1c([Se][Se]c2c(C(O)=O)c3ccccc3n2C)c(C(O)=O)c2ccccc12
3354 CNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
3355 CCN(CC)CCNC(=O)c1c([Se][Se]c2c(C(=O)NCCN(CC)CC)c3ccccc3n2C)n(C)c2ccccc12
3356 CNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NC)[nH]c2ccccc12
3357 CCN(CC)CCNC(=O)c1c([Se][Se]c2[nH]c3ccccc3c2C(=O)NCCN(CC)CC)[nH]c2ccccc12
3358 CCN(CC)CCn1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2CCN(CC)CC)c(C(=O)NC)c2ccccc12
3359 FC(F)(F)C(=O)N[C@H](Cc1c([Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
3360 FC(F)(F)C(=O)N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
3361 N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
3362 N[C@@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 |r|
3363 Cc1nc(CCCCCOC(=O)c2ccccc2)n2nc(Cl)ccc12
3364 Cc1nc(CCCCCOCc2ccccc2)n2nc(Cl)ccc12
3365 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12
3366 Cc1nc(CCCCCCCc2ccccc2)n2nc(Cl)ccc12
3367 Cc1nc(CCCCCC(=O)Cc2ccccc2)n2nc(Cl)ccc12
3368 Cc1nc(CCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12
3369 Cc1nc(CCCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12
3370 Cc1nc(CCCCCO)n2nc(Cl)ccc12
3371 CC(=O)OCCCCCc1nc(C)c2ccc(Cl)nn12
3372 Cc1nc(CCCCCOC(=O)C2CCCC2)n2nc(Cl)ccc12
3373 Cc1nc(CCCCCCC(O)c2ccccc2)n2nc(Cl)ccc12
3374 Clc1ccc2cnc(CCCCCCC(=O)c3ccccc3)n2n1
3375 CCc1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12
3376 CC(C)c1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12
3377 Cc1nc(CCCCCCC(=O)c2ccccc2)n2ncccc12
3378 COc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3379 CSc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3380 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(N)ccc12
3381 CNc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3382 CN(C)c1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3383 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)N1CCCC1
3384 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)N1CCCCC1
3385 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1cccc1
3386 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1ccnc1
3387 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1cccn1
3388 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1cncn1
3389 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1ccnn1
3390 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1cnnc1
3391 Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(ccc12)-n1nccn1
3392 Cc1cncn1-c1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3393 Cc1cn(cn1)-c1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3394 Cc1nccn1-c1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
3395 Cc1nc(CCCCCCC(O)c2ccccc2)n2nc(ccc12)-n1ccnc1
3396 CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1NC(=O)C(C)(C)C
3397 CC(C)(C)NC(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)NC(C)(C)C
3398 CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
3399 CC(C)(C)NC(=O)c1ccccc1SCC(O)c1ccccc1C(=O)NC(C)(C)C
3400 CC(C)(C)NC(=O)c1ccccc1NCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
3401 CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)NC(C)(C)C
3402 CC(C)(C)NC(=O)c1ccccc1CC(O)\C=C\c1ccccc1C(=O)NC(C)(C)C
3403 CC(C)(C)NC(=O)c1ccccc1CC(O)C#Cc1ccccc1C(=O)NC(C)(C)C
3404 CC(C)(C)NC(=O)C1CCCCN1CC(O)CCc1ccccc1C(=O)NC(C)(C)C
3405 CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H](O)CCc1ccc2ccccc2c1C(=O)NC(C)(C)C |r|
3406 CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)CCc1ccc2ccccc2c1C(=O)NC(C)(C)C |r|
3407 CC(C)N1CCC(CC(O)CCc2ccc3ccccc3c2C(=O)NC(C)(C)C)=C(C1)C(=O)NC(C)(C)C |c:30|
3408 CC(C)(C)NC(=O)c1ccccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C
3409 CC(C)(C)NC(=O)c1c(CCC(O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12
3410 CC(C)(C)NC(=O)c1c(CC[C@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12 |r|
3411 CC(C)(C)NC(=O)c1c(CC[C@@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12 |r|
3412 CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C)C(C)(C)C
3413 CC(C)(C)NC(=O)c1cc(ccc1CCC(O)Cc1ccc(cc1C(=O)NC(C)(C)C)C(C)(C)C)C(C)(C)C
3414 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |r|
3415 FC(F)(F)CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1Cl)C#N |r|
3416 CN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1nccc(n1)C#N |r|
3417 COCCN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1nccc(n1)C#N |r|
3418 Clc1cc(ccc1S(=O)(=O)[C@H]1CCN(C1)c1cncc(n1)C#N)N1CCN2CCC[C@H]2C1 |r|
3419 FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CCN(C1)c1cncc(n1)C#N |r|
3420 CC(C)(C)NC(=O)c1ccccc1SCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C
3421 CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)C
3422 CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1
3423 CC(C)(N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1)c1ccccc1
3424 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 |r|
3425 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(Cl)cc1C(=O)N(CCO)C(C)(C)c1ccccc1
3426 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1 |r|
3427 Clc1cc(ccc1S(=O)(=O)[C@H]1CCN(C1)c1cccc(n1)C#N)N1CCN2CCC[C@H]2C1 |r|
3428 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
3429 Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
3430 CCN(CC)CCCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
3431 CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)|
3432 Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1N |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,)|
3433 Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)|
3434 CCN(CC)CCCNc1ncc2cc(c(N)nc2n1)-c1c(C)cccc1C |(-14.11,.68,;-12.78,1.45,;-11.44,.68,;-11.44,-.86,;-12.78,-1.63,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;3.23,2.99,;3.23,1.45,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,)|
3435 CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(C)cccc1C |(-13.18,.33,;-11.84,1.1,;-10.51,.33,;-10.51,-1.21,;-9.18,-1.98,;-9.18,1.1,;-7.84,.33,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3436 Nc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br |(-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3437 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Br)cccc1Br |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-5.06,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3438 CCN(CC)CCCNc1ncc2cc(c(N)nc2n1)-c1c(Br)cccc1Br |(-13.18,.33,;-11.84,1.1,;-10.51,.33,;-10.51,-1.21,;-9.42,-2.3,;-9.18,1.1,;-7.84,.33,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3439 CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Br)cccc1Br |(-13.18,.33,;-11.84,1.1,;-10.51,.33,;-10.51,-1.21,;-9.42,-2.3,;-9.18,1.1,;-7.84,.33,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3440 Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1N |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,)|
3441 Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)|
3442 COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1N
3443 COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
3444 CCN(CC)CCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.34,.05,;-10.57,1.39,;-9.09,1.79,;-8.69,3.27,;-7.2,3.67,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3445 CCNC(=O)Nc1nc2nc(NCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.34,.05,;-8.69,3.27,;-7.2,3.67,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3446 CCN(CC)CCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.34,.05,;-10.57,1.39,;-9.09,1.79,;-8.69,3.27,;-7.2,3.67,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3447 CCNC(=O)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(2.83,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-10.57,-.15,;-11.91,-.92,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3448 CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.15,2.08,;-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-11.91,-.92,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3449 CCN(CC)CCCCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3450 CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3451 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3452 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC3CCCCC3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3453 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)Nc3ccccc3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3454 CN(C)CCCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3455 CN(C)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3456 CN(C)CCCN(C)c1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-5.18,-1.21,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3457 CN(C)CCCN(C)c1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-5.18,-1.21,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.4,-1.8,;3.92,-2.3,;3.92,-3.84,;2.58,-4.61,;5.25,-4.61,;3.92,-5.38,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3458 CN(C)CC(C)(C)CNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-8.4,-.79,;-7.6,2.19,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3459 CN(C)CC(C)(C)CNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.66,2.48,;-10.57,1.39,;-10.57,-.15,;-9.09,1.79,;-8,.7,;-8.4,-.79,;-7.6,2.19,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3460 Nc1nc2nc(NCCCN3CCOCC3)ncc2cc1-c1c(Cl)cccc1Cl |(2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3461 CC(C)(C)NC(=O)Nc1nc2nc(NCCCN3CCOCC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-5.06,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3462 CC1CCCCN1CCCNc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1Cl |(-11.91,3.7,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3463 CC1CCCCN1CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-11.91,3.7,;-11.91,2.16,;-13.24,1.39,;-13.24,-.15,;-11.91,-.92,;-10.57,-.15,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3464 CN1CCN(CCCNc2ncc3cc(c(N)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)|
3465 CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)|
3466 CN1CCN(CCCCNc2ncc3cc(c(N)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-15.76,4.51,;-14.27,4.11,;-12.91,4.83,;-11.61,4.02,;-11.66,2.48,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-13.02,1.76,;-14.33,2.57,)|
3467 CN1CCN(CCCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-15.76,4.51,;-14.27,4.11,;-12.91,4.83,;-11.61,4.02,;-11.66,2.48,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-13.02,1.76,;-14.33,2.57,)|
3468 CN1CCN(CCCNc2ncc3cc(c(NC(N)=O)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;4.16,-1.98,;1.49,-1.98,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
3469 CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3470 CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCC=C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;5.49,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
3471 CC(C)NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;2.83,-4.29,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3472 CCCCCCCCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(-1.17,-11.22,;.16,-10.45,;.16,-8.91,;1.49,-8.14,;1.49,-6.6,;2.83,-5.83,;2.83,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.87,2.22,;-13.24,1.51,;-13.31,-.03,;-14.64,-.8,;-12.01,-.86,;-10.64,-.15,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)|
3473 CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;1.49,-3.52,;.16,-4.29,;.16,-5.83,;1.49,-6.6,;2.83,-5.83,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
3474 CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC4CCCCC4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.64,-.8,;-13.31,-.03,;-13.24,1.51,;-11.87,2.22,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.8,-4.24,;2.74,-5.78,;4.04,-6.6,;5.4,-5.88,;5.46,-4.34,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.64,-.15,;-12.01,-.86,)|
3475 CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC45CC6CC(CC(C6)C4)C5)nc3n2)-c2c(Cl)cccc2Cl)CC1 |TLB:27:22:29:28.26.25,27:26:29:21.22.23,THB:25:24:21:28.26.27,25:26:21:29.24.23,(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;26.9,-20.31,;26.9,-22.76,;28.89,-23.49,;31.09,-22.83,;29.48,-25.41,;27.66,-24.12,;24.83,-24.68,;27.66,-21.18,;31.09,-20.41,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3476 CN1CCN(CCCNc2ncc3cc(c(NC(=O)NCCNC(=O)OC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;30.36,-19.89,;30.36,-21.43,;31.7,-22.2,;33.03,-21.43,;31.7,-23.74,;33.03,-24.51,;34.36,-23.74,;33.03,-26.05,;34.36,-25.28,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3477 CN(C)CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(29.03,-22.2,;30.36,-21.43,;31.7,-22.2,;30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3478 CCN(CC)C(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;30.36,-16.81,;31.7,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3479 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3480 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(Cl)cc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.88,-23.74,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3481 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(Br)cc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.88,-23.74,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3482 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(cc4)C(F)(F)F)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;30.29,-21.47,;30.34,-19.93,;28.88,-23.74,;27.34,-23.74,;28.48,-25.22,;30.41,-23.96,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3483 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(Cl)c(Cl)c4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.93,-23.74,;30.29,-21.47,;31.62,-22.24,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3484 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4ccc(C)cc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.67,-19.85,;27.62,-21.39,;28.93,-22.2,;28.93,-23.74,;30.29,-21.47,;30.34,-19.93,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3485 COc1ccccc1NC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(33.16,-19.56,;31.67,-19.16,;30.34,-19.93,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3486 COc1cccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)c1 |(32.95,-21.55,;31.6,-22.28,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,)|
3487 COc1ccc(NC(=O)Nc2nc3nc(NCCCN4CCN(C)CC4)ncc3cc2-c2c(Cl)cccc2Cl)cc1 |(30.19,-24.55,;28.88,-23.74,;28.93,-22.2,;27.62,-21.39,;27.67,-19.85,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;16.87,-14.9,;15.78,-13.81,;14.29,-14.21,;13,-13.38,;11.63,-14.08,;11.56,-15.62,;10.23,-16.39,;12.86,-16.45,;14.22,-15.75,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;30.34,-19.93,;30.29,-21.47,)|
3488 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Nc4cccc5ccccc45)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.23,-16.39,;11.56,-15.62,;11.63,-14.08,;13,-13.38,;14.29,-14.21,;15.78,-13.81,;16.87,-14.9,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;30.34,-19.93,;30.29,-21.47,;28.93,-22.2,;27.62,-21.39,;26.26,-22.11,;24.96,-21.3,;25,-19.76,;26.36,-19.03,;27.67,-19.85,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.22,-15.75,;12.86,-16.45,)|
3489 CCN(CC)CCCNc1ncc2cc(c(NC(=O)CC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(12.63,-13.01,;13.02,-14.5,;14.36,-15.27,;14.36,-16.81,;13.59,-18.14,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.69,-19.89,;30.36,-19.89,;29.03,-20.66,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3490 CCN(CC)CCCNc1ncc2cc(c(\N=C\N(C)C)nc2n1)-c1c(Cl)cccc1Cl |(12.63,-13.01,;13.02,-14.5,;14.36,-15.27,;14.36,-16.81,;13.59,-18.14,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;29.03,-17.58,;29.03,-19.12,;30.52,-17.18,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3491 CCNC(=S)Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;17.02,-15.27,;15.69,-14.5,;14.36,-15.27,;13.02,-14.5,;12.63,-13.01,;14.36,-16.81,;13.59,-18.14,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3492 CCNC(N)=Nc1nc2nc(NCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |w:5.5,(30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;17.02,-15.27,;15.69,-14.5,;14.36,-15.27,;13.02,-14.5,;12.63,-13.01,;14.36,-16.81,;13.59,-18.14,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3493 CCN(CC)CCCCNc1ncc2cc(c(NC(=S)NCCCN3CCOCC3)nc2n1)-c1c(Cl)cccc1Cl |(11.69,-12.19,;13.02,-12.96,;13.02,-14.5,;11.69,-15.27,;11.69,-16.81,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;30.36,-19.89,;30.36,-21.43,;31.7,-22.2,;31.64,-23.74,;32.95,-24.55,;34.31,-23.83,;34.36,-22.29,;33.05,-21.48,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3494 CCCC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(30.36,-19.89,;29.03,-19.12,;29.03,-17.58,;27.69,-16.81,;26.36,-17.58,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;17.02,-15.27,;15.69,-14.5,;14.36,-15.27,;13.02,-14.5,;11.69,-15.27,;11.69,-16.81,;10.36,-17.58,;13.02,-17.58,;14.36,-16.81,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3495 CN1CCN(CCCNc2ncc3cc(c(NC(=O)CC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;28.26,-20.45,;30.57,-19.12,;29.8,-20.45,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)|
3496 CN1CCN(CCCNc2ncc3cc(c(NC(=O)Cc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.69,-19.89,;27.69,-21.43,;29.03,-22.2,;30.36,-21.43,;30.36,-19.89,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)|
3497 CN1CCN(CCCNc2ncc3cc(c(NS(=O)(=O)c4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-16.04,;28.46,-18.14,;28.46,-19.68,;29.8,-20.45,;31.13,-19.68,;31.13,-18.14,;29.8,-17.37,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)|
3498 CN1CCN(CCCNc2ncc3cc(c(N=C(N)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |w:16.15,(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.69,-19.89,;27.69,-21.43,;29.03,-22.2,;30.36,-21.43,;30.36,-19.89,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)|
3499 CC(C)NC(NC(C)C)=Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(25.03,-19.89,;26.36,-19.12,;27.69,-19.89,;26.36,-17.58,;27.69,-16.81,;29.03,-17.58,;30.52,-17.18,;31.6,-18.27,;30.91,-15.69,;27.69,-15.27,;26.36,-14.5,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;21.03,-14.5,;19.69,-15.27,;18.36,-14.5,;17.02,-15.27,;15.69,-14.5,;14.36,-15.27,;13.02,-14.5,;11.69,-15.27,;11.69,-16.81,;10.36,-17.58,;13.02,-17.58,;14.36,-16.81,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,)|
3500 CN1CCN(CCCNc2ncc3cc(c(NC(=S)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;30.52,-17.18,;31.6,-18.27,;30.91,-15.69,;32,-16.78,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)|
3501 CN1CCN(CCCNc2ncc3cc(c(NC(=S)Nc4ccccc4)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(10.36,-17.58,;11.69,-16.81,;11.69,-15.27,;13.02,-14.5,;14.36,-15.27,;15.69,-14.5,;17.02,-15.27,;18.36,-14.5,;19.69,-15.27,;21.03,-14.5,;21.03,-12.96,;22.36,-12.19,;23.69,-12.96,;25.03,-12.19,;26.36,-12.96,;26.36,-14.5,;27.69,-15.27,;27.69,-16.81,;26.36,-17.58,;29.03,-17.58,;29.03,-19.12,;27.64,-19.79,;27.53,-21.32,;28.8,-22.19,;30.19,-21.52,;30.3,-19.98,;25.03,-15.27,;23.69,-14.5,;22.36,-15.27,;27.69,-12.19,;27.69,-10.65,;26.36,-9.88,;29.03,-9.88,;30.36,-10.65,;30.36,-12.19,;29.03,-12.96,;29.03,-14.5,;14.36,-16.81,;13.02,-17.58,)|
3502 FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CCN(C1)c1cccc(n1)C#N |r|
3503 Fc1cccc(Nc2ncnc3ccccc23)c1
3504 Fc1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1nccc(n1)C#N |r|
3505 CN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1cncc(n1)C#N |r|
3507 COCCN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1cncc(n1)C#N |r|
3508 COc1ccc2ncnc(Nc3ccccc3)c2c1
3509 COCCN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1cccc(n1)C#N |r|
3510 Nc1ccc2ncnc(Nc3ccccc3)c2c1
3511 Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
3512 Fc1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1cncc(n1)C#N |r|
3513 [O-][N+](=O)c1ccc2ncnc(Nc3ccccc3)c2c1
3514 COCCN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1ccc(c(n1)C#N)[N+]([O-])=O |r|
3515 [O-][N+](=O)c1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
3516 COc1ccc2c(Nc3ccccc3)ncnc2c1
3517 Fc1ccc(c(Cl)c1)S(=O)(=O)[C@H]1CCN(C1)c1cccc(n1)C#N |r|
3518 Nc1ccc2c(Nc3ccccc3)ncnc2c1
3519 Nc1ccc2c(Nc3cccc(F)c3)ncnc2c1
3520 Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1
3521 FC(F)(F)CNC(=O)c1cnc(nc1N1CC[C@@H](C1)S(=O)(=O)c1cccc(Cl)c1Cl)C#N |r|
3522 Nc1ccc2c(Nc3cccc(I)c3)ncnc2c1
3523 Nc1ccc2c(Nc3cccc(c3)C(F)(F)F)ncnc2c1
3524 [O-][N+](=O)c1ccc2c(Nc3ccccc3)ncnc2c1
3525 [O-][N+](=O)c1ccc2c(Nc3cccc(F)c3)ncnc2c1
3526 [O-][N+](=O)c1ccc2c(Nc3cccc(Cl)c3)ncnc2c1
3527 O=c1c(c[nH]n1-c1cc(ncn1)N1CCOCC1)-c1cccnc1
3528 [O-][N+](=O)c1ccc2c(Nc3cccc(I)c3)ncnc2c1
3529 [O-][N+](=O)c1ccc2c(Nc3cccc(c3)C(F)(F)F)ncnc2c1
3530 COc1cc2ncnc(Nc3ccccc3)c2cc1OC
3531 COc1cc2ncnc(Nc3cccc(F)c3)c2cc1OC
3532 COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC
3533 COc1cc2ncnc(Nc3cccc(I)c3)c2cc1OC
3534 COc1cc2ncnc(Nc3cccc(c3)C(F)(F)F)c2cc1OC
3535 CNc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
3536 CN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2c1
3537 COC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
3538 Oc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3539 CC(=O)Nc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3540 CNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3541 CCNc1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3542 CN(C)c1ccc2c(Nc3cccc(Br)c3)ncnc2c1
3543 Clc1ccc(cn1)-c1c[nH]n(-c2cc(ncn2)N2CCOCC2)c1=O
3544 CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
3545 CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
3546 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1N
3547 Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl
3548 Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
3549 CNc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
3550 CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
3551 CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
3552 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+]([O-])=O
3553 [O-][N+](=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cc1Cl
3554 Brc1cccc(Nc2ncnc3cc4OCOc4cc23)c1
3555 Cc1cc(C)n(n1)-c1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
3556 CCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCC
3557 CCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC
3558 CCCCOc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCCC
3559 COc1ccc2ncnc(Nc3cccc(Br)c3)c2c1OC
3560 COc1ccc2c(Nc3cccc(Br)c3)ncnc2c1OC
3561 COc1cc2nc(C)nc(Nc3cccc(Br)c3)c2cc1OC
3562 COc1cc2nc(N)nc(Nc3cccc(Br)c3)c2cc1OC
3563 COc1cc2ncnc(N(C)c3cccc(Br)c3)c2cc1OC
3564 COc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC
3565 COc1cc2c(Nc3cccc(Br)c3)ncnc2c(OC)c1OC
3566 COc1cc2ncnc(Nc3ccccc3Br)c2cc1OC
3567 COc1cc2ncnc(Nc3ccc(Br)cc3)c2cc1OC
3568 COc1cc2ncnc(Nc3ccc(Br)c(Br)c3)c2cc1OC
3569 COc1cc2ncnc(Nc3cc(Br)cc(Br)c3)c2cc1OC
3570 Brc1cccc(Nc2ncnc3cc4nc[nH]c4cc23)c1
3571 Cc1nc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[nH]1
3572 Cn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3573 CN(C)CCn1cnc2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3574 Cn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3575 CN(C)CCn1cnc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3576 CN(C)CCn1cnc2c(Cl)c3c(Nc4cccc(Br)c4)ncnc3cc12
3577 Brc1cccc(Nc2ncnc3ccc4[nH]cnc4c23)c1
3578 Brc1cccc(Nc2ncnc3c4nc[nH]c4ccc23)c1
3579 Brc1cccc(Nc2ncnc3cc4nn[nH]c4cc23)c1
3580 Brc1cccc(Nc2ncnc3cc4ncsc4cc23)c1
3581 Brc1cccc(Nc2ncnc3cc4cn[nH]c4cc23)c1
3582 Brc1cccc(Nc2ncnc3cc4[nH]ncc4cc23)c1
3583 Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1
3584 Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1
3585 Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1
3586 Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1
3587 C(Nc1ncnc2ccncc12)c1ccccc1
3588 Clc1c2oc3ccccc3nc2c2ccccc2c1=O
3589 CC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1
3590 Brc1cccc(Nc2ncnc3ccncc23)c1
3591 Clc1ccc(cc1)-c1nnc(s1)-n1[nH]cc(-c2cccnc2)c1=O
3592 CC(=O)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3593 Fc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3594 CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3595 CN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3596 COc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3597 CNc1cc2ncn(C)\c(=N/c3cccc(Br)c3)c2cn1
3598 C(Nc1ncnc2cnccc12)c1ccccc1
3599 Brc1cccc(Nc2ncnc3cnccc23)c1
3600 Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3601 Clc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3602 Fc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3603 CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3604 CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3605 COc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3606 COc1ccc(CNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)cc1
3607 CNc1cc2c(Nc3ccccc3)ncnc2cn1
3608 C(Nc1ncnc2ncccc12)c1ccccc1
3609 Brc1cccc(Nc2ncnc3ncccc23)c1
3610 Nc1ccc2c(Nc3cccc(Br)c3)ncnc2n1
3611 Fc1ccc2c(Nc3cccc(Br)c3)ncnc2n1
3612 CNc1ccc2c(Nc3cccc(Br)c3)ncnc2n1
3613 CN(C)c1ccc2c(Nc3cccc(Br)c3)ncnc2n1
3614 COc1ccc2c(Nc3cccc(Br)c3)ncnc2n1
3615 C(Nc1ncnc2cccnc12)c1ccccc1
3616 Brc1cccc(Nc2ncnc3cccnc23)c1
3617 Nc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
3618 Clc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
3619 Fc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
3620 CNc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
3621 CN(C)c1ccc2ncnc(Nc3cccc(Br)c3)c2n1
3622 COc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
3623 COCCN1CCN(CC1)c1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
3624 Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3625 OCC(O)Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3626 CN(C)CCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3627 Brc1cccc(Nc2ncnc3cc4n(CCN5CCOCC5)ncc4cc23)c1
3628 OC(=O)Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3629 O=c1c(c[nH]n1-c1cnccn1)-c1cccnc1
3630 Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3631 OCC(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3632 CN(C)CCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3633 CN(C)CCCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3634 Brc1cccc(Nc2ncnc3cc4n(CCN5CCOCC5)ccc4cc23)c1
3635 Brc1cccc(Nc2ncnc3cc4n(CCCN5CCOCC5)ccc4cc23)c1
3636 OC(=O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc12
3637 OCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3638 CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3639 Brc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1
3640 CN(C)CCN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3641 COC(=O)CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3642 CN(CC(O)=O)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
3643 O=c1c(c[nH]n1-c1cc(ncn1)N1CCCCC1)-c1cncc(c1)C#N
3644 CCN(CC)CCCCCCNc1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
3645 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O
3646 OCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3647 CN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3648 OCC(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3649 CN(CC(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3650 OCC(CO)Nc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3651 OCCN(CCO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3652 OCC(O)C(O)C(O)C(O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3653 CN(CC(O)C(O)C(O)C(O)CO)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3654 CN(C)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3655 CN(C)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3656 CN(C)CCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3657 CN(C)CCCCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3658 CN(C)CCN(C)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3659 Brc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1
3660 Brc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1
3661 Brc1cccc(Nc2ncnc3cc(NCCCCN4CCOCC4)ncc23)c1
3662 [O-][N+]1(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CCOCC1
3663 CN1CCN(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CC1
3664 OCCN(CCO)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3665 OCCN(CCO)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3666 NNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3667 Brc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1
3668 Brc1cccc(Nc2ncnc3cc(NCCc4cnc[nH]4)ncc23)c1
3669 OC(=O)CNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3670 OC(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3671 OC(=O)CCCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3672 CN(CC(O)=O)c1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3673 OS(=O)(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
3674 CNc1cc2ncnc(Nc3cccc(C)c3)c2cn1
3675 CN(C)CCCCNc1cc2ncnc(Nc3cccc(C)c3)c2cn1
3676 Cc1cccc(Nc2ncnc3cc(NCCCN4CCOCC4)ncc23)c1
3677 CN1CCN(CCCNc2cc3ncnc(Nc4cccc(C)c4)c3cn2)CC1
3678 Cc1cccc(Nc2ncnc3cc(NCCCn4ccnc4)ncc23)c1
3679 Cc1cccc(Nc2ncnc3cc(NCCc4cnc[nH]4)ncc23)c1
3680 Clc1ncc2ncnc(Nc3ccccc3)c2n1
3681 CNc1ncc2ncnc(Nc3ccccc3)c2n1
3682 Clc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
3683 Nc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
3684 CNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
3685 CN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1
3686 COc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
3687 CN(C)CCNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1
3688 Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
3689 Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1
3690 Brc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)nc23)c1
3691 Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)nc23)c1
3692 Cc1cccc(Nc2ncnc3cnc(Cl)nc23)c1
3693 Cc1cccc(Nc2ncnc3cnc(N)nc23)c1
3694 CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
3695 CN(C)c1ncc2ncnc(Nc3cccc(C)c3)c2n1
3696 Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
3697 Cc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)nc23)c1
3698 O=c1c(c[nH]n1-c1ccc(nn1)-c1ccccc1)-c1cccnc1
3699 [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1nc2c(Cl)cccc2s1
3700 OCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3701 CN(CCO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3702 OCC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3703 CN(CC(O)CO)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3704 CN(C)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3705 CN(C)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3706 CN(C)CCCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3707 CCN(CC)CC(O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3708 CN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3709 CN(C)CCN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3710 Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1
3711 Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)cc23)c1
3712 CN1CCN(CCCNc2cc3c(Nc4cccc(Br)c4)ncnc3cn2)CC1
3713 OCCN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3714 OCCN(CCO)CCCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3715 Brc1cccc(Nc2ncnc3cnc(NCc4cccnc4)cc23)c1
3716 Brc1cccc(Nc2ncnc3cnc(NCCc4ccccn4)cc23)c1
3717 Brc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1
3718 Brc1cccc(Nc2ncnc3cnc(NCCCn4ccnc4)cc23)c1
3719 CN1CCN(CC1)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3720 OC(=O)CNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3721 CN(CC(O)=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3722 OC(=O)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
3723 O=c1c(c[nH]n1-c1nc2ccccc2s1)-c1cccnc1
3724 CNc1cc2c(Nc3cccc(Cl)c3)ncnc2cn1
3725 CNc1cc2c(Nc3cccc(c3)C(F)(F)F)ncnc2cn1
3726 Cc1cccc(Nc2ncnc3cnc(N)cc23)c1
3727 CNc1cc2c(Nc3cccc(C)c3)ncnc2cn1
3728 CN(C)c1cc2c(Nc3cccc(C)c3)ncnc2cn1
3729 Cc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1
3730 Cc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)cc23)c1
3731 Cc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1
3732 Cc1nc(Nc2cccc(Br)c2)c2cc(NCCN3CCOCC3)ncc2n1
3733 Cc1cccc(Nc2cc(NCCO)ncn2)c1
3734 CN(C)CCOc1cc(ncn1)-n1[nH]cc(-c2cccnc2)c1=O
3735 Brc1cccc(Nc2ncnc3ccsc23)c1
3736 Brc1cccc(Nc2ncnc3sccc23)c1
3737 COC1=CC(=O)N(C1c1ccc(cc1)N1CCS(=O)(=O)CC1)c1ccc2nc[nH]c2c1 |t:2|
3738 [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
3739 COc1ccccc1N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
3740 O=C1C=C(C(N1c1ccc2nc[nH]c2c1)c1ccc(cc1)N1CCOCC1)N1CCCCC1 |c:2|
3741 [O-][N+](=O)c1ccc(o1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
3742 O=C1CC(=O)N(C1c1ccc(cc1)N1CCOCC1)c1ccc2nc[nH]c2c1
3743 N(c1ccccc1)c1ncnc2c3ccccc3[nH]c12
3744 Brc1cccc(Nc2ncnc3c4ccccc4[nH]c23)c1
3745 Cn1c2ccccc2c2ncnc(Nc3cccc(Br)c3)c12
3746 C(Nc1ncnc2c3ccccc3[nH]c12)c1ccccc1
3747 C[C@@H](Nc1ncnc2c3ccccc3[nH]c12)c1ccccc1 |r|
3748 C[C@H](Nc1ncnc2c3ccccc3[nH]c12)c1ccccc1 |r|
3749 C1CCC(CC1)Nc1ncnc2c3ccccc3[nH]c12
3750 CN(C)CCNc1ncnc2c3ccccc3[nH]c12
3751 CN(C)CCNc1ncnc2[nH]c3ccccc3c12
3752 N(c1ccccc1)c1ncnc2[nH]c3ccccc3c12
3753 Brc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
3754 Cn1c2ccccc2c2c(Nc3cccc(Br)c3)ncnc12
3755 CCN(CC)CCn1c2ccccc2c2c(Nc3cccc(Br)c3)ncnc12
3756 Cc1nc(Nc2cccc(Br)c2)c2c(n1)[nH]c1ccccc21
3757 Nc1nc(Nc2cccc(Br)c2)c2c(n1)[nH]c1ccccc21
3758 COc1ccc2[nH]c3ncnc(Nc4cccc(Br)c4)c3c2c1
3759 CCN(CC)CCn1c2ccc(OC)cc2c2c(Nc3cccc(Br)c3)ncnc12
3760 C(Nc1ncnc2c3ccccc3sc12)c1ccccc1
3761 C[C@@H](Nc1ncnc2c3ccccc3sc12)c1ccccc1 |r|
3762 Brc1cccc(Nc2ncnc3c4ccccc4sc23)c1
3763 [O-][N+](=O)c1ccc2sc3c(Nc4ccccc4)ncnc3c2c1
3764 Cc1cccc(Nc2ncnc3c2sc2ccc(cc32)[N+]([O-])=O)c1
3765 [O-][N+](=O)c1ccc2sc3c(Nc4cccc(c4)C(F)(F)F)ncnc3c2c1
3766 [O-][N+](=O)c1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
3767 Nc1ccc2sc3c(Nc4ccccc4)ncnc3c2c1
3768 Cc1cccc(Nc2ncnc3c4cc(N)ccc4sc23)c1
3769 Nc1ccc2sc3c(Nc4cccc(c4)C(F)(F)F)ncnc3c2c1
3770 Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
3771 [O-][N+](=O)c1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc21
3772 Nc1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc21
3773 Nc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F
3774 CCNc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1F
3775 COc1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc21
3776 CNc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
3777 CN(C)c1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1
3778 COc1cccc2c3ncnc(Nc4cccc(Br)c4)c3sc12
3779 [O-][N+](=O)c1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc21
3780 Nc1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc21
3781 COc1cccc2sc3c(Nc4cccc(Br)c4)ncnc3c12
3782 COc1cc2sc3c(Nc4cccc(Br)c4)ncnc3c2cc1OC
3783 Clc1cccc(Nc2ncnc3c4cccnc4sc23)c1
3784 Brc1cccc(Nc2ncnc3c4cccnc4sc23)c1
3785 Brc1cccc(Nc2ncnc3c2sc2ncsc32)c1
3786 Brc1cccc(Nc2ncnc3c4ccccc4oc23)c1
3787 C(c1ccccc1)n1cnc2ccccc12
3788 O=C(c1ccccc1)n1cnc2ccccc12
3789 c1ccc(cc1)-c1nc2ccccc2[nH]1
3790 C1CC(=Nc2ccccc2N1)c1ccccc1 |c:2|
3791 c1cc2ccccc2n1-c1ccccc1
3792 c1nn(-c2ccccc2)c2ccccc12
3793 c1ccc(cc1)-n1nnc2ccccc12
3794 c1nc2ccccc2n1-c1ccccc1
3795 Cc1ccccc1-n1cnc2ccccc12
3796 COc1ccccc1-n1cnc2ccccc12
3797 Oc1ccccc1-n1cnc2ccccc12
3798 Clc1ccccc1-n1cnc2ccccc12
3799 OC(=O)c1ccccc1-n1cnc2ccccc12
3800 CCOC(=O)c1ccccc1-n1cnc2ccccc12
3801 NC(=O)c1ccccc1-n1cnc2ccccc12
3802 [O-][N+](=O)c1ccccc1-n1cnc2ccccc12
3803 Nc1ccccc1-n1cnc2ccccc12
3804 CC(=O)c1ccccc1-n1cnc2ccccc12
3805 O=Cc1ccccc1-n1cnc2ccccc12
3806 N#Cc1ccccc1-n1cnc2ccccc12
3807 c1nc2ccccc2n1-c1ccccn1
3808 Cc1cccc(c1)-n1cnc2ccccc12
3809 COc1cccc(c1)-n1cnc2ccccc12
3810 Oc1cccc(c1)-n1cnc2ccccc12
3811 Clc1cccc(c1)-n1cnc2ccccc12
3812 OC(=O)c1cccc(c1)-n1cnc2ccccc12
3813 CCOC(=O)c1cccc(c1)-n1cnc2ccccc12
3814 NC(=O)c1cccc(c1)-n1cnc2ccccc12
3815 [O-][N+](=O)c1cccc(c1)-n1cnc2ccccc12
3816 Nc1cccc(c1)-n1cnc2ccccc12
3817 CC(=O)c1cccc(c1)-n1cnc2ccccc12
3818 O=Cc1cccc(c1)-n1cnc2ccccc12
3819 N#Cc1cccc(c1)-n1cnc2ccccc12
3820 c1nc2ccccc2n1-c1cccnc1
3821 Cc1ccc(cc1)-n1cnc2ccccc12
3822 COc1ccc(cc1)-n1cnc2ccccc12
3823 Oc1ccc(cc1)-n1cnc2ccccc12
3824 Clc1ccc(cc1)-n1cnc2ccccc12
3825 OC(=O)c1ccc(cc1)-n1cnc2ccccc12
3826 COC(=O)c1ccc(cc1)-n1cnc2ccccc12
3827 NC(=O)c1ccc(cc1)-n1cnc2ccccc12
3828 [O-][N+](=O)c1ccc(cc1)-n1cnc2ccccc12
3829 Nc1ccc(cc1)-n1cnc2ccccc12
3830 CC(=O)c1ccc(cc1)-n1cnc2ccccc12
3831 O=Cc1ccc(cc1)-n1cnc2ccccc12
3832 N#Cc1ccc(cc1)-n1cnc2ccccc12
3833 c1nc2ccccc2n1-c1ccncc1
3834 Cc1nc2ccccc2n1-c1ccccc1
3835 O=c1[nH]c2ccccc2n1-c1ccccc1
3836 Nc1nc2ccccc2n1-c1ccccc1
3837 Cc1cccc2n(cnc12)-c1ccccc1
3838 COc1cccc2n(cnc12)-c1ccccc1
3839 Oc1cccc2n(cnc12)-c1ccccc1
3840 Clc1cccc2n(cnc12)-c1ccccc1
3841 OC(=O)c1cccc2n(cnc12)-c1ccccc1
3842 COC(=O)c1cccc2n(cnc12)-c1ccccc1
3843 NC(=O)c1cccc2n(cnc12)-c1ccccc1
3844 [O-][N+](=O)c1cccc2n(cnc12)-c1ccccc1
3845 Nc1cccc2n(cnc12)-c1ccccc1
3846 Cc1ccc2n(cnc2c1)-c1ccccc1
3847 COc1ccc2n(cnc2c1)-c1ccccc1
3848 Oc1ccc2n(cnc2c1)-c1ccccc1
3849 Clc1ccc2n(cnc2c1)-c1ccccc1
3850 OC(=O)c1ccc2n(cnc2c1)-c1ccccc1
3851 COC(=O)c1ccc2n(cnc2c1)-c1ccccc1
3852 NC(=O)c1ccc2n(cnc2c1)-c1ccccc1
3853 [O-][N+](=O)c1ccc2n(cnc2c1)-c1ccccc1
3854 Nc1ccc2n(cnc2c1)-c1ccccc1
3855 CC(=O)c1ccc2n(cnc2c1)-c1ccccc1
3856 O=Cc1ccc2n(cnc2c1)-c1ccccc1
3857 c1nc2cnccc2n1-c1ccccc1
3858 Cc1ccc2ncn(-c3ccccc3)c2c1
3859 COc1ccc2ncn(-c3ccccc3)c2c1
3860 Oc1ccc2ncn(-c3ccccc3)c2c1
3861 Clc1ccc2ncn(-c3ccccc3)c2c1
3862 OC(=O)c1ccc2ncn(-c3ccccc3)c2c1
3863 COC(=O)c1ccc2ncn(-c3ccccc3)c2c1
3864 NC(=O)c1ccc2ncn(-c3ccccc3)c2c1
3865 [O-][N+](=O)c1ccc2ncn(-c3ccccc3)c2c1
3866 Nc1ccc2ncn(-c3ccccc3)c2c1
3867 Cc1cccc2ncn(-c3ccccc3)c12
3868 COc1cccc2ncn(-c3ccccc3)c12
3869 Oc1cccc2ncn(-c3ccccc3)c12
3870 Clc1cccc2ncn(-c3ccccc3)c12
3871 OC(=O)c1cccc2ncn(-c3ccccc3)c12
3872 COC(=O)c1cccc2ncn(-c3ccccc3)c12
3873 NC(=O)c1cccc2ncn(-c3ccccc3)c12
3874 [O-][N+](=O)c1cccc2ncn(-c3ccccc3)c12
3875 Nc1cccc2ncn(-c3ccccc3)c12
3876 c1nc2cccnc2n1-c1ccccc1
3877 COc1ccc2n(cnc2c1)-c1cccs1
3878 COc1ccc2n(cnc2c1)-c1ccsc1
3879 CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)C(O)=O |r|
3880 CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O |r|
3881 CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O |r|
3882 CCC[C@@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(O)=O |r|
3883 CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(N)=O |r|
3884 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(N)=O |r|
3885 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
3886 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)NCc1ccc2OCOc2c1 |r|
3887 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N(C)Cc1ccccc1 |r|
3888 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N1CCc2ccccc12 |r|
3889 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=S)NCc1ccccc1 |r|
3890 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)OCc1ccccc1 |r|
3891 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)CCc1ccccc1 |r|
3892 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@H](C)c1ccccc1 |r|
3893 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 |r|
3894 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](CC)c1ccccc1 |r|
3895 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@H]1CCc2ccccc12 |r|
3896 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)NN(C)c1ccccc1 |r|
3897 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)C1CCCCC1 |r|
3898 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1nnn[nH]1 |r|
3899 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
3900 CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1 |r|
3901 CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(C)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
3902 CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
3903 CCCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 |r|
3904 CCCCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 |r|
3905 CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(C(CC)CC)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
3906 CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC(C)C)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
3907 CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CCC(C)C)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
3908 CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
3909 NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
3910 Oc1ccccc1Oc1ccccc1O
3911 Cc1ccc(Oc2ccccc2O)c(O)c1
3912 CCc1ccc(Oc2ccccc2O)c(O)c1
3913 CCCc1ccc(Oc2ccccc2O)c(O)c1
3914 Fc1cc(F)c(F)c(c1)C1N(C(=O)CC1=O)c1ccc2nc[nH]c2c1
3915 C1CCc2c(C1)sc1ncn3nnnc3c21
3916 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:23:22:12.13:19.18|
3917 CC(=O)N1CCN(CC1)c1ccc(Oc2ncnc3sccc23)cc1
3918 CCOc1ccc2n(cnc2c1)-c1ccccc1
3919 CCCOc1ccc2n(cnc2c1)-c1ccccc1
3920 CC(C)Oc1ccc2n(cnc2c1)-c1ccccc1
3921 CCCCOc1ccc2n(cnc2c1)-c1ccccc1
3922 C=CCOc1ccc2n(cnc2c1)-c1ccccc1
3923 OCCCCOc1ccc2n(cnc2c1)-c1ccccc1
3924 C(Oc1ccc2n(cnc2c1)-c1ccccc1)C1CO1
3925 OCC(O)COc1ccc2n(cnc2c1)-c1ccccc1
3926 NCCOc1ccc2n(cnc2c1)-c1ccccc1
3927 CN(C)CCOc1ccc2n(cnc2c1)-c1ccccc1
3928 CN(C)CCCOc1ccc2n(cnc2c1)-c1ccccc1
3929 CN(C)CCCCOc1ccc2n(cnc2c1)-c1ccccc1
3930 C(CN1CCOCC1)Oc1ccc2n(cnc2c1)-c1ccccc1
3931 C(COc1ccc2n(cnc2c1)-c1ccccc1)CN1CCOCC1
3932 C(CCN1CCOCC1)COc1ccc2n(cnc2c1)-c1ccccc1
3933 COc1ccc2n(cnc2c1)-c1ccc(N)cc1
3934 Sc1ccc2n(cnc2c1)-c1ccccc1
3935 CSc1ccc2n(cnc2c1)-c1ccccc1
3936 C(CSc1ccc2n(cnc2c1)-c1ccccc1)CN1CCOCC1
3937 CN(C)C(=S)Oc1ccc2n(cnc2c1)-c1ccccc1
3938 Oc1ccc2n(cnc2c1O)-c1ccccc1
3939 COc1ccc2n(cnc2c1O)-c1ccccc1
3940 COc1c(O)ccc2n(cnc12)-c1ccccc1
3941 COc1ccc2n(cnc2c1OC)-c1ccccc1
3942 Oc1ccc2n(cnc2c1Br)-c1ccccc1
3943 Brc1c(OCC=C)ccc2n(cnc12)-c1ccccc1
3944 Oc1ccc2n(cnc2c1CC=C)-c1ccccc1
3945 CC1Cc2c(O1)ccc1n(cnc21)-c1ccccc1
3946 COc1cc2ncn(-c3ccccc3)c2cc1OC
3947 Oc1cc2ncn(-c3ccccc3)c2cc1O
3948 C1Oc2cc3ncn(-c4ccccc4)c3cc2O1
3949 COc1cc2ncn(-c3ccccc3)c2cc1C
3950 Cc1cc2n(cnc2cc1O)-c1ccccc1
3951 COc1cc2ncn(-c3ccccc3)c2cc1C(O)=O
3952 OC(=O)c1cc2n(cnc2cc1O)-c1ccccc1
3953 COC(=O)c1cc2n(cnc2cc1OC)-c1ccccc1
3954 COc1cc2ncn(-c3ccccc3)c2cc1CO
3955 COc1cc2ncn(-c3ccccc3)c2cc1C=O
3956 OC(=O)CC1C(=S)Nc2ccccc12
3957 CN1C(=S)C(CC(O)=O)c2ccccc12
3958 COC(=O)CC1C(=S)Nc2ccccc12
3959 COC(=O)CC1C(=S)N(C)c2ccccc12
3960 OC(=O)CCC1C(=S)Nc2ccccc12
3961 CN1C(=S)C(CCC(O)=O)c2ccccc12
3962 COC(=O)CCC1C(=S)Nc2ccccc12
3963 COC(=O)CCC1C(=S)N(C)c2ccccc12
3964 OC(=O)CCCC1C(=S)Nc2ccccc12
3965 CN1C(=S)C(CCCC(O)=O)c2ccccc12
3966 COC(=O)CCCC1C(=S)Nc2ccccc12
3967 COC(=O)CCCC1C(=S)N(C)c2ccccc12
3968 OC(=O)CCC1(CCC(O)=O)C(=S)Nc2ccccc12
3969 COC(=O)CCC1(CCC(=O)OC)C(=S)Nc2ccccc12
3970 COC(=O)CCN1C(=S)C(CCC(=O)OC)(CCC(=O)OC)c2ccccc12
3971 OC(=O)Cc1c(SSc2[nH]c3ccccc3c2CC(O)=O)[nH]c2ccccc12
3972 Cn1c(SSc2c(CC(O)=O)c3ccccc3n2C)c(CC(O)=O)c2ccccc12
3973 Oc1ccc(O)c(\C=C\NC=O)c1
3974 COC(=O)Cc1c(SSc2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12
3975 COC(=O)Cc1c(SSc2c(CC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12
3976 COC(=O)Cc1c(Sc2c(CC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12
3977 OC(=O)Cc1c(SSSc2[nH]c3ccccc3c2CC(O)=O)[nH]c2ccccc12
3978 COC(=O)Cc1c(SSSc2[nH]c3ccccc3c2CC(=O)OC)[nH]c2ccccc12
3979 OC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(O)=O)[nH]c2ccccc12
3980 Cn1c(SSc2c(CCC(O)=O)c3ccccc3n2C)c(CCC(O)=O)c2ccccc12
3981 COC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)OC)[nH]c2ccccc12
3982 COC(=O)CCc1c(SSc2c(CCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12
3983 Cc1ccc2[nH]c(SSc3[nH]c4ccc(C)cc4c3CCC(O)=O)c(CCC(O)=O)c2c1
3984 Cc1ccc2c(CCC(O)=O)c(SSc3[nH]c4cc(C)ccc4c3CCC(O)=O)[nH]c2c1
3985 Cc1cccc2c(CCC(O)=O)c(SSc3[nH]c4c(C)cccc4c3CCC(O)=O)[nH]c12
3986 OC(=O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(O)=O)[nH]c2ccccc12
3987 Cn1c(SSc2c(CCCC(O)=O)c3ccccc3n2C)c(CCCC(O)=O)c2ccccc12
3988 COC(=O)CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)OC)[nH]c2ccccc12
3989 COC(=O)CCCc1c(SSc2c(CCCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12
3990 O=C(Cc1c(SSc2[nH]c3ccccc3c2CC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1
3991 N#CCc1c(SSc2[nH]c3ccccc3c2CC#N)[nH]c2ccccc12
3992 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:23:22:12.13:19.18|
3993 CCOC(=O)c1cccc2C(N=O)c3ccccc3-c12
3994 N#CCCc1c(SSc2[nH]c3ccccc3c2CCC#N)[nH]c2ccccc12
3995 [O-][N+](=O)CCc1c(SSc2[nH]c3ccccc3c2CC[N+]([O-])=O)[nH]c2ccccc12
3996 NC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(N)=O)[nH]c2ccccc12
3997 CNC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NC)[nH]c2ccccc12
3998 CONC(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NOC)[nH]c2ccccc12
3999 CN(C)C(=O)CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)N(C)C)[nH]c2ccccc12
4000 O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2)[nH]c2ccccc12)Nc1ccccc1
4001 O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1
4002 COC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(cc3)C(=O)OC)[nH]c3ccccc23)cc1
4003 OC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(cc3)C(O)=O)[nH]c3ccccc23)cc1
4004 COC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(C(=O)OC)c(O)c3)[nH]c3ccccc23)cc1O
4005 OC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(C(O)=O)c(O)c3)[nH]c3ccccc23)cc1O
4006 O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCCc2ccccc2)[nH]c2ccccc12)NCCc1ccccc1
4007 CC(=O)NC(Cc1c(SSc2[nH]c3ccccc3c2CC(NC(C)=O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
4008 FC(F)(F)C(=O)NC(Cc1c(SSc2[nH]c3ccccc3c2CC(NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
4009 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:23:22:12.13:19.18|
4010 CC(=O)OC(Cc1c(SSc2[nH]c3ccccc3c2CC(OC(C)=O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
4011 OC(Cc1c(SSc2[nH]c3ccccc3c2CC(O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
4012 O=C(CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1
4013 O=C(CC1C(=S)Nc2ccccc12)NCc1ccccc1
4014 NC(=O)CCC1C(=S)Nc2ccccc12
4015 O=C(CCC1C(=S)Nc2ccccc12)NCc1ccccc1
4016 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccccc3n2C)c(C(=O)Nc2ccccc2)c2ccccc12
4017 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3c(Cl)cccc3n2C)c(C(=O)Nc2ccccc2)c2c(Cl)cccc12
4018 Cc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(C)cccc4n3C)c(C(=O)Nc3ccccc3)c12
4019 COc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC)cccc4n3C)c(C(=O)Nc3ccccc3)c12
4020 CC(=O)Oc1cccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4c(OC(C)=O)cccc4n3C)c(C(=O)Nc3ccccc3)c12
4021 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(F)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(F)ccc12
4022 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Cl)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Cl)ccc12
4023 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Br)ccc12
4024 Cc1ccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4cc(C)ccc4n3C)c(C(=O)Nc3ccccc3)c2c1
4025 COc1ccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4cc(OC)ccc4n3C)c(C(=O)Nc3ccccc3)c2c1
4026 CC(=O)Oc1ccc2n(C)c(SSc3c(C(=O)Nc4ccccc4)c4cc(OC(C)=O)ccc4n3C)c(C(=O)Nc3ccccc3)c2c1
4027 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(O)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(O)ccc12
4028 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)C(F)(F)F)c(C(=O)Nc2ccccc2)c2cc(ccc12)C(F)(F)F
4029 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)C#N)c(C(=O)Nc2ccccc2)c2cc(ccc12)C#N
4030 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(ccc3n2C)[N+]([O-])=O)c(C(=O)Nc2ccccc2)c2cc(ccc12)[N+]([O-])=O
4031 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(Cl)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(Cl)cc12
4032 Cc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(C)cc4n3C)n(C)c2c1
4033 COc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(OC)cc4n3C)n(C)c2c1
4034 CC(=O)Oc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(OC(C)=O)cc4n3C)n(C)c2c1
4035 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(O)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(O)cc12
4036 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccc(Cl)c3n2C)c(C(=O)Nc2ccccc2)c2cccc(Cl)c12
4037 Cc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(C)c4n3C)n(C)c12
4038 COc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(OC)c4n3C)n(C)c12
4039 CC(=O)Oc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(OC(C)=O)c4n3C)n(C)c12
4040 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccc(O)c3n2C)c(C(=O)Nc2ccccc2)c2cccc(O)c12
4041 Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccnc3n2C)c(C(=O)Nc2ccccc2)c2cccnc12
4042 CN1C(=S)C(C(=O)Nc2ccccc2)c2ccccc12
4043 CN1C(=S)C(C(=O)Nc2ccccc2)c2cc(Cl)ccc12
4044 CN1C(=S)C(C(=O)Nc2ccccc2)c2cccnc12
4045 CN1C(=S)C(C)(C(=O)Nc2ccccc2)c2ccccc12
4046 CSc1c(C(=O)Nc2ccccc2)c2ccccc2n1C
4047 Cn1c(SSc2ccccc2)c(C(=O)Nc2ccccc2)c2ccccc12
4048 Cn1c(SSCc2ccccc2)c(C(=O)Nc2ccccc2)c2ccccc12
4049 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:26:25:15.16:22.21|
4050 CCn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.32,-3.56,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4051 CCCn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.32,-5.1,;-.32,-3.56,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4052 CCCCn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.02,-5.87,;-.32,-5.1,;-.32,-3.56,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4053 CC(C)Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.32,-5.1,;-.32,-3.56,;1.02,-2.79,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4054 COC(=O)Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.35,-3.56,;1.02,-2.79,;-.32,-3.56,;-.32,-5.1,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4055 CC(C)(C)OC(=O)Cn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.69,-2.79,;2.35,-3.56,;2.35,-5.1,;3.69,-4.33,;1.02,-2.79,;-.32,-3.56,;-.32,-5.1,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4056 Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CC(O)=O)c2n1 |(-6.98,-1.25,;-5.65,-.48,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,;-1.65,-1.25,;-1.65,-2.79,;-.32,-3.56,;1.02,-2.79,;-.32,-5.1,;-2.98,-.48,;-4.32,-1.25,)|
4057 Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccccc3)c2n1 |(-6.98,-1.25,;-5.65,-.48,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,;-1.65,-1.25,;-1.65,-2.79,;-.32,-3.56,;-.32,-5.1,;1.02,-5.87,;2.35,-5.1,;2.35,-3.56,;1.02,-2.79,;-2.98,-.48,;-4.32,-1.25,)|
4058 Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccncc3)c2n1 |(-6.98,-1.25,;-5.65,-.48,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,;-1.65,-1.25,;-1.65,-2.79,;-.32,-3.56,;-.32,-5.1,;1.02,-5.87,;2.35,-5.1,;2.35,-3.56,;1.02,-2.79,;-2.98,-.48,;-4.32,-1.25,)|
4059 CN(C)CCCn1c2nc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(1.02,-7.41,;1.02,-5.87,;2.35,-5.1,;-.32,-5.1,;-.32,-3.56,;-1.65,-2.79,;-1.65,-1.25,;-2.98,-.48,;-4.32,-1.25,;-5.65,-.48,;-6.98,-1.25,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,)|
4060 Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CCCOCc3ccccc3)c2n1 |(-6.98,-1.25,;-5.65,-.48,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,;-1.65,-1.25,;-1.65,-2.79,;-.32,-3.56,;-.32,-5.1,;1.02,-5.87,;1.02,-7.41,;2.35,-8.18,;2.35,-9.72,;3.69,-10.49,;5.02,-9.72,;5.02,-8.18,;3.69,-7.41,;-2.98,-.48,;-4.32,-1.25,)|
4061 Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(CCCO)c2n1 |(-6.98,-1.25,;-5.65,-.48,;-5.65,1.06,;-4.32,1.83,;-2.98,1.06,;-1.65,1.83,;-.32,1.06,;1.02,1.83,;1.02,3.37,;-.32,4.14,;2.35,4.14,;3.69,3.37,;3.69,1.83,;2.35,1.06,;2.35,-.48,;-.32,-.48,;1.02,-1.25,;-1.65,-1.25,;-1.65,-2.79,;-.32,-3.56,;-.32,-5.1,;1.02,-5.87,;-2.98,-.48,;-4.32,-1.25,)|
4062 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc2ccccc12)OC |r,TLB:23:22:12.13:19.18|
4063 Cn1c2nc(Nc3ccccc3)ncc2cc(-c2ccccc2)c1=O
4064 Cn1c2nc(Nc3ccccc3)ncc2cc(-c2ccsc2)c1=O
4065 Cn1c2nc(Nc3ccncc3)ncc2cc(-c2ccccc2)c1=O
4066 Cn1c2nc(Nc3ccncc3)ncc2cc(-c2ccsc2)c1=O
4067 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1
4068 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccsc4)c(=O)n(C)c3n2)cc1
4069 Cn1c2nc(N)ncc2cc(-c2ccsc2)c1=O
4070 CNc1ncc2cc(-c3ccsc3)c(=O)n(C)c2n1
4071 Cn1c2nc(Nc3ccccc3)ncc2cc(-c2cccs2)c1=O
4072 Cn1c2nc(Nc3ccccc3)ncc2cc(-c2ccc(cc2)-c2ccccc2)c1=O
4073 CC1CCN(CC1)C(=O)c1scc2OCCOc12
4074 CCn1c2nc(Nc3ccccc3)ncc2cc(-c2ccccc2)c1=O
4075 CCn1c2nc(Nc3ccccc3)ncc2cc(-c2ccsc2)c1=O
4076 CCn1c2nc(Nc3ccncc3)ncc2cc(-c2ccccc2)c1=O
4077 CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4)c(=O)n(CC)c3n2)cc1
4078 Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
4079 Oc1cc2[nH]c(=O)c3cc(O)c(O)cc3c2cc1O
4080 Oc1ccc2c3cc(O)c(O)cc3[nH]c(=O)c2c1O
4081 CCn1c2cc(O)c(O)cc2c2cc(O)c(O)cc2c1=O
4082 CCn1c2cc(O)c(O)cc2c2ccc(O)c(O)c2c1=O
4083 Oc1cc2n(Cc3ccccc3)c(=O)c3cc(O)c(O)cc3c2cc1O
4084 Oc1cc2n(Cc3ccccc3)c(=O)c3c(O)c(O)ccc3c2cc1O
4085 Oc1cc2n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c3cc(O)c(O)cc3c2cc1O
4086 Oc1ccc2c3cc(O)c(O)cc3n(Cc3ccc(cc3)[N+]([O-])=O)c(=O)c2c1O
4087 Oc1cc2n(Cc3ccc(Cl)c(Cl)c3)c(=O)c3cc(O)c(O)cc3c2cc1O
4088 Oc1ccc2c3cc(O)c(O)cc3n(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1O
4089 Oc1cc2n(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)c(=O)c3cc(O)c(O)cc3c2cc1O
4090 Oc1ccc2c3cc(O)c(O)cc3n(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)c(=O)c2c1O
4091 Oc1cc2[nH]c3cc(O)c(O)cc3c2cc1O
4092 Oc1ccc2c([nH]c3cc(O)c(O)cc23)c1O
4093 Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O
4094 Oc1cc2n(Cc3ccccc3)c3cc(O)c(O)cc3c2cc1O
4095 Oc1cc2n(Cc3ccccc3)c3c(O)c(O)ccc3c2cc1O
4096 Oc1cc2n(C(=O)c3ccccc3)c3cc(O)c(O)cc3c2cc1O
4097 Oc1cc2n(C(=O)c3ccccc3)c3c(O)c(O)ccc3c2cc1O
4098 Oc1cc2n(Cc3cccnc3)c3cc(O)c(O)cc3c2cc1O
4099 Oc1ccc2c3cc(O)c(O)cc3n(CCCc3ccccc3)c2c1O
4100 Oc1cc2n(Cc3ccc(cc3)C#N)c3c(O)c(O)ccc3c2cc1O
4101 Oc1cc2n(Cc3ccc(cc3)C#N)c3c(O)c(O)cc(Br)c3c2cc1O
4102 Oc1cc2n(Cc3ccc(cc3)C(F)(F)F)c3c(O)c(O)ccc3c2cc1O
4103 Oc1cc2n(Cc3c(Cl)cccc3Cl)c3c(O)c(O)ccc3c2cc1O
4104 Oc1cc2n(Cc3ccc(Br)cc3)c3c(O)c(O)ccc3c2cc1O
4105 Cc1cccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c23)c1
4106 Oc1cc2n(Cc3ccc(cc3)S(=O)(=O)c3ccccc3)c3c(O)c(O)ccc3c2cc1O
4107 Oc1cc2n(C(=O)c3ccc(Br)cc3)c3c(O)c(O)ccc3c2cc1O
4108 Oc1cc2n(C(=O)c3ccc(cc3)-c3ccccc3)c3c(O)c(O)ccc3c2cc1O
4109 Oc1ccc2c3cc(O)c(O)cc3n(C(=O)c3ccc4ccccc4c3)c2c1O
4110 Oc1ccc2c(c1O)n(C(=O)c1cccc(c1)[N+]([O-])=O)c1cc(O)c(O)cc21
4111 Oc1cc2n(C(=O)c3ccc(cc3)C(F)(F)F)c3c(O)c(O)ccc3c2cc1O
4112 Oc1cc2n(C(=O)c3ccc(cc3)C(F)(F)F)c3c(O)c(O)cc(Br)c3c2cc1O
4113 CC(C)(C)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c12
4114 CC(C)(C)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2c(Br)cc(O)c(O)c12
4115 CS(=O)(=O)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c12
4116 CS(=O)(=O)c1ccc(cc1)C(=O)n1c2cc(O)c(O)cc2c2c(Br)cc(O)c(O)c12
4117 Oc1ccc2c3cc(O)c(O)cc3n(C(=O)CCc3ccccc3)c2c1O
4118 Oc1cc2n(c3cc(O)c(O)cc3c2cc1O)S(=O)(=O)c1ccccc1
4119 Oc1ccc2c3cc(O)c(O)cc3n(c2c1O)S(=O)(=O)c1ccccc1
4120 Oc1cc2n(c3c(O)c(O)ccc3c2cc1O)S(=O)(=O)c1cc(Cl)ccc1Cl
4121 Oc1cc2n(c3c(O)c(O)ccc3c2cc1O)S(=O)(=O)Cc1ccccc1
4122 Oc1ccc2c(c1O)n(c1cc(O)c(O)cc21)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
4123 Cc1c(O)cccc1C(=O)N[C@@H](CCc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4124 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4125 Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
4126 Cc1cccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
4127 Cc1ccccc1C[C@H](NC(=O)c1cccc(O)c1C)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4128 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4129 Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4130 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4131 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4132 Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4133 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4134 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4135 COc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
4136 Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4137 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4138 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4139 Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1C |r|
4140 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4141 Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc2ccccc12)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4142 Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4143 Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r|
4144 Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4145 Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4146 Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4147 Cc1ccc(C(=O)N[C@@H](Cc2cccc(c2)C(F)(F)F)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r|
4148 Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4149 Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4150 Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4151 Cc1ccc(C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r|
4152 Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4153 Cc1cccc(C[C@H](NC(=O)c2ccc(C)c(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
4154 Cc1cccc(C[C@H](NC(=O)c2cc(C)cc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
4155 Cc1cccc(C[C@H](NC(=O)c2c(C)ccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
4156 Cc1ccc(C[C@H](NC(=O)c2ccc(C)c(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
4157 Cc1ccc(C[C@H](NC(=O)c2c(C)ccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
4158 Cc1ccccc1C[C@H](NC(=O)c1ccc(C)c(O)c1C)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4159 Cc1ccccc1C[C@H](NC(=O)c1c(C)ccc(O)c1C)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4160 Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4161 Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4162 Cc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r|
4163 Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4164 Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4165 Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4166 Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4167 Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4168 Cn1c2cc(N)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4169 CNc1cc2n(C)c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-6.52,-3.49,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4170 CN(C)c1cc2n(C)c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-6.52,-3.49,;-6.52,-1.95,;-7.85,-1.18,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4171 CCN(CC)CCNc1cc2n(C)c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-9.18,1.13,;-10.52,.36,;-10.52,-1.18,;-11.85,-1.95,;-13.19,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4172 CCN(CC)CCCNc1cc2n(C)c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-13.19,-4.26,;-11.85,-3.49,;-11.85,-1.95,;-13.19,-1.18,;-13.19,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4173 CCN(CC)CCCCNc1cc2n(C)c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.85,1.13,;-13.19,.36,;-13.19,-1.18,;-14.52,-1.95,;-14.52,-3.49,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4174 CCN(CC)CCCCCNc1cc2n(C)c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-15.85,-4.26,;-14.52,-3.49,;-14.52,-1.95,;-15.85,-1.18,;-15.85,.36,;-13.19,-1.18,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4175 CN1CCN(CCCNc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-15.61,-4.58,;-14.52,-3.49,;-14.52,-1.95,;-13.19,-1.18,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-11.85,-3.49,;-13.19,-4.26,)|
4176 CN1CCN(CCCCNc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-17.31,.81,;-15.82,.41,;-14.47,1.16,;-13.16,.36,;-13.19,-1.18,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-14.53,-1.92,;-15.85,-1.13,)|
4177 CN1CCN(CCCCCNc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-18.56,-3.32,;-17.18,-2.64,;-17.09,-1.1,;-15.71,-.41,;-14.43,-1.26,;-12.94,-.86,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-14.52,-2.8,;-15.9,-3.48,)|
4178 Cn1c2cc(NCCCN3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-9.18,-1.95,;-10.52,-1.18,;-11.85,-1.95,;-13.19,-1.18,;-14.52,-1.95,;-14.52,-3.49,;-13.19,-4.26,;-11.85,-3.49,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4179 Cn1c2cc(NCCCCN3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-9.18,-1.95,;-10.52,-1.18,;-11.85,-1.95,;-13.19,-1.18,;-13.05,.36,;-14.31,1.24,;-15.7,.59,;-15.84,-.94,;-14.58,-1.83,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4180 Cn1c2cc(NCCCn3ccnc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-9.18,-1.95,;-10.52,-1.18,;-11.85,-1.95,;-12.33,-3.41,;-13.87,-3.41,;-14.34,-1.95,;-13.1,-1.04,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4181 Cn1c2cc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-7.85,.36,;-9.18,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4182 Cn1c2cc(Nc3ccncc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-7.85,.36,;-9.18,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4183 COc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-11.85,2.67,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,)|
4184 CCN(CC)CCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-14.52,7.29,;-14.52,5.75,;-13.19,4.98,;-11.85,5.75,;-10.52,4.98,;-13.19,3.44,;-11.85,2.67,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,)|
4185 CCN(CC)CCCOc1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-15.85,8.06,;-14.52,7.29,;-14.52,5.75,;-15.85,4.98,;-15.85,3.44,;-13.19,4.98,;-13.19,3.44,;-11.85,2.67,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,)|
4186 CN1CCN(CCOc2ccc(Nc3cc4n(C)c(=O)c(cc4cn3)-c3c(Cl)cccc3Cl)cc2)CC1 |(-13.19,9.6,;-13.19,8.06,;-14.52,7.29,;-14.52,5.75,;-13.19,4.98,;-13.19,3.44,;-11.85,2.67,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,;-11.85,5.75,;-11.85,7.29,)|
4187 CN1CCN(CCCOc2ccc(Nc3cc4n(C)c(=O)c(cc4cn3)-c3c(Cl)cccc3Cl)cc2)CC1 |(-18.38,8.29,;-17.09,7.44,;-15.72,8.14,;-14.43,7.29,;-14.52,5.75,;-13.19,4.98,;-13.19,3.44,;-11.85,2.67,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,;-15.9,5.06,;-17.18,5.91,)|
4188 CN1CCN(CC1)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-15.85,3.44,;-14.52,2.67,;-13.19,3.44,;-11.85,2.67,;-11.85,1.13,;-13.19,.36,;-14.52,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,)|
4189 Cn1c2cc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-9.18,-1.95,;-10.52,-1.18,;-10.52,.36,;-9.18,1.13,;-7.85,.36,;-11.85,1.13,;-11.85,2.67,;-13.19,3.44,;-14.52,2.67,;-14.52,1.13,;-13.19,.36,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4190 CCN(CC)C(=O)c1ccc(Nc2cc3n(C)c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-10.52,4.98,;-10.52,3.44,;-11.85,2.67,;-13.19,3.44,;-14.52,2.67,;-11.85,1.13,;-13.19,.36,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;-1.18,-3.43,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.85,.36,;-9.18,1.13,)|
4191 CCN(CC)CCCCNc1cc2[nH]c(=O)c(cc2cn1)-c1c(Cl)cccc1Cl |(-15.85,-1.18,;-14.52,-1.95,;-13.19,-1.18,;-13.19,.36,;-11.85,1.13,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,)|
4192 CN1CCN(CCCNc2cc3[nH]c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-15.95,-4.09,;-14.58,-3.37,;-14.52,-1.84,;-13.15,-1.12,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-11.92,-3.49,;-13.28,-4.2,)|
4193 CCN(CC)CCCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-18.31,-.65,;-18.31,.89,;-16.98,1.66,;-16.98,3.2,;-15.65,3.97,;-15.65,.89,;-14.31,1.66,;-13.04,.79,;-11.65,1.45,;-10.39,.57,;-10.51,-.96,;-9.24,-1.84,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.73,.36,;-8.99,1.23,)|
4194 Cn1c2nc(N)ccc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4195 CCN(CC)CCCNc1ccc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-13.58,.31,;-13.19,-1.18,;-11.85,-1.95,;-11.85,-3.49,;-13.19,-4.26,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,;-1.18,-1.89,;-1.18,-3.43,;-2.52,-1.12,;-3.85,-1.95,)|
4196 CN1CCN(CCCNc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1 |(-15.93,-4.12,;-14.6,-3.35,;-14.52,-1.81,;-13.14,-1.11,;-11.85,-1.95,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,;-1.18,-1.89,;-1.18,-3.43,;-2.52,-1.12,;-3.85,-1.95,;-11.93,-3.49,;-13.31,-4.19,)|
4197 Cn1c2nc(Nc3ccccc3)ccc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.18,-3.43,;-1.18,-1.89,;-2.52,-1.12,;-3.85,-1.95,;-5.18,-1.18,;-6.52,-1.95,;-7.85,-1.18,;-7.85,.36,;-9.18,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,)|
4198 COc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-13.19,.36,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,;-1.18,-1.89,;-1.18,-3.43,;-2.52,-1.12,;-3.85,-1.95,;-7.85,.36,;-9.18,1.13,)|
4199 CCN(CC)CCOc1ccc(Nc2ccc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-18.34,1.74,;-16.85,2.14,;-15.76,1.05,;-16.16,-.44,;-15.07,-1.52,;-14.27,1.45,;-13.19,.36,;-11.85,1.13,;-10.52,.36,;-10.52,-1.18,;-9.18,-1.95,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-5.18,.36,;-3.85,1.13,;-2.52,.42,;-1.18,1.19,;.15,.42,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;.15,-1.12,;1.48,-1.89,;-1.18,-1.89,;-1.18,-3.43,;-2.52,-1.12,;-3.85,-1.95,;-7.85,.36,;-9.18,1.13,)|
4200 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1C)OC |r,TLB:23:22:12.13:19.18|
4201 C(CN1CCOCC1)Nc1ncnc2scc(-c3ccccc3)c12
4202 CCN(CC)CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1 |(-12.59,.48,;-11.1,.88,;-10.01,-.21,;-10.78,-1.54,;-10.01,-2.88,;-8.53,-.61,;-7.19,.16,;-5.86,-.61,;-4.53,.16,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,;-.52,-.61,;-.52,-2.15,;-1.86,.16,;-3.19,-.61,)|
4203 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
4204 COc1ccc(cc1)-c1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
4205 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)cc1)OC |r,TLB:23:22:12.13:19.18|
4206 CCC(C)(C)n1nnnc1CN1CCC(CC1)n1c(C)nc2cc(ccc12)C(F)(F)F
4207 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:26:25:15.16:22.21|
4208 CC1(C)Cc2c(ccc3ccccc23)C(=O)N1
4209 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC |r,TLB:26:25:15.16:22.21|
4210 CC(C)n1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
4211 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC |r,TLB:26:25:15.16:22.21|
4212 Cn1nc(c(C#N)c1N1CCN(CC1)c1ccc(F)cc1)C(F)(F)F
4213 Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)|
4214 CCN(CC)C(=O)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-13.8,4.21,;-13.8,2.67,;-12.47,1.9,;-12.47,.36,;-13.8,-.41,;-11.11,2.62,;-11.05,4.16,;-9.8,1.8,;-9.86,.26,;-8.55,-.56,;-7.19,.16,;-5.86,-.61,;-4.53,.16,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,;-.52,-.61,;-.52,-2.15,;-1.86,.16,;-3.19,-.61,;-7.14,1.7,;-8.44,2.52,)|
4215 CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4216 CC(C)(C)NC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4217 CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4218 CC(C)(C)NC(=O)[C@@H]1CC(Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4219 CC(C)(C)NC(=O)[C@@H]1C[C@@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4220 CC(C)(C)NC(=O)[C@@H]1CC(Br)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4221 CC(C)(C)NC(=O)[C@@H]1CC(F)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4222 CC(C)(C)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4223 CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Sc1ccccc1 |r|
4224 CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)N1CCOCC1 |r|
4225 CC(C)(C)NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4226 COC1(C[C@H](N(C1)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)OC |r|
4227 CC(C)(C)NC(=O)[C@@H]1C(O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4228 CC(C)(C)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4229 CC(C)(C)NC(=O)[C@@H]1[C@@H](Cl)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
4230 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1 |r|
4231 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
4232 COc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4233 Cn1cc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12 |r|
4234 Cn1nc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12 |r|
4235 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1noc2ccccc12 |r|
4236 COc1cccc2cc(oc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4237 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r|
4238 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
4239 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCSC1 |r|
4240 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCS(=O)(=O)C1 |r|
4241 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
4242 [H][C@]12OC[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C)[C@@]1([H])OC[C@H]2O |r|
4243 CO[C@H]1OCC=C[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
4244 CO[C@@H]1OCC=C[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
4245 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC=C1 |r,c:35|
4246 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 |r|
4247 COC1O[C@@H]2CO[C@@H](OC)[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C)[C@@H]2O1 |r|
4248 CO[C@@H]1OCCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4249 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCC1)OC |r,TLB:23:22:12.13:19.18|
4250 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
4251 Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4252 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl |r|
4253 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Br |r|
4254 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1I |r|
4255 CCCc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4256 Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4257 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O |r|
4258 COc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1O |r|
4259 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N |r|
4260 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
4261 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1 |r|
4262 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 |r|
4263 Cc1c(F)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4264 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1Br |r|
4265 CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4266 CCCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4267 COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCc1ccccc1)OC |r|
4268 Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
4269 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
4270 CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
4271 N#C\[#6](=[#6]/c1cccnc1)C#N
4272 [O-]S(=O)(=O)c1ccc(C=C(C#N)C#N)o1
4273 [#6]-[#6](=O)-[#7]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4274 N#CC(=Cc1ncc[nH]1)C#N |(12.23,-11.09,;12.26,-9.41,;12.28,-7.72,;10.94,-6.96,;9.35,-7.62,;8.87,-6.15,;7.33,-6.16,;6.86,-7.62,;8.11,-8.52,;13.61,-6.93,;14.93,-6.15,)|
4275 [#6]-[#16]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4276 [#6]-[#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1F
4277 N=C(C(C#N)C#N)C(=Cc1ccc2[nH]ccc2c1)C#N |w:8.8|
4278 N#C\[#6](=[#6]/c1ccco1)C#N
4279 N#C\[#6](=[#6]/c1ccc(cc1)C#N)C#N
4280 N#CC(=Cc1ccn[nH]1)C#N |(14.9,-11.28,;14.93,-9.6,;14.95,-7.91,;13.61,-7.16,;12.2,-7.71,;11.72,-6.24,;10.18,-6.24,;9.7,-7.71,;10.95,-8.61,;16.28,-7.12,;17.6,-6.34,)|
4281 [#6]S(=O)c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4282 N#CC(=Cc1ccc2[nH]ccc2c1)C#N |(14.9,-11.28,;14.93,-9.6,;14.95,-7.91,;13.61,-7.16,;12.28,-7.94,;12.28,-9.48,;10.95,-10.25,;9.62,-9.48,;8.15,-9.96,;7.25,-8.71,;8.15,-7.47,;9.62,-7.94,;10.95,-7.17,;16.28,-7.12,;17.6,-6.34,)|
4283 N#C\[#6](=[#6]/c1ccc2-[#7](-[#6]-c3ccccc3)-[#6]-[#6]-c2c1)C#N
4284 [#8]-c1cc2-[#6]-[#6]\[#6](=[#6](\C#N)C#N)-c2cc1-[#8]
4285 [#8]-c1cc2-[#7]-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2cc1-[#8]
4286 [#8]-c1ccc2\[#6](-[#6]-[#6]-c2c1-[#8])=[#6](/C#N)C#N
4287 [#8]-c1ccc2-[#7]-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2c1
4288 [#6]-[#7]-1-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2cc(-[#8])ccc-12
4289 [#8-]-[#7+](=O)-c1ccc2-[#7]-[#6](=O)\[#6](=[#6](\C#N)C#N)-c2c1
4290 [#6]-[#8]-c1cc2\[#6](=[#6](/C#N)C#N)-[#6](=O)-[#7]-c2cc1-[#8]
4291 O=[#6]1-[#7]-c2ccccc2\[#6]-1=[#6](/C#N)C#N
4292 [#8]-c1cccc2\[#6](-[#6]-[#6]-[#6]-c12)=[#6](/C#N)C#N
4293 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
4294 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(F)cc2)cc1O
4295 Cc1ccc(cc1)C(=O)C(=C\c1ccc(O)c(O)c1)\C#N
4296 Oc1ccc(\C=C(/C#N)C(=O)c2ccccc2)cc1O
4297 Oc1ccc(\C=C(/C#N)C(=O)c2ccccc2Cl)cc1O
4298 Oc1ccc(\C=C(/C#N)C(=O)c2ccc(cc2)[N+]([O-])=O)cc1O
4299 Oc1ccc(\C=C(/C#N)C(=O)c2cccs2)cc1O
4300 Cc1cc(C)c(C(=O)C(=Cc2ccc(O)c(O)c2)C#N)c(C)c1 |w:9.9|
4301 NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
4302 C[C@@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r|
4303 Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O
4304 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2)cc1O
4305 C[C@H](NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N)c1ccccc1 |r|
4306 Oc1ccc(\C=C(/C#N)C(=O)NCCc2ccccc2)cc1O
4307 Oc1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1O
4308 Oc1ccc(\C=C(/C#N)C(=O)NCCCCc2ccccc2)cc1O
4309 CCOC(=O)C(Cc1ccccc1)NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
4310 Oc1ccc(\C=C(/C#N)C(=O)NC2CCCCC2)cc1O
4311 COc1ccc(CCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1OC
4312 COc1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)c(OC)c1
4313 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1O
4314 Oc1ccc(\C=C(/C#N)C(=O)N2CCc3ccccc23)cc1O
4315 Oc1ccc(\C=C(/C#N)C(=O)N2CCN(CC2)c2ccccc2)cc1O
4316 Cc1cccc(C)c1NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
4317 [#6]-[#8]-c1ccc(\[#6]=[#6](\C#N)C#N)cc1
4318 [#6]-[#8]-c1cc(-[#8]-[#6])cc(\[#6]=[#6](/C#N)C#N)c1
4319 Fc1ccc(\[#6]=[#6](/C#N)C#N)cc1
4320 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8]-[#6])c1-[#8]
4321 [#8]-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4322 N#C\[#6](=[#6]/c1ccc(cc1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)C#N
4323 [#8-]-[#7+](=O)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6](\C#N)C#N
4324 [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4325 [#6]C([#6])([#6])c1cc(\[#6]=[#6](/C#N)C#N)cc(c1-[#8])C([#6])([#6])[#6]
4326 [#8]-c1cc(\[#6]=[#6](/C#N)C#N)ccc1-[#7+](-[#8-])=O
4327 [#8]-[#6](=O)\[#6]=[#6]\c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4328 [#8]-[#6](=O)-c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4329 [#8]-c1cccc(\[#6]=[#6](/C#N)C#N)c1
4330 N#C\[#6](=[#6]/c1ccc2-[#8]-[#6]-[#8]-c2c1)C#N
4331 [#6]-[#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
4332 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)ccc1-[#8]
4333 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(c1-[#8])-[#7+](-[#8-])=O
4334 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(Br)c1-[#8]
4335 [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#7+](-[#8-])=O
4336 [#8]-c1ccc(c(\[#6]=[#6](/C#N)C#N)c1)-[#7+](-[#8-])=O
4337 O=[#6]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1
4338 [#8]-c1cc(-[#8])cc(\[#6]=[#6](/C#N)C#N)c1
4339 [#8]-c1ccc(\[#6]=[#6](/C#N)C#N)cc1-[#8]
4340 [#6]-[#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]
4341 [#8]-c1cc(\[#6]=[#6](/C#N)C#N)cc(-[#8])c1-[#8]
4342 OC(=O)C(=C\c1ccccc1)\C#N
4343 COc1ccc(\C=C(/C#N)C(O)=O)cc1
4344 OC(=O)C(=C\c1ccc(F)cc1)\C#N
4345 CN(C)c1ccc(\C=C(/C#N)C(O)=O)cc1
4346 Cc1ccc(\C=C(/C#N)C(O)=O)cc1
4347 OC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N
4348 COc1cc(\C=C(/C#N)C(O)=O)ccc1O
4349 COc1cc(\C=C(/C#N)C(O)=O)cc(OC)c1O
4350 OC(=O)C(=C\c1ccc(O)cc1)\C#N
4351 OC(=O)C(=C\c1ccc(C=O)cc1)\C#N
4352 OC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
4353 [#6]\[#6](=[#6](\C#N)C#N)-c1ccc(-[#7])cc1
4354 COc1cc(ccc1O)C(\C)=C(/C#N)C(O)=O
4355 NC(=O)C(=C\c1ccc(O)cc1)\C#N
4356 Oc1ccc(\C=C(/C#N)C(=O)NCC#N)cc1
4357 [#6]\[#6](=[#6](\C#N)C#N)-c1ccc(-[#7]-[#6](=O)-[#6]-[#6]-[#6](-[#8])=O)cc1
4358 COc1ccc(cc1)C(=O)C(C#N)C#N
4359 Oc1ccc(cc1)C(=O)C(C#N)C#N
4360 Oc1cc(cc(O)c1O)C(=O)C(C#N)C#N
4361 CC(C)(C)c1cc(\C=C(/C#N)C(N)=O)cc(c1O)C(C)(C)C
4362 COc1cccc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)c1 |r,THB:9:10:29.18:13.14|
4363 NC(=S)C(=C\c1ccc(O)c(O)c1)\C#N
4364 Oc1ccc(C=C(C#N)C(=N)C(C#N)C#N)cc1 |w:5.4|
4365 Oc1ccc(C=C(C#N)C(=N)C(C#N)C#N)cc1[N+]([O-])=O |w:5.4|
4366 Oc1ccc(C=C(C#N)C(=N)C(C#N)C#N)cc1O |w:5.4|
4367 Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O |w:4.3|
4368 COc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(O)c1O |w:5.4|
4369 Oc1cc(C=C(C#N)C(=N)C(C#N)C#N)cc(Br)c1O |w:4.3|
4370 OC(=O)C(=C/c1ccc[nH]1)\C#N
4371 N#CC(=Cc1ccc[nH]1)C#N |(13.27,-4.43,;12.5,-5.77,;11.73,-7.1,;10.27,-7.1,;9.08,-7.98,;7.83,-7.07,;6.59,-7.98,;7.06,-9.44,;8.6,-9.44,;12.5,-8.43,;13.27,-9.77,)|
4372 N#C\[#6](=[#6]/c1ccncc1)C#N
4373 Cc1ccc(-c2ncccn2)c(n1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](COc1ccccn1)C2 |r,TLB:21:20:18.17:15|
4374 OC(=O)\C=C\c1ccc(O)cc1
4375 OC(=O)\C=C\c1ccc(O)c(O)c1
4376 [#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8])cc1)\[#6](-[#8])=O
4377 NC(Cc1ccc(O)c(O)c1)C(O)=O
4378 Oc1ccc(CC(C#N)C#N)cc1
4379 Oc1ccc(\C=C\C#N)cc1
4380 OC(=O)C(=C/c1cc(O)ccc1O)\C#N
4381 COc1ccc(cc1)N=NC(C#N)C#N |w:9.10|
4382 Oc1ccc(cc1)N=NC(C#N)C#N |w:8.9|
4383 Oc1ccc(cc1)N=CC(C#N)C#N |w:8.9|
4384 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6](/C#N)C#N)-[#6](=O)-[#7]-1
4385 CC(=O)c1cc2c(C)cc(=O)oc2cc1O
4386 Cc1cccc2c(Nc3cccc(Cl)c3)ncnc12
4387 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC |r,TLB:26:25:15.16:22.21|
4388 Clc1ccccc1Nc1ncnc2ccccc12
4389 Cn1nc(c(C#N)c1N1CCN(CC1)c1ccccc1)C(F)(F)F
4390 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:23:22:12.13:19.18|
4391 CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccccc1
4392 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(F)(F)F)OC |r,TLB:26:25:15.16:22.21|
4393 CCOC(=O)c1c(NC(=O)C(C)N2CCN(CC2)C(=O)c2ccco2)sc2CCCCc12
4394 COc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1
4395 COc1cc2ncnc(Nc3cc(Cl)cc(Cl)c3)c2cc1OC
4396 COc1cc2c(Nc3cccc(Cl)c3)ncnc2c(OC)c1OC
4397 Clc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
4398 Cc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
4399 Cc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4400 Cc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
4401 Cc1ccc2ncnc(Nc3ccc(I)cc3)c2c1
4402 Cc1ccc2ncnc(Nc3ccc(cc3)C#N)c2c1
4403 Cc1ccc2ncnc(Nc3cccc(c3)C(N)=O)c2c1
4404 Cc1ccc2ncnc(Nc3cccc(c3)C(O)=O)c2c1
4405 Cc1ccc2ncnc(Nc3ccc(C)c(C)c3)c2c1
4406 Cc1ccc2ncnc(Nc3ccc4OCOc4c3)c2c1
4407 Cc1ccc2ncnc(Nc3ccccc3C)c2c1
4408 Cc1ccc2ncnc(Nc3ccc(O)cc3)c2c1
4409 Cc1ccc2ncnc(Nc3ccccc3Cl)c2c1
4410 Cc1ccc2ncnc(Nc3ccc(cc3)C(O)=O)c2c1
4411 COc1ccc(Nc2ncnc3ccc(C)cc23)cc1
4412 Cc1ccc(Nc2ncnc3ccc(C)cc23)cc1
4413 Cc1ccc2ncnc(Nc3ccccc3)c2c1
4414 Cc1ccc2ncnc(Nc3ccccc3O)c2c1
4415 COc1cc2nc(Cl)nc(Nc3ccc(C)cc3)c2cc1OC
4416 COc1cc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)c2cc1OC
4417 COc1cc2nc(nc(Nc3cccc(Cl)c3)c2cc1OC)N1CCN(C)CC1
4418 COc1cc2nc(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)c2cc1OC
4419 COc1cc2nc(nc(Nc3cccc(Cl)c3)c2cc1OC)N1CCN(CC1)c1ccccc1
4420 COc1cc2nc(Cl)nc(Nc3cccc(Cl)c3)c2cc1OC
4421 Oc1ccc(\C=C(/C#N)C(=O)N2CCCCC2)cc1O
4422 O[C@H]1CN(Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2)C[C@@H]1O |r|
4423 O[C@H]1CN(Cc2ccccc2\C=C\c2ccccc2)S(=O)(=O)N(Cc2ccccc2\C=C\c2ccccc2)C[C@@H]1O |r|
4424 O[C@H]1CN(Cc2ccccc2CCc2ccccc2)S(=O)(=O)N(Cc2ccccc2CCc2ccccc2)C[C@@H]1O |r|
4425 O[C@H]1CN(Cc2ccccc2Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2Cc2ccccc2)C[C@@H]1O |r|
4426 O[C@H]1CN(Cc2ccccc2-c2ccccc2)S(=O)(=O)N(Cc2ccccc2-c2ccccc2)C[C@@H]1O |r|
4427 Cc1ccc(cc1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(C)cc2)S1(=O)=O |r|
4428 Cc1cccc(c1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2cccc(C)c2)S1(=O)=O |r|
4429 CCCCc1ccc(cc1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(CCCC)cc2)S1(=O)=O |r|
4430 CC(C)c1cccc(c1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2cccc(c2)C(C)C)S1(=O)=O |r|
4431 O[C@H]1CN(Cc2ccccc2-c2ccc(F)cc2)S(=O)(=O)N(Cc2ccccc2-c2ccc(F)cc2)C[C@@H]1O |r|
4432 O[C@H]1CN(Cc2ccccc2-c2cccc(c2)C(F)(F)F)S(=O)(=O)N(Cc2ccccc2-c2cccc(c2)C(F)(F)F)C[C@@H]1O |r|
4433 COc1ccc(cc1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(OC)cc2)S1(=O)=O |r|
4434 CC(=O)c1ccc(cc1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(cc2)C(C)=O)S1(=O)=O |r|
4435 CCS(=O)(=O)c1ccc(cc1)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(cc2)S(=O)(=O)CC)S1(=O)=O |r|
4436 O[C@H]1CN(Cc2ccccc2-c2cccc(c2)[N+]([O-])=O)S(=O)(=O)N(Cc2ccccc2-c2cccc(c2)[N+]([O-])=O)C[C@@H]1O |r|
4437 COc1ccc(cc1OC)-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccc(OC)c(OC)c2)S1(=O)=O |r|
4438 COc1ccccc1-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccccc2OC)S1(=O)=O |r|
4439 CSc1ccccc1-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccccc2SC)S1(=O)=O |r|
4440 O[C@H]1CN(Cc2ccccc2-c2ccsc2)S(=O)(=O)N(Cc2ccccc2-c2ccsc2)C[C@@H]1O |r|
4441 O[C@H]1CN(Cc2ccccc2-c2cc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2-c2cc3ccccc3o2)C[C@@H]1O |r|
4442 CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1cccc(Br)c1
4443 CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCC
4444 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OCC
4445 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC
4446 COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1OC
4447 COc1cc2ncc(C#N)c(Nc3cccc(c3)C(F)(F)F)c2cc1OC
4448 COc1ccc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc1OC
4449 COc1cc2ncc(C#N)c(Nc3cccc(F)c3)c2cc1OC
4450 COc1cc2ncc(C#N)c(Nc3cccc(c3)C#N)c2cc1OC
4451 COc1cc2ncc(C#N)c(Nc3ccc(F)cc3)c2cc1OC
4452 COc1cc2ncc(C#N)c(Nc3cccc(c3)C(C)=O)c2cc1OC
4453 COc1cc2ncc(C#N)c(Nc3cccc(N)c3)c2cc1OC
4454 COc1cc2ncc(C#N)c(Nc3cccc(c3)N(C)C)c2cc1OC
4455 COc1cc2ncc(C#N)c(Nc3cccc(c3)[N+]([O-])=O)c2cc1OC
4456 COc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1OC
4457 COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3F)c2cc1OC
4458 COc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC
4459 COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC
4460 COc1cc2ncc(C#N)c(Nc3cccc(c3)C(N)=O)c2cc1OC
4461 COc1cc2ncc(C#N)c(Nc3ccc(C)c(Br)c3)c2cc1OC
4462 COc1cc2ncc(C#N)c(Nc3ccc(O)c(Cl)c3)c2cc1OC
4463 COc1cc2ncc(C#N)c(Nc3cc(Cl)c(O)c(Cl)c3)c2cc1OC
4464 COc1cc2ncc(C#N)c(Nc3cc(Cl)ccc3O)c2cc1OC
4465 COc1cc2ncc(C#N)c(Nc3cccc(SC)c3)c2cc1OC
4466 COc1cc2ncc(C#N)c(Nc3ccc(C)c(Cl)c3)c2cc1OC
4467 COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3F)c2cc1OC
4468 COc1cc2ncc(C#N)c(Nc3ccc(cc3)C(C)C)c2cc1OC
4469 COc1cc2ncc(C#N)c(Nc3ccccc3C(C)C)c2cc1OC
4470 COc1cc2ncc(C#N)c(Nc3cccc(c3)C(C)C)c2cc1OC
4471 COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3)c2cc1OC
4472 COc1cc2ncc(C#N)c(Nc3ccccc3Br)c2cc1OC
4473 COc1cc2ncc(C#N)c(Nc3ccc(F)c(c3)C(F)(F)F)c2cc1OC
4474 COc1cc2ncc(C#N)c(Nc3cccc(Br)c3C)c2cc1OC
4475 COc1cc2ncc(C#N)c(Nc3ccc(Br)c(C)c3)c2cc1OC
4476 COc1cc2ncc(C#N)c(Nc3cccc(c3)N=[N+]=[N-])c2cc1OC
4477 COc1cc2ncc(C#N)c(Nc3cccc(NC(C)=O)c3)c2cc1OC
4478 CCOc1cc2c(Nc3cccc(Br)c3)c(cnc2cc1OC)C#N
4479 CCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OC
4480 Brc1cccc(Nc2c(cnc3cc4OCCOc4cc23)C#N)c1
4481 COc1cc2ncc(CO)c(Nc3cccc(Br)c3)c2cc1OC
4482 COc1cc2ncc(C=O)c(Nc3cccc(Br)c3)c2cc1OC
4483 COc1cc2ncc(C(O)=O)c(Nc3cccc(Br)c3)c2cc1OC
4484 COc1cc2ncc(C(N)=O)c(Nc3cccc(Br)c3)c2cc1OC
4485 Oc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1O
4486 COCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCOC
4487 COCCOc1cc2ncc(C#N)c(Nc3cccc(Br)c3)c2cc1OCCOC
4488 Brc1cccc(Nc2c(cnc3cc4OCOc4cc23)C#N)c1
4489 Brc1cccc(Nc2c(cnc3cc4OCCCOc4cc23)C#N)c1
4490 COc1cc2c(Nc3cccc(Br)c3)ncc(C#N)c2cc1OC
4491 COc1cc2c(Nc3cccc(Cl)c3)ncc(C#N)c2cc1OC
4492 COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
4493 COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC
4494 COc1cc2nccc(Nc3ccc(Cl)cc3Cl)c2cc1OC
4495 COc1cc2ncc(C#N)c(Oc3ccc(Cl)cc3Cl)c2cc1OC
4496 COc1cc2ncc(C#N)c(Sc3ccc(Cl)cc3Cl)c2cc1OC
4497 COc1cc2ncc(C#N)c(NCc3ccc(Cl)cc3Cl)c2cc1OC
4498 COc1cc2ncc(C#N)c(N(C)c3ccc(Cl)cc3Cl)c2cc1OC
4499 COc1cc2ncc(C=O)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
4500 COc1cccc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c12
4501 COc1ccc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2c1
4502 COc1ccc2c(Nc3ccc(Cl)cc3Cl)c(cnc2c1)C#N
4503 COc1cc(OC)c2c(Nc3ccc(Cl)cc3Cl)c(cnc2c1)C#N
4504 CCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OCC
4505 CCCCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OCCCC
4506 COc1cc2ncc(C#N)c(Nc3ccccc3Cl)c2cc1OC
4507 COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3)c2cc1OC
4508 COc1cc2ncc(C#N)c(Nc3cccc(Cl)c3Cl)c2cc1OC
4509 COc1cc2ncc(C#N)c(Nc3cc(Cl)ccc3Cl)c2cc1OC
4510 COc1cc2ncc(C#N)c(Nc3c(Cl)cccc3Cl)c2cc1OC
4511 COc1cc2ncc(C#N)c(Nc3cc(Cl)cc(Cl)c3)c2cc1OC
4512 COc1cc2ncc(C#N)c(Nc3ccc(Cl)c(Cl)c3)c2cc1OC
4513 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC=C)OC |r,TLB:26:25:15.16:22.21|
4514 COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Br)c2cc1OC
4515 COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3I)c2cc1OC
4516 COc1cc2ncc(C#N)c(Nc3ccc(I)cc3Cl)c2cc1OC
4517 COc1cc2ncc(C#N)c(Nc3ccc(Br)cc3Cl)c2cc1OC
4518 Clc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OCCCN4CCOCC4)cc23)C#N)c(Cl)c1
4519 COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OCCCN1CCOCC1
4520 COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCCCN1CCOCC1)C#N
4521 COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
4522 COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCCCN1CCC(O)CC1)C#N
4523 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COC\C=C\c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
4524 COc1ccc(Cl)c(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c1
4525 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(Cl)cc1Cl
4526 CCOc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(Cl)cc1Cl
4527 CCCOc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(Cl)cc1Cl
4528 COc1cc2ncc(C#N)c(Nc3cc(O)c(Cl)cc3Cl)c2cc1OC
4529 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(F)cc1Cl
4530 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(Br)cc1Cl
4531 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1Cl
4532 Cc1ccc(-c2ncccn2)c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2 |r,TLB:21:20:18.17:15|
4533 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:26:25:15.16:22.21|
4534 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(Cl)cc1C
4535 Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
4536 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)c(C)cc1C
4537 Clc1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1Cl
4538 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1(CC[C@@]35C[C@@H]1COCC#N)OC |r,THB:9:8:6.5.19:23|
4539 COc1cc(Nc2ncnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl
4540 COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)c(Cl)cc1Cl
4541 Oc1ccccc1C=NNC(=O)CCCOc1ccc(Cl)cc1Cl |w:8.9|
4542 COc1ccc(Cl)c(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c1
4543 COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4544 COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Br)cc1Cl
4545 COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(C)cc1Cl
4546 COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(C)cc1C
4547 COc1cc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1C
4548 COc1cc(Nc2c(cnc3cc(OC)c(OCCCN4CCOCC4)cc23)C#N)c(Cl)cc1Cl
4549 COc1cc(Nc2c(cnc3cc(OCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4550 COc1cc(Nc2c(cnc3cc(OCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4551 COc1cc(Nc2c(cnc3cc(OCCCCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4553 CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
4554 COc1cc(Nc2c(cnc3cc(OCCCN4C[C@H](C)N(C)[C@H](C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl |r|
4555 CCCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
4556 COc1cc(Nc2c(cnc3cc(OCCCN4CCNCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4557 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4558 COc1cc(Nc2c(cnc3cc(OCCCN4CCCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4559 COc1cc(Nc2c(cnc3cc(OCCCN4CCCCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4560 COc1cc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4561 COc1cc(Nc2c(cnc3cc(OCCCn4nccn4)c(OC)cc23)C#N)c(Cl)cc1Cl
4562 COc1cc(Nc2c(cnc3cc(OCCCn4ccnn4)c(OC)cc23)C#N)c(Cl)cc1Cl
4563 COc1cc(Nc2c(cnc3cc(OCCCn4ccnc4)c(OC)cc23)C#N)c(Cl)cc1Cl
4564 COc1cc(Nc2c(cnc3cc(OCCCNCCN4CCOCC4)c(OC)cc23)C#N)c(Cl)cc1Cl
4565 COc1cc(Nc2c(cnc3cc(OCCCN(C)CCN(C)C)c(OC)cc23)C#N)c(Cl)cc1Cl
4566 CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4567 Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
4568 CN(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4569 CCN(CC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4570 CCCN(CCC)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4571 CC(C)N(C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4572 CC(C)N(CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)C(C)C
4573 CN(CC=C)CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4574 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCCCC4)cc23)c1
4575 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCOCC4)cc23)c1
4576 Brc1cccc(Nc2ncnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)c1
4577 COC[C@@H]1CCCN1CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
4578 CCN1CCN(CC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1
4579 COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4580 COCCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4581 COCOCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4582 OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4583 CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4584 CCN(CC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4585 CCCN(CCC)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4586 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCCCC4)cc23)c1
4587 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCOCC4)cc23)c1
4588 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCSCC4)cc23)c1
4589 COC[C@@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
4590 COC[C@H]1CCCN1C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
4591 COCCN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4592 CN(CCO)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4593 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\CN4CCC(CC4)N4CCCCC4)cc23)c1
4594 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\Cn4cccn4)cc23)c1
4595 CC(=C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4596 C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4597 COC\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4598 CN1CCC=C(C1)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |c:4|
4599 Brc1cccc(Nc2ncnc3ccc(NC(=O)C(=C)CN4CCOCC4)cc23)c1
4600 CN(C)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4601 Brc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\N4CCOCC4)cc23)c1
4602 C\C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4603 COC[C@@H]1CCCN1C\C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
4604 Nc1cc2nc(N)c(cc2cn1)-c1ccccc1
4605 CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1ccccc1
4606 CC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1ccccc1
4607 Nc1cc2nc(N)c(cc2cn1)-c1c(Cl)cccc1Cl |(-5.57,-1.95,;-4.23,-1.18,;-2.9,-1.95,;-1.57,-1.18,;-.23,-2.01,;1.1,-1.24,;2.43,-2.01,;1.1,.3,;-.23,1.07,;-1.57,.36,;-2.9,1.13,;-4.23,.36,;2.43,1.07,;3.78,.32,;3.78,-1.22,;5.1,1.11,;5.08,2.65,;3.73,3.4,;2.41,2.61,;1.08,3.38,)|
4608 CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl |(-.23,-6.63,;1.1,-5.86,;1.1,-4.32,;2.43,-3.55,;3.77,-4.32,;2.43,-2.01,;1.1,-1.24,;-.23,-2.01,;-1.57,-1.18,;-2.9,-1.95,;-4.23,-1.18,;-5.57,-1.95,;-4.23,.36,;-2.9,1.13,;-1.57,.36,;-.23,1.07,;1.1,.3,;2.43,1.07,;3.78,.32,;3.78,-1.22,;5.1,1.11,;5.08,2.65,;3.73,3.4,;2.41,2.61,;1.08,3.38,)|
4609 CC(C)(C)NC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl |(-.23,-6.63,;1.1,-5.86,;1.1,-7.4,;2.59,-6.26,;1.1,-4.32,;2.43,-3.55,;3.77,-4.32,;2.43,-2.01,;1.1,-1.24,;-.23,-2.01,;-1.57,-1.18,;-2.9,-1.95,;-4.23,-1.18,;-5.57,-1.95,;-4.23,.36,;-2.9,1.13,;-1.57,.36,;-.23,1.07,;1.1,.3,;2.43,1.07,;3.78,.32,;3.78,-1.22,;5.1,1.11,;5.08,2.65,;3.73,3.4,;2.41,2.61,;1.08,3.38,)|
4610 COc1cc(OC)cc(c1)-c1cc2cnc(N)cc2nc1N
4611 CNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
4612 CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1cc(OC)cc(OC)c1
4613 COc1cc(OC)cc(c1)-c1cc2cnc(N)cc2nc1NC(=O)NC(C)(C)C
4614 COc1cc(OC)cc(c1)-c1cc2cnc(N)cc2nc1NC(=O)Nc1ccccc1
4615 COc1cc(OC)cc(c1)-c1cc2cnc(NC(C)=O)cc2nc1NC(=O)NC(C)(C)C
4616 COc1cc(OC)cc(c1)-c1cc2cnc(NC(=O)C(F)(F)F)cc2nc1N
4617 COc1cc(OC)cc(c1)-c1cc2cnc(NC(=O)NC(C)(C)C)cc2nc1NC(=O)NC(C)(C)C
4618 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
4619 COc1cc2ncnc(Nc3ccccc3F)c2cc1OC
4620 COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC
4621 COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
4622 COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
4623 COc1cc2ncnc(Nc3ccc(I)cc3F)c2cc1OC
4624 COc1cc2ncnc(Nc3ccc(I)cc3Cl)c2cc1OC
4625 COc1cc2ncnc(Nc3ccc(F)cc3F)c2cc1OC
4626 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
4627 COc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC
4628 COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
4629 COCCOc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
4630 COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
4631 COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OCCOC
4632 COCCOc1ccc2c(Nc3ccc(Cl)cc3F)ncnc2c1
4633 COCCOc1cc2nccc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
4634 COCCOc1cc2nccc(Nc3ccc(Cl)cc3F)c2cc1OC
4635 COCCOc1cc2nncc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
4636 COCCOc1cc2nncc(Nc3ccc(Cl)cc3F)c2cc1OC
4637 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCCC1
4638 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCOCC1
4639 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCOCC1
4640 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCCN1CCOCC1
4641 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCOCC1
4642 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccsc1
4643 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCc1ccncc1
4644 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnc1
4645 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN(C)c1ccncc1
4646 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1cncn1
4647 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnn1
4648 COCC(=O)Nc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
4649 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCN(C)CC1
4650 COCC(=O)Nc1cc2ncnc(Nc3cc(O)c(C)cc3F)c2cc1OC
4651 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1
4652 COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCCn1ccnn1
4653 COc1cc2c(Nc3ccc(cc3F)C#N)ncnc2cc1OCCn1ccnn1
4654 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)-c1ccccc1)OC |r,TLB:26:25:15.16:22.21|
4656 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccncc1)OC |r,TLB:23:22:12.13:19.18|
4657 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
4658 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
4659 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCN1CCN(C)CC1
4660 Nc1c(C#N)c(-c2ccccc2)c(C#N)c2nc3ccccc3n12
4661 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc2ccccc2c1)OC |r,TLB:23:22:12.13:19.18|
4662 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCCC1
4663 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC\C=C\CN1CCCC1
4664 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC\C=C\CN1CCCC1
4665 COc1cc2c(Nc3ccc(cc3F)C#N)ncnc2cc1OC\C=C\CN1CCCC1
4666 Cc1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2cc(ccc2C)[N+]([O-])=O)c1
4667 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:23:22:12.13:19.18|
4668 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1
4669 COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCN(C)CC1
4670 COc1cc2c(Nc3cc(O)c(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1
4671 COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCC1CCN(C)CC1
4672 COc1cc2c(Nc3c(F)cc(Cl)cc3F)ncnc2cc1OCC1CCN(C)CC1
4673 COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
4674 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCC1CCNCC1
4675 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCNCC1
4676 COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCNCC1
4677 COc1cc2c(Nc3c(F)cc(Cl)cc3F)ncnc2cc1OCC1CCNCC1
4678 COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCC1CCNCC1
4679 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCC1CCN(C)CC1
4680 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCN(C)CC1
4681 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCC1CCNCC1
4682 COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1 |r|
4683 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@@H]1CCCN(C)C1 |r|
4684 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OC[C@H]1CCCN(C)C1 |r|
4685 [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCc2csc(C)n2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r|
4687 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCOC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4688 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OCC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4689 [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccc(OCCc2cccs2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r|
4690 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc2OCOc2c1 |r|
4691 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCN)S(=O)(=O)c1ccc2OCOc2c1 |r|
4692 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1ccc(N)cc1 |r|
4693 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1cccc(N)c1 |r|
4694 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4695 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4696 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4697 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCCCNC(=O)OC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4698 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r|
4699 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNC(=O)NC)S(=O)(=O)c1ccc2OCOc2c1 |r|
4700 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CCCNS(C)(=O)=O)S(=O)(=O)c1ccc2OCOc2c1 |r|
4701 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1
4702 CC(=O)N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r|
4703 NS(=O)(=O)c1ccc(cc1)C(O)=O
4704 OC(=O)c1cccc(NC#N)c1
4705 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](-[#8])=O
4706 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
4707 [#6]-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4708 CC(=O)Nc1ccc(cc1CN=O)C(O)=O
4709 CC(=O)Nc1ccc(cc1CC[N+]([O-])=O)C(O)=O
4710 [#6]S(=O)(=O)[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4711 CS(=O)(=O)Nc1ccc(cc1CN=O)C(O)=O
4712 [#6]-[#6](-[#6])-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4713 [#6]-[#7]-[#6](=O)-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4714 [#7]\[#6](-[#7])=[#7]/c1cc(ccc1S([#7])(=O)=O)-[#6](-[#8])=O
4715 [#6]S(=O)[#6]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4716 [#6]S(=O)(=O)[#6]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4717 NC(N)=Nc1cc(N)cc(c1)C(O)=O |w:3.3|
4718 [#7]\[#6](-[#7])=[#7]/c1cc(-[#7]-[#6](-[#7])=[#7])cc(c1)-[#6](-[#8])=O
4719 [#7]\[#6](-[#7])=[#7]/c1cc(-[#6]-[#7]=O)cc(c1)-[#6](-[#8])=O
4720 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COc1ccccc1)OC |r,TLB:23:22:12.13:19.18|
4721 Cc1c(NN=C(C#N)C(=O)c2ccccc2C)c(=O)n(-c2ccccc2)n1C |w:4.3|
4722 [#6]-[#6](=O)-[#7]-c1c(cc(cc1-[#6](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
4723 [#6]-[#6](=O)-[#7]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
4724 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
4725 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(cc1)C(C)(C)C)OC |r,TLB:26:25:15.16:22.21|
4726 [O-][N+](=O)c1cc(NC(=O)CSc2nc(cc(n2)C(F)(F)F)-c2cccs2)cc(OCC(F)(F)C(F)F)c1
4727 [#6]-[#6](=O)-[#7]-c1c(-[#6]-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4728 [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4729 [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#7]=O)cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4730 CS(=O)(=O)Nc1ccc(nc1)C(O)=O
4731 CC(=O)Nc1ccc(nc1)C(O)=O
4732 CC(=S)Nc1ccc(nc1)C(O)=O
4733 CC(=O)Nc1ccc(nc1N)C(O)=O
4734 CC(=O)Nc1ccc(nc1N=C(N)N)C(O)=O |w:10.10|
4735 CC(=O)Nc1cnc(cc1N)C(O)=O
4736 CS(=O)(=O)Nc1c(N)cc(nc1N)C(O)=O
4737 [#6]-[#6](=O)-[#7]-c1c(-[#7])cc(nc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
4738 [#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:12.19,5.5|
4739 [#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:13.20,6.6|
4740 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]=[#6] |r,w:7.14,4.3|
4741 [#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
4742 [#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
4743 [#6]-[#6]-[#6](-[#6]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
4744 [#6]-[#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
4745 [#6]-[#6](-[#6])-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
4746 [#6]-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
4747 [#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.24,10.10|
4748 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r,w:7.14,4.3|
4749 [#6]-[#6](-[#6]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:20.28,13.14|
4750 [#6]-[#8]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
4751 [#6]-[#6]-[#6](-[#6]-[#8]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
4752 [#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
4753 [#6]-[#6](-[#6])-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
4754 [#6]-[#7](-[#6]-[#6]=[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
4755 [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
4756 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.24,10.10|
4757 [#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13|
4758 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
4759 [#6]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
4760 [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
4761 [#6]-[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13|
4762 [#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
4763 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
4764 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
4765 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
4766 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
4767 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
4768 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
4769 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
4770 [#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
4771 [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:18.26,11.12|
4772 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
4773 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
4774 [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#7](-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
4775 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |r,w:7.14,4.3|
4776 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1 |r,w:7.14,4.3|
4777 Brc1cccc(Nc2ncnc3cnc(NC(=O)C=C)cc23)c1
4778 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(OC(F)(F)F)cc1)OC |r,TLB:23:22:12.13:19.18|
4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
4780 CN(C(=O)C=C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4781 CC(=C)C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4782 COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC#C)OC |r|
4783 C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4784 COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C1(CCC35CC1COCC=C)OC |r|
4785 Cl\C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4786 FC(F)(F)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4787 Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C=C)cc23)c1
4788 Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C=C)cc23)c1
4789 Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\c4ccccc4)cc23)c1
4790 CC(=O)C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |w:4.4|
4791 OC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4792 CCOC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4793 CCOC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4794 CN(C)CCN(C(=O)C=C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4795 Brc1cccc(Nc2ncnc3cnc(cc23)N(CCCN2CCOCC2)C(=O)C=C)c1
4796 Brc1cccc(Nc2ncnc3ccc(cc23)N(CCCN2CCOCC2)C(=O)C=C)c1
4797 CN(C)CCCOC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4798 CN(C)CCCNC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
4799 CN(C)CCCNC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4800 CCN(CC)CCCNC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4801 Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C(=O)NCCCN4CCOCC4)cc23)c1
4802 Brc1cccc(Nc2ncnc3cnc(NC(=O)\C=C\C(=O)NCCCn4ccnc4)cc23)c1
4803 CN(C)CCCNC(=O)\C=C\C(=O)N(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4804 Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\C(=O)NCCCN4CCOCC4)cc23)cc1Cl
4805 Brc1cccc(Nc2ncnc3cnc(NS(=O)(=O)C=C)cc23)c1
4806 Brc1cccc(Nc2ncnc3ccc(NS(=O)(=O)C=C)cc23)c1
4807 OCCS(=O)(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
4808 Brc1cccc(Nc2ncnc3cnc(cc23)S(=O)(=O)C=C)c1
4809 Brc1cccc(Nc2ncnc3cnc(cc23)S(=O)C=C)c1
4810 Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
4811 Cc1[nH]c(\C=C2/C(=O)Nc3ccccc23)c(C)c1CCC(O)=O
4812 CN1CCN(CCCc2c(C)[nH]c(\C=C3/C(=O)Nc4ccccc34)c2C)CC1
4813 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccccc23)c1C
4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
4815 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Cl)cc23)c1C
4816 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c1C
4817 CN(C)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
4818 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCCC1
4819 CN1CCC(CNC(=O)c2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
4820 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN1CCOCC1
4821 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCc1ccncc1
4822 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCn1ccnn1
4823 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1ccccc1
4824 CN1CCN(CC1)c1cccc2C(=O)c3ccccc3C(=O)c12
4825 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cccc(Cl)c1Cl
4826 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)ccc(Cl)c1Cl |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;3.58,1.94,;3.58,.4,;4.91,2.71,;4.91,4.25,;3.58,5.02,;3.58,6.56,;2.24,4.25,;.91,5.02,)|
4827 COc1nc(Nc2[nH]nc3c2CN(C(=O)NC2CC2c2ccccc2)C3(C)C)nc(n1)N1CCCC1C#N
4828 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Br |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;3.58,1.94,;3.58,.4,;4.91,2.71,;4.91,4.25,;3.58,5.02,;2.24,4.25,;.91,5.02,)|
4829 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(F)cccc1F |(6.86,-1.2,;5.37,-.8,;4.97,.69,;6.46,.29,;4.28,-1.89,;2.8,-1.49,;1.71,-2.58,;2.4,-0,;.91,.4,;-.42,-.37,;-1.76,.4,;-3.09,-.37,;-4.43,.4,;-5.76,-.37,;-4.43,1.94,;-3.09,2.71,;-1.76,1.94,;-.42,2.71,;.91,1.94,;2.24,2.71,;2.24,4.25,;.91,5.02,;3.58,5.02,;4.91,4.25,;4.91,2.71,;3.58,1.94,;3.58,.4,)|
4830 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(F)cc(F)c1
4831 CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
4832 Cc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4833 Cc1ccc(cc1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4834 COc1cc(cc(OC)c1OC)C(=O)NC(=S)NNC(=O)c1cnccn1
4835 Cc1cccc(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4836 Cc1cc(C)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4837 Cc1cc(C)c(c(C)c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(6.24,5.02,;4.91,4.25,;3.58,5.02,;2.24,4.25,;.91,5.02,;2.24,2.71,;3.58,1.94,;3.51,.4,;4.82,2.53,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|
4838 Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)c2sccc2n1 |r|
4839 Cc1c(C)c(C)c(c(C)c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(6.26,4.98,;4.91,4.25,;3.58,5.02,;3.58,6.56,;2.24,4.25,;.91,5.02,;2.24,2.71,;3.58,1.94,;3.51,.4,;4.82,2.53,;6.1,1.67,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|
4840 CCN(CC)CCOc1ccc(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(7.58,11.95,;6.24,11.18,;6.24,9.64,;7.58,8.87,;8.91,9.64,;4.91,8.87,;4.91,7.33,;3.58,6.56,;3.58,5.02,;4.91,4.25,;4.82,2.53,;3.58,1.94,;3.51,.4,;2.24,2.71,;2.24,4.25,;.91,5.02,;.91,1.94,;-.42,2.71,;-1.76,1.94,;-3.09,2.71,;-4.43,1.94,;-4.43,.4,;-5.76,-.37,;-3.09,-.37,;-1.76,.4,;-.42,-.37,;.91,.4,;2.4,-0,;2.8,-1.49,;1.71,-2.58,;4.28,-1.89,;5.37,-.8,;6.86,-1.2,;4.97,.69,;6.46,.29,)|
4841 CCc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4842 CCc1cc(CC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4843 COc1ccccc1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4844 COc1cccc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4845 COc1ccc(cc1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4846 COc1ccc(cc1OC)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4847 CC(C)(C)OC(=O)NCC(=O)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
4848 CCOc1cccc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4849 CCOc1cc(OCC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C
4850 CN(C)c1cc(cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C)N(C)C
4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
4852 CN(c1ccc(Cl)cc1)c1nnc(Cc2ccncc2)c2ccccc12
4853 Clc1ccc(Oc2nnc(Cc3ccncc3)c3ccccc23)cc1
4854 Clc1ccc(Sc2nnc(Cc3ccncc3)c3ccccc23)cc1
4855 Clc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1
4856 Clc1ccc(Nc2nnc(Cc3ccccn3)c3ccccc23)cc1
4857 Clc1ccc(Nc2nnc(Cc3ccncn3)c3ccccc23)cc1
4858 Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1
4859 Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc(C)n1
4860 Clc1ccc(Nc2nnc(NCc3ccncc3)c3ccccc23)cc1
4861 CC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12 |w:1.0|
4862 Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1
4863 Cc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1
4864 Clc1ccc(Nc2nnc(Cc3ccncc3)c3cccnc23)cc1
4865 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1
4866 Clc1ccc(Nc2nnc(Cc3ccncc3)c3cnccc23)cc1
4867 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1
4868 Clc1ccc(Nc2nnc(Cc3ccncc3)c3CCCCc23)cc1
4869 Cc1c(C)c(Nc2ccc(Cl)cc2)nnc1Cc1ccncc1
4870 C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
4871 Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
4872 CC(C)(C)c1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
4873 C(c1ccncc1)c1nnc(Nc2ccc(cc2)-c2ccccc2)c2ccccc12
4874 COc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
4875 Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
4876 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
4877 COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
4878 Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
4879 FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
4880 FC(F)(F)c1cc(Br)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
4881 Fc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc(c1)C(F)(F)F
4882 Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
4883 Cc1c[nH]c(\C=C2/C(=O)Nc3cccc(C)c23)c1CCC(O)=O
4884 Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c1CCC(O)=O
4885 COc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(C)c3CCC(O)=O)C(=O)Nc2c1
4886 CCOc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(C)c3CCC(O)=O)C(=O)Nc2c1
4887 Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccccc12
4888 Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(cc12)C(O)=O
4889 Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(cc12)S(N)(=O)=O
4890 COc1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
4891 Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2cc(ccc12)-c1ccccc1
4892 COc1cccc(c1)-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
4893 COc1ccccc1-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
4894 COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]cc(CCC(O)=O)c3C)C(=O)Nc2c1
4895 COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4=CCOCC4)c(OC)nn23)c(OC)c1 |t:21,(-.06,-6.8,;1.43,-7.2,;2.51,-6.11,;2.12,-4.62,;3.2,-3.53,;2.81,-2.04,;3.9,-.95,;5.38,-1.35,;1.32,-1.64,;.92,-.16,;1.83,1.09,;.92,2.33,;-.54,1.86,;-2.01,2.33,;-2.41,3.82,;-3.9,4.22,;-4.29,5.71,;-3.9,7.2,;-5.38,6.8,;-1.32,4.91,;.22,4.91,;.99,6.25,;2.53,6.25,;3.3,4.91,;2.53,3.58,;.99,3.58,;-2.91,1.09,;-4.45,1.09,;-5.22,-.24,;-2.01,-.16,;-.54,.32,;.23,-2.73,;-1.26,-2.33,;-2.35,-3.42,;.63,-4.22,)|
4896 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(Br)cc23)c(C)c1CCC(O)=O
4897 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)c(C)c1CCC(O)=O
4898 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c(C)c1CCC(O)=O
4899 COc1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1
4900 Cc1[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)c(C)c1CCC(O)=O
4901 COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1
4902 COc1ccccc1-c1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1
4903 COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c(C)c(CCC(O)=O)c3C)C(=O)Nc2c1
4904 O=C1Nc2ccccc2\C1=C\c1cc2CCCCc2[nH]1
4905 Brc1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
4906 NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
4907 OC(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
4908 COc1ccc2\C(=C\c3cc4CCCCc4[nH]3)C(=O)Nc2c1
4909 O=C1Nc2cc(ccc2\C1=C\c1cc2CCCCc2[nH]1)-c1ccccc1
4910 COc1cccc(c1)-c1ccc2\C(=C\c3cc4CCCCc4[nH]3)C(=O)Nc2c1
4911 COc1ccccc1-c1ccc2\C(=C\c3cc4CCCCc4[nH]3)C(=O)Nc2c1
4912 COc1ccc(cc1)-c1ccc2\C(=C\c3cc4CCCCc4[nH]3)C(=O)Nc2c1
4913 COCc1cc(OC)c(-c2csc3c(N(CC4CC4)CC4(F)CCOCC4)c(OC)nn23)c(OC)c1 |(39.04,-16.42,;38.3,-15.08,;36.76,-15.05,;36.01,-13.7,;34.47,-13.68,;33.73,-12.33,;32.19,-12.31,;31.39,-13.63,;34.51,-11.01,;33.77,-9.67,;34.64,-8.4,;33.72,-7.18,;32.26,-7.69,;30.79,-7.24,;30.24,-5.8,;28.72,-5.55,;27.75,-6.74,;26.31,-7.29,;27.5,-8.26,;31,-4.46,;30.21,-3.13,;31.74,-3.13,;30.96,-1.8,;30.17,-.47,;28.63,-.49,;27.88,-1.83,;28.67,-3.16,;29.9,-8.51,;28.37,-8.54,;27.63,-9.89,;30.84,-9.73,;32.29,-9.22,;36.05,-11.04,;36.84,-9.72,;38.38,-9.74,;36.8,-12.39,)|
4914 OC(=O)CCc1c(\C=C2/C(=O)Nc3ccccc23)[nH]c2CCCCc12
4915 OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(Br)cc23)[nH]c2CCCCc12
4916 NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(O)=O)c2c1
4917 OC(=O)CCc1c(\C=C2/C(=O)Nc3ccc(cc23)C(O)=O)[nH]c2CCCCc12
4918 COc1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
4919 OC(=O)CCc1c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2)[nH]c2CCCCc12
4920 COc1cccc(c1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
4921 COc1ccccc1-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
4922 COc1ccc(cc1)-c1ccc2\C(=C\c3[nH]c4CCCCc4c3CCC(O)=O)C(=O)Nc2c1
4923 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCN |r,c:3|
4924 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCO |r,c:3|
4925 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCC(O)=O |r,c:3|
4926 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
4927 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3|
4928 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCC |r,c:3|
4929 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3|
4930 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#7] |r,c:3|
4931 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#6] |r,c:3|
4932 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6] |r,c:3|
4933 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6]-[#6]-[#6] |r,c:3|
4934 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
4935 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N1C(C)CCC1C |r,c:3|
4936 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCC)CCCC |r,c:3|
4937 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3|
4938 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC=C)CC=C |r,c:3|
4939 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NC1CCCCC1 |r,c:3|
4940 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6] |r,c:3|
4941 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC |r,c:3|
4942 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] |r,c:3|
4943 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCC |r,c:3|
4944 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)Cc1ccccc1 |r,c:3|
4945 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3|
4946 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-c1ccccc1 |r,c:3|
4947 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCc1ccccc1 |r,c:3|
4948 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCCCCCCC |r,c:3|
4949 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |r,c:3|
4950 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCc1ccccc1 |r,c:3|
4951 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3|
4952 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCc1ccccc1 |r,c:3|
4953 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(O)=O |r,c:3|
4954 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(N)=O |r,c:3|
4955 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN(C)C)CCc1ccccc1 |r,c:3|
4956 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN=[N+]=[N-])CCc1ccccc1 |r,c:3|
4957 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCO)CCc1ccccc1 |r,c:3|
4958 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(C)C |r,c:3|
4959 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C(C)C |r,c:3|
4960 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN)CCc1ccccc1 |r,c:3|
4961 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C1CC1 |r,c:3|
4962 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCO)CCc1ccccc1 |r,c:3|
4963 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(OC)cc1 |r,c:3|
4964 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(O)cc1 |r,c:3|
4965 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(OC)c1 |r,c:3|
4966 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(O)c1 |r,c:3|
4967 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)-c1ccccc1 |r,c:3|
4968 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cl)cc1Cl |r,c:3|
4969 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)C(C)C |r,c:3|
4970 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cc2ccccc2)cc1 |r,c:3|
4971 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1OC |r,c:3|
4972 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(c1)-c1ccccc1 |r,c:3|
4973 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1C(=O)N1CCCC1)C(O)=O |r,c:7|
4974 CC1CCCN1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
4975 Oc1ccccc1C=NNC(=O)CCn1cnc(c1-c1ccccc1)-c1ccccc1 |w:8.9|
4976 C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
4977 C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
4978 CC[C@H]1CC[C@@H](CC)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
4979 CCCCN(C1CCOCC1)c1c(OC)nn2c(csc12)-c1c(OC)cc(COC(C)C)cc1OC |(3.14,4.46,;1.66,4.86,;.57,3.77,;-.92,4.17,;-2.01,3.08,;-3.51,3.81,;-3.51,5.35,;-4.84,6.12,;-6.18,5.35,;-6.18,3.81,;-4.84,3.04,;-1.61,1.59,;-2.52,.35,;-4.06,.35,;-4.83,-.99,;-1.61,-.9,;-.15,-.42,;1.32,-.9,;2.22,.35,;1.32,1.59,;-.15,1.12,;1.72,-2.39,;3.2,-2.79,;4.29,-1.7,;5.78,-2.1,;3.6,-4.27,;2.51,-5.36,;2.91,-6.85,;1.82,-7.94,;.34,-7.54,;-.75,-8.63,;-.06,-6.05,;1.03,-4.96,;.63,-3.48,;-.86,-3.08,;-1.95,-4.17,)|
4980 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1O)C(O)=O |r,c:8|
4981 CO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:3|
4982 CCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:4|
4983 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
4984 CCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
4985 CCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
4986 CCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
4987 CCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
4988 CCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
4989 CCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
4990 CCCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
4991 CC(C)CO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
4992 CC[C@@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
4993 CC[C@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
4994 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
4995 CC[C@@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
4996 CC[C@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
4997 CCCCCCC[C@H](CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
4998 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC1CCCCC1)C(O)=O |r,c:8|
4999 CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
5000 CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
5001 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1Oc1ccccc1)C(O)=O |r,c:8|
5002 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCc1ccccc1)C(O)=O |r,c:8|
5003 CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
5004 CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
5005 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(Cc1ccccc1)Cc1ccccc1)C(O)=O |r,c:8|
5006 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(CCCc1ccccc1)CCCc1ccccc1)C(O)=O |r,c:8|
5007 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCCCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:8|
5008 CC(=O)N[C@H]1[C@H](O)C=C(C[C@@H]1N=C(N)N)C(O)=O |r,c:7|
5009 CCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
5010 CCCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
5011 CC[C@@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
5012 CC[C@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
5013 CCC(CC)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
5014 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C |r,c:18|
5015 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F |r,c:18|
5016 CCC(CC)O[C@@H]1C=C([C@@H](C)[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
5017 [#6]-[#6](=O)-[#7]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
5018 CCCCC(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r|
5019 [H][C@@](CCCC)(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r,w:12.19|
5020 [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@@H](C[C@H]1N=C(N)N)C(O)=O |r|
5021 [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
5022 [H][C@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
5023 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
5024 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
5025 [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
5026 Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)(C)C
5027 Cc1c(s\c(=N/S(=O)(=O)c2ccccc2[N+]([O-])=O)n1C)C(C)(C)C
5028 Cc1c(s\c(=N/S(=O)(=O)c2ccccc2Cl)n1C)C(C)(C)C
5029 Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2)n1C)C(C)(C)C
5030 Cc1c(s\c(=N/S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)n1C)C(C)(C)C
5031 Cc1c(s\c(=N/S(=O)(=O)c2ccc(Cl)cc2)n1C)C(C)(C)C
5032 COc1ccccc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
5033 COc1cccc(c1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
5034 COc1ccc(cc1)S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
5035 Cc1c(s\c(=N/S(=O)(=O)c2ccccc2)n1C)C(C)(C)C
5036 Cc1c(s\c(=N/S(=O)(=O)c2ccccc2O)n1C)C(C)(C)C
5037 Cc1c(s\c(=N/S(=O)(=O)c2cccc(O)c2)n1C)C(C)(C)C
5038 Cc1c(s\c(=N/S(=O)(=O)c2ccc(O)cc2)n1C)C(C)(C)C
5039 Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2[N+]([O-])=O)n1C)C(C)(C)C
5040 Cc1c(s\c(=N/S(=O)(=O)c2cccc(Cl)c2O)n1C)C(C)(C)C
5041 Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n1C)C(C)(C)C
5042 Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2N)n1C)C(C)(C)C
5043 CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
5044 Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2NS(C)(=O)=O)n1C)C(C)(C)C
5045 COC(=O)c1ccc(Cl)cc1S(=O)(=O)\N=c1/sc(c(C)n1C)C(C)(C)C
5046 Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C(N)=O)n1C)C(C)(C)C
5047 Cc1c(s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n1C)C(C)(C)C
5048 CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1C
5049 CC(C)c1s\c(=N/S(=O)(=O)c2cc(F)ccc2C#N)n(C)c1C
5050 CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2C#N)n(C)c1C
5051 CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2O)n(C)c1Cl
5052 CC(C)c1s\c(=N/S(=O)(=O)c2cc(Br)ccc2O)n(C)c1Cl
5053 CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1C
5054 CC(C)c1s\c(=N/S(=O)(=O)c2cc(Cl)ccc2C#N)n(C)c1Cl
5055 CC(C)c1s\c(=N/S(=O)(=O)c2cc(ccc2C#N)C#N)n(C)c1Cl
5056 CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1Cl
5057 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(C)cc2)no1 |r|
5058 CC(C)c1ccc(Cc2noc(n2)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)cc1 |r|
5059 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2)no1 |r|
5060 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc(Cl)c2)no1 |r|
5061 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)cc2Cl)no1 |r|
5062 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2c(C)cc(C)cc2C)no1 |r|
5063 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc3ccccc23)no1 |r|
5064 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCc2ccccc2)no1 |r|
5065 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(C)cc2)no1 |r|
5066 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Cl)cc2)no1 |r|
5067 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2cccc(c2)C(F)(F)F)no1 |r|
5068 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(F)cc2)no1 |r|
5069 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Br)cc2)no1 |r|
5070 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2cccc(Cl)c2)no1 |r|
5071 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(I)cc2)no1 |r|
5072 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Br)c(Br)c2)no1 |r|
5073 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Cl)c(Br)c2)no1 |r|
5074 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(I)c(Cl)c2)no1 |r|
5075 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(I)c(Br)c2)no1 |r|
5076 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC(C)(C)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5077 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5078 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCCc1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5079 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5080 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5081 CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5082 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)cc2)no1 |r|
5083 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(F)cc2)no1 |r|
5084 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Br)cc2)no1 |r|
5085 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(I)cc2)no1 |r|
5086 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5087 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1cccs1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5088 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccc(F)c(F)c1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5089 COc1ccc(CC(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@H](C)c2nc(Cc3ccc(cc3)C(F)(F)F)no2)cc1 |r|
5090 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccc2ccccc2c1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5091 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1c[nH]c2ccccc12)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5092 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)no1 |r|
5093 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r|
5094 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccc3ccccc3c2)no1 |r|
5095 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r|
5096 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc3ccccc3c2)no1 |r|
5097 C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5098 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r|
5099 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc3ccccc3c2)no1 |r|
5100 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5101 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5102 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCc1ccccc1)c1nc(Cc2ccc3ccccc3c2)no1 |r|
5103 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCc1ccccc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r|
5104 OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(cc2)C(F)(F)F)no1 |r|
5105 OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc(Cl)c(Cl)c2)no1 |r|
5106 OC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)Cc1ccccc1)c1nc(Cc2ccc3ccccc3c2)no1 |r|
5107 Cc1[nH+]c([N-]S(=O)(=O)c2cccc(c2)[N+]([O-])=O)sc1C(C)(C)C
5108 CCc1sc2c(NC(=O)C3(O)CC3)c(OC)nn2c1-c1c(OC)cc(COC)cc1OC |(4.71,2.99,;3.94,1.65,;2.4,1.65,;1.49,2.9,;.03,2.42,;-1.44,2.9,;-1.91,4.36,;-.88,5.51,;-1.36,6.97,;.62,5.19,;.23,3.7,;1.96,5.96,;1.71,4.1,;-2.34,1.65,;-3.88,1.65,;-4.65,.32,;-1.44,.41,;.03,.88,;1.49,.41,;1.89,-1.08,;.8,-2.17,;-.69,-1.77,;-1.77,-2.86,;1.2,-3.66,;2.69,-4.05,;3.09,-5.54,;2,-6.63,;2.4,-8.12,;3.78,-2.97,;3.38,-1.48,;4.47,-.39,;5.96,-.79,)|
5109 Cc1cs\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C
5110 Cc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
5111 CCc1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
5112 CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C
5113 CC(=O)c1sc(=NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C |w:6.6|
5114 CC(C)c1cn(C)\c(=N\S(=O)(=O)c2cccc(c2)[N+]([O-])=O)s1
5115 CC(C)Cc1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C
5116 CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(F)(F)F
5117 COC(=O)c1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C
5118 C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCOC2)c1 |r|
5119 CCn1c(C)c(s\c1=N/S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(C)(C)C
5120 Cc1c(C=C)s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C
5121 CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C(N)=O
5122 CC(C)c1s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n(C)c1C#N
5123 Fc1ccc(Nc2ncnc3NC(=O)\C(=C/c4ccc[nH]4)c23)cc1Cl
5124 Cc1[nH]c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)c(C)c1CCC(O)=O
5125 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)c1C
5126 Cc1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
5127 Cc1cc(CCC(O)=O)[nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c12
5128 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c12)C(O)=O
5129 Fc1ccc(Nc2ncnc3NC(=O)\C(=C/c4ccc([nH]4)C(=O)NCCN4CCOCC4)c23)cc1Cl
5130 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c12)C(=O)NCCN1CCOCC1
5131 CN1C(=O)\C(=C/c2[nH]c(C)cc2C)c2c1ncnc2Nc1ccc(F)c(Cl)c1
5132 CN1C(=O)\C(=C/c2[nH]c(cc2C)C(=O)NCCN2CCOCC2)c2c1ncnc2Nc1ccc(F)c(Cl)c1
5133 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c12)C(=O)N1CCOCC1
5134 CN1CCN(CC1)C(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
5135 CN1CCN(CC1)C(=O)c1[nH]c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)cc1C
5136 CN1CCN(CC1)C(=O)c1c[nH]c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)c1C
5137 CCN1CCN(CC1)C(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
5138 CCN(CC)CCNC(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
5139 CC1CN(CC(C)N1)C(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
5140 CCN(CC)CC(O)CNC(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c23)[nH]1
5141 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3cccc(c3)C#C)c12)C(=O)NCCN1CCOCC1
5142 CCN(CC)CCNC(=O)c1cc(C)c(\C=C2/C(=O)Nc3ncnc(Nc4ccc(Cl)cc4F)c23)[nH]1
5143 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4CCCc4c3)c12)C(=O)N1CCOCC1
5144 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12)C(=O)N1CCOCC1
5145 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N1CCOCC1
5146 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c12)C(=O)NCCN1CCOCC1
5147 Cc1cc([nH]c1\C=C1/C(=O)Nc2ncnc(N3CCCCC3)c12)C(=O)N1CCOCC1
5148 Oc1cc(\C=C(/C#N)C(=O)NCCCNC(=O)C(=C\c2cc(O)c(O)c(Br)c2)\C#N)cc(Br)c1O
5149 Oc1ccc(\C=C(/C#N)C(=O)NCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5150 Oc1ccc(\C=C(/C#N)C(=O)NCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5151 Oc1ccc(\C=C(/C#N)C(=O)NCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5152 Oc1cc(\C=C(/C#N)C(=O)NCCCCNC(=O)C(=C\c2cc(O)c(O)c(O)c2)\C#N)cc(O)c1O
5153 Oc1ccc(\C=C(/C#N)C(=O)NCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5154 Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5155 Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5156 Oc1ccc(\C=C(/C#N)C(=O)NCc2cccc(CNC(=O)C(=C\c3ccc(O)c(O)c3)\C#N)c2)cc1O
5157 Oc1ccc(\C=C(/C#N)C(=O)NCC2CCCC(CNC(=O)C(=C\c3ccc(O)c(O)c3)\C#N)C2)cc1O
5158 COc1cc(\C=C(/C#N)C(=O)NCCCCNC(=O)C(=C\c2cc(OC)c(O)c(c2)[N+]([O-])=O)\C#N)cc(c1O)[N+]([O-])=O
5159 Oc1ccc(\C=C(/C#N)C(=O)NC2CCCCC2NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5160 Oc1ccc(\C=C(/C#N)C(=O)NCCCCCCCCNC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5161 Oc1ccc(\C=C(/C#N)C(=O)NCCN2CCN(CC2)C(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5162 Oc1ccc(\C=C(/C#N)C(=O)N2CCN(CC2)C(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5163 O=C(NCCCNC(=O)C(=C\c1ccc2[nH]ccc2c1)\C#N)C(=C\c1ccc2[nH]ccc2c1)\C#N
5164 Oc1ccc(\C=C(/C#N)S(=O)(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1O
5165 Oc1cc(\C=C(/C#N)S(=O)(=O)C(=C\c2cc(O)c(O)c(Br)c2)\C#N)cc(Br)c1O
5166 COc1cc(\C=C(/C#N)S(=O)(=O)C(=C\c2cc(O)c(O)c(OC)c2)\C#N)cc(O)c1O
5167 Fc1ccc(COc2cccc3C(=O)N(Cc4ccccc4)CCc23)cc1
5168 CC[C@@H](NS(=O)(=O)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1)c1ccc(F)c(OCC2CC2)c1 |r|
5169 CC(NC(=O)C(=C\c1ccc2[nH]ccc2c1)\C#N)c1ccccc1
5170 Oc1ccc(cc1O)C(=O)C(=C\c1ccc2[nH]ccc2c1)\C#N
5171 Oc1ccc(cc1O)C(=O)C(=C\c1c[nH]c2ccccc12)\C#N
5172 N#CC(=Cc1c[nH]c2ccccc12)C#N |(2.53,2.99,;1.76,4.33,;.99,5.66,;-.55,5.66,;-1.64,4.57,;-.73,3.32,;-1.64,2.08,;-3.1,2.55,;-4.32,1.78,;-5.65,2.55,;-5.65,4.1,;-4.32,4.87,;-3.1,4.1,;1.76,6.99,;2.53,8.33,)|
5173 NC(=S)C(=C\c1c[nH]c2ccccc12)\C#N
5174 N=C(C(C#N)C#N)C(=Cc1c[nH]c2ccccc12)C#N |w:8.8|
5175 O=C(\C(=C\c1c[nH]c2ccccc12)C#N)c1ccccc1
5176 NC(=O)C(=C\c1c[nH]c2ccccc12)\C#N
5177 Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N |w:6.6|
5178 N#C\C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2s1
5179 COc1ccc2nc(Cl)c(cc2c1)-c1ccccc1
5180 Clc1nc2cc3OCOc3cc2cc1-c1ccccc1
5181 COc1cc2nc(Cl)c(cc2c(OC)c1OC)-c1ccccc1
5182 COc1ccc(OC)c2nc(Cl)c(cc12)-c1ccccc1
5183 COc1cc2cc(c(Cl)nc2cc1OC)-c1ccccc1
5184 COc1cc2cc(-c3ccccc3)c(nc2cc1OC)-c1ccccc1
5185 COC(=O)c1cc2cc(OC)c(OC)cc2nc1-c1ccc(cc1)[N+]([O-])=O
5186 O=C(Cc1ccccc1)Nc1cnc2ccccc2c1
5187 N#C\[#6](=[#6]\c1ccnc2ccccc12)C#N
5188 N#C\[#6](=[#6]\c1cccc2ccccc12)C#N
5189 NC(=O)C(=C\c1cccc2ccccc12)\C#N
5190 [H][C@]1(N[C@H](C[C@H]1C(=O)OCC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5191 [H][C@]1(N[C@H](C[C@H]1COC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5192 [H][C@]1(N[C@H](C[C@H]1C(=O)CC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5193 [H][C@]1(N[C@H](C[C@H]1C(=O)NC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5194 [H][C@]1(N[C@H](C[C@H]1N)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5195 [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5196 [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5197 [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5198 [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5199 [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5200 [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5201 [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5202 [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5203 [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5205 [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r|
5206 [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r|
5207 [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
5209 OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccccc1O |w:14.14,4.4|
5210 CC(=O)Nc1c(cc(cc1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N |r|
5211 C[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 |r|
5212 c1scc2c1ncc1cnccc21
5213 COCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
5214 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCCC(F)(F)F)C(O)=O |r,c:8|
5215 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCC=C)C(O)=O |r,c:8|
5216 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC1CCCC1)C(O)=O |r,c:8|
5217 C[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(SCC2CC2)c1 |r|
5218 CC(C)C=NNC(=O)c1[nH]c2ccc(cc2c1C)[N+]([O-])=O |w:4.4|
5219 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |r,c:5|
5220 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |r,c:5|
5221 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O |r,c:5|
5222 CCCO[C@@H]1C=C(C[C@H](N=CN)[C@H]1NC(C)=O)C(O)=O |r,w:10.10,c:5|
5223 OC(C1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 |@:1|
5224 CCCO[C@@H]1C=C(C[C@H](N=C(N)NC)[C@H]1NC(C)=O)C(O)=O |r,w:10.10,c:5|
5225 CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
5226 CCCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
5227 CCC(CC)N(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
5228 CN(CCc1ccccc1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
5229 CN(C1CCCCC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
5230 CCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
5231 CCCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
5232 CCCN(CCC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
5233 CCCN[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
5234 CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
5235 CCC(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
5236 CC(C)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
5237 CCC(CC)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
5238 CCCS[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
5239 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1Cl |r,c:18|
5240 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1SC |r,c:18|
5241 COc1ccc(cc1)-n1cnc(N)c1C(=O)c1cccc(c1)[N+]([O-])=O
5242 CCCC[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
5243 CCC(CC)C(=O)N1N=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
5244 [#6]-[#6]-[#6](-[#6]-[#6])-[#6](=O)-[#7]-1-[#7]=[#6](-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
5245 CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
5246 [H][C@@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
5247 [H][C@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
5248 [H][C@@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
5249 [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
5250 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCC1)C(O)=O |r,c:8|
5251 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCC1)C(O)=O |r,c:8|
5252 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC1)C(O)=O |r,c:8|
5253 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCC1)C(O)=O |r,c:8|
5254 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCCC1)C(O)=O |r,c:8|
5255 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCCCC1)C(O)=O |r,c:8|
5256 CCC1(CC)CN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
5257 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCOCC1)C(O)=O |r,c:8|
5258 CN1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
5259 CC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
5260 CCC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
5261 CCCC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
5262 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1C2CCC1CCC2)C(O)=O |r,c:8|
5263 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC[C@@H]1CO)C(O)=O |r,c:8|
5264 OC(C1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1ccc(F)cc1)c1ccc(F)cc1 |@@:1|
5265 [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#6]=[#6](-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] |r,c:6|
5266 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6@H]-1-[#8]-[#6](=[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:11|
5267 CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O
5268 CCC(CC)Nc1cc(ccc1NC(C)=O)C(O)=O
5269 CCC(CC)Oc1cc(ccc1NC(C)=O)C(O)=O
5270 CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O
5271 CCC(CC)Oc1cc(cc(N)c1NC(C)=O)C(O)=O
5272 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
5273 CC(=O)Nc1ccc(cc1O)C(O)=O
5274 CC(=O)Nc1ccc(cc1N)C(O)=O
5275 OC(C1CCCN1S(=O)(=O)CCCn1ccc(=O)[nH]c1=O)(c1cccc(F)c1)c1cccc(F)c1 |@@:1|
5276 Cc1noc(\C=C\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cn1
5277 CN(CC1(CC1)c1ccccc1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O
5278 NC(=N)Nc1cc(ccc1N1CCCC1=O)C(O)=O
5279 NC(=N)Nc1cc(ccc1N1C(CO)CCC1=O)C(O)=O
5280 N(c1ncc(s1)-c1ccccc1)c1ccccn1
5281 C(N1CCCC1)c1ccc(Nc2ncc(s2)-c2ccccc2)nc1
5282 C(N1CCCC1)c1ccnc(Nc2ncc(s2)-c2ccccc2)c1
5283 CC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)-c3ccccc3)c2)CC1
5284 CS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)-c3ccccc3)c2)CC1
5285 CC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
5286 N#Cc1cnc(Nc2cc(CN3CCNCC3)ccn2)s1
5287 N#Cc1cnc(Nc2cc(CN3CCOCC3)ccn2)s1
5288 NC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
5289 CN(C)C(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
5290 CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
5291 OCC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
5292 CS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
5293 CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2C)CC1
5294 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
5295 COc1ccc(cc1)-c1ccc2n(cnc2c1)-c1ccccc1
5296 c1nc2cc(ccn2c1-c1ccccc1)-c1ccccc1
5297 c1nc2cc(ccn2c1-c1ccncc1)-c1ccccc1
5298 c1nc2cc(ccn2c1-c1cccnc1)-c1ccccc1
5299 COc1cccc(n1)-c1cnc2cc(ccn12)-c1ccccc1
5300 COc1ccc(cn1)-c1cnc2cc(ccn12)-c1ccccc1
5301 c1csc(n1)-c1cnc2cc(ccn12)-c1ccccc1
5302 c1ncc(s1)-c1cnc2cc(ccn12)-c1ccccc1
5303 c1nscc1-c1cnc2cc(ccn12)-c1ccccc1
5304 CC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
5305 CNC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
5306 NC(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
5307 CS(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccn3c(cnc3c2)-c2ccccc2)CC1
5308 O=c1cc(ccn1CCCN1CCCCC1)-c1ccn2c(cnc2c1)-c1ccccc1
5309 OCCCn1ccc(cc1=O)-c1ccn2c(cnc2c1)-c1ccccc1
5310 COCCN(C)CCCn1ccc(cc1=O)-c1ccn2c(cnc2c1)-c1ccccc1
5311 CN(C)CC1CCCN(CCCn2ccc(cc2=O)-c2ccn3c(cnc3c2)-c2ccccc2)C1
5312 CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1ccsc1
5313 CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1ccccc1
5314 CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1cccc(F)c1
5315 CC(=O)Nc1oc(nc1-c1ccccc1)-c1cncc(c1)-c1cccc(Cl)c1
5316 COc1cccc(c1)-c1cncc(c1)-c1nc(c(NC(C)=O)o1)-c1ccccc1
5317 COc1ccc(cc1)-c1cncc(c1)-c1nc(c(NC(C)=O)o1)-c1ccccc1
5318 c1cc(cs1)-c1cncc(c1)-c1c[nH]c2ccccc12
5319 CN(C)CCn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
5320 C(Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12)N1CCCCC1
5321 C(Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12)N1CCOCC1
5322 C(CN1CCCCC1)Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
5323 CN1CCN(CCCn2cc(-c3cncc(c3)-c3ccsc3)c3ccccc23)CC1
5324 CN(C)CCCn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
5325 CC(CN(C)C)Cn1cc(-c2cncc(c2)-c2ccsc2)c2ccccc12
5326 O=c1ccc2ccccc2cc1-c1nc2ccccc2[nH]1
5327 O=c1[nH]c2ccccc2cc1-c1nc2ccccc2[nH]1
5328 O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1
5329 COCCN(C)CCOc1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5330 CC(=O)N1CCN(CCOc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1
5331 OC(=O)C1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1
5332 O=c1[nH]c2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
5333 CN1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5334 O=C(N1CCNCC1)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5335 NC1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5336 O=C(NC1CCNC1)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5337 CN1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5338 O=c1[nH]c2ccccc2cc1-c1cc2cc(ccc2[nH]1)S(=O)(=O)N1CCNCC1
5339 NC1CCN(C1)S(=O)(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
5340 O=c1[nH]c2ccccc2cc1-c1cc2cc(ccc2[nH]1)S(=O)(=O)NC1CCNC1
5341 CCCCN(C)c1ccc(\N=N\c2ncc(s2)[N+]([O-])=O)c(C)c1
5342 O=C(Nc1ncc(s1)-c1ccccc1)c1ccccc1
5343 Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN=Cc2cccc(O)c2O)n1 |w:18.18|
5344 N(c1ncc(s1)-c1ccccc1)c1cnccn1
5345 N(c1ncc(s1)-c1ccccc1)c1ccncn1
5346 N(c1ncc(s1)-c1ccccc1)c1ncccn1
5347 N(c1ncc(s1)-c1ccccc1)c1cccnc1
5348 N(c1ncc(s1)-c1ccccc1)c1ccncc1
5349 N(c1ncc(s1)-c1ccccc1)c1ccccc1
5350 Cc1cccnc1Nc1ncc(s1)-c1ccccc1
5351 Cc1ccnc(Nc2ncc(s2)-c2ccccc2)c1
5352 Cc1ccc(Nc2ncc(s2)-c2ccccc2)nc1
5353 Cc1cccc(Nc2ncc(s2)-c2ccccc2)n1
5354 Clc1ccc(Nc2ncc(s2)-c2ccccc2)nc1
5355 Brc1cccc(Nc2ncc(s2)-c2ccccc2)n1
5356 COc1cccnc1Nc1ncc(s1)-c1ccccc1
5357 COc1ccnc(Nc2ncc(s2)-c2ccccc2)c1
5358 COc1cccc(Nc2ncc(s2)-c2ccccc2)n1
5359 Brc1cnc(Nc2ccccn2)s1
5360 Clc1cnc(Nc2ccccn2)s1
5361 Cc1cnc(Nc2ccccn2)s1
5362 N#Cc1cnc(Nc2ccccn2)s1
5363 N(c1ncc(o1)-c1ccccc1)c1ccccn1
5364 N(c1ncc(o1)-c1ccccc1)c1ccccc1
5365 CN(CCc1cccc(OCC2CC2)c1)S(=O)(=O)CCCn1ccc(=O)[nH]c1=O
5366 C(CN1CCCCC1)Oc1ccc(cn1)-c1ccc2n(cnc2c1)-c1ccccc1
5367 C(CN1CCOCC1)Nc1ccc(cn1)-c1ccc2n(cnc2c1)-c1ccccc1
5368 O=c1cc(ccn1CCCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
5369 O=c1ccc(cn1CCCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
5370 O=c1cc(ccn1CCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
5371 O=c1ccc(cn1CCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
5372 O=c1nc(ccn1CCCN1CCCCC1)-c1ccc2n(cnc2c1)-c1ccccc1
5373 CC(=O)Oc1ccc(\C=N\NC(=O)COc2ccccc2CC=C)c(OC(C)=O)c1
5374 Clc1cccc(Nc2nccc(n2)-n2cnc3ccccc23)c1
5375 C(CN1CCCCC1)Oc1ccc(cc1)-c1ccc2n(cnc2c1)-c1ccccc1
5376 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2n(cnc2c1)-c1ccccc1
5377 Cc1ccccc1Nc1nccc(n1)-n1ccnc1-c1ccccc1
5378 Cc1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5379 Cc1ccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc1
5380 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5381 COc1ccccc1Nc1nccc(n1)-n1ccnc1-c1ccccc1
5382 COc1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5383 COc1ccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc1
5384 COc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(OC)c1
5385 Clc1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5386 Clc1cc(Cl)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5387 FC(F)(F)c1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5388 FC(F)(F)c1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
5389 Cc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
5390 COc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
5391 Cc1cc(CO)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5392 CC(=O)N1CCN(Cc2cc(C)cc(Nc3nccc(n3)-n3ccnc3-c3ccccc3)c2)CC1
5393 N(c1ccccn1)c1nccc(n1)-n1ccnc1-c1ccccc1
5394 N(c1cccnc1)c1nccc(n1)-n1ccnc1-c1ccccc1
5395 N(c1ccncc1)c1nccc(n1)-n1ccnc1-c1ccccc1
5396 [O-][n+]1cccc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
5397 Cc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)ccn1
5398 Cc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(C)n1
5399 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2ccccn2)c1
5400 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2cccnc2)c1
5401 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2ccc[n+]([O-])c2)c1
5402 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2cncnc2)c1
5403 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2cccc(F)c2)c1
5404 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2C2CC2)c1
5405 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2Cl)c1
5406 Cc1nccn1-c1ccnc(Nc2cc(C)cc(C)c2)n1
5407 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2N)c1
5408 Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2C#N)c1
5409 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
5410 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccc1
5411 C(CN1CCOCC1)Oc1cccc(c1)-c1cnc2c(cnn2c1)-c1ccsc1
5412 CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
5413 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
5414 COCCN(CCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1)Cc1ccccc1
5415 C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccnc1
5416 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
5417 c1nn2cc(cnc2c1-c1ccncc1)-c1ccncc1
5418 Clc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
5419 Cc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
5420 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
5421 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1cccnc1
5422 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccccn1
5423 COc1cccc(c1)S(=O)(=O)NC(C)(C)CCCOCn1ccc(=O)[nH]c1=O
5424 c1nn2cc(cnc2c1-c1ccccc1)-c1ccncc1
5425 c1nn2cc(cnc2c1-c1ccccc1)-c1ccccn1
5426 Fc1ccc(cc1)-c1cnn2cc(cnc12)-c1ccncc1
5427 Clc1cccc(c1)-c1cnn2cc(cnc12)-c1ccncc1
5428 Fc1ccc(cc1Cl)-c1cnn2cc(cnc12)-c1ccncc1
5429 COc1cccc(c1)-c1cnn2cc(cnc12)-c1ccncc1
5430 COc1ccc(cc1)-c1cnn2cc(cnc12)-c1ccncc1
5431 c1cc(cs1)-c1cnn2cc(cnc12)-c1ccncc1
5432 COc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
5433 O=c1cc(ccn1CCCN1CCCCC1)-c1cnc2c(cnn2c1)-c1ccccc1
5434 CN1CCN(CCCn2ccc(cc2=O)-c2cnc3c(cnn3c2)-c2ccccc2)CC1
5435 CN1CCN(CCCn2ccc(cc2=O)-c2cnc3c(cnn3c2)-c2ccsc2)CC1
5436 C1CCC(CC1)c1cnc2c(cnn2c1)-c1ccsc1
5437 C1CC=C(C1)c1cnn2cc(cnc12)-c1ccncc1 |c:2|
5438 C1CCC(=CC1)c1cnn2cc(cnc12)-c1ccncc1 |c:3|
5439 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
5440 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5441 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1
5442 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(c4)C(F)(F)F)cc3)c2c1
5443 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2c1
5444 CS(=O)(=O)CCNCc1nc(cs1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
5448 Oc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5449 CS(=O)(=O)CCN(CCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1)C(=O)C(F)(F)F
5450 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5451 COc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5452 C=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5453 CS(=O)(=O)CCNCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5454 CN(CCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1)CCS(C)(=O)=O
5455 FC(F)(F)C(=O)NCCCCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1
5456 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3cccc(c3)C#C)c2c1
5457 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
5458 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(cc3)S(=O)(=O)c3ccccc3)c2c1
5459 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
5460 CS(=O)(=O)CCNCCCCOc1ccc2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c2c1
5461 CCCOc1nc(N)nc2nc[nH]c12
5462 CCCCOc1nc(N)nc2nc[nH]c12
5463 CCCCCOc1nc(N)nc2nc[nH]c12
5464 CCCCCCCOc1nc(N)nc2nc[nH]c12
5465 CC(C)Oc1nc(N)nc2nc[nH]c12
5466 CCC(C)Oc1nc(N)nc2nc[nH]c12
5467 CC(C)COc1nc(N)nc2nc[nH]c12
5468 CCC(C)COc1nc(N)nc2nc[nH]c12
5469 CC(C)CCOc1nc(N)nc2nc[nH]c12
5470 COc1nc(N)nc2nc[nH]c12
5471 CCOc1nc(N)nc2nc[nH]c12
5472 Nc1nc(OCC#C)c2[nH]cnc2n1
5473 Nc1nc(OCCCCC=C)c2[nH]cnc2n1
5474 CC\C=C\CCOc1nc(N)nc2nc[nH]c12
5475 Nc1nc(OCC=C)c2[nH]cnc2n1
5476 CC(=C)COc1nc(N)nc2nc[nH]c12
5477 CCC(=C)COc1nc(N)nc2nc[nH]c12
5478 CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
5479 Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
5480 Nc1nc(OCC=C2CCCCC2)c2[nH]cnc2n1 |(-4.42,.15,;-3.08,.92,;-3.08,2.46,;-1.75,3.23,;-1.73,4.77,;-3.07,5.54,;-4.4,4.77,;-5.74,5.54,;-5.71,7.08,;-7.03,7.87,;-8.38,7.12,;-8.4,5.58,;-7.08,4.79,;-.47,2.46,;.99,2.94,;1.9,1.69,;.99,.45,;-.47,.92,;-1.75,.15,)|
5481 CC(=O)COc1nc(N)nc2nc[nH]c12
5482 CC(C)C(=O)COc1nc(N)nc2nc[nH]c12
5483 Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
5484 Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
5485 Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5486 Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
5487 Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
5488 CC(=C)[C@H]1CCC(COc2nc(N)nc3nc[nH]c23)=CC1 |r,c:20|
5489 Nc1nc(OCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1 |TLB:13:8:15:14.12.11,13:12:15:7.8.9,THB:11:10:7:14.12.13,11:12:7:15.10.9|
5490 Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1
5491 Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
5492 Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
5493 Nc1cccc(COc2nc(N)nc3nc[nH]c23)c1
5494 Nc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1
5495 COc1cccc(COc2nc(N)nc3nc[nH]c23)c1
5496 Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
5497 Nc1nc(OCc2ccc3ccccc3c2)c2[nH]cnc2n1
5498 Nc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1
5499 Nc1nc(OCC(O)CO)c2[nH]cnc2n1
5500 COCC(COc1nc(N)nc2nc[nH]c12)OC
5501 CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
5502 CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
5503 Nc1nc(OCC2CCCO2)c2[nH]cnc2n1
5504 COC1OC(COc2nc(N)nc3nc[nH]c23)C2OC(C)(C)OC12
5505 CC1(C)OC[C@@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
5506 CC1(C)OC[C@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
5507 CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1
5508 Nc1nc(OC[C@@H]2COC3(CCCCC3)O2)c2[nH]cnc2n1 |r|
5509 Nc1nc(OCC2CCCCO2)c2[nH]cnc2n1
5510 CC1(C)OC2OC(COc3nc(N)nc4nc[nH]c34)C3OC(C)(C)OC3C2O1
5511 Nc1nc(OCC2COc3ccccc3O2)c2[nH]cnc2n1
5512 Nc1nc(OCC2CCCNC2)c2[nH]cnc2n1
5513 Nc1nc(OCC2CCNCC2)c2[nH]cnc2n1
5514 Nc1nc(OC[C@@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
5515 Nc1nc(OC[C@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
5516 Nc1nc(OCc2ccccn2)c2[nH]cnc2n1
5517 Nc1nc(OCc2cccnc2)c2[nH]cnc2n1
5518 CN(C)\C=N\c1c(sc2nccc(N(C)C)c12)C(=O)c1ccccc1
5519 Clc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5520 CN(C)c1nc(OCC2CCCCC2)c2[nH]cnc2n1
5521 Fc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5522 CNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5523 CCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5524 CC(C)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5525 OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1
5526 CC[C@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
5527 CC[C@@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
5528 CC(C)[C@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
5529 CC(C)[C@@H](CO)Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 |r|
5530 C(Oc1nc(Nc2ccccc2)nc2nc[nH]c12)C1CCCCC1
5531 Clc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5532 Fc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5533 Brc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5534 Clc1cc(Cl)cc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5535 CCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5536 OCc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5537 COc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5538 CSc1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5539 Fc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5540 Fc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1Cl
5541 Oc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5542 COc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5543 CSc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5544 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5545 CNS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5546 CN(C)S(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5547 CS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5548 CS(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5549 COc1cc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)ccc1S(N)(=O)=O
5550 NS(=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)c1
5551 NC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5552 CNC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5553 CN(C)C(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5554 CC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5555 OC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5556 COC(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5557 NC(=O)Cc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5558 N#CCc1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5559 C(Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1)c1cccs1
5560 NS(=O)(=O)c1ccc(CNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)s1
5561 COc1ccc(Oc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5562 NS(=O)(=O)c1ccc(NNc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
5563 CC(C)(COCCCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1
5564 C(Oc1ncnc2nc[nH]c12)C1CCCCC1
5565 Cn1cnc2c(OCC3CCCCC3)nc(N)nc12
5566 Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1
5567 Oc1cc(CNC(=S)\C=C\c2cc(O)c(O)c(Br)c2Br)cc(O)c1O
5568 CCCCCOc1nc(N)nc(N)c1N=O
5569 CCCCCCCOc1nc(N)nc(N)c1N=O
5570 CC(C)CCOc1nc(N)nc(N)c1N=O
5571 Nc1nc(N)c(N=O)c(OC[C@@H]2NCCC2=O)n1 |r|
5572 Nc1nc(N)c(N=O)c(OCC2CCC=CC2)n1 |c:14|
5573 Nc1nc(N)c(N=O)c(OCc2ccccc2)n1
5574 Nc1cc(OCC2CCCCC2)nc(N)n1
5575 Nc1cc(OCC2CCC=CC2)nc(N)n1 |c:9|
5576 CC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
5577 COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
5578 Nc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
5579 Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
5580 COc1ccc(Nc2nc(N)nc(OCC3CCCCC3)c2N=O)cc1
5581 Nc1nc(N)c(C=O)c(OCC2CCCCC2)n1
5582 Nc1nc(N)c(CN=O)c(OCC2CCCCC2)n1
5583 CO\N=C\c1c(N)nc(N)nc1OCC1CCCCC1
5584 Nc1nc(N)c(\C=N\OCc2ccccc2)c(OCC2CCCCC2)n1
5585 NC(=O)NN=Cc1c(N)nc(N)nc1OCC1CCCCC1 |w:5.5|
5586 Nc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1
5587 Nc1nc(N)c(C(=O)c2ccccc2)c(OCC2CCCCC2)n1
5588 Nc1nc(N)c(N)c(OCC2CCCCC2)n1
5589 NC(=O)c1ccc(Nc2nc(N)cc(OCC3CCCCC3)n2)cc1
5590 Nc1cc(OCC2CCCCC2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
5591 Nc1nc(Nc2cccc(Br)c2)nc(OCC2CCCCC2)c1N=O
5592 COc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
5593 CSc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
5594 NC(=O)c1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1
5595 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCC2CCCCC2)c1N=O
5596 CCC(=O)Oc1c(C)c2oc(=O)cc(C)c2cc1C(=O)CC
5597 CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccccc1
5598 CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(C)cc1
5599 CCc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(C)=O)c3C(=O)c12
5600 CCCc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5601 CCCCc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5602 CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(O)cc1
5603 COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5604 CCOc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5605 CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(Oc2ccccc2)cc1
5606 CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5607 CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCCCC1
5608 CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCOCC1
5609 CSc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5610 CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCOCC4)c3C(=O)c12
5611 CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(O)CC4)c3C(=O)c12
5612 CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
5613 CN(C)c1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN4CCN(C)CC4)c3C(=O)c12
5614 O=C(CN1CCOCC1)Nc1cccc2-c3n[nH]c(c3C(=O)c12)-c1ccc(cc1)N1CCOCC1
5615 OC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
5616 NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
5617 CN1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
5618 CC(=O)Nc1cccc2-c3n[nH]c(C)c3C(=O)c12
5619 CCc1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5620 CCCc1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5621 CC(C)c1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5622 CC(=O)Nc1cccc2-c3n[nH]c(C4CC4)c3C(=O)c12
5623 CC(C)Cc1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5624 CCCCc1[nH]nc2-c3cccc(NC(C)=O)c3C(=O)c12
5625 CC(=O)Nc1cccc2-c3n[nH]c(c3C(=O)c12)C(C)(C)C
5626 CC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
5627 CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
5628 CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
5629 NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
5630 NC(=O)C1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
5631 CCc1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
5632 CC(C)c1[nH]nc2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
5633 NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CC5)c4C(=O)c23)CC1
5634 NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(C5CCCCC5)c4C(=O)c23)CC1
5635 CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1cccnc1
5636 CC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccncc1
5637 CC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
5638 CC(=O)Nc1cccc2-c3n[nH]c(-c4sccc4C)c3C(=O)c12
5639 CC(=O)Nc1cccc2-c3n[nH]c(-c4cc(Cl)sc4Cl)c3C(=O)c12
5640 CC(=O)Nc1cccc2-c3[nH]nc(-c4ccco4)c3C(=O)c12
5641 CCc1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5642 CC(C)c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5643 NC(=O)Nc1cccc2-c3n[nH]c(C4CC4)c3C(=O)c12
5644 NC(=O)Nc1cccc2-c3n[nH]c(C4CCCCC4)c3C(=O)c12
5645 NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
5646 Cc1ccsc1-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5647 Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5648 CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5649 NC(=O)Nc1cccc2-c3n[nH]c(-c4ccsc4)c3C(=O)c12
5650 NC(=O)Nc1cccc2-c3n[nH]c(-c4csc(Cl)c4)c3C(=O)c12
5651 Cc1cc(c(C)s1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5652 NC(=O)Nc1cccc2-c3[nH]nc(-c4ccco4)c3C(=O)c12
5653 Cn1ccc(c1)-c1n[nH]c2-c3cccc(NC(N)=O)c3C(=O)c12
5654 CCOC(=O)CSc1cnc(NC(C)=O)s1
5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
5656 CC(=O)Nc1ncc(SCC(=O)OC(C)(C)C)s1
5657 CC(=O)Nc1ncc(SCC(=O)OCc2ccccc2)s1
5658 CCc1cnc(CSc2cnc(NC(C)=O)s2)o1
5659 CC(C)c1cnc(CSc2cnc(NC(C)=O)s2)o1
5660 CC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5661 CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1
5662 CC(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5663 CC(C)(C)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5664 CC(C)OC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5665 CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3ccc(F)cc3)s2)o1
5666 CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
5667 CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
5668 CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
5669 CCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1
5670 CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
5671 CC(C)C(=O)Nc1ncc(s1)S(=O)Cc1ncc(o1)C(C)(C)C
5672 CC(C)C(=O)Nc1ncc(s1)S(=O)(=O)Cc1ncc(o1)C(C)(C)C
5673 CC(=O)Nc1ncc(SCC(O)=O)s1
5674 CC(=O)Nc1ncc(SCC(O)CC(C)(C)C)s1
5675 CC(=O)Nc1ncc(SCC(=O)CC(C)(C)C)s1
5676 CC(=O)Nc1ncc(SCCOC(C)(C)C)s1
5677 CC(=O)Nc1ncc(SCCc2ccccc2)s1
5678 CCN(C)C(=O)CSc1cnc(NC(C)=O)s1
5679 CCc1coc(CSc2cnc(NC(C)=O)s2)n1
5680 CC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1
5681 CC(=O)Nc1ncc(SCc2ncc(C)o2)s1
5682 CC(=O)Nc1ncc(SCc2ncc(o2)-c2ccccc2)s1
5683 CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1
5684 C[C@@H](C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1)c1ccccc1 |r|
5685 C[C@H](C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1)c1ccccc1 |r|
5686 CC(C)(C)c1cnc(CSc2cnc(NC(=O)OCc3ccccc3)s2)o1
5687 CC(C)(C)c1cnc(CSc2cnc(NS(=O)(=O)c3ccccc3)s2)o1
5688 CC(C)C(=O)N(C)c1ncc(SCc2ncc(o2)C(C)(C)C)s1
5689 CCNC(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5690 CC(=O)Nc1nnc(SCC(=O)OC(C)(C)C)s1
5691 CC(=O)Nc1cnc(SCc2ncc(o2)C(C)(C)C)s1
5692 CC(C)CSc1cnc(NC(C)=O)s1
5693 CC(=O)Nc1ncc(SCc2ccccn2)s1
5694 CC(=O)Nc1ncc(SCc2cccnc2)s1
5695 CC(=O)Nc1ncc(SCc2ccncc2)s1
5696 COC(=O)c1ccc(CSc2cnc(NC(C)=O)s2)o1
5697 CC(=O)Nc1ncc(SCc2csc(NC(C)=O)n2)s1
5698 CC(=O)Nc1ncc(SCc2c(C)noc2C)s1
5699 CC(=O)Nc1ncc(SCc2nnsc2Cl)s1
5700 CCC(CC)CSc1cnc(NC(C)=O)s1
5701 CC(=O)Nc1ncc(SCCOc2ccccc2)s1
5702 COCCSc1cnc(NC(C)=O)s1
5703 CCOC(=O)CCCCCSc1cnc(NC(C)=O)s1
5704 CC(=O)Nc1ncc(SCC2CCCCC2)s1
5705 CC(=O)Nc1ncc(SCCc2cccc3ccccc23)s1
5706 COC(=O)C(Sc1cnc(NC(C)=O)s1)C1CCCCC1
5707 COC(=O)C(Sc1cnc(NC(C)=O)s1)c1ccccc1
5708 CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
5709 CCSc1cc(=O)c2c(O)cc(O)c(C3CCN(C)CC3O)c2o1
5710 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
5711 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O |r|
5712 CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
5713 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1)cc2=O
5714 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(SC(C)(C)C)cc2=O
5715 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Sc1nc(C)cc(C)n1)cc2=O
5716 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(Nc1ccccc1)cc2=O
5717 CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(cc2=O)N1CCCCC1
5718 Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
5719 [#6]-[#8]-[#6](=O)C1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1
5720 CN(Cc1cc(O)c(O)c(O)c1)C(=S)\C=C\c1cc(O)c(O)c(Br)c1
5721 CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
5722 CC(C)(C)c1cnc(CSc2cnc(Nc3ccccc3)s2)o1
5723 CC(C)(C)c1cnc(CSc2cnc(Nc3ccccn3)s2)o1
5724 CC(C)(C)c1cnc(CSc2cnc(Nc3cccnc3)s2)o1
5725 CC(C)(C)c1cnc(CSc2cnc(Nc3ccncn3)s2)o1
5726 CC(C)(CO)CNCc1ccc(Nc2ncc(SCc3ncc(o3)C(C)(C)C)s2)nc1
5727 CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1
5728 COc1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12
5729 COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nn1C
5730 CN(C)C(=O)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
5731 COc1ccc(cc1)-c1[nH]nc2-c3cccc(O)c3C(=O)c12
5732 COc1ccc(cc1)-c1[nH]nc2-c3ccc(NC(C)=O)cc3C(=O)c12
5733 COc1ccc(cc1)-c1[nH]nc2-c3ccc(N)cc3C(=O)c12
5734 COc1ccc(cc1)-c1[nH]nc2-c3cccc(N)c3C(=O)c12
5735 COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nn1-c1ccccc1
5736 COc1ccc(cc1)-c1[nH]nc2-c3ccc(O)cc3C(=O)c12
5737 COc1ccc(cc1)-c1[nH]nc2-c3cnccc3C(=O)c12
5738 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)Cc4ccc(N)cc4)c3C(=O)c12
5739 COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)CN)c3C(=O)c12
5740 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN(C)C)c3C(=O)c12
5741 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCNCC4)c3C(=O)c12
5742 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCCCC4)c3C(=O)c12
5743 CCNCC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(OC)cc1
5744 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCSCC4)c3C(=O)c12
5745 COc1ccc(cc1)-c1[nH]nc2-c3cc4ccccc4cc3C(=O)c12
5746 COc1ccc(cc1)-c1[nH]nc2-c3ncccc3C(=O)c12
5747 COc1ccc(cc1)-c1[nH]nc2-c3cc(Cl)c(Cl)cc3C(=O)c12
5748 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCOCC4)c3C(=O)c12
5749 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCN(C)CC4)c3C(=O)c12
5750 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCC(CN)CC4)c3C(=O)c12
5751 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCC(CC4)C(N)=O)c3C(=O)c12
5752 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCC(CO)CC4)c3C(=O)c12
5753 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCN(CC4)C(N)=O)c3C(=O)c12
5754 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)CN4CCN(CC4)C(N)=N)c3C(=O)c12
5755 COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(N)=O)c3C(=O)c12
5756 CCN(CC)C(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(OC)cc1
5757 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NCc4ccccc4)c3C(=O)c12
5758 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)N(C)Cc4ccccc4)c3C(=O)c12
5759 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NCc4ccncc4)c3C(=O)c12
5760 COc1ccc(CNC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc(OC)cc2)cc1
5761 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)Nc4ccccc4)c3C(=O)c12
5762 CCCCNC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(OC)cc1
5763 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
5764 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NN4CCN(C)CC4)c3C(=O)c12
5765 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
5766 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NN4CCCCC4)c3C(=O)c12
5767 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NN4CCCC4)c3C(=O)c12
5768 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5769 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccco1
5770 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1cccs1
5771 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1nccs1
5772 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1C
5773 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1F
5774 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cccc1F
5775 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
5776 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(C)cc1F
5777 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Cl)cc1F
5778 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(Br)cc1F
5779 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(OC)cc1F
5780 CCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5781 CCCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5782 CCCC(C)Oc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5783 O=C(c1ccccc1)c1cnc2[nH]ncc2c1OC1CCCCC1
5784 O=C(c1ccccc1)c1cnc2[nH]ncc2c1OCc1ccccc1
5785 CC(C)CCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5786 CCCCOc1c(cnc2[nH]ncc12)C(C)=O
5787 CCCCOc1c(cnc2[nH]ncc12)C(=O)C1CC1
5788 CCCCOc1c(cnc2[nH]ncc12)C(=O)Cc1ccccc1
5789 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1cccnc1
5790 CCCCOc1c(cnc2[nH]ncc12)C(=O)Nc1ccccc1
5791 CCCCOc1c(cnc2[nH]ncc12)C(=O)NCC
5792 CCCCOc1c(cnc2[nH]ncc12)C(=O)NOC
5793 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1cccc(C)c1
5794 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1ccc(C)cc1
5795 CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(C)cc(C)cc1C
5796 CCn1ncc2c(OCCC(C)C)c(cnc12)C(=O)c1ccccc1
5797 CCCCSc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5798 CCCCN(C)c1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5799 O=C(c1ccccc1)c1cnc2[nH]ncc2c1Oc1ccccc1
5800 OCCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5801 CN(C)CCOc1c(cnc2[nH]ncc12)C(=O)c1ccccc1
5802 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(OC)cc1
5803 COc1ccc(cc1)-c1coc2ncnc(N)c12
5804 COc1ccc(cc1)-c1cc2c(N)ncnc2o1
5805 COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1ccc(Cl)c(Cl)c1
5806 COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(c1)C(N)=O
5807 COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(c1)C(=O)N(C)C
5808 COc1ccc(cc1)-c1c(oc2ncnc(N)c12)-c1cccc(NS(C)(=O)=O)c1
5809 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(cc1)N(C)C
5810 CS(=O)(=O)Nc1cccc(c1)-c1oc2ncnc(N)c2c1-c1ccc(cc1)-c1ccccc1
5811 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1cccc(NC(C)=O)c1
5812 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)c2cccc(F)c2)cc1
5813 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
5814 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
5815 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
5816 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
5817 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1
5818 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(N)=O)cc1
5819 CN(c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5820 CN(c1ccc(NC(=O)Cc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5821 CN(c1ccc(NC(=O)Oc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5822 CN(c1ccc(NC(=S)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5823 CN(c1ccc(NS(=O)(=O)Cc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5824 CN(c1ccc(cc1)N=C(N)Nc1ccccc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 |w:8.8|
5825 CN(c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
5826 CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5827 CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5828 CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
5829 CN(c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
5830 CN(c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5831 CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5832 CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
5833 CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
5834 CN(c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5835 CN(c1ccc(NC(=O)NCCc2ccccc2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5836 CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5837 CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5838 CCCCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5839 CN(c1ccc(NC(=O)NC2CCCC2)cc1)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5840 CN(C)CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1
5841 CN(C)CCNC(=O)Nc1ccc(cc1)N(C)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5842 CN(c1ccc(NC(=O)NCCN2CCOCC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5843 CN(c1ccc(NC(=O)N2CCN(CCCN3CCOCC3)CC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5844 CN(c1ccc(NC(=O)Nc2ccc(CN3CCN(C)CC3)cc2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5845 CN(c1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCN(C)CC2)cc1)c1ccnc(Nc2ccc(CS(C)(=O)=O)cc2)n1
5846 CC(NC(=S)\C=C\c1ccc(O)c(O)c1Br)c1cc(O)c(O)c(O)c1
5847 N#Cc1ccccc1Nc1ncc(o1)-c1ccccc1
5848 COc1ccccc1Nc1ncc(o1)-c1ccccc1
5849 N#Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1
5850 N(c1ncc(o1)-c1ccccc1)c1cccc(Oc2ccccc2)c1
5851 OCc1cccc(Nc2ncc(o2)-c2ccccc2)c1
5852 CCS(=O)(=O)c1cccc(Nc2ncc(o2)-c2ccccc2)c1
5853 Cc1cccc(Nc2ncc(o2)-c2ccccc2)c1
5854 NS(=O)(=O)c1ccc(Nc2ncc(o2)-c2ccccc2)cc1
5855 N(c1ncc(o1)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
5856 COc1ccc(Nc2ncc(o2)-c2ccccc2)cc1OC
5857 COc1cc(Nc2ncc(o2)-c2ccccc2)cc(OC)c1
5858 COc1cc(Nc2ncc(o2)-c2ccccc2)cc(OC)c1OC
5859 CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccccc2)c1
5860 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccccc2)c1
5861 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccccc2Cl)c1
5862 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(Cl)c2)c1
5863 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)C#N)c1
5864 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(OC)c2)c1
5865 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(F)c2)c1
5866 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(OC)cc2)c1
5867 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(Cl)cc2)c1
5868 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(F)cc2)c1
5869 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(cc2)C#N)c1
5870 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(cc2)C(N)=O)c1
5871 CCc1cccc(c1)-c1cnc(Nc2cc(ccc2OC)S(=O)(=O)CC)o1
5872 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)C(C)=O)c1
5873 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2cccs2)c1
5874 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccsc2)c1
5875 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
5876 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2cccnc2)c1
5877 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccncc2)c1
5878 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2cncn2C)c1
5879 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccc2)c1
5880 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccc2F)c1
5881 CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccc2Cl)c1
5882 O=C(Nc1ccccc1)Nc1ccc(cc1)-c1cccc2C(=O)NCc12
5883 O=C(Nc1ccc(cc1)-c1cccc2C(=O)NCc12)c1ccccc1
5884 O=C1NCc2c1cccc2-c1ccc(NS(=O)(=O)c2ccccc2)cc1
5885 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5886 CN(C(=O)Nc1cccc(C)c1)c1ccc(cc1)-c1cccc2C(=O)NCc12
5887 CN(C(=O)Nc1ccc(cc1)-c1cccc2C(=O)NCc12)c1cccc(C)c1
5888 Cc1cccc(NC(=O)Cc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5889 Cc1cccc(CC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5890 Cc1cccc(NC(=S)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5891 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc2C(=O)NCc12
5892 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)cc1
5893 FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5894 FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)cc1
5895 Clc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5896 CCc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5897 Fc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5898 COc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5899 O=C(Nc1ccc(cc1)-c1cccc2C(=O)NCc12)Nc1cccc(c1)C#N
5900 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)cc1C
5901 Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
5902 O=C(Nc1ccc(cc1)-c1cccc2C(=O)NCc12)Nc1ccc2CCCc2c1
5903 Fc1ccc(cc1NC(=O)Nc1ccc(cc1)-c1cccc2C(=O)NCc12)C(F)(F)F
5904 Cc1cccc(NC(=O)Nc2ccc(c(F)c2)-c2cccc3C(=O)NCc23)c1
5905 Cc1cccc(NC(=O)Nc2ccc(cc2F)-c2cccc3C(=O)NCc23)c1
5906 Cc1cccc(NC(=O)Nc2ccc(c(C)c2)-c2cccc3C(=O)NCc23)c1
5907 Cc1cccc(NC(=O)Nc2ccc(cc2C)-c2cccc3C(=O)NCc23)c1
5908 Cc1cccc(NC(=O)Nc2ccc(-c3cccc4C(=O)NCc34)c(c2)C(F)(F)F)c1
5909 Cc1cccc(NC(=O)Nc2ccc(cc2C(F)(F)F)-c2cccc3C(=O)NCc23)c1
5910 Cc1cccc(NC(=O)Nc2ccc(c(Cl)c2)-c2cccc3C(=O)NCc23)c1
5911 Cc1cccc(NC(=O)Nc2ccc(cc2Cl)-c2cccc3C(=O)NCc23)c1
5912 CCc1cc(ccc1NC(=O)Nc1cccc(C)c1)-c1cccc2C(=O)NCc12
5913 Cc1cccc(NC(=O)Nc2c(C)cc(cc2C)-c2cccc3C(=O)NCc23)c1
5914 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(N)c3C(=O)NCc23)c1
5915 CC(=O)Nc1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
5916 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)c3ccccc3)c3C(=O)NCc23)c1
5917 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)c3cccnc3)c3C(=O)NCc23)c1
5918 CN(C)CC(=O)Nc1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
5919 COc1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
5920 COCCOc1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
5921 C\C(=C/C(=S)NCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Br)c1
5922 CCOc1cccc(n1)N1CC(C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
5923 CC(C)(C)c1cnc(CSc2cnc(NC(=O)CCN)s2)o1
5924 CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
5925 Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1
5926 CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCCCC3)s2)o1
5927 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCCC3)s2)o1
5928 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCN3)s2)o1
5929 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1
5930 CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCNCC3)s2)o1
5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
5932 CN1CCC(CC1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5933 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CCO)CC3)s2)o1
5934 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)s2)o1
5935 CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1
5936 CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@@H]3CC[C@H](N)CC3)s2)o1 |r,wU:17.16,20.20,(-8.93,3.23,;-7.79,4.26,;-8.11,5.77,;-9.25,4.74,;-6.32,3.79,;-5.85,2.32,;-4.3,2.32,;-3.83,3.79,;-2.36,4.26,;-1.22,3.23,;.24,3.71,;.72,5.17,;2.26,5.17,;2.74,3.71,;4.2,3.23,;5.53,4,;5.53,5.54,;6.87,3.23,;6.87,1.69,;8.2,.92,;9.54,1.69,;10.87,.92,;9.54,3.23,;8.2,4,;1.49,2.8,;-5.07,4.69,)|
5937 CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:17.16,wD:20.20,(-8.93,3.23,;-7.79,4.26,;-8.11,5.77,;-9.25,4.74,;-6.32,3.79,;-5.85,2.32,;-4.3,2.32,;-3.83,3.79,;-2.36,4.26,;-1.22,3.23,;.24,3.71,;.72,5.17,;2.26,5.17,;2.74,3.71,;4.2,3.23,;5.53,4,;5.53,5.54,;6.87,3.23,;8.2,4,;9.54,3.23,;9.54,1.69,;10.87,.92,;8.2,.92,;6.87,1.69,;1.49,2.8,;-5.07,4.69,)|
5938 CSc1nn(-c2c(Cl)cc(cc2Cl)C(F)(F)F)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.79,-.74,;4.54,.61,;4.58,-2.06,;3.84,-3.4,;2.3,-3.43,;1.51,-2.11,;-.03,-2.13,;4.63,-4.72,;3.88,-6.07,;5.42,-6.05,;6.17,-4.7,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5939 CSc1nn(Cc2ccccc2)c2nc(C)[nH]c(=O)c12
5940 CCCCn1nc(SC)c2c1nc(C)[nH]c2=O
5941 CSc1nn(c2nc(C)[nH]c(=O)c12)C(C)(C)C
5942 CSc1nn(CCO)c2nc(C)[nH]c(=O)c12
5943 CSc1nn(-c2ccccc2)c2nc(C)[nH]c(=O)c12
5944 CSc1nn(-c2ccccn2)c2nc(C)[nH]c(=O)c12
5945 CSc1nn(-c2cccc(Cl)c2)c2nc(C)[nH]c(=O)c12
5946 CSc1nn(-c2ccc(Cl)cc2)c2nc(C)[nH]c(=O)c12
5947 CSc1nn(-c2ccc(cc2)C(C)C)c2nc(C)[nH]c(=O)c12
5948 COc1ccccc1-n1nc(SC)c2c1nc(C)[nH]c2=O
5949 CSc1nn(-c2ccccc2Cl)c2nc(C)[nH]c(=O)c12
5950 CSc1nn(-c2ccc(Cl)cc2C)c2nc(C)[nH]c(=O)c12
5951 CSc1nn(-c2cccc(Cl)c2Cl)c2nc(C)[nH]c(=O)c12
5952 CSc1nn(-c2ccc(C)cc2C)c2nc(C)[nH]c(=O)c12
5953 CSc1nn(-c2ccc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12
5954 CSc1nn(-c2cc(C)ccc2C)c2nc(C)[nH]c(=O)c12
5955 CSc1nn(-c2cc(Cl)ccc2Cl)c2nc(C)[nH]c(=O)c12
5956 CSc1nn(-c2cc(ccc2Cl)C(F)(F)F)c2nc(C)[nH]c(=O)c12
5957 CSc1nn(-c2c(F)cccc2Cl)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;2.25,-2.3,;.92,-3.07,;3.59,-3.07,;4.92,-2.3,;4.92,-.76,;3.59,.01,;3.59,1.55,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5958 CSc1nn(-c2c(Cl)cccc2Cl)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5959 CSc1nn(-c2c(Cl)cc(Cl)cc2C(F)(F)F)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;.15,-1.74,;-.41,-3.84,;1.69,-4.4,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5960 CSc1nn(-c2c(C)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;2.25,-2.3,;.92,-3.07,;3.59,-3.07,;4.92,-2.3,;6.25,-3.07,;4.92,-.76,;3.59,.01,;3.59,1.55,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5961 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5962 CSc1nn(-c2c(C)cc(C)cc2C)c2nc(C)[nH]c(=O)c12 |(3.74,3.51,;2.25,3.91,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5963 Cc1nc2n(nc(C#N)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;2.04,5.77,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5964 Cc1nc2n(nc(c2c(=O)[nH]1)C(F)(F)F)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;1.64,4.29,;.61,5.43,;2.12,5.75,;3.15,4.61,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5965 Cc1nc2n(nc(-c3ccccc3)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.18,4.25,;3.98,5.57,;3.24,6.92,;1.7,6.95,;.9,5.64,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5966 Cc1nc2n(nc(Cc3ccccc3)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;3.16,6.22,;4.51,6.97,;5.83,6.17,;5.8,4.63,;4.45,3.89,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5967 CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 |(3.53,6.17,;3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5968 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5969 Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 |(1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5970 Cc1nc2n(ncc2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5971 Cc1nc2n(nc(CO)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.18,4.29,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5972 Cc1nc2n(nc(CCO)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;3.53,6.17,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5973 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5974 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([nH]c(=O)c12)C(C)C |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,;-4.3,.03,;-4.3,-1.51,;-5.63,.8,)|
5975 CCCc1nc2n(nc(SC)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-6.97,.03,;-5.63,.8,;-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5976 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([nH]c(=O)c12)C1CC1 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,;-4.3,.03,;-4.3,-1.51,;-5.63,-.74,)|
5977 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CC)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-4.3,-1.51,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5978 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C=C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-4.3,-1.51,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5979 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CN(C)C(=O)OC(C)(C)C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.63,2.34,;-6.97,.03,;-6.97,-1.51,;-8.3,.8,;-9.64,.03,;-10.97,-.74,;-8.87,-1.3,;-10.41,1.37,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5980 CNCc1nc2n(nc(SC)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-6.97,.03,;-5.63,.8,;-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5981 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCN(C)C(=O)OC(C)(C)C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-6.97,-1.51,;-8.3,.8,;-8.3,2.34,;-9.64,.04,;-10.97,.81,;-12.3,1.58,;-11.74,-.53,;-10.2,2.14,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5982 CNCCc1nc2n(nc(SC)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-8.3,.8,;-6.97,.03,;-5.63,.8,;-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5983 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([nH]c(=O)c12)C(C)O |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,;-4.3,.03,;-5.63,.8,;-4.3,-1.51,)|
5984 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CC(C)C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-4.3,-1.51,;-5.63,-2.28,;-2.97,-2.28,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5985 CSCc1nc2n(nc(SC)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-6.97,.03,;-5.63,.8,;-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5986 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCSC)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-8.3,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5987 COC(=O)c1nc2n(nc(SC)c2c(=O)[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-6.97,.03,;-5.63,.8,;-4.3,.03,;-4.3,-1.51,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,)|
5988 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCO)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-8.3,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5989 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCCO)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-8.3,.8,;-9.64,.03,;-10.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5990 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCCCO)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-8.3,.8,;-9.64,.03,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5991 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CF)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-4.3,-1.51,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5992 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([nH]c(=O)c12)C(F)(F)F |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,;-4.3,.03,;-5.63,.8,;-5.63,-.74,;-4.3,-1.51,)|
5993 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([nH]c(=O)c12)-c1ccco1 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,;-4.3,.03,;-4.78,-1.43,;-6.32,-1.43,;-6.79,.03,;-5.55,.94,)|
5994 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccs3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-7.17,.8,;-7.65,2.27,;-6.4,3.17,;-5.16,2.27,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5995 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc([nH]c(=O)c12)-c1ccc(OC)c(OC)c1 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,;-4.3,.03,;-4.3,-1.51,;-5.63,-2.28,;-6.97,-1.51,;-8.3,-2.28,;-9.64,-1.51,;-6.97,.03,;-8.3,.8,;-9.64,.03,;-5.63,.8,)|
5996 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3ccccc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-8.28,.84,;-9.63,.11,;-9.68,-1.43,;-8.37,-2.23,;-7.01,-1.5,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5997 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCc3cnc[nH]3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.97,.03,;-8.21,.94,;-9.46,.03,;-8.98,-1.43,;-7.44,-1.43,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5998 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
5999 CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6000 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3OC)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-6.94,-1.52,;-8.27,-2.3,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6001 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3O)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-6.94,-1.52,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6002 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccc3CO)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-6.94,-1.52,;-5.6,-2.27,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6003 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccccn3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6004 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-6.94,-1.52,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6005 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(C)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6006 CCOC(=O)Cc1cccc(Cc2nc3n(nc(CC)c3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)c1 |(-12.25,-4.66,;-10.92,-3.87,;-10.94,-2.33,;-9.61,-1.55,;-8.27,-2.3,;-9.63,-.01,;-8.3,.78,;-8.32,2.32,;-6.99,3.1,;-5.65,2.34,;-5.63,.8,;-4.3,.03,;-2.97,.8,;-1.63,.03,;-.3,.8,;1.16,.33,;2.07,1.57,;1.16,2.82,;1.64,4.29,;3.13,4.68,;-.3,2.35,;-1.63,3.12,;-1.63,4.66,;-2.97,2.35,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-6.96,.02,)|
6007 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-9.61,-1.55,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6008 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(N)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6009 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccnc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6010 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccncc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6011 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(N)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6012 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6013 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6014 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(Br)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6015 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(cc3)N(C)C)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-6.96,.02,;-9.66,3.07,;-10.99,2.29,;-9.68,4.61,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6016 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(C)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6017 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-9.61,-1.55,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6018 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(C)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6019 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-9.61,-1.55,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6020 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(OC)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-9.63,-.01,;-11.11,.39,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6021 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(O)c(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6022 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cc(O)cc(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-6.96,.02,;-8.3,.78,;-9.63,-.01,;-8.32,2.32,;-6.99,3.1,;-6.99,4.64,;-5.65,2.34,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6023 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC)c(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6024 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(C)c(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6025 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6026 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3cccc(NS(C)(=O)=O)c3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-8.3,.78,;-9.63,-.01,;-10.97,.75,;-12.06,1.84,;-9.64,1.52,;-12.29,-.03,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6027 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(C)=O)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-12.33,3.04,;-10.97,.75,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6028 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-10.97,.75,;-12.33,3.04,;-13.65,2.26,;-14.99,3.02,;-14.99,4.56,;-16.32,2.23,;-17.66,2.99,;-18.99,2.2,;-18.75,4.08,;-16.57,4.08,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6029 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CN)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-10.97,.75,;-12.33,3.04,;-13.65,2.26,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6030 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CN(C)C)cc3)[nH]c(=O)c12 |(3.13,4.68,;1.64,4.29,;1.16,2.82,;2.07,1.57,;1.16,.33,;2.25,-.76,;3.59,.01,;3.59,1.55,;4.92,-.76,;4.92,-2.3,;6.25,-3.07,;3.59,-3.07,;2.25,-2.3,;.92,-3.07,;-.3,.8,;-1.63,.03,;-2.97,.8,;-4.3,.03,;-5.63,.8,;-5.65,2.34,;-6.99,3.1,;-8.32,2.32,;-9.66,3.07,;-10.99,2.29,;-10.97,.75,;-12.33,3.04,;-13.65,2.26,;-14.99,3.02,;-13.64,.72,;-8.3,.78,;-6.96,.02,;-2.97,2.35,;-1.63,3.12,;-1.63,4.66,;-.3,2.35,)|
6031 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(OC)c12 |(4.48,5.54,;2.99,5.94,;1.9,4.85,;1.9,3.31,;.57,2.54,;.57,1,;-.77,.23,;-2.1,1,;-.77,-1.31,;.57,-2.08,;.57,-3.62,;1.9,-1.31,;1.9,.23,;3.23,1,;-.77,3.31,;-2.1,2.54,;-3.43,3.31,;-4.77,2.54,;-3.43,4.85,;-2.1,5.62,;-2.1,7.16,;-.77,7.93,;-.77,4.85,)|
6032 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)n(C)c(=O)c12 |(3.43,3.79,;1.94,4.19,;.85,3.1,;.85,1.56,;-.48,.79,;-.48,-.75,;.85,-1.52,;2.18,-.75,;.85,-3.06,;-.48,-3.83,;-.48,-5.37,;-1.82,-3.06,;-1.82,-1.52,;-3.15,-.75,;-1.82,1.56,;-3.15,.79,;-4.48,1.56,;-5.82,.79,;-4.48,3.1,;-5.82,3.87,;-3.15,3.87,;-3.15,5.41,;-1.82,3.1,)|
6033 CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(N)c12 |(3.65,5.01,;2.11,5.01,;1.03,3.92,;1.03,2.38,;-.31,1.61,;-.31,.07,;1.03,-.7,;2.36,.07,;1.03,-2.24,;-.31,-3.01,;-.31,-4.55,;-1.64,-2.24,;-1.64,-.7,;-2.98,.07,;-1.64,2.38,;-2.92,1.61,;-4.25,2.38,;-5.58,1.61,;-4.25,3.92,;-2.92,4.69,;-2.9,6.23,;-1.64,3.92,)|
6034 CCc1nn(c2N=C(C)NS(=O)(=O)c12)-c1c(Cl)cc(Cl)cc1Cl |t:6,(3.43,3.15,;1.94,3.55,;.85,2.46,;.85,.92,;-.48,.15,;-1.82,.92,;-3.09,.15,;-4.43,.92,;-5.76,.15,;-4.43,2.46,;-3.09,3.23,;-2,4.32,;-4.43,4,;-1.82,2.46,;-.48,-1.39,;.85,-2.16,;2.18,-1.39,;.85,-3.7,;-.48,-4.47,;-.48,-6.01,;-1.82,-3.7,;-1.82,-2.16,;-3.15,-1.39,)|
6035 CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4cccs4)c3C(=O)c12
6036 COc1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
6037 CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4ccc(C)s4)c3C(=O)c12
6038 CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN(C)C)c3C(=O)c12
6039 CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4ccsc4)c3C(=O)c12
6040 CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4csc(Cl)c4)c3C(=O)c12
6041 CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4cc(C)sc4C)c3C(=O)c12
6042 CN(C)NC(=O)Nc1cccc2-c3[nH]nc(-c4ccco4)c3C(=O)c12
6043 CN(C)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
6044 Cc1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6045 CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6046 Clc1cc(cs1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6047 Cc1cc(c(C)s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6048 Cc1nc(C)c(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6049 CCOC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCN(C)CC4)c3C(=O)c12
6050 CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4cc(C)sc4C)c3C(=O)c12
6051 CN1CCN(CC1)NC(=O)Nc1cccc2-c3n[nH]c(-c4sc(C)nc4C)c3C(=O)c12
6052 CN(C)CCNC(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6053 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCCC4)c3C(=O)c12
6054 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCCCC4)c3C(=O)c12
6055 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)NCCN4CCOCC4)c3C(=O)c12
6056 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)N4CCCCC4)c3C(=O)c12
6057 CN(C)C1CCCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6058 CN(C)C1CCN(CC1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6059 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)N4CCNCC4)c3C(=O)c12
6060 CN1CCN(CC1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6061 CCN1CCN(CC1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6062 NC1CCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6063 CNC1CCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6064 CN(C)C1CCN(C1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6065 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)N4CCCCCC4)c3C(=O)c12
6066 O=C(NN1CCOCC1)Nc1cccc2-c3n[nH]c(-c4ccc(s4)C(=O)N4CCCNCC4)c3C(=O)c12
6067 CN1CCCN(CC1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6068 CCN1CCCN(CC1)C(=O)c1ccc(s1)-c1[nH]nc2-c3cccc(NC(=O)NN4CCOCC4)c3C(=O)c12
6069 COc1cc2ncc3n(C)nc(-c4ccc(cc4)-c4ccn[nH]4)c3c2cc1-c1cn[nH]c1
6070 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(cc2)N2CCOCC2)C#N)c(Cl)cc1Cl
6071 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
6072 CCN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3s2)CC1
6073 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCNCC3)cc2)C#N)c(Cl)cc1Cl
6074 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(CCO)CC3)cc2)C#N)c(Cl)cc1Cl
6075 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCCCC3)cc2)C#N)c(Cl)cc1Cl
6076 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCSCC3)cc2)C#N)c(Cl)cc1Cl
6077 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN(C)C)cc2)C#N)c(Cl)cc1Cl
6078 CCCCNCc1ccc(cc1)-c1cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2s1
6079 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(cc2)C(=O)N2CCN(C)CC2)C#N)c(Cl)cc1Cl
6080 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(cc2)C(=O)N(C)C)C#N)c(Cl)cc1Cl
6081 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(cc2)N(C)C)C#N)c(Cl)cc1Cl
6082 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CCN(C)C)cc2)C#N)c(Cl)cc1Cl
6083 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CCN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
6084 CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3s2)CC1
6085 CCOc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
6086 CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Nc4ccc(Oc5ccccc5)cc4)c3s2)CC1
6087 CN(C)Cc1ccc(cc1)-c1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2s1
6088 COc1cc(Nc2c(cnc3cc(sc23)-c2csc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
6089 CN1CCN(Cc2cc(cs2)-c2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3s2)CC1
6090 CCOc1cc(Nc2c(cnc3cc(sc23)-c2csc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
6091 COc1cc(Nc2c(cnc3cc(sc23)-c2csc(CN(C)C)c2)C#N)c(Cl)cc1Cl
6092 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
6093 COc1cc(Nc2c(cnc3cc(sc23)-c2ccsc2CN2CCN(C)CC2)C#N)c(Cl)cc1Cl
6094 COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
6095 COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
6096 COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
6097 COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
6098 COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl
6099 COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl
6100 COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N
6101 COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N
6102 COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
6103 COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1
6104 COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N
6105 COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C
6106 CCOc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
6107 COc1cc(Nc2c(cnc3cc(ccc23)-c2csc(CN3CCOCC3)c2)C#N)c(Cl)cc1Cl
6108 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCOCC3)s2)C#N)c(Cl)cc1Cl
6109 COc1cc(Nc2c(cnc3cc(ccc23)-c2cc(CN3CCOCC3)cs2)C#N)c(Cl)cc1Cl
6110 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccsc2CN2CCOCC2)C#N)c(Cl)cc1Cl
6111 COc1cc(Nc2c(cnc3cc(ccc23)-c2cscc2CN2CCOCC2)C#N)c(Cl)cc1Cl
6112 COc1cc(Nc2c(cnc3cc(ccc23)-c2csc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
6113 COc1cc(Nc2c(cnc3cc(ccc23)-c2csc(CN3CCC(O)CC3)c2)C#N)c(Cl)cc1Cl
6114 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
6115 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCC(O)CC3)s2)C#N)c(Cl)cc1Cl
6116 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCCCC3)s2)C#N)c(Cl)cc1Cl
6117 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCSCC3)s2)C#N)c(Cl)cc1Cl
6118 COc1cc(Nc2c(cnc3ccc(cc23)-c2csc(CN3CCOCC3)c2)C#N)c(Cl)cc1Cl
6119 CCn1c(Oc2ccc(F)cc2)nc2n(C)c(=O)n(C)c(=O)c12
6120 O=C(C1OC1c1ccc(cc1)-c1ccccc1)c1ccccc1
6121 COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCCCN1CCN(C)CC1)C#N
6122 COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OCCOC
6123 COCCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OCCOC
6124 COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OCCOC
6125 COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(Cl)cc3Cl)c2cc1OC
6126 COCCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OC
6127 COCCOc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
6128 CCn1ccnc1CN(C)Cc1c[nH]nc1-c1ccc(F)cc1F
6129 O=C(C1OC1c1cccc2ccccc12)c1ccccc1
6130 CCCCN(CCCC)c1ncnc2nc[nH]c12
6131 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F |r|
6132 CCN1CCN(CC1)C(=S)c1ccc(cc1)-c1ccccc1
6133 Clc1ccc(Nc2c(cnc3cc4nc[nH]c4cc23)C#N)c(Br)c1
6134 COc1cc(Nc2c(cnc3cc4nc[nH]c4cc23)C#N)c(Br)cc1Cl
6135 COc1ccc(Cl)c(Nc2c(cnc3cc4nc[nH]c4cc23)C#N)c1
6136 COc1cc(Nc2c(cnc3cc4nc[nH]c4cc23)C#N)cc(OC)c1OC
6137 COc1cc(Nc2c(cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)C#N)cc(OC)c1OC
6138 COc1ccc(C)c(Nc2c(cnc3cc4nc(NCCN5CCOCC5)[nH]c4cc23)C#N)c1
6139 COc1cc(Nc2c(cnc3cc4nc(CN5CCOCC5)[nH]c4cc23)C#N)cc(OC)c1OC
6140 COc1ccc(Cl)c(Nc2c(cnc3cc4n(CCN5CCOCC5)cnc4cc23)C#N)c1
6141 COc1ccc(C)c(Nc2c(cnc3cc4n(CCN5CCOCC5)cnc4cc23)C#N)c1
6142 COc1cc(Nc2c(cnc3cc4n(CCN5CCOCC5)cnc4cc23)C#N)c(C)cc1Cl
6143 COc1cc(Nc2c(cnc3cc4n(CCN5CCOCC5)cnc4cc23)C#N)c(Br)cc1Cl
6144 COc1cc(Nc2c(cnc3cc4n(CCN5CCOCC5)cnc4cc23)C#N)cc(OC)c1OC
6145 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
6146 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1N
6147 CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
6148 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
6149 CCN(CC)CCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
6150 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
6151 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
6152 CCN(CC)CCCCNc1cc2nc(N)c(cc2cn1)-c1cc(OC)cc(OC)c1
6153 CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1
6154 CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
6155 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCOCC3)cc2nc1NC(=O)NC(C)(C)C
6156 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCN3CCN(C)CC3)cc2nc1NC(=O)NC(C)(C)C
6157 CCN(CC)CCCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1cc(OC)cc(OC)c1
6158 CN1CCN(CCCNc2cc3nc(N)c(cc3cn2)-c2ccccc2)CC1
6159 CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2ccccc2)CC1
6160 CN1CCN(CCCNc2cc3nc(NCCCN4CCN(C)CC4)c(cc3cn2)-c2ccccc2)CC1
6161 CCN(CC)CCCCNc1cc2nc(N)c(cc2cn1)-c1ccccc1
6162 CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1ccccc1
6163 CN1CCN(CCCNc2cc3nc(N)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)|
6164 CCNC(=O)Nc1nc2cc(NCCCN3CCN(C)CC3)ncc2cc1-c1c(Cl)cccc1Cl |(2.8,-4.2,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.27,.12,;-10.6,-.65,;-10.6,-2.19,;-11.94,-2.96,;-9.27,-2.96,;-7.94,-2.19,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
6165 CN1CCN(CCCNc2cc3nc(NC(=O)NC(C)(C)C)c(cc3cn2)-c2c(Cl)cccc2Cl)CC1 |(-11.94,-2.96,;-10.6,-2.19,;-10.6,-.65,;-9.27,.12,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,;-7.94,-2.19,;-9.27,-2.96,)|
6166 CCN(CC)CCCCNc1cc2nc(N)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
6167 CCNC(=O)Nc1nc2cc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(2.55,-3.89,;3.88,-3.12,;3.88,-1.58,;5.22,-.81,;6.55,-1.58,;5.22,.73,;3.88,1.5,;2.55,.73,;1.22,1.5,;-.12,.73,;-1.45,1.5,;-2.78,.73,;-4.27,1.13,;-5.36,.04,;-6.85,.44,;-7.94,-.65,;-9.42,-.25,;-9.82,1.24,;-11.31,1.64,;-10.51,-1.34,;-12,-.94,;-1.45,3.05,;-.12,3.82,;1.22,3.05,;2.55,3.82,;3.88,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
6168 CCN(CC)CCCCNc1cc2nc(NC(=O)NC(C)(C)C)c(cc2cn1)-c1c(Cl)cccc1Cl |(-11.31,1.64,;-9.82,1.24,;-9.42,-.25,;-10.51,-1.34,;-12,-.94,;-7.94,-.65,;-6.85,.44,;-5.36,.04,;-4.27,1.13,;-2.78,.73,;-1.45,1.5,;-.12,.73,;1.22,1.5,;2.55,.73,;3.88,1.5,;5.22,.73,;5.22,-.81,;6.55,-1.58,;3.88,-1.58,;3.88,-3.12,;2.55,-3.89,;5.22,-3.89,;3.88,-4.66,;3.88,3.05,;2.55,3.82,;1.22,3.05,;-.12,3.82,;-1.45,3.05,;5.22,3.82,;6.52,3,;6.47,1.46,;7.88,3.72,;7.94,5.26,;6.63,6.08,;5.27,5.35,;3.97,6.17,)|
6169 COc1cc(OC)cc(c1)-c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(CCCOCc1ccccc1)C(C)=O
6170 COc1cc(OC)cc(c1)-c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(CCCCOCc1ccccc1)C(C)=O
6171 COc1cc(OC)cc(c1)-c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(CCCCCOCc1ccccc1)C(C)=O
6172 COc1cc(OC)cc(c1)-c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(CCCO)C(C)=O
6173 COc1cc(OC)cc(c1)-c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(CCCCO)C(C)=O
6174 COc1cc(OC)cc(c1)-c1cc2cnc(cc2nc1NC(=O)NC(C)(C)C)N(CCCCCO)C(C)=O
6175 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCOCc3ccccc3)cc2nc1NC(=O)NC(C)(C)C
6176 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCOCc3ccccc3)cc2nc1NC(=O)NC(C)(C)C
6177 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCOCc3ccccc3)cc2nc1NC(=O)NC(C)(C)C
6178 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCO)cc2nc1NC(=O)NC(C)(C)C
6179 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCO)cc2nc1NC(=O)NC(C)(C)C
6180 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCCCO)cc2nc1NC(=O)NC(C)(C)C
6181 COc1cc(OC)cc(c1)C1Cc2cnc(cc2N=C1NC(=O)NC(C)(C)C)N(CCCOCc1ccccc1)C(C)=O |c:20|
6182 COc1cc(OC)cc(c1)C1Cc2cnc(cc2N=C1NC(=O)NC(C)(C)C)N(CCCCOCc1ccccc1)C(C)=O |c:20|
6183 COc1cc(OC)cc(c1)C1Cc2cnc(cc2N=C1NC(=O)NC(C)(C)C)N(CCCCCOCc1ccccc1)C(C)=O |c:20|
6184 COc1cc(OC)cc(c1)C1Cc2cnc(cc2N=C1NC(=O)NC(C)(C)C)N(CCCO)C(C)=O |c:20|
6185 COc1cc(OC)cc(c1)C1Cc2cnc(cc2N=C1NC(=O)NC(C)(C)C)N(CCCCO)C(C)=O |c:20|
6186 COc1cc(OC)cc(c1)C1Cc2cnc(cc2N=C1NC(=O)NC(C)(C)C)N(CCCCCO)C(C)=O |c:20|
6187 CCNC(=O)Nc1nc2nc(NCCCN3CCN(C)CC3)ncc2cc1-c1cc(OC)cc(OC)c1
6188 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCN3CCN(C)CC3)nc2nc1NC(=O)NC(C)(C)C
6189 CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1cc(OC)cc(OC)c1
6190 CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1cc(OC)cc(OC)c1
6191 COc1cc(OC)cc(c1)-c1cc2cnc(NCCCO)nc2nc1NC(=O)NC(C)(C)C
6192 C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O |r|
6193 COc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1
6194 COc1ccccc1Nc1ncnc2cc(OCCCN3CCOCC3)c(OC)cc12
6195 COc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1
6196 COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1
6197 CCOc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)c1
6198 COc1ccc(Cl)c(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)c1
6199 COc1cc2c(Nc3cccc4occc34)ncnc2cc1OCCCN1CCOCC1
6200 COc1cc2c(Nc3c(Cl)ccc4occc34)ncnc2cc1OCCCN1CCOCC1
6201 COc1cc2c(Nc3cccc4ccoc34)ncnc2cc1OCCCN1CCOCC1
6202 COc1cc2c(Nc3c(Cl)ccc4ccoc34)ncnc2cc1OCCCN1CCOCC1
6203 COc1cc2c(Nc3cccc4CCOc34)ncnc2cc1OCCCN1CCOCC1
6204 COc1cc2c(Nc3cccc4c(Cl)coc34)ncnc2cc1OCCCN1CCOCC1
6205 COc1cc2c(Nc3cccc4[nH]ccc34)ncnc2cc1OCCCN1CCOCC1
6206 COc1cc2c(Nc3cccc4n(C)ccc34)ncnc2cc1OCCCN1CCOCC1
6207 COc1cc2c(Nc3cccc4cc[nH]c34)ncnc2cc1OCCCN1CCOCC1
6208 COc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCCCN1CCOCC1
6209 COc1cc2c(Nc3cccc4OCOc34)ncnc2cc1OCCCN1CCOCC1
6210 COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCCCN1CCOCC1
6211 COc1cc2c(Nc3c4OCOc4ccc3Br)ncnc2cc1OCCCN1CCOCC1
6212 COc1cc2c(Nc3c4OCOc4ccc3F)ncnc2cc1OCCCN1CCOCC1
6213 COc1cc2c(Nc3cccc4OC(F)(F)Oc34)ncnc2cc1OCCCN1CCOCC1
6214 COc1cc2c(Nc3ccc4OCOc4c3)ncnc2cc1OCCCN1CCOCC1
6215 COc1cc2c(Nc3cccc4OCCOc34)ncnc2cc1OCCCN1CCOCC1
6216 Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCCN3CCOCC3)ccc12
6217 COc1cc2ncnc(Nc3c4OCOc4ccc3Cl)c2cc1OCCCN1CCOCC1
6218 COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCC1CCN(C)CC1
6219 COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCCCN1CCCCC1
6220 COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCc1ccnc(c1)C#N
6221 CCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6222 CCNc1ncc2ccc(=O)n(CC)c2n1
6223 CCn1c2nc(NC(C)C)ncc2ccc1=O
6224 CCn1c2nc(NC(C)(C)C)ncc2ccc1=O
6225 CCn1c2nc(NC3CCCCC3)ncc2ccc1=O
6226 CCn1c2nc(NCc3ccccc3)ncc2ccc1=O
6227 CCn1c2nc(ncc2ccc1=O)N(C)c1ccccc1
6228 CCn1c2nc(Nc3ccc(F)cc3)ncc2ccc1=O
6229 CCn1c2nc(Nc3cccc(F)c3)ncc2ccc1=O
6230 CCn1c2nc(Nc3ccncc3)ncc2ccc1=O
6231 CCn1c2nc(Nc3cccc(OC(F)(F)C(F)F)c3)ncc2ccc1=O
6232 CCn1c2nc(Nc3cccc(OC)c3)ncc2ccc1=O
6233 CCn1c2nc(Nc3ccc(OC)cc3)ncc2ccc1=O
6234 CCn1c2nc(Nc3ccc(O)cc3)ncc2ccc1=O
6235 CCn1c2nc(Nc3ccc(OC)c(OC)c3)ncc2ccc1=O
6236 CCn1c2nc(Nc3ccc(O)c(OC)c3)ncc2ccc1=O
6237 CCn1c2nc(Nc3ccc(OCCOC)cc3)ncc2ccc1=O
6238 CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1
6239 CCn1c2nc(Nc3ccc(cc3)N(C)C)ncc2ccc1=O
6240 CCn1c2nc(Nc3ccc(cc3)-n3cccc3)ncc2ccc1=O
6241 CCN(CC)c1ccc(Nc2ncc3ccc(=O)n(CC)c3n2)cc1
6242 CCn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2ccc1=O
6243 CCn1c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2ccc1=O
6244 CCn1c2nc(Nc3ccc(cc3)N3CCC(CCCO)CC3)ncc2ccc1=O
6245 CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O
6246 Cn1c2nc(Nc3ccccc3)ncc2ccc1=O
6247 CC(C)n1c2nc(Nc3ccccc3)ncc2ccc1=O
6248 CCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6249 CCC(C)n1c2nc(Nc3ccccc3)ncc2ccc1=O
6250 CCCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6251 CC(C)Cn1c2nc(Nc3ccccc3)ncc2ccc1=O
6252 CC(C)CCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6253 O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1
6254 O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCC1
6255 O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCCCC1
6256 O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CC2CCC1C2 |THB:17:18:21.22:24|
6257 O=c1ccc2cnc(Nc3ccccc3)nc2n1-c1ccccc1
6258 O=c1ccc2cnc(Nc3ccccc3)nc2n1CC1CCCCC1
6259 O=c1ccc2cnc(Nc3ccccc3)nc2n1Cc1ccccc1
6260 COCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6261 COCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6262 CCOCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
6263 O=c1ccc2cnc(Nc3ccccc3)nc2n1CC1CO1
6264 COC(=O)Cn1c2nc(Nc3ccccc3)ncc2ccc1=O
6265 CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C(C)C)c3n2)cc1
6266 CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
6267 CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
6268 CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCCC4)c3n2)cc1
6269 CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:21:22:25.26:28|
6270 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CCOCc4ccccc4)c3n2)cc1
6271 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(CC(O)CO)c3n2)cc1
6272 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(-c4ccccc4)c3n2)cc1
6273 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC4)c3n2)cc1
6274 CC(C)n1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O
6275 CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O
6276 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
6277 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:20:21:24.25:27|
6278 CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
6279 OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
6280 OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30|
6281 CC(C)n1c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2ccc1=O
6282 O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CC1
6283 O=c1ccc2cnc(Nc3ccccn3)nc2n1C1CCCC1
6284 COc1ccc(Cc2nnc(SCc3ccc(cc3)[N+]([O-])=O)o2)cc1
6285 O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
6286 O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCCC1
6287 Brc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6288 Fc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6289 Nc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6290 Cc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6291 CCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6292 OCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6293 COCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6294 CCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6295 COCCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6296 CCOCCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6297 CCOCCOc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6298 CC(C)COc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6299 CC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6300 CCOC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6301 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6302 CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6303 CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6304 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
6305 Brc1cc2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
6306 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12
6307 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
6308 CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
6309 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6310 CCOC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6311 COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
6312 CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
6313 CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
6314 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCNCC3)ncc12
6315 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCCC3)ncc12
6316 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCC(O)CC3)ncc12
6317 Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCOCC3)ncc12
6318 COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
6319 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n(C2CCCC2)c1=O
6320 CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
6321 CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
6322 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n(C2CCCC2)c1=O
6323 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n(C2CCCC2)c1=O
6324 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCCC3)nc2n(C2CCCC2)c1=O
6325 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n(C2CCCC2)c1=O
6326 CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n(C2CCCC2)c1=O
6327 CC1CN(CC(C)O1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
6328 COc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C
6329 COc1ccc2cnc(Nc3ccc(cc3)N3CCCC3)nc2c1C(C)C
6330 COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C(C)C
6331 COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C
6332 COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C(C)C
6333 COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C(C)C
6334 COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C(C)C
6335 COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C(C)C
6336 COc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1
6337 COc1ccc2cnc(Nc3ccc(cc3)N3CCCC3)nc2c1C1CCCC1
6338 COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C1CCCC1
6339 COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C1CCCC1
6340 COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
6341 COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
6342 COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
6343 COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1
6344 COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C1CCCC1
6345 CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12
6346 Oc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
6347 Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
6348 Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
6349 COc1cc(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
6350 COc1cc(C)c2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1
6351 Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6352 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6353 COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C(C)C
6354 CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
6355 O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
6356 O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
6357 OC(=O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1
6358 O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
6359 CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
6360 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCOCC3)ncc12
6361 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCCC3)ncc12
6362 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(CCCO)CC3)ncc12
6363 CN(CCCC(=O)Nc1cccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
6364 CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6365 FC(F)(F)c1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6366 CC(C)n1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
6367 CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
6368 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
6369 CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
6370 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)OC(C)(C)C)ncc12
6371 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(O)C3)ncc12
6372 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(N)C3)ncc12
6373 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc12
6374 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)ncc12
6375 C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1 |r|
6376 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNC(C)(C)C3)ncc12
6377 Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc12
6378 Cc1c(C)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6379 CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6380 Cc1c(F)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6381 Cc1c(Cl)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6382 C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1 |r|
6383 Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6384 CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
6385 Cc1c(C(O)=O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
6386 COC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
6387 CN(CCCCC(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
6388 OCCCNc1cncc(c1)-c1cncc(Nc2cccc(F)c2)n1
6389 COc1cccc(Nc2cncc(n2)-c2cncc(NCCCO)c2)c1
6390 OCCCNc1cncc(c1)-c1cncc(Nc2ccccc2Cl)n1
6391 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)c1
6392 Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1
6393 Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1Cl
6394 OCCCNc1cncc(c1)-c1cncc(NCc2ccccc2)n1
6395 OCCCNc1cncc(c1)-c1cncc(Oc2cccc(Cl)c2)n1
6396 Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6397 OCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6398 CN(C)CCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6399 CN(C)CCNC(=O)c1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6400 OCCCNC(=O)c1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6401 OCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6402 COCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6403 COCCC(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6404 Clc1cccc(Nc2cncc(n2)-c2cncc(NC(=O)COCc3ccccc3)c2)c1
6405 Clc1cccc(Nc2cncc(n2)-c2cncc(NC(=O)COc3ccccc3)c2)c1
6406 CN(C)c1ccc(cc1)C(=O)Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6407 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCNCC3)c2)c1
6408 CN1CCN(CCCNc2cncc(c2)-c2cncc(Nc3cccc(Cl)c3)n2)CC1
6409 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCOCC3)c2)c1
6410 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCCCC3)c2)c1
6411 Clc1cccc(Nc2cncc(n2)-c2cncc(NCC3CCOCC3)c2)c1
6412 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCCc3ccncc3)c2)c1
6413 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3ccccc3)c2)c1
6414 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCOc3ccccc3)c2)c1
6415 OC(=O)CCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6416 OCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6417 OCCCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6418 CN(C)CCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6419 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3cccnc3)c2)c1
6420 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cccn3)c2)c1
6421 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCn3cncn3)c2)c1
6422 Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCC(=O)N3CCCCC3)c2)c1
6423 OCCCNc1cnc(F)c(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6424 OCCCNc1cnc(Cl)c(c1)-c1cncc(Nc2cccc(Cl)c2)n1
6425 Nc1ncc(NCCCO)cc1-c1cncc(Nc2cccc(Cl)c2)n1
6426 OCCCNc1cncc(c1)-c1cc(Nc2cccc(Cl)c2)ncn1
6427 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
6428 OCCCNc1cncc(c1)-c1cnc(Nc2cccc(Cl)c2)cn1
6429 OCCCNc1cncc(c1)-c1ncc(Nc2cccc(Cl)c2)cn1
6430 OCCCNc1cncc(c1)-c1ncncc1Nc1cccc(Cl)c1
6431 OCCCNc1cncc(n1)-c1cncc(Nc2cccc(Cl)c2)n1
6432 OCCCNc1cccc(n1)-c1cncc(Nc2cccc(Cl)c2)n1
6433 OCCCNc1cc(ccn1)-c1cncc(Nc2cccc(Cl)c2)n1
6434 OCCCNc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1
6435 OCCCNc1ccc(nc1)-c1cncc(Nc2cccc(Cl)c2)n1
6436 OCCCNc1ncc(s1)-c1cncc(Nc2cccc(Cl)c2)n1
6437 OCCCNc1ncc(o1)-c1cncc(Nc2cccc(Cl)c2)n1
6438 COc1cc(Nc2c(cnc3ccsc23)C#N)c(Cl)cc1Cl
6439 COc1cc(Nc2c(cnc3cc(sc23)-c2ccccc2)C#N)c(Cl)cc1Cl
6440 CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 |r|
6441 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6442 COc1cc(Nc2c(cnc3cc(sc23)-c2cccc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
6443 COc1cc(Nc2c(cnc3cc(sc23)-c2ccccc2CN2CCN(C)CC2)C#N)c(Cl)cc1Cl
6444 COc1cc(Nc2c(cnc3c(csc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6445 COc1cc(Nc2c(cnc3sc(cc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6446 CCN(Cc1ccncc1)C(=O)CC1N(Cc2ccc(F)c(F)c2)CCNC1=O
6447 CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Oc4ccc(Cl)cc4Cl)c3s2)CC1
6448 CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(NCc4ccc(Cl)cc4Cl)c3s2)CC1
6449 C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
6450 [O-][N+](=O)c1ccccc1C(=O)Nc1ccncc1
6451 COc1cc(Nc2c(cnc3cc(sc23)-c2coc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
6452 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)o2)C#N)c(Cl)cc1Cl
6453 COc1cc(Nc2c(cnc3cc(sc23)-c2csc(CN3CCN(C)CC3)n2)C#N)c(Cl)cc1Cl
6454 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)cn2)C#N)c(Cl)cc1Cl
6455 COc1cc(Nc2c(cnc3cc(sc23)-c2cccc(CN3CCN(C)CC3)n2)C#N)c(Cl)cc1Cl
6456 COc1cc(Nc2c(cnc3cc(sc23)C#CCN2CCN(C)CC2)C#N)c(Cl)cc1Cl
6457 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN(C)C)cn2)C#N)c(Cl)cc1Cl
6458 COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(cn2)C(=O)N2CCN(C)CC2)C#N)c(Cl)cc1Cl
6459 CN1CCN(Cc2ccc(nc2)-c2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3s2)CC1
6460 COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCOCC5)cc4cc23)C#N)c(C)cc1Cl
6461 COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)C#N)c(C)cc1Cl
6462 COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCOCC5)cc4cc23)C#N)c(Cl)cc1Cl
6463 COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCN(C)CC5)cc4cc23)C#N)c(Cl)cc1Cl
6464 COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCC(O)CC5)cc4cc23)C#N)c(Cl)cc1Cl
6465 COc1cc(Nc2c(cnc3cc4cc(OC)c(OCCN5CCOCC5)cc4cc23)C#N)c(Cl)cc1C
6466 COc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCN(C)CC1
6467 COc1cc2cc3ncc(C#N)c(Nc4cc(OC)c(OC)c(OC)c4)c3cc2cc1OCCN1CCOCC1
6468 COc1cc2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3cc2cc1OCCN1CCOCC1
6469 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
6470 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(C)cc1Cl
6471 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
6472 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
6473 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1Cl
6474 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
6475 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCC(O)CC5)c(OC)cc4cc23)C#N)c(Cl)cc1C
6476 COc1cc(Nc2c(cnc3cc4cc(OCCN5CCOCC5)c(OC)cc4cc23)C#N)c(Cl)cc1F
6477 COc1cc(Nc2c(cnc3cc4cc(OC)c(OC)cc4cc23)C#N)c(C)cc1Cl
6478 COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(cnc3cc2cc1OCCN1CCN(C)CC1)C#N
6479 COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(cnc3cc2cc1OCCN1CCOCC1)C#N
6480 COc1cc2cc3c(Nc4ccc(Cl)cc4Cl)c(cnc3cc2cc1OCCN1CCOCC1)C#N
6481 COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2cccc(CN3CCOCC3)c2)C#N)c(Cl)cc1Cl
6482 COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6483 CCN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
6484 COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2cccc(CCN3CCOCC3)c2)C#N)c(Cl)cc1Cl
6485 COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2ccc(CCN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6486 COc1cc(Nc2c(cnc3cc(ccc23)-c2cccc(CN3CCOCC3)c2)C#N)c(Cl)cc1Cl
6487 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6488 CCN1CCN(Cc2ccc(cc2)-c2ccc3c(Nc4cc(OC)c(Cl)cc4Cl)c(cnc3c2)C#N)CC1
6489 COc1cc(Nc2c(cnc3cc(ccc23)-c2cccc(CCN3CCOCC3)c2)C#N)c(Cl)cc1Cl
6490 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CCN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
6491 CCN1CCN(CCc2ccc(cc2)-c2ccc3c(Nc4cc(OC)c(Cl)cc4Cl)c(cnc3c2)C#N)CC1
6492 COc1cc(Nc2c(cnc3cc(ccc23)-c2cccc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
6493 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
6494 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(CCO)CC3)cc2)C#N)c(Cl)cc1Cl
6495 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccccc2CN2CCOCC2)C#N)c(Cl)cc1Cl
6496 Cc1c(-c2ccc3OCOc3c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
6497 COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
6498 CCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC
6499 CCCCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC
6500 COc1cc2ncnc(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC
6501 COc1cc(Nc2ncnc3cc(OC)c(OC)cc23)cc(OC)c1OC(C)(C)C
6502 CCCCCCCCCCCCOc1c(OC)cc(Nc2ncnc3cc(OC)c(OC)cc23)cc1OC
6503 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC
6504 CCOc1c(OC)cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc1OC
6505 COc1cc2ncc(C#N)c(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC
6506 CCCCCCCCCCCCOc1c(OC)cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc1OC
6507 COc1cc(Nc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1
6508 O=C(CCC1CCCC1)Nc1ccc(cc1)C(=O)NCc1cccnc1
6509 COc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3C)c2cc1OC
6510 COc1cc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3Br)c2cc1OC
6511 COc1cc(Nc2ccnc3cc(OC)c(OC)cc23)cc(OC)c1OC
6512 CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1cc(OC)c(OC)c(OC)c1
6513 COc1cc(Nc2c(CO)cnc3cc(OC)c(OC)cc23)cc(OC)c1OC
6514 COc1cc(Oc2c(cnc3cc(OC)c(OC)cc23)C#N)cc(OC)c1OC
6515 COc1cc2ncc(C#N)c(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC
6516 COc1cc(Nc2c(cnc3cc(\C=C\c4ccncc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6517 COc1cc(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c(Cl)cc1Cl
6518 Clc1ccc(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c(Cl)c1
6519 COc1cc(Nc2c(cnc3cc(C#Cc4cccnc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6520 COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2cccnc2)C#N)c(Cl)cc1Cl
6521 COc1ccc(Cl)c(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c1
6522 COc1ccc(C)c(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c1
6523 Cc1ccc(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c(C)c1
6524 COc1cc(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)cc(OC)c1OC
6525 COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2cccnc2)C#N)cc(OC)c1OC
6526 COc1ccc(Cl)c(Nc2c(cnc3cc(\C=C\c4ccncc4)c(OC)cc23)C#N)c1
6527 COc1cc(Nc2c(cnc3cc(\C=C\c4ccncc4)c(OC)cc23)C#N)cc(OC)c1OC
6528 COc1cc(Nc2c(cnc3cc(C#Cc4cccnc4)c(OC)cc23)C#N)cc(OC)c1OC
6529 COc1cc(Nc2c(cnc3ccc(\C=C\c4ccncc4)cc23)C#N)c(Cl)cc1Cl
6530 COc1cc(Nc2c(cnc3ccc(\C=C\c4ccncc4)cc23)C#N)cc(OC)c1OC
6531 COc1cc(Nc2c(cnc3ccc(cc23)C#Cc2cccnc2)C#N)c(Cl)cc1Cl
6532 COc1cc(Nc2c(cnc3ccc(cc23)C#Cc2cccnc2)C#N)cc(OC)c1OC
6533 COc1cc(Nc2c(cnc3cc(\C=C\c4cnccn4)ccc23)C#N)c(Cl)cc1Cl
6534 COc1cc(Nc2c(cnc3cc(\C=C\c4cnccn4)c(OC)cc23)C#N)c(Cl)cc1Cl
6535 COc1cc(Nc2c(cnc3cc(\C=C\n4ccnc4)ccc23)C#N)c(Cl)cc1Cl
6536 COc1cc(Nc2c(cnc3cc(\C=C\n4ccnc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6537 COc1cc(Nc2c(cnc3cc(\C=C\c4cc[n+]([O-])cc4)ccc23)C#N)c(Cl)cc1Cl
6538 COc1cc(Nc2c(cnc3cc(\C=C\c4cc[n+]([O-])cc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6539 COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1\C=C\c1cc[n+]([O-])cc1)C#N
6540 Clc1ccc(Nc2c(cnc3cc(ccc23)C#Cc2cccnc2)C#N)c(Cl)c1
6541 CCOc1cc(Nc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c(Cl)cc1Cl
6542 Clc1cc(Cl)cc(CNc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c1
6543 Clc1ccc(Oc2c(cnc3cc(\C=C\c4ccncc4)ccc23)C#N)c(Cl)c1
6544 CCOC(=O)c1cnc2cc(\C=C\c3ccncc3)ccc2c1Nc1ccc(Cl)cc1Cl
6545 OC(=O)c1cnc2cc(\C=C\c3ccncc3)ccc2c1Nc1ccc(Cl)cc1Cl
6546 COc1cc(Nc2c(cnc3cc(C=C)ccc23)C#N)c(Cl)cc1Cl
6547 COc1cc(Nc2c(cnc3cc(\C=C\c4ccccc4)ccc23)C#N)c(Cl)cc1Cl
6548 COc1cc(Nc2c(cnc3cc(\C=C\c4ccc(cc4)-c4ccccc4)ccc23)C#N)c(Cl)cc1Cl
6549 COc1cc(Nc2c(cnc3cc(\C=C\c4ccc5ccccc5c4)ccc23)C#N)c(Cl)cc1Cl
6550 COc1cc(Nc2c(cnc3cc(\C=C\c4ccccn4)ccc23)C#N)c(Cl)cc1Cl
6551 COc1cc(Nc2c(cnc3cc(\C=C\c4cccnc4)ccc23)C#N)c(Cl)cc1Cl
6552 COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccccc2)C#N)c(Cl)cc1Cl
6553 COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccc(cc2)-c2ccccc2)C#N)c(Cl)cc1Cl
6554 COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccccn2)C#N)c(Cl)cc1Cl
6555 COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccncc2)C#N)c(Cl)cc1Cl
6556 COc1cc(Nc2c(cnc3cc(CCc4ccncc4)ccc23)C#N)c(Cl)cc1Cl
6557 COc1cc(Nc2c(cnc3cc(\C=C\c4ccccc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6558 COc1cc(Nc2c(cnc3cc(\C=C\c4cccnc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6559 COc1cc(Nc2c(cnc3cc(C#Cc4ccccc4)c(OC)cc23)C#N)c(Cl)cc1Cl
6560 CC(C)Oc1ccc(cc1)-c1c(C)c2cc(O)ccc2n1Cc1ccc(OC2C=CC=C2)cc1 |c:31,33|
6561 CCc1c(C)nc2c(C)cccc2c1SCCC#N
6562 FC(F)(F)COc1cnc(Nc2ccc(cc2)[C@@H]2CNCCO2)nc1 |r|
6563 CC1C(C(C)=O)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:7,9|
6564 Fc1cc(ccc1Nc1ncc(OCC(F)(F)F)cn1)[C@H]1CNCCO1 |r|
6565 [O-][N+](=O)c1ccc2[nH]c3c(CCNC3=O)c2c1
6566 Fc1cc(ccc1Nc1ncc(cn1)C(F)(F)F)[C@@H]1CNCCO1 |r|
6567 Fc1cccc(CSc2nnc3ccc(nn23)-c2ccncc2)c1
6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
6569 Cn1c2nc(Nc3ccc(F)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.18,-.45,;-.18,1.09,;-1.51,1.86,;-2.84,1.08,;-4.18,1.85,;-5.51,1.08,;-6.84,1.86,;-6.84,3.4,;-8.18,4.17,;-9.51,3.4,;-10.84,4.17,;-9.51,1.86,;-8.18,1.08,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,)|
6570 CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-13.51,4.17,;-12.18,3.4,;-10.84,4.17,;-9.51,3.4,;-9.51,1.86,;-8.18,1.08,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-6.84,3.4,;-8.18,4.17,)|
6571 CCN(CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)C(C)=O |(-17.51,3.4,;-16.18,4.17,;-14.85,3.4,;-13.51,4.17,;-12.18,3.4,;-10.84,4.17,;-9.51,3.4,;-9.51,1.86,;-8.18,1.08,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-6.84,3.4,;-8.18,4.17,;-14.85,1.86,;-13.51,1.09,;-16.18,1.09,)|
6572 Cc1cc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)ccc1F |(-2.83,-3.52,;-4.17,-2.76,;-4.17,-1.22,;-5.51,-.46,;-5.51,1.08,;-4.18,1.86,;-4.18,3.4,;-2.84,4.17,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.09,;-6.84,-1.23,;-6.83,-2.77,;-5.5,-3.54,;-5.49,-5.08,)|
6573 COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6574 COc1ccc2cc([nH]c2c1)C(=O)c1cc2ccccc2[nH]1
6575 COc1cccc2cc([nH]c12)C(=O)c1cc2ccccc2[nH]1
6576 COc1ccc2[nH]c(cc2c1)C(=O)c1cc2cc(OC)ccc2[nH]1
6577 Cc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6578 COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2s1
6579 COc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2o1
6580 O=C(c1cc2ccccc2s1)c1cc2ccccc2s1
6581 Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6582 O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCc3ccccc3)ccc2[nH]1
6583 CCOc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6584 O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCOCC3)ccc2[nH]1
6585 CN(C)CCCOc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6586 ICCCCOc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6587 CN(C)CCOc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6588 O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCC3CCCCC3)ccc2[nH]1
6589 ICCCCCOc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6590 CC(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccccc1
6591 O=C(c1cc2ccccc2[nH]1)c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
6592 CC(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6593 COc1ccc(cc1)C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6594 CCCC(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6595 CN(C)CC(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6596 CCC(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6597 O=C(Cc1cccs1)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6598 CC(=O)Oc1ccccc1C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6599 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccc(cc1)-c1ccccc1
6600 O=C(CCc1ccccc1)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6601 [H]C(OC(C)=O)(C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccccc1 |w:1.0|
6602 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccccc1
6603 COc1cccc(CC(=O)Oc2ccc3[nH]c(cc3c2)C(=O)c2cc3ccccc3[nH]2)c1
6604 Clc1ccccc1C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6605 [O-][N+](=O)c1ccc(cc1)C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6606 COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6607 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)\C=C\c1ccccc1
6608 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccco1
6609 COCC(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6610 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccc2ccccc2n1
6611 CCOc1ccc(cc1)C(=O)Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1
6612 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)C1CC1
6613 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)C1CCC1
6614 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1cccnc1
6615 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1
6616 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccccc1Oc1ccccc1
6617 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1
6618 O=C(Oc1ccc2[nH]c(cc2c1)C(=O)c1cc2ccccc2[nH]1)c1ccccc1C(=O)c1ccccc1
6619 O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
6620 CNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
6621 CCCNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
6622 CC(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
6623 CC(C)(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
6624 O=C(Nc1cc(CNC2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
6625 O=C(Nc1cc(CNC2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
6626 O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
6627 O=C(Nc1ccn[nH]1)Nc1cccc2C(=O)N3CCC[C@H]3c12 |r|
6628 O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
6629 O=C(Nc1cc(CN2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
6630 O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
6631 O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@H]3c12 |r|
6632 Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1 |r|
6633 Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1 |r|
6634 Cc1ccc(Cl)cc1NC(=O)Nc1cccc2ccc(O)cc12
6635 CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1
6636 CN(C)c1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
6637 O=C(Nc1ccc2ncccc2c1)Nc1ccc2ncccc2c1
6638 CSc1ccc(NC(=O)Nc2cccc3c(O)cccc23)cc1
6639 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc3-[#8]-[#6]-[#8]-c3c2)-[#6](=O)-[#7]-1
6640 [#8]-c1ccc2ccccc2c1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
6641 Cc1[nH]c2ccccc2c1\C=C1\NC(=S)NC1=O
6642 Nc1nc(N)nc(n1)C1=Cc2cc(Cl)ccc2OC1 |t:9|
6643 COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
6644 Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
6645 Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
6646 Oc1ccc2cccc(NC(=O)Nc3ccccc3)c2c1
6647 Oc1ccc2cccc(NC(=O)Nc3cccnc3)c2c1
6648 Oc1ccc2cccc(NC(=O)Nc3ccncc3)c2c1
6649 Oc1ccc2cccc(NC(=O)Nc3nccs3)c2c1
6650 Oc1ccc2cccc(NC(=O)NCc3ccccc3)c2c1
6651 CC(C)NC(=O)Nc1cccc2ccc(O)cc12
6652 Oc1ccc2cccc(NC(=O)NC3CCCC3)c2c1
6653 Oc1ccc2cccc(NC(=O)Cc3ccccc3)c2c1
6654 Oc1ccc2cccc(NC(=O)Nc3ccccn3)c2c1
6655 O=C(Nc1ccccn1)Nc1cccc2C(=O)c3ccccc3-c12
6656 O=C(Nc1ccc2cn[nH]c2c1)Nc1ccccn1
6657 O=C(Nc1ccccn1)Nc1cccc2ncccc12
6658 O=C(Nc1ccccn1)Nc1cccc2C(=O)NC(=O)c12
6659 O=C(Nc1ccccc1)Nc1ccccn1
6660 O=C(NCc1ccccc1)Nc1ccccn1
6661 O=C(NC1CCCCC1)Nc1ccccn1
6662 CS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6663 CS(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
6664 CSc1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6665 CSc1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
6666 NC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6667 NC(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
6668 CN(C)S(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6669 CN(C)S(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
6670 NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6671 NC(=N)NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6672 Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(cc3)S(=O)(=O)NC(=O)c3ccccc3)cn2c1
6673 OC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
6674 Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccncc3)cn2c1
6675 Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1
6676 Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F
6677 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
6678 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1Cl)C(=O)c1c(F)cccc1F
6679 COc1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
6680 COc1ccccc1C(=O)c1c(N)nc2ccc(cn12)C(=O)c1c(F)cccc1F
6681 Nc1nc2ccc(cn2c1C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(F)cccc1F
6682 Nc1nc2ccc(cn2c1C(=S)c1ccccc1)C(=O)c1c(F)cccc1F
6683 Nc1nc2ccc(cn2c1C(=S)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
6684 COc1cc(F)c(C(=S)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
6685 Nc1nc2ccc(cn2c1C(=O)c1c(F)cc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1Cl
6686 NC(=O)c1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(Cl)cccc2Cl)c(F)c1
6687 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1Cl
6688 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C)c1c(F)cccc1F
6689 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C/C#N)\c1c(F)cccc1F
6690 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=Cc1nnn[nH]1)c1c(F)cccc1F |w:21.24|
6691 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1
6692 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1Cl
6693 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1C(F)(F)F
6694 Cc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
6695 COc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
6696 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1OC(F)(F)F
6697 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(Cl)cccc1Cl
6698 Fc1cc(ccc1Nc1ncc(cn1)C(F)(F)F)[C@H]1CNCCO1 |r|
6699 Nc1nc2ccc(cn2c1C(=O)c1cccs1)C(=O)c1c(F)cccc1F
6700 Nc1nc2ccc(cn2c1C(=O)c1ccc(Cl)cc1)C(=O)c1c(F)cccc1F
6701 Nc1nc2ccc(cn2c1C(=O)c1ccncc1)C(=O)c1c(F)cccc1F
6702 Nc1nc2ccc(cn2c1C(=O)c1c(F)cc(O)cc1F)C(=O)c1c(Cl)cccc1Cl
6703 CCN(CC)CCOc1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(Cl)cccc2Cl)c(F)c1
6704 CN1CCN(CCOc2cc(F)c(C(=O)c3c(N)nc4ccc(cn34)C(=O)c3c(Cl)cccc3Cl)c(F)c2)CC1
6705 Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C\C#N)\c1c(F)cccc1F
6706 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21
6707 Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2c1
6708 Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
6709 Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2cc1F
6710 FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
6711 OCc1c(ccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12)C(F)(F)F
6712 CS(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
6713 Cn1cnc(c1)S(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
6714 NCC(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
6715 CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
6716 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCCc4cccc(c34)c21
6717 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21
6718 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCc4cccc(c34)c21
6719 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCc4cccc(c21)c34
6720 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCc4cccc(c21)c34
6721 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCCc4cccc(c21)c34
6722 Fc1cccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c12
6723 Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2cc1F
6724 Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1
6725 Brc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1
6726 COC(=O)c1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1
6727 Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
6728 Clc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
6729 Brc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
6730 FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
6731 COC(=O)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
6732 O=C1NC(=O)c2c1c1c3ccc(cc3[nH]c1c1n3CCCc4cccc(c34)c21)-c1cccnc1
6733 O=C1NC(=O)c2c1c1c3ccc(cc3[nH]c1c1n3CCCc4cccc(c34)c21)-c1ccncc1
6734 NCc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
6735 O=C1NC(=O)c2c1c1c3ccc(CN4CCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6736 O=C1NC(=O)c2c1c1c3ccc(CN4CCCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6737 O=C1NC(=O)c2c1c1c3ccc(CN4CCCCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6738 O=C1NC(=O)c2c1c1c3ccc(CN4CCOCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6739 O=C1NC(=O)c2c1c1c3ccc(CN4CCSCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6740 O=C1NC(=O)c2c1c1c3ccc(CN4CCNCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6741 O=C1NC(=O)c2c1c1c3ccc(CN4CCCNCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
6742 OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n1c23
6743 OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
6744 OCC1CCn2c3c1cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
6745 OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n1c23
6746 OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
6747 OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(Br)cc6[nH]c5c4n(C1)c23
6748 OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(cc6[nH]c5c4n(C1)c23)C(F)(F)F
6749 COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CO)Cn(c34)c12
6750 OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
6751 OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n1c23
6752 OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n(C1)c23
6753 OCC1CCn2c3c1cccc3c1c3C(=O)NC(=O)c3c3c(ccc4ccccc34)c21
6754 Cn1ccc2ccc3c4n5CC(CO)Cc6cccc(c4c4C(=O)NC(=O)c4c3c12)c56
6755 Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CCl)Cn(c34)c12
6756 CNCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
6757 CN(C)CC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
6758 COC(=O)CC(NCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23)C(=O)OC
6759 NC(=O)[C@@H]1CCCN1CC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23 |r|
6760 COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
6761 COc1cc2C(CNC(=O)c2cc1OC)NC(=O)C(F)(F)F
6762 FC(F)(F)c1ncc(Nc2ccc(cc2)[C@H]2CNCCO2)cn1 |r|
6763 O=C1NC(=O)c2c1c1c3ccccc3n3C4CCC(O4)n4c5ccccc5c2c4c13
6764 CCCCC(=O)Nc1cccn2ncnc12
6765 Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(F)ccc23)c2ccccc12 |t:4|
6766 Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
6767 Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3cc(Br)ccc23)c2ccccc12 |t:4|
6768 Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(Br)cc4[nH]c3c12
6769 OCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:7|
6770 OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
6771 CNCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:8|
6772 CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
6773 Cc1cc(ccc1Nc1ncc(cn1)C(F)(F)F)[C@H]1CNCCO1 |r|
6774 CCCS(=O)(=O)c1c(C(=O)N\N=C\c2cc(O)cc(O)c2)n2cccc(C)c2c1S(=O)(=O)CCC
6775 CNc1nc(Cl)c(Cl)c(n1)N1CCN(CCC2CCC(CC2)NC(=O)N(C)C)CC1 |(-28.01,-6.93,;-28.01,-5.39,;-26.67,-4.62,;-26.67,-3.08,;-25.34,-2.31,;-25.34,-.77,;-24.01,-3.08,;-22.67,-2.31,;-24.01,-4.62,;-25.34,-5.39,;-22.67,-5.39,;-22.67,-6.93,;-21.34,-7.7,;-20.01,-6.93,;-18.67,-7.7,;-17.34,-6.93,;-16,-7.7,;-16,-9.24,;-14.67,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-12,-10.01,;-10.67,-9.24,;-10.67,-7.7,;-9.34,-10.01,;-8,-9.24,;-9.34,-11.55,;-20.01,-5.39,;-21.34,-4.62,)|
6776 Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
6777 COc1ccc2c(c[nH]c2c1)C1=C(C(=O)NC1=O)c1c[nH]c2cc(OC)ccc12 |t:13|
6778 COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3C(=O)NC(=O)c3c21
6779 Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1Cc1cccs1
6780 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12 |t:4|
6781 Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12
6782 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3cc[nH]c3c21
6783 Cn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6784 CCn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6785 Cn1ccc2ccc3c4[nH]c5cccc(F)c5c4c4C(=O)NC(=O)c4c3c12
6786 Cn1ccc2ccc3c4[nH]c5cccc(Br)c5c4c4C(=O)NC(=O)c4c3c12
6787 Cn1ccc2ccc3c4[nH]c5cccc(CO)c5c4c4C(=O)NC(=O)c4c3c12
6788 COc1cccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c12
6789 Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4C(=O)NC(=O)c4c3c12
6790 Cn1ccc2ccc3c4[nH]c5ccc(Br)cc5c4c4C(=O)NC(=O)c4c3c12
6791 Cn1ccc2ccc3c4[nH]c5ccc(cc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F
6792 Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
6793 COc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
6794 Cn1ccc2ccc3c4[nH]c5cc(F)ccc5c4c4C(=O)NC(=O)c4c3c12
6795 Cn1ccc2ccc3c4[nH]c5cc(Br)ccc5c4c4C(=O)NC(=O)c4c3c12
6796 Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F
6797 Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C#N
6798 Cc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6799 CCc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6800 Oc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12
6801 Cn1ccc2ccc3c4[nH]c5cc(O)ccc5c4c4C(=O)NC(=O)c4c3c12
6802 COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12
6803 COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6804 CCOc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6805 O=C1NC(=O)c2c1c1c3ccc(OCc4ccccc4)cc3[nH]c1c1ccc3cc[nH]c3c21
6806 Cn1ccc2ccc3c4[nH]c5cc(OCc6ccccc6)ccc5c4c4C(=O)NC(=O)c4c3c12
6807 Cn1ccc2ccc3c4[nH]c5c(Br)cccc5c4c4C(=O)NC(=O)c4c3c12
6808 COc1cccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6809 Cn1ccc2ccc3c4[nH]c5c(CCO)cccc5c4c4C(=O)NC(=O)c4c3c12
6810 Cn1ccc2ccc3c4[nH]c5c(CCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
6811 Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
6812 Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6813 COc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
6814 COc1cc2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c2c2n(C)ccc12
6815 Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
6816 COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3cc(C)c12
6817 Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(cc4[nH]c3c12)C(F)(F)F
6818 OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4[nH]ccc4ccc3c12
6819 Cn1ccc2ccc3c4n(CCCO)c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6820 CCn1ccc2ccc3c4n(CCCO)c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6821 COc1ccc2c(c1)n(CCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6822 COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6823 Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4n(C)c3c12
6824 Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCCO)c3c12
6825 Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CCCCO)c3c12
6826 Cn1ccc2cc(F)c3c4n(CCCO)c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6827 COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r|
6828 COc1ccc2c(c1)n(CCN1CCCCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6829 COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6830 COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 |r,wU:15.16,wD:12.12,(-7.72,-2.27,;-7.56,-.74,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-3.5,-.4,;-4.91,-1.02,;-2.09,-1.02,;-1.77,-2.53,;-2.92,-3.56,;-2.6,-5.06,;-3.74,-6.1,;-5.07,-5.33,;-6.41,-6.1,;-6.41,-7.64,;-7.74,-8.41,;-5.07,-8.41,;-3.74,-7.64,;-1.06,.12,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,;3.82,2.6,;3.5,4.11,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,)|
6831 COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6832 COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6833 COc1ccc2c(c1)n(CCCN1CCN(C)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6834 COc1ccc2c(c1)n(CCCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6835 COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6836 COc1ccc2c(c1)n(CCCN1CCSCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6837 COC(=O)C1CCN(CCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
6838 Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(CC6)C(N)=O)cccc5c4c4C(=O)NC(=O)c4c3c12
6839 Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
6840 Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12
6841 Cn1ccc2ccc3c4[nH]c5c(CCN6CCC[C@H]6CO)cccc5c4c4C(=O)NC(=O)c4c3c12 |r|
6842 Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
6843 Cn1ccc2ccc3c4[nH]c5c(CCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
6844 Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
6845 Cn1ccc2ccc3c4[nH]c5c(CCN6CCSCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
6846 Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)|
6847 CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
6848 Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
6849 Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
6850 CCN(CC)CCCc1cccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
6851 Cn1ccc2ccc3c4[nH]c5c(CCCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:19.19,wD:16.15,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.84,-4.74,;-8.32,-5.14,;-9.66,-4.37,;-9.66,-2.83,;-10.99,-2.06,;-12.33,-2.83,;-13.66,-2.06,;-12.33,-4.37,;-10.99,-5.14,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)|
6852 COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cn(C)c(=O)n(C)c2=O)c(OC)n1
6853 COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1
6854 Clc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6855 FC(F)(F)c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6856 COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6857 COc1ccc2c(c1)[nH]c1c3[nH]c4cc(Br)ccc4c3c3C(=O)NC(=O)c3c21
6858 Brc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
6859 Brc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
6860 Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6861 Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6862 Fc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6863 COc1ncc(-c2nc3C(=O)N(C(c3n2C(C)C)c2ccc(Cl)cc2)c2cc(Cl)cn(C)c2=O)c(OC)n1
6864 Cc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
6865 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1ccccc1
6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
6867 Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
6868 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F
6869 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1cccs1
6870 Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
6871 Cc1cc(C)c(s1)C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
6872 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1F
6873 CN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
6874 Nc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)nn1C(=O)c1c(F)cccc1F
6875 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1Cc1c(F)cccc1F
6876 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F
6877 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
6878 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
6879 Cc1ccc(F)c(C(=O)n2nc(N)nc2Nc2ccc(cc2)S(N)(=O)=O)c1F
6880 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)n(n1)C(=S)Nc1c(F)cccc1F
6881 Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F
6882 Nc1nc(Nc2ccc(cc2)C#N)ccc1C(=O)c1c(F)cccc1F
6883 NC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
6884 Nc1nc(Nc2ccc(cc2)C(O)=O)ccc1C(=O)c1c(F)cccc1F
6885 Nc1nc(Nc2ccccc2[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
6886 Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
6887 CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
6888 Nc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
6889 Nc1nc(Nc2ccccc2NS(=O)(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
6890 Nc1nc(Nc2cccc(c2)[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
6891 Nc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F
6892 Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
6893 Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
6894 CNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
6895 Nc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F
6896 CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
6897 Nc1nc(Nc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1C(=O)c1c(F)cccc1F
6898 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ccc1C(=O)c1c(F)cccc1F
6899 CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1
6900 CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
6901 CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
6902 CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1
6903 CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1
6904 CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1
6905 Nc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F
6906 Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
6907 Nc1ccc(C(=O)c2ccccc2F)c(N)n1
6908 Nc1ccc(C(=O)c2ccccc2)c(N)n1
6909 Nc1ccc(C(=O)c2ccco2)c(N)n1
6910 Nc1ccc(C(=O)c2cccs2)c(N)n1
6911 CCCCOc1cc(N)nc(N)c1C(=O)c1c(F)cccc1F
6912 CCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)nc(N)c1C(=O)c1c(F)cccc1F
6913 CCCCOc1cc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C(=O)c1c(F)cccc1F
6914 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)C(C)C)c3C(=O)c12
6915 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)CCc4ccc(O)cc4)c3C(=O)c12
6916 COc1ccc(cc1)C(=O)NNC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(OC)cc1
6917 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cccc(c4)[N+]([O-])=O)c3C(=O)c12
6918 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cc(OC)c(OC)c(OC)c4)c3C(=O)c12
6919 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cccc(C)c4)c3C(=O)c12
6920 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)c(N)c4)c3C(=O)c12
6921 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cc(Cl)ccc4Cl)c3C(=O)c12
6922 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)c(O)c4)c3C(=O)c12
6923 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cc(N)cc(N)c4)c3C(=O)c12
6924 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(N)=O)c3C(=O)c12
6925 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)Nc4ccccc4)c3C(=O)c12
6926 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cccc5ccccc45)c3C(=O)c12
6927 COC(=O)NNC(=O)Nc1cccc2-c3[nH]nc(c3C(=O)c12)-c1ccc(OC)cc1
6928 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccccc4OC)c3C(=O)c12
6929 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(C)cc4)c3C(=O)c12
6930 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccccc4O)c3C(=O)c12
6931 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc5ccccc5c4)c3C(=O)c12
6932 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)Cc4ccccc4)c3C(=O)c12
6933 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cc(OC)cc(OC)c4)c3C(=O)c12
6934 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccccc4)c3C(=O)c12
6935 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccncc4)c3C(=O)c12
6936 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cccnc4)c3C(=O)c12
6937 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4O)c3C(=O)c12
6938 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(C)=O)c3C(=O)c12
6939 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(O)cc4)c3C(=O)c12
6940 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)C(N)=O)c3C(=O)c12
6941 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4cccc(N)c4)c3C(=O)c12
6942 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)NNC(=O)c4ccc(N)cc4)c3C(=O)c12
6943 Oc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccccc1
6944 COc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccccc1
6945 Oc1cccc2ccc3[nH]c4c(cccc4c3c12)-c1ccccc1
6946 Oc1ccc2c3c(ccc2c1)[nH]c1c(cccc31)-c1ccccc1
6947 Oc1cccc2c3c(ccc12)[nH]c1c(cccc31)-c1ccccc1
6948 Nc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccccc1
6949 c1ccc(cc1)-c1cccc2c1[nH]c1ccc3ccccc3c21
6950 Oc1ccc2ccc3[nH]c4cc(ccc4c3c2c1)-c1ccccc1
6951 Oc1ccc2ccc3[nH]c4ccc(cc4c3c2c1)-c1ccccc1
6952 Oc1ccc2ccc3[nH]c4cccc(-c5ccccc5)c4c3c2c1
6953 Oc1ccc2ccc3[nH]c4ccccc4c3c2c1
6954 c1ccc2c(c1)[nH]c1ccc3cccnc3c21
6955 c1ccc2c(c1)[nH]c1ccc3ccncc3c21
6956 c1ccc2c(c1)[nH]c1ccc3cnccc3c21
6957 c1ccc2c(c1)[nH]c1ccc3ncccc3c21
6958 [O-][n+]1ccc2ccc3[nH]c4ccccc4c3c2c1
6959 [O-][n+]1ccc2c3c(ccc2c1)[nH]c1ccccc31
6960 Nc1cccc(c1)-c1cccc2c1[nH]c1ccc3ccc(O)cc3c21
6961 Oc1ccc(cc1)-c1cccc2c1[nH]c1ccc3ccc(O)cc3c21
6962 Oc1ccc2ccc3[nH]c4c(cccc4c3c2c1)-c1ccc(Cl)cc1
6963 CC(C)(C)Nc1nc(nc2ccccc12)C(Cl)(Cl)Cl
6964 CC(C)(C)Nc1nc(nc2ccccc12)C(F)(F)F
6965 CC(C)(C)Nc1nc(nc2ccccc12)C(F)(F)C(F)(F)F
6966 CC(C)(C)Nc1nc(nc2ccccc12)-c1ccccc1
6967 CCOC(=O)c1nc(NC(C)(C)C)c2ccccc2n1
6968 CC(C)(C)Nc1nc(nc2ccccc12)C(N)=O
6969 CC(C)(C)Nc1nc(nc2ccccc12)C(O)=O
6970 CC(C)(C)Nc1ncnc2ccccc12
6971 CC(C)(C)Nc1nc(Nc2ccccc2)nc2ccccc12
6972 CCC(C)(C)Nc1nc(nc2ccccc12)C(F)(F)F
6973 CC(C)S(=O)(=O)Nc1nc(nc2ccccc12)C(F)(F)F
6974 CCCC(C)Nc1nc(nc2ccccc12)C(F)(F)F
6975 OC1CCCN(C1)c1nc(nc2ccccc12)C(F)(F)F
6976 OCC1CCCN1c1nc(nc2ccccc12)C(F)(F)F
6977 CC(C)(CO)Nc1nc(nc2ccccc12)C(F)(F)F
6978 Fc1cccc(CNc2nc(nc3ccccc23)C(F)(F)F)c1
6979 Fc1cc(F)cc(CNc2nc(nc3ccccc23)C(F)(F)F)c1
6980 CC(Nc1nc(nc2ccccc12)C(F)(F)F)c1ccccc1
6981 C[C@@H](Nc1nc(nc2ccccc12)C(F)(F)F)c1ccccc1 |r|
6982 C[C@H](Nc1nc(nc2ccccc12)C(F)(F)F)c1ccccc1 |r|
6983 CC(Nc1nc(nc2ccccc12)C(F)(F)F)c1ccc(F)cc1
6984 CC(C)(Nc1nc(nc2ccccc12)C(F)(F)F)c1ccccc1
6985 CC(C)(C)Nc1nc(nc2ccc(O)cc12)C(F)(F)F
6986 CC(C)(C)Nc1nc(nc2ccc(NC=O)cc12)C(F)(F)F
6987 CC(C)(C)Nc1nc(nc2ccc(cc12)C(F)(F)F)C(F)(F)F
6988 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccsc1)C(F)(F)F
6989 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccco1)C(F)(F)F
6990 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccs1)C(F)(F)F
6991 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccnc1)C(F)(F)F
6992 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccccc1)C(F)(F)F
6993 COc1ccccc1-c1ccc2nc(nc(NC(C)(C)C)c2c1)C(F)(F)F
6994 COc1ccc(cc1)-c1ccc2nc(nc(NC(C)(C)C)c2c1)C(F)(F)F
6995 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccc(O)cc1)C(F)(F)F
6996 COc1cccc(c1)-c1ccc2nc(nc(NC(C)(C)C)c2c1)C(F)(F)F
6997 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccc(O)c1)C(F)(F)F
6998 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccc(c1)-c1cccnc1)C(F)(F)F
6999 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccc(Cl)cc1)C(F)(F)F
7000 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccc(Cl)cc1Cl)C(F)(F)F
7001 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccc(N)c1)C(F)(F)F
7002 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1ccc(N)cc1)C(F)(F)F
7003 CC(C)(C)Nc1nc(nc2ccc(cc12)-c1cccc(c1)C(N)=O)C(F)(F)F
7004 CN(C1CCS(=O)(=O)C1)c1ncnc2sc3CCCc3c12
7005 COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC=O)c3C(=O)c12
7006 CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)c1nc2c(cccc2[nH]1)-c(:c:c):c:c)C(=O)CCCCCCCCCCC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)c1nc2c(cccc2[nH]1)-c1ccccc1 |r|
7007 COc1ccc(cc1)-c1[nH]nc2-c3cccc(NC(=O)C(C)C)c3C(=O)c12
7008 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)C(C)(C)C)c3C(=O)c12
7009 Cn1c2nc(COc3ccc(cc3)C(C)(C)C)[nH]c2c(=O)n(C)c1=O
7010 COc1ccc(cc1)-c1n[nH]c2-c3cccc(NC(=O)c4ccccc4)c3C(=O)c12
7011 NC(=O)OC(CCCN1CCN(CC1)c1ccccn1)c1ccccc1
7012 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCCOc2c1
7013 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2ccccc2c1
7014 COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc(OC)c1
7015 COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)c(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1OC
7016 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCOc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCOc2c1 |r|
7017 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCc3c2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc2OCCc2c1
7018 CN1CCOc2ccc(C[C@@H]3[C@H](O)[C@@H](O)[C@@H](Cc4ccc5OCCN(C)c5c4)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)cc12
7019 CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1
7020 Nc1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(N)c3)C2=O)c1
7021 CNc1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(N)c3)C2=O)c1
7022 CNc1cccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3cccc(NC)c3)C2=O)c1
7023 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccc2OCCOc2c1
7024 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccc2OCCOc2c1
7025 OCc1ccc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3ccc(CO)cc3)C2=O)cc1
7026 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3OCCOc3c2)N(Cc2ccc(O)cc2)C(=O)N(Cc2ccc(O)cc2)[C@@H]1Cc1ccc2OCCOc2c1
7027 CC(=O)c1cc(CN2[C@H](Cc3ccc4OCCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCOc4c3)N(Cc3ccc(F)c(c3)C(C)=O)C2=O)ccc1F
7028 CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1
7029 Nc1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(N)c3)C2=O)c1
7030 CNc1cccc(CN2[C@H](Cc3ccc4OCCc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCCc4c3)N(Cc3cccc(NC)c3)C2=O)c1
7031 CC(=O)c1cccc(CN2[C@H](Cc3ccc4OCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCOc4c3)N(Cc3cccc(c3)C(C)=O)C2=O)c1
7032 CC(=O)c1cc(CN2[C@H](Cc3ccc4OCOc4c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc4OCOc4c3)N(Cc3ccc(F)c(c3)C(C)=O)C2=O)ccc1F
7033 COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(Cc3cccc(c3)C(C)=O)C(=O)N2Cc2cccc(c2)C(C)=O)cc(OC)c1
7034 CN1CCOc2ccc(C[C@@H]3[C@H](O)[C@@H](O)[C@@H](Cc4ccc5OCCN(C)c5c4)N(Cc4cccc(c4)C(C)=O)C(=O)N3Cc3cccc(c3)C(C)=O)cc12
7035 C[C@@H]1[C@H](O)[C@@H](O)[C@@H](C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
7036 CC(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)C(C)C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
7037 CSc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(SC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
7038 CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
7039 CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
7040 O[C@@H]1[C@@H](O)[C@@H](Cc2c[nH]c3ccccc23)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1c[nH]c2ccccc12
7041 O[C@@H]1[C@@H](O)[C@@H](CC2CCCCC2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1CC1CCCCC1
7042 [#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#6]-[#8]-[#6]-[#6]-[#6]-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
7043 NC(=O)OC(CCCN1CCN(CC1)c1ncccc1Cl)c1ccccc1
7044 O[C@@H]1[C@@H](O)[C@@H](Cc2ccoc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccoc1
7045 CSc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(SC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1
7046 CS(=O)(=O)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)S(C)(=O)=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
7047 COc1ccccc1C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2OC)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
7048 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1O
7049 COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1
7050 COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
7051 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(O)cc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccc(O)cc1
7052 Nc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(N)c3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1
7053 CN(C)c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(c3)N(C)C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1
7054 Nc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
7056 CN(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)N(C)C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
7057 O[C@@H]1[C@@H](O)[C@@H](Cc2ccncc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccncc1
7058 Cc1ccc(C)n1-c1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(c3)-n3c(C)ccc3C)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)c1
7059 Cc1nn(c(C)c1\C=N\OC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C
7060 COc1ccc(cc1)N1CCN(CCC[C@@H](OC(N)=O)c2ccccc2)CC1 |r|
7061 CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(CC2CC2)C(=O)N1CC1CC1
7062 CC(C)[C@@H]1[C@H](O)[C@@H](O)[C@@H](C(C)C)N(CC2CC2)C(=O)N1CC1CC1
7063 CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(CC2CC2)C(=O)N1CC1CC1
7064 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(F)cc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccc(F)cc1
7065 COc1ccccc1C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2OC)N(CC2CC2)C(=O)N1CC1CC1
7066 COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)c1
7067 O[C@@H]1[C@@H](O)[C@@H](Cc2cccc(O)c2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1cccc(O)c1
7068 COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(CC3CC3)C(=O)N2CC2CC2)cc1
7069 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc3ccccc3c2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccc2ccccc2c1
7070 COc1cc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cc(OC)cc(OC)c3)N(CC3CC3)C(=O)N2CC2CC2)cc(OC)c1
7071 O[C@@H]1[C@@H](O)[C@@H](Cc2cccs2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1cccs1
7072 CSCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCSC)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1
7073 OCc1ccc(CN2[C@H](CC3CCCCC3)[C@H](O)[C@@H](O)[C@@H](CC3CCCCC3)N(Cc3ccc(CO)cc3)C2=O)cc1
7074 OCc1ccc(CN2[C@H](Cc3ccc(F)cc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc(F)cc3)N(Cc3ccc(CO)cc3)C2=O)cc1
7075 COc1cccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3cccc(OC)c3)N(Cc3ccc(CO)cc3)C(=O)N2Cc2ccc(CO)cc2)c1
7076 OCc1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)[C@H](O)[C@@H](O)[C@@H](Cc3ccc(F)c(F)c3)N(Cc3ccc(CO)cc3)C2=O)cc1
7077 OCc1ccc(CN2[C@H](Cc3ccncc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccncc3)N(Cc3ccc(CO)cc3)C2=O)cc1
7078 COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3ccc(CO)cc3)C(=O)N2Cc2ccc(CO)cc2)cc1
7079 CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2ccc(CO)cc2)C(=O)N1Cc1ccc(CO)cc1
7080 CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
7081 CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](CC(C)C)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
7082 CCCCCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](CCCCCC)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
7083 O[C@@H]1[C@@H](O)[C@@H](C2CCCCC2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1C1CCCCC1
7084 Nc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(N)cc3)N(Cc3cccc(c3)C(=O)Nc3nc4ccccc4[nH]3)C(=O)N2Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)cc1
7085 CN(C)c1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(cc3)N(C)C)N(Cc3cccc(c3)C(=O)Nc3nc4ccccc4[nH]3)C(=O)N2Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)cc1
7086 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(O)cc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccc(O)cc1
7087 O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccc(OCc2ccccc2)cc1
7088 COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3cccc(c3)C(=O)Nc3nc4ccccc4[nH]3)C(=O)N2Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)cc1
7089 CC[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
7090 CC(C)C[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
7091 CCCCCC[C@@H]1[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N1Cc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
7092 CO[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
7093 CO[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
7094 FC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1
7095 N[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
7096 O=C(Nc1cc(n[nH]1)C1CC1)C(c1ccccc1)c1ccccc1
7097 O=C(Nc1cc(n[nH]1)C1CC1)C(=O)c1ccccc1
7098 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
7099 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
7100 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
7101 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
7102 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCCC1=O
7103 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCC(C(N)=O)C1=O
7104 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1C(C)CCC1=O
7105 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1C(CCC1=O)c1ccccc1
7106 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
7107 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
7108 O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
7109 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1c(O)ccc1O
7110 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
7111 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
7112 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc(O)[nH]c1=O
7113 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1c(O)c[nH]c1=O
7114 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc[nH]c1=O
7115 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cn[nH]c1=O
7116 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(Cc2ccccc2)C1=O
7117 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
7118 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
7119 C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
7120 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
7121 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCS1(=O)=O
7122 CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1
7123 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1 |r|
7124 Cc1cc(NC(=O)c2ccccc2)[nH]n1
7125 CCCC(=O)Nc1cc(C)[nH]n1
7126 CCCC(=O)Nc1cc([nH]n1)C1CC1
7127 O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
7128 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
7129 Clc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
7130 COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
7131 OC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
7132 NC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
7133 Brc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
7134 Clc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
7135 COc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
7136 FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
7137 Brc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
7138 Clc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
7139 COc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
7140 Clc1cccc(Cl)c1C(=O)Nc1cc(n[nH]1)C1CC1
7141 Clc1ccc(cc1Cl)C(=O)Nc1cc(n[nH]1)C1CC1
7142 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCC1
7143 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCC1
7144 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
7145 Cc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
7146 CCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
7147 CCCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
7148 CC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
7149 CCC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
7150 CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
7151 Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
7152 Brc1ccc(cc1)C(=O)Nc1cc(Cc2ccccc2)[nH]n1
7153 O=C(Cc1ccccc1)Nc1cc(n[nH]1)C1CC1
7154 NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
7155 COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1
7156 O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
7157 FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
7158 O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc(n[nH]1)C1CC1
7159 Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
7160 Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
7161 OC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
7162 NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
7163 O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
7164 Cc1nc2ccccn2c1-c1cc[nH]c(=S)n1
7165 O=C(Cc1cccc2ccccc12)Nc1cc(n[nH]1)C1CC1
7166 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)S(N)(=O)=O
7167 NC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1ccc1[nH]ncc21
7168 CNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7169 CNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7170 CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7171 CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7172 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7173 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7174 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7175 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7176 CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7177 CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7178 NC(=O)c1[nH]nc-2c1CCc1[nH]ncc-21
7179 NC(=O)c1nnc2c3c[nH][nH]c3ccc12
7180 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccccc1
7181 NC(=O)c1nn(-c2ccccc2)c2c1ccc1[nH]ncc21
7182 Cc1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7183 Cc1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7184 COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7185 COc1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7186 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(Cl)cc1
7187 NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1ccc1[nH]ncc21
7188 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(F)cc1
7189 NC(=O)c1nn(-c2ccc(F)cc2)c2c1ccc1[nH]ncc21
7190 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)C(F)(F)F
7191 NC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c2c1ccc1[nH]ncc21
7192 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(OC(F)(F)F)cc1
7193 NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1ccc1[nH]ncc21
7194 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)C#N
7195 NC(=O)c1nn(-c2ccc(cc2)C#N)c2c1ccc1[nH]ncc21
7196 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)N1CCOCC1
7197 NC(=O)c1nn(-c2ccc(cc2)N2CCOCC2)c2c1ccc1[nH]ncc21
7198 NC(=O)c1nn(-c2ccc(cc2)-c2ncc[nH]2)c2c1ccc1[nH]ncc21
7199 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)-c1ncc[nH]1
7200 Cc1cccc(c1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
7201 Cc1cccc(c1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7202 NC(=O)c1nn(-c2cccc(Cl)c2)c2c1ccc1[nH]ncc21
7203 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccc(Cl)c1
7204 NC(=O)c1nn(-c2cccc(F)c2)c2c1ccc1[nH]ncc21
7205 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccc(F)c1
7206 NC(=O)c1nn(-c2ccccn2)c2c1ccc1[nH]ncc21
7207 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccccn1
7208 NC(=O)c1nn(-c2cccnc2)c2c1ccc1[nH]ncc21
7209 NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccnc1
7210 NC(=O)c1nn(Cc2ccccc2)c2c1ccc1[nH]ncc21
7211 NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1[nH]ncc-21
7212 Cn1nc(C(N)=O)c2ccc3[nH]ncc3c12
7213 Cn1nc(C(N)=O)c2CCc3[nH]ncc3-c12
7214 NC(=O)c1nn(CC(F)(F)F)c2c1ccc1[nH]ncc21
7215 NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1[nH]ncc-21
7216 NC(=O)c1nn(CCO)c2c1ccc1[nH]ncc21
7217 NC(=O)c1nn(CCO)c-2c1CCc1[nH]ncc-21
7218 CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ccc1[nH]ncc21
7219 CCOC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(OC)cc1
7220 COc1ccc(cc1)-n1nc(C(O)=O)c2ccc3[nH]ncc3c12
7221 COc1ccc(cc1)-n1nc(C(O)=O)c2CCc3[nH]ncc3-c12
7222 COc1ccc(cc1)-n1nc(C(=O)NN)c2ccc3[nH]ncc3c12
7223 COc1ccc(cc1)-n1nc(C(=O)NN)c2CCc3[nH]ncc3-c12
7224 COc1ccc(cc1)-n1nc(C(=O)NO)c2ccc3[nH]ncc3c12
7225 COc1ccc(cc1)-n1nc(C(=O)NO)c2CCc3[nH]ncc3-c12
7226 COc1ccc(cc1)-n1nc(C(=O)NOCC=C)c2CCc3[nH]ncc3-c12
7227 COc1ccc(cc1)-n1nc(C#N)c2ccc3[nH]ncc3c12
7228 COc1ccc(cc1)-n1nc(C(=N)NO)c2ccc3n[nH]cc3c12
7229 COc1ccc(cc1)-n1nc(N)c2ccc3[nH]ncc3c12
7230 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)OCC)c2CCc3[nH]ncc3-c12
7231 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(O)=O)c2CCc3[nH]ncc3-c12
7232 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NC)c2ccc3[nH]ncc3c12
7233 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NC)c2CCc3[nH]ncc3-c12
7234 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NOCC=C)c2ccc3[nH]ncc3c12
7235 CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NOCC=C)c2CCc3[nH]ncc3-c12
7236 CCOC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(C)cc1
7237 CC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(C)cc1
7238 COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
7239 COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7240 CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7241 NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7242 CC(C)NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7243 CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7244 OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7245 Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7246 Clc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7247 Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c2c1
7248 Cc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
7249 OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCOC4=O)c12
7250 O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCOC2=O
7251 COc1ccc2\C(=C\c3[nH]cc4c3CCOC4=O)C(=O)Nc2c1
7252 O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCOC2=O)-c1ccccc1
7253 COc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
7254 CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
7255 CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
7256 OC(=O)c1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
7257 Fc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
7258 Brc1ccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c2c1
7259 OCCc1cccc2NC(=O)\C(=C/c3[nH]cc4c3CCNC4=O)c12
7260 O=C1Nc2cccc(C3CCNCC3)c2\C1=C\c1[nH]cc2c1CCNC2=O
7261 O=C1Nc2cc(ccc2\C1=C\c1[nH]cc2c1CCNC2=O)-c1ccccc1
7262 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7263 O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1
7264 COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2cc1OC
7265 COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C#N)-c2cc1OC
7266 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7267 Clc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7268 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7269 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
7270 COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2cc1OC
7271 COC(=O)Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
7272 Fc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7273 COc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1OC
7274 Oc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1O
7275 Cc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7276 Brc1ccc2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
7277 Brc1ccc2NC(=O)Cc3c([nH]c4ccccc34)-c2c1
7278 Clc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
7279 OCC#Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
7280 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
7281 Ic1ccc2NC(=O)Cc3c([nH]c4ccccc34)-c2c1
7282 OCCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
7283 Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
7284 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(\C=C\C#N)cc-34)c2c1
7285 COC(=O)CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
7286 Cc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
7287 O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
7288 CCc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
7289 ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
7290 Brc1ccc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2c1
7291 Brc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
7292 COc1cc2NC(=O)Cc3c([nH]c4ccccc34)-c2cc1OC
7293 COC(=O)\C=C\c1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
7294 CSC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
7295 CC(=O)C=Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 |w:4.4|
7296 CCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
7297 Brc1ccc2[nH]c-3c(CC(=S)Nc4ccccc-34)c2c1
7298 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
7299 OC1(CCCCC1)C#Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
7300 CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
7301 COc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7302 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(I)cc-34)c2c1
7303 CC(C)(C)OC(=O)n1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
7304 Brc1ccc2n(CC=C)c-3c(CC(=O)Nc4ccccc-34)c2c1
7305 Oc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
7306 Clc1cc(Cl)c2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
7307 Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
7308 COc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
7309 CCN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
7310 CC(C)(C)OC(=O)C1c2c([nH]c3ccc(Br)cc23)-c2ccccc2N(C(=O)OC(C)(C)C)C1=O
7311 COc1cccc2-c3[nH]c4ccccc4c3CC(=O)Nc12
7312 Brc1ccc2[nH]c-3c(CCCc4ccccc-34)c2c1
7313 S=C1Cc2c(cc(nc2-c2ccccc2N1)-c1ccccc1)-c1cccs1
7314 CC(C)(C)OC(=O)C1c2c(-c3ccccc3N(C(=O)OC(C)(C)C)C1=O)n(C(=O)OC(C)(C)C)c1ccc(Br)cc21
7315 CC(C)(C)OC(=O)N1c2ccccc2-c2c(CC1=O)c1cc(Br)ccc1n2C(=O)OC(C)(C)C
7316 Clc1ccc(cc1)-c1cc(nc-2c1CC(=S)Nc1ccccc-21)-c1ccc2ccccc2c1
7317 C1Cc2c([nH]c3ccccc23)-c2ccccc2C1
7318 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccc(I)cc-34)c2c1
7319 O=C1Cc2c([nH]c3ccccc23)-c2cc(ccc2N1)C#N
7320 COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)C(F)(F)F
7321 Nc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7322 Oc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1
7323 CC(=O)Nc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
7324 COc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
7325 CC(=O)Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1
7326 Clc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
7327 FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
7328 COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)C#N
7329 COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O
7330 COc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
7331 Cc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
7332 O=C1Cc2c([nH]c3ncccc23)-c2ccccc2N1
7333 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=S)Nc4ccccc-34)c2c1
7334 CSC1=Nc2ccccc2-c2c(C1)c1cc(ccc1n2C)[N+]([O-])=O |t:2|
7335 NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1
7336 Brc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
7337 Cc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
7338 Clc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
7339 O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1
7340 [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1
7341 c1c([nH]c2nccnc12)-c1ccccc1
7342 COc1ccccc1-c1cc2nccnc2[nH]1
7343 Oc1ccccc1-c1cc2nccnc2[nH]1
7344 COc1cccc(c1)-c1cc2nccnc2[nH]1
7345 Oc1cccc(c1)-c1cc2nccnc2[nH]1
7346 COc1ccc(cc1)-c1cc2nccnc2[nH]1
7347 Oc1ccc(cc1)-c1cc2nccnc2[nH]1
7348 COc1cc(OC)cc(c1)-c1cc2nccnc2[nH]1
7349 COc1cc(cc(OC)c1OC)-c1cc2nccnc2[nH]1
7350 Fc1ccc(cc1)-c1cc2nccnc2[nH]1
7351 Clc1ccc(cc1)-c1cc2nccnc2[nH]1
7352 Clc1cc(Cl)cc(c1)-c1cc2nccnc2[nH]1
7353 Brc1ccc(cc1)-c1cc2nccnc2[nH]1
7354 FC(F)(F)c1ccc(cc1)-c1cc2nccnc2[nH]1
7355 N#Cc1ccc(cc1)-c1cc2nccnc2[nH]1
7356 Cc1ccc(cc1)-c1cc2nccnc2[nH]1
7357 CN(C)c1ccc(cc1)-c1cc2nccnc2[nH]1
7358 COc1ccc(cc1)-c1[nH]c2nccnc2c1C
7359 COc1ccc(cc1OC)-c1[nH]c2nccnc2c1C
7360 CCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
7361 COc1ccc(cc1)-c1[nH]c2nccnc2c1CCCCl
7362 COc1ccc(cc1)-c1[nH]c2nccnc2c1C(C)C
7363 COc1ccc(cc1)-c1[nH]c2nccnc2c1CC=C
7364 CCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
7365 CCCCCCCc1c([nH]c2nccnc12)-c1ccc(OC)cc1
7366 COc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CC1
7367 COc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CCCCC1
7368 CN(C)S(=O)(=O)Oc1ccc(cc1)-c1[nH]c2nccnc2c1C
7369 Cc1c([nH]c2nccnc12)-c1ccc(Cl)cc1
7370 CC(C)c1c([nH]c2nccnc12)-c1ccc(Cl)cc1
7371 CCCCc1c([nH]c2nccnc12)-c1ccc(Cl)cc1
7372 Clc1ccc(cc1)-c1[nH]c2nccnc2c1Cc1ccccc1
7373 C(c1c([nH]c2nccnc12)-c1ccccc1)c1ccccc1
7374 Clc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CCCCC1
7375 Cc1c([nH]c2nccnc12)-c1ccc(O)cc1
7376 CCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
7377 CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
7378 Oc1ccc(cc1)-c1[nH]c2nccnc2c1CC1CC1
7379 c1coc(c1)-c1cc2nccnc2[nH]1
7380 c1csc(c1)-c1cc2nccnc2[nH]1
7381 c1cc(cs1)-c1cc2nccnc2[nH]1
7382 c1c([nH]c2nccnc12)-c1ccccn1
7383 c1c([nH]c2nccnc12)-c1cccc2ccccc12
7384 c1c([nH]c2nc3ccccc3nc12)-c1ccccc1
7385 Clc1ccc(cc1)C1(CC1)c1cc2nccnc2[nH]1
7386 Cc1c([nH]c2nccnc12)C1(CC1)c1ccc(Cl)cc1
7387 C1COC(O1)c1ccc(cc1)-c1cc2nccnc2[nH]1
7388 Cc1cnc2cc([nH]c2n1)-c1ccccc1
7389 Cn1c(cc2nccnc12)-c1ccccc1
7390 COc1ccc(cc1)-c1cc2cccnc2[nH]1
7391 c1c([nH]c2ccccc12)-c1ccccc1
7392 O=C1Nc2ccccc2\C1=C1\Nc2ccccc2C1=O
7393 O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
7394 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2ccccc12 |w:6.5,4.3|
7395 CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
7396 Brc1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2cc(Br)ccc12
7397 Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2cc(Br)ccc2c1N=O
7398 Brc1ccc2C(=O)\C(Nc2c1)=C1\C(=O)Nc2ccccc12
7399 Brc1ccc2c(N=O)c([nH]c2c1)C1C(=O)Nc2ccccc12
7400 Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
7401 Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
7402 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12 |w:6.5,4.3|
7403 CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
7404 CN1C(=O)\C(=C2/Nc3ccccc3C2=O)c2ccc(Br)cc12
7405 CN1C(=O)C(c2ccc(Br)cc12)c1[nH]c2ccccc2c1N=O
7406 Clc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
7407 Clc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
7408 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)ccc12 |w:6.5,4.3|
7409 Ic1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
7410 Ic1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
7411 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(I)ccc12 |w:6.5,4.3|
7412 C=Cc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
7413 C=Cc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
7414 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(C=C)ccc12 |w:6.5,4.3|
7415 Fc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2C1=O
7416 Fc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
7417 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(F)ccc12 |w:6.5,4.3|
7418 CN1C(=O)\C(=C2/Nc3ccccc3C2=O)c2ccccc12
7419 CN1C(=O)C(c2ccccc12)c1[nH]c2ccccc2c1N=O
7420 Cc1cc2\C(C(=O)Nc2cc1Br)=C1\Nc2ccccc2C1=O
7421 Cc1cc2C(C(=O)Nc2cc1Br)c1[nH]c2ccccc2c1N=O
7422 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)c(C)cc12 |w:6.5,4.3|
7423 Clc1cc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2cc1Cl
7424 Clc1cc2NC(=O)C(c2cc1Cl)c1[nH]c2ccccc2c1N=O
7425 CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Cl)c(Cl)cc12 |w:6.5,4.3|
7426 [O-]c1c([nH]c2ccccc12)[C+]1C(=O)Nc2cc(Br)c(cc12)[N+]([O-])=O
7427 [O-][N+](=O)c1cc2[c-](-c3[nH]c4ccccc4c3N=[OH+])c(=O)[nH]c2cc1Br |(.96,8.59,;2.41,8.07,;3.5,9.15,;2.56,6.53,;1.3,5.64,;1.44,4.11,;.4,2.98,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;-2.04,4.22,;-1.57,5.69,;-2.66,6.77,;1.16,1.63,;.51,.23,;2.67,1.94,;2.84,3.47,;4.1,4.36,;3.96,5.89,;5.21,6.78,)|
7428 CC(=O)[O+]=Nc1c([nH]c2ccccc12)-[c-]1c2cc(c(Br)cc2[nH]c1=O)[N+]([O-])=O |w:4.4,(-3.35,9.35,;-2.26,8.26,;-.77,8.66,;-2.66,6.77,;-1.57,5.69,;-2.04,4.22,;-1.14,2.98,;-2.04,1.73,;-3.51,2.2,;-4.84,1.43,;-6.18,2.2,;-6.18,3.75,;-4.84,4.52,;-3.51,3.75,;.4,2.98,;1.44,4.11,;1.3,5.64,;2.56,6.53,;3.96,5.89,;5.21,6.78,;4.1,4.36,;2.84,3.47,;2.67,1.94,;1.16,1.63,;.51,.23,;2.41,8.07,;.96,8.59,;3.5,9.15,)|
7429 Clc1cccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c12
7430 Cc1cc2C(=O)NCc2c2c3ccccc3n(COCC[Si](C)(C)C)c12
7431 Cc1cc2C(=O)NCc2c2c1[nH]c1ccccc21
7432 CN(C)CCN1C(=N)c2c(cc(C)c3n(COCC[Si](C)(C)C)c4ccccc4c23)C1=O
7433 CN(C)CCN1C(=O)c2cc(C)c3n(COCC[Si](C)(C)C)c4ccccc4c3c2C1=O
7434 O=C1N(Cc2ccccc2)Cc2c1nc(-c1ccccc1)c1[nH]c3ccccc3c21
7435 NCc1nc2C(=O)NCc2c2c3ccccc3[nH]c12
7436 Cc1nc2C(=O)NCc2c2c3ccccc3[nH]c12
7437 CN(C)CCN1Cc2c(nc(C)c3[nH]c4ccccc4c23)C1=O
7438 CN(C)CCn1c2ccccc2c2c3CNC(=O)c3nc(C)c12
7439 CN(C)CC(=O)NCc1nc2C(=O)NCc2c2c3ccccc3[nH]c12
7440 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1nc2C(=O)NCc2c2c3ccccc3[nH]c12
7441 CN1C(=O)c2c(C1=O)c(C#N)c1c3cc(Cl)ccc3n(COCC[Si](C)(C)C)c1c2C
7442 CN1C(=O)c2c(C1=O)c(C#N)c1c3ccccc3n(COCC[Si](C)(C)C)c1c2C
7443 CN1C(=O)c2c(C1=O)c(CN)c1c3ccccc3n(COCC[Si](C)(C)C)c1c2C
7444 Cc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(CN)c2c3ccccc3n(COCC[Si](C)(C)C)c12
7445 CN(C)CC(=O)NCc1c2C(=O)N(C)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12
7446 CN(C)CC(=O)NCc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12
7447 CN(C)CCC(=O)NCc1c2C(=O)N(C)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12
7448 CN(C)CCC(=O)NCc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(C)c2n(COCC[Si](C)(C)C)c3ccccc3c12
7449 CN1C(=O)c2c(C1=O)c(CNC(=O)C[NH+](C)C)c1c3ccccc3[nH]c1c2C
7450 C[NH+](C)CC(=O)NCc1c2C(=O)N(Cc3ccccc3)C(=O)c2c(C)c2[nH]c3ccccc3c12
7451 CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
7452 Cc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
7453 COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
7454 CCOc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
7455 Oc1ccc2oc3ncc(Cl)c(-c4ccccc4)c3c2c1
7456 Oc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1
7457 Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
7463 Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7464 Nc1n[nH]c2nnc(-c3ccc(cc3)-c3ccccc3)c(-c3ccc(cc3)-c3ccccc3)c12
7465 Nc1n[nH]c2nnc(-c3ccc(cc3)N(=O)=O)c(-c3ccc(cc3)N(=O)=O)c12
7466 CC(C)(C)c1ccc(cc1)-c1nnc2[nH]nc(N)c2c1-c1ccc(cc1)C(C)(C)C
7467 Nc1n[nH]c2nnc(-c3ccc(cc3)C(F)(F)F)c(-c3ccc(cc3)C(F)(F)F)c12
7468 COc1ccc(cc1)-c1nnc2[nH]nc(N)c2c1-c1ccc(OC)cc1
7469 Nc1n[nH]c2nnc3c4ccccc4c4ccccc4c3c12
7470 Nc1n[nH]c2nnc(-c3ccco3)c(-c3ccco3)c12
7471 Nc1n[nH]c2nnc(-c3ccccn3)c(-c3ccccn3)c12
7472 Cc1nnc2[nH]nc(N)c2c1C
7473 Cc1nnc2[nH]nc(N)c2c1-c1ccccc1
7474 Nc1n[nH]c2nncc(-c3ccccc3)c12
7475 Nc1n[nH]c2nnc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)c12
7476 Nc1n[nH]c2nnc(cc12)-c1ccccc1
7477 Nc1n[nH]c2nnc(cc12)-c1ccco1
7478 CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
7479 O=c1[nH][nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7480 CCNC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7481 O=C(Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12)Nc1ccccc1
7482 NNc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12
7483 CC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7484 CC(=O)n1nc(N)c2c(-c3ccccc3)c(nnc12)-c1ccccc1
7485 CC(=O)Nc1nn(C(C)=O)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7486 Nc1nn(Cc2ccccc2)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7487 Nc1nn(COCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7488 Nc1nn(CCOCCO)c2nnc(-c3ccccc3)c(-c3ccccc3)c12
7489 CCNC(=O)Nc1n[nH]c2nnc(cc12)-c1ccco1
7490 CCNC(=S)Nc1n[nH]c2nnc(cc12)-c1ccco1
7491 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
7492 Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
7493 [H][C@@]12C[C@@]34C(=O)C(=C)[C@@]5([H])C[C@@]3([H])[C@@]3([H])N1C[C@]1(C)CCC[C@]3([C@]21[H])[C@]4([H])[C@@]5([H])O |TLB:5:4:25.27:11.10,4:3:15:22.23,7:6:25.27:11.10,25:22:15:3.11.2,2:3:22.13:27.10.8,27:25:11:15.1.2,THB:4:3:22.13:27.10.8,23:22:11:15.1.2,23:1:22.25:11,25:3:15:22.23,17:23:15:3.11.2,2:1:22.13:17.16,16:15:22.23:3.11.2,16:15:22.25:11,10:11:15:22.23,10:11:22.25:15.1.2|
7494 OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1
7495 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1 |r|
7496 Brc1ccc2[nH]c-3c(CC(=O)Nc4ncccc-34)c2c1
7497 Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1
7498 CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
7499 CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
7500 CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N(=O)=O)C(=O)c2c(O)cc1O
7501 CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
7502 CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2c(O)cc1O
7503 Nc1nc(Cl)c2ncn(C3CC=CC3)c2n1 |c:11|
7504 CC(C)n1cnc2c(Cl)nc(I)nc12
7505 CN(CC=C)c1nc(I)nc2n(C)cnc12
7506 CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C
7507 CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12
7508 Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
7509 Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1
7510 Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
7511 CN(CC=C)c1nc(NCCO)nc2n(C)cnc12
7512 CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
7513 CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|
7514 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
7515 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
7516 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
7517 CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12
7518 CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7519 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|
7520 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|
7521 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
7522 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|
7523 CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7524 C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
7525 C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
7526 CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|
7527 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
7528 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|
7529 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|
7530 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|
7531 Cc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1
7532 Fc1cc(ccc1N1CCNCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
7534 Nc1n[nH]c2nc3ccccc3nc12
7535 Nc1n[nH]c2nc3ccc(cc3nc12)C(F)(F)F
7536 Cc1cc2nc3[nH]nc(N)c3nc2cc1C
7537 Cc1ccc2nc3[nH]nc(N)c3nc2c1
7538 COc1ccc2nc3[nH]nc(N)c3nc2c1
7539 Nc1n[nH]c2nc3ccc(Cl)cc3nc12
7540 Clc1n[nH]c2nc3ccccc3nc12
7541 Clc1n[nH]c2nc3ccc(Cl)cc3nc12
7542 CN(C)CCCn1nc(N)c2nc3ccccc3nc12
7543 CN(C)CCCn1nc(N)c2nc3cc(Cl)ccc3nc12
7544 CN(C)CCCn1nc(N)c2nc3cc(C)c(C)cc3nc12
7545 CN(C)CCn1nc(N)c2nc3ccccc3nc12
7546 CN(C)CCn1nc(N)c2nc3cc(Cl)ccc3nc12
7547 CCN(CC)CCn1nc(N)c2nc3ccccc3nc12
7548 CCN(CC)CCn1nc(N)c2nc3cc(Cl)ccc3nc12
7549 CCN(CC)CCn1nc(N)c2nc3cc(C)c(C)cc3nc12
7550 Nc1nn(C(=O)c2ccncc2)c2nc3ccccc3nc12
7551 CCn1c(Oc2cccc(Br)c2)nc2n(C)c(=O)n(C)c(=O)c12
7552 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCCC1=O |r|
7553 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1
7554 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCO
7555 CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7556 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO
7557 CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7558 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCC1
7559 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1
7560 CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCO
7561 CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCCO)nc12
7562 CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7563 CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCO)nc12
7564 CCC(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7565 CC(C)n1cnc2c(NCc3ccccc3)nc(CCC(C)(O)c3ccccc3)nc12
7566 CC(C)n1cnc2c(NCc3ccccc3)nc(CCCO)nc12
7567 CC(C)n1cnc2c(NCc3ccccc3)nc(\C=C/CCCO)nc12
7568 Oc1ccccc1\C=C\C=O
7569 Oc1cccc(\C=C\C=O)c1
7570 O=C\C=C\c1ccccc1OCc1ccccc1
7571 Cc1ccccc1COc1ccccc1\C=C\C=O
7572 COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)c2ccccc12
7573 CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
7574 CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
7575 CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
7576 CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
7577 CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1
7578 CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1
7579 CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1
7580 CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
7581 CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
7582 CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
7583 CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
7584 CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
7585 CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
7586 O=C\C=C\c1cccc(OCc2ccccc2)c1
7587 Cc1ccccc1COc1cccc(\C=C\C=O)c1
7588 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1
7589 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
7590 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3C)ncn2)cc1
7591 CC(C)c1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
7592 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3F)ncn2)cc1
7593 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3Cl)ncn2)cc1
7594 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3Br)ncn2)cc1
7595 COc1ccccc1Nc1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1
7596 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3N(=O)=O)ncn2)cc1
7597 CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1
7598 CN(C)CC(O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1
7599 CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(ccc3F)C(F)(F)F)ncn2)cc1
7600 CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
7601 CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
7602 CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
7603 CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(Cc2ccccc2)c2cc(Cl)ccc2Cl)cc1
7604 CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1
7605 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
7606 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1
7607 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
7608 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1
7609 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1
7610 COc1ccccc1Nc1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1
7611 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1
7612 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1
7613 COc1ccc(Nc2ccnc(Nc3ccc(OCC(O)CN(C)C)cc3)n2)cc1
7614 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(C)cc3)n2)cc1
7615 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1
7616 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3F)n2)cc1
7617 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3Cl)n2)cc1
7618 CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(ccc3F)C(F)(F)F)n2)cc1
7619 CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
7620 CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
7621 CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
7622 CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(Cc2ccccc2)c2cc(Cl)ccc2Cl)cc1
7623 CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CCCC(F)(F)F)c2cc(Cl)ccc2Cl)cc1
7624 CN(C)CC(O)COc1ccc(Nc2ncc(C)c(Nc3ccccc3)n2)cc1
7625 CN(C)CC(O)COc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
7626 CN(C)CC(O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1
7627 CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
7628 CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(n2)N(CCCC(F)(F)F)c2ccccc2)cc1
7629 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCCC1 |r|
7630 S=C(N1CCOCC1)c1ccc(cc1)-c1ccccc1
7631 CCN(CC)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
7632 Cc1cc(ccc1N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O)N1CCOCC1 |r|
7633 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(Cl)c1 |r|
7634 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(Cl)c1)S(=O)(=O)N1CCOCC1 |r|
7635 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1
7636 COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1
7637 CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(C)cc3)ncn2)cc1
7638 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(Cl)c1)S(=O)(=O)N1CCC1 |r|
7639 CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3F)ncn2)cc1
7640 CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3Cl)ncn2)cc1
7641 Cc1nc2ccccn2c1-c1ccnc(N)n1
7642 CC(=O)Nc1nccc(n1)-c1c(C)nc2ccccn12
7643 Cc1nc2ccccn2c1-c1ccnc(NC(=O)C(F)(F)F)n1
7644 Cc1nc2ccccn2c1-c1ccnc(NC(=O)Nc2ccccc2)n1
7645 Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2)n1
7646 CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
7647 Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
7648 CN(C)S(=O)(=O)c1ccc(cc1Cl)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
7649 Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
7650 O=C(NCC1CN(C(=O)O1)c1ccc(cc1)N1CCCC1=O)c1cccs1
7651 Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2Cl)n1
7652 Cc1nc2ccccn2c1-c1ccnc(Nc2cccc(Cl)c2)n1
7653 Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(Cl)cc2)n1
7654 Cc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccc(cc1)N1CCCC1=O
7655 N(c1ccccc1)c1nccc(n1)-c1cnc2ccccn12
7656 Clc1cccc(Nc2nccc(n2)-c2cnc3ccccn23)c1
7657 NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7658 CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7659 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7660 COCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7661 CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7662 CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7663 CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
7664 COCCNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cc1
7665 COCCNS(=O)(=O)c1ccc(Nc2ncc(Br)c(n2)-c2cnc3ccccn23)cc1
7666 COCCNS(=O)(=O)c1ccc(Nc2ncc(Sc3ccccc3)c(n2)-c2cnc3ccccn23)cc1
7667 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Br)cn23)cc1
7668 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(cn23)C#N)cc1
7669 CCSc1ccc2ncc(-c3ccnc(Nc4ccc(cc4)S(=O)(=O)NCCOC)n3)n2c1
7670 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Sc4ccccc4)cn23)cc1
7671 NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
7672 CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
7673 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
7674 CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
7675 CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
7676 COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
7677 N(c1ccccc1)c1nccc(n1)-c1cnc2cccnn12
7678 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(OC)nn23)cc1
7679 COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc3cccnn23)cc1
7680 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|
7681 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc23)cc1 |w:9.8|
7682 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
7683 CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12 |w:2.2|
7684 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1 |w:9.8|
7685 CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12 |w:2.2|
7686 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8|
7687 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12|
7688 CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2|
7689 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(I)c23)cc1 |w:9.8|
7690 CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:11.11|
7691 CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
7692 CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
7693 [#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13|
7694 CCOc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
7695 CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
7696 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(Oc4ccccc4)c23)cc1 |w:9.8|
7697 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccncc4)c23)cc1 |w:9.8|
7698 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:9.8,19.18|
7699 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccc(O)cc4)c23)cc1 |w:9.8|
7700 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(-c4cc[nH]n4)c23)cc1 |w:9.8|
7701 CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12 |w:14.13|
7702 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12 |w:11.12|
7703 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(c23)N(=O)=O)cc1 |w:9.8|
7704 NC(=O)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
7705 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(F)cc23)cc1 |w:9.8|
7706 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1 |w:9.8|
7707 Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
7708 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1 |w:9.8|
7709 COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:10.10|
7710 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)N(=O)=O)cc1 |w:9.8|
7711 Nc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
7712 CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.10|
7713 CS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.12|
7714 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 |w:9.8|
7715 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1 |w:9.8|
7716 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O |w:11.12|
7717 COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11|
7718 CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.14|
7719 CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13|
7720 NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.11|
7721 CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:13.13|
7722 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1 |w:9.8|
7723 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1 |w:9.8|
7724 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1 |w:9.8|
7725 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8|
7726 CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:17.17|
7727 COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23|
7728 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Br)ccc23)cc1 |w:9.8|
7729 CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7|
7730 CC(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:8.8|
7731 CC(C)(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:9.9|
7732 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12 |w:11.12|
7733 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Oc4ccccc4)ccc23)cc1 |w:9.8|
7734 Cc1cccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:7.7|
7735 Cc1cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 |w:5.5|
7736 Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:8.8|
7737 Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:9.9|
7738 COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:10.10|
7739 Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1N(=O)=O |w:4.4|
7740 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O |w:11.12|
7741 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12|
7742 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O |w:11.12|
7743 NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8|
7744 NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
7745 NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
7746 NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
7747 CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
7748 CN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
7749 OCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
7750 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCCc1cnc[nH]1 |w:13.15|
7751 OCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:17.18|
7752 COCCOCCOCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:24.25|
7753 COCCOCCOCCOCCN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:25.26|
7754 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1 |w:13.15|
7755 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:13.15|
7756 CN(c1ccccn1)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:18.20|
7757 Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:19.21|
7758 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1 |w:13.15|
7759 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NN1Cc2ccccc2C=C1 |w:13.15,c:38|
7760 NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
7761 CC(=O)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
7762 CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:12.13|
7763 CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:16.17|
7764 O=C1Nc2ccccc2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:10.11|
7765 NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15|
7766 CS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
7767 NS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
7768 CNS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
7769 CNS(=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:11.10|
7770 OCCNS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:15.16|
7771 CS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
7772 O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc2CS(=O)(=O)Cc2c1 |w:13.15|
7773 O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1 |w:10.11|
7774 CCn1c(=O)sn(C)c1=O
7775 CCn1sc(=O)n(CC)c1=O
7776 CCCn1sc(=O)n(CC)c1=O
7777 CCn1c(=O)sn(C(C)C)c1=O
7778 CCn1c(=O)sn(C2CCCCC2)c1=O
7779 CCCCn1c(=O)sn(CC)c1=O
7780 Cn1sc(=O)n(C2CCCCC2)c1=O
7781 Cn1sc(=O)n(Cc2ccccc2)c1=O
7782 CCn1sc(=O)n(Cc2ccccc2)c1=O
7783 O=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1
7784 Cn1sc(=O)n(-c2ccccc2)c1=O
7785 Cn1sc(=O)n(-c2ccc(Br)cc2)c1=O
7786 Cn1sc(=O)n(-c2cccc(Br)c2)c1=O
7787 Cn1sc(=O)n(-c2ccccc2Br)c1=O |(-2.2,-2.25,;-1.3,-1,;.25,-1,;.72,.46,;2.05,1.23,;-.52,1.37,;-.52,2.91,;-1.86,3.68,;-1.86,5.22,;-.52,5.99,;.81,5.22,;.81,3.68,;2.14,2.91,;-1.77,.46,;-3.24,.94,)|
7788 Cn1sc(=O)n(-c2ccc(Cl)cc2)c1=O
7789 Cn1sc(=O)n(-c2ccc(F)cc2)c1=O
7790 Cn1sc(=O)n(-c2ccc(cc2)C(F)(F)F)c1=O
7791 Cc1ccc(cc1)-n1c(=O)sn(C)c1=O
7792 COc1ccc(cc1)-n1c(=O)sn(C)c1=O
7793 Cn1sc(=O)n(-c2cccc3ccccc23)c1=O |(-2.2,-2.25,;-1.3,-1,;.25,-1,;.72,.46,;2.05,1.23,;-.52,1.37,;-.52,2.91,;-1.86,3.68,;-1.86,5.22,;-.52,5.99,;.75,5.22,;2.08,5.99,;3.42,5.22,;3.42,3.68,;2.08,2.91,;.75,3.68,;-1.77,.46,;-3.24,.94,)|
7794 CCn1sc(=O)n(CC)c1=S
7795 O=c1sn(-c2ccccc2)c(=S)n1-c1ccccc1
7796 O=c1sn(Cc2ccccc2)c(=S)n1Cc1ccccc1
7797 CCn1sc(=O)n(Cc2ccccc2)c1=S
7798 CCn1c(=S)n(C)s\c1=N/c1cccnc1
7799 CCNC(=O)\N=c1/sn(CC)c(=O)n1-c1ccccc1
7800 CCn1sc(=N)n(-c2ccccc2)c1=O
7801 CCOC(=O)\N=c1/sn(C(=O)OCC)c(=S)n1-c1ccccc1
7802 O=C1NC(=O)C=C1 |c:5|
7803 CN1C(=O)C=CC1=O |c:4|
7804 O=C1C=CC(=O)N1Cc1ccccc1 |c:2|
7805 CCOC(=O)CN1C(=O)C=CC1=O |c:9|
7806 COc1ccc(CN2C(=O)C=CC2=O)cc1 |c:10|
7807 O=C1C=CC(=O)N1CCc1ccccc1 |c:2|
7808 COc1ccc(CCN2C(=O)C=CC2=O)cc1 |c:11|
7809 O=C1C=CC(=O)N1CCCc1ccccc1 |c:2|
7810 O=C1C=CC(=O)N1CCCCCc1ccccc1 |c:2|
7811 O=C1CC(=O)C=C1 |c:5|
7812 O=C1OC(=O)C=C1 |c:5|
7813 O=C1CCC(=O)C1
7814 O=C1CCC(=O)N1
7815 O=C1CCC(=O)N1Cc1ccccc1
7816 O=C1CCCN1Cc1ccccc1
7817 C(N1CC=CC1)c1ccccc1 |c:3|
7818 Oc1csc(S)n1
7819 Cn1c(O)csc1=S
7820 OC(=O)Cn1c(O)csc1=S
7821 Nn1c(O)csc1=S
7822 Oc1csc(=O)[nH]1
7823 Oc1csc(=S)n1Cc1ccccc1
7824 Oc1csc(=S)n1CCc1ccccc1
7825 Oc1csc(=S)n1CC(=O)c1ccccc1
7826 Oc1csc(=O)n1Cc1ccccc1
7827 COc1ccc(Cn2c(O)csc2=S)cc1
7828 COc1ccc(CCn2c(O)csc2=S)cc1
7829 Cn1c(=O)ssc1=O
7830 O=c1ssc(=O)n1-c1ccccc1
7831 O=c1ssc(=O)n1Cc1ccccc1
7832 O=c1[nH][nH]c(=O)n1-c1ccccc1
7833 Cn1n(C)c(=O)n(-c2ccccc2)c1=O
7834 O=C(c1ccccc1)n1n(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O
7835 O=C(Cn1n(CC(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O)c1ccccc1
7836 O=C1N=NC(=O)N1c1ccccc1 |c:2|
7837 Oc1c[nH]c(=O)[nH]1
7838 Oc1c[nH]c(=O)n1Cc1ccccc1
7839 Brc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccc(cc1)N1CCCC1=O
7840 Clc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
7841 Cc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
7842 Brc1ccc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
7843 Clc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccccc1
7845 CC(=O)N(C1CC1)c1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7846 Fc1cc(ccc1N1CCS(=O)CC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
7847 Fc1cc(ccc1N1CCS(=O)(=O)CC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
7848 CCn1sc(=O)n(-c2ccc(cc2)N(=O)=O)c1=O
7849 CNc1ccc(cc1F)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7850 Nc1ccc(cc1F)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7851 CCn1sc(=O)n(-c2ccccc2)c1=O
7852 CCOC(=O)Cn1c(=O)sn(C)c1=O
7853 ClCC(=O)c1cc(Cl)c(Cl)s1
7854 ClCC(=O)c1cc(Br)cs1
7855 ClCC(=O)c1cscc1Cl
7856 ClCC(=O)c1c(Br)sc(Br)c1Br
7857 ClCC(=O)c1c(Cl)c(Cl)sc1Br
7858 ClCC(=O)c1cccs1
7859 ClCC(=O)c1csc(c1)C(=O)CCl
7860 Cc1ccc(s1)C(=O)CCl
7861 Cc1sc(cc1C(=O)CCl)C(=O)CCl
7862 Cc1cc(C(=O)CCl)c(C)s1
7863 Cc1ccsc1C(=O)CCl
7864 Cc1csc(c1)C(=O)CCl
7865 Cc1c(csc1C(=O)CCl)C(=O)CCl
7866 ClCC(=O)c1ccc(Cl)s1
7867 ClCC(=O)c1ccc(Br)s1
7868 ClCC(=O)c1scc(Br)c1Br
7869 ClCC(=O)c1cc(Br)c(Br)s1
7870 ClCC(=O)c1cc(Cl)sc1Cl
7871 CC(=O)c1ccc(s1)C(=O)CCl
7872 CC(=O)c1csc(c1)C(=O)CCl
7873 ClCC(=O)c1ccccc1
7874 ClCC(=O)c1ccc(Cl)cc1
7875 BrCC(=O)c1ccccc1
7876 BrCC(=O)c1ccc(Br)cc1
7877 Clc1ccc(cc1)C(=O)CBr
7878 Cc1ccc(cc1)C(=O)CBr
7879 COc1ccc(cc1)C(=O)CBr
7880 BrCC(=O)c1ccc(cc1)-c1ccccc1
7881 BrCC(=O)c1ccc(cc1)N(=O)=O
7882 c1c[nH]cn1
7883 Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCC(N)=O)ccc12 |r|
7884 Cn1ccnc1
7885 Cc1nccn1Cc1ccccc1
7886 c1cn(cn1)-c1ccccc1
7887 C(c1ccccc1)n1ccnc1
7888 Cc1ccc(OCCCn2ccnc2)cc1
7889 Clc1ccc(NC(=S)NCCCn2ccnc2)cc1
7890 Oc1c[nH]c(=S)n1CCCn1ccnc1
7891 CNC(=S)NCCCn1ccnc1
7892 CCCCNC(=S)NCCCn1ccnc1
7893 CC(C)(C)NC(=S)NCCCn1ccnc1
7894 CC(C)NC(=S)NCCCn1ccnc1
7895 S=C(NCCCn1ccnc1)NC1CC2CC1C=C2 |c:19,THB:11:12:15:18.17|
7896 S=C(NCCCn1ccnc1)NC1CCCCC1
7897 S=C(NCCCn1ccnc1)NCc1ccccc1
7898 S=C(NCCCn1ccnc1)Nc1ccccc1
7899 S=C(NCCCn1ccnc1)Nc1cccc2ccccc12
7900 Cc1ccc(NC(=S)NCCCn2ccnc2)cc1
7901 CCc1ccc(NC(=S)NCCCn2ccnc2)cc1
7902 Fc1ccc(NC(=S)NCCCn2ccnc2)cc1
7903 CN(C)c1ccc(NC(=S)NCCCn2ccnc2)cc1
7904 O=N(=O)c1ccc(NC(=S)NCCCn2ccnc2)cc1
7905 CC(=O)c1ccc(NC(=S)NCCCn2ccnc2)cc1
7906 CSc1ccc(NC(=S)NCCCn2ccnc2)cc1
7907 S=C(NCCCn1ccnc1)Nc1ccc(OCc2ccccc2)cc1
7908 CCOc1ccc(NC(=S)NCCCn2ccnc2)cc1
7909 COc1ccc(NC(=S)NCCCn2ccnc2)cc1
7910 S=C(NCCCn1ccnc1)Nc1ccc2OCOc2c1
7911 COc1cccc(NC(=S)NCCCn2ccnc2)c1
7912 COc1ccc(CNC(=S)NCCCn2ccnc2)cc1OC
7913 S=C(NCCCn1ccnc1)Nc1ccc2OCCOc2c1
7914 COc1cc(NC(=S)NCCCn2ccnc2)cc(OC)c1
7915 COc1ccc(NC(=S)NCCCn2ccnc2)c(OC)c1
7916 COc1ccc(NC(=O)NCCCn2ccnc2)cc1OC
7917 COc1cc(NC(=S)NCCCn2ccnc2)cc(OC)c1OC
7918 COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC
7919 COc1ccc(NC(=S)NCCn2ccnc2)cc1OC
7920 COc1ccc(NC(=S)NCCCCn2ccnc2)cc1OC
7921 COc1ccc(NC(=S)NC[C@@H](C)Cn2ccnc2)cc1OC |r|
7922 COc1ccc(NC(=S)NC[C@H](C)Cn2ccnc2)cc1OC |r|
7923 COc1ccc(NC(=S)NCC2(Cn3ccnc3)CC2)cc1OC
7924 COc1ccc(NC(=S)N(C)CCCn2ccnc2)cc1OC
7925 C(CNc1nc2ccccc2s1)Cn1ccnc1
7926 Clc1ccc2nc(NCCCn3ccnc3)sc2c1
7927 COc1ccc2nc(NCCCn3ccnc3)sc2c1
7928 COc1cc2nc(NCCCn3ccnc3)sc2cc1OC
7929 COc1ccc(CC(=S)NCCCn2ccnc2)cc1OC
7930 C[C@@H](C(=S)NCCCn1ccnc1)c1ccccc1 |r|
7931 C[C@H](C(=S)NCCCn1ccnc1)c1ccccc1 |r|
7932 S=C(NCCCn1ccnc1)C(c1ccccc1)c1ccccc1
7933 COc1ccc(cc1)C1(CC1)C(=S)NCCCn1ccnc1
7934 Clc1ccc(cc1)C1(CCC1)C(=S)NCCCn1ccnc1
7935 Clc1ccc(cc1)C1(CCCC1)C(=S)NCCCn1ccnc1
7936 COc1ccc(cc1)C1(CCCCC1)C(=S)NCCCn1ccnc1
7937 COc1ccc(cc1OC)C1(CC1)C(=S)NCCCn1ccnc1
7938 COc1ccc(NC(=S)CCCCn2ccnc2)cc1OC
7939 c1nc2ccccc2[nH]1
7940 NCC(=O)Nc1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7941 NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
7942 C=Cn1ccnc1
7943 CC(=O)NCc1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7944 CC(=O)n1ccnc1
7945 C[Si](C)(C)n1ccnc1
7946 O=C(c1ccccc1)n1ccnc1
7947 O=C(Cn1ccnc1)c1ccccc1
7948 NCCCn1ccnc1
7949 CC(=O)NCCc1cnc[nH]1
7950 N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
7951 NC(Cc1cnc[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
7952 N[C@H](CO)Cc1cnc[nH]1 |r|
7953 N[C@@H](Cc1cnc[nH]1)C(O)=O |r|
7954 O=Cc1cnc[nH]1
7955 COC(=O)c1cnc[nH]1
7956 Cc1nc[nH]c1CO
7957 NC(=O)c1[nH]cnc1N
7958 NC(=O)NCc1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7959 CCc1ncc(C)[nH]1
7960 Nc1nc2ccccc2[nH]1
7961 C(CCCn1ccnc1)CCOc1ccccc1
7962 OC(=O)c1ccc(OCCn2ccnc2)cc1
7963 Clc1ccc(NC(=S)NCCn2ccnc2)cc1
7964 CC(=O)Nc1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
7965 Cc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1
7966 NCCc1cnc[nH]1
7967 Cn1cncc1CCN
7968 NCCS
7969 CN(C)CCS
7970 CCN(CC)CCS
7971 OCCS
7972 NCCN
7973 NCCO
7974 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
7975 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
7976 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
7977 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
7978 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCCCc1ccccc1 |r|
7979 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCC1CCCCC1 |r|
7980 COCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C |r|
7981 COc1cccc(CCNC(=O)C[C@H](O)[C@H](COCc2ccc(Br)cc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)c1 |r|
7982 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCCNc1ccccc1 |r|
7983 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NC1CCCCC1 |r|
7984 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCc1ccc(cc1)C#N |r|
7985 CCCCNC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C |r|
7986 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
7987 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1ccc(Cl)c(Cl)c1)C(N)=O |r|
7988 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O |r|
7989 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)C(c1ccccc1)c1ccccc1)C(N)=O |r|
7990 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)CC(c1ccccc1)c1ccccc1)C(N)=O |r|
7991 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)Cc1cccs1)C(N)=O |r|
7992 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)c1ccc2OCOc2c1)C(N)=O |r|
7993 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H]1Cc2ccccc2N1)C(N)=O |r|
7994 COc1cccc(CCNC(=O)C[C@H](O)[C@H](COCc2ccc(Br)cc2)NC(=O)c2c(F)cc(F)cc2F)c1 |r|
7995 O[C@@H](CC(=O)NC1CCCCC1)[C@H](COCc1ccc(Br)cc1)NC(=O)c1c(F)cc(F)cc1F |r|
7996 CNC(=O)[C@@H](NC(=O)[C@H](OCC=C)[C@H](O)[C@@H](O)[C@@H](OCC=C)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
7997 Clc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccc(NC(=O)c2cccs2)cc1
7998 O[C@H]([C@@H](O)[C@@H](OCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
7999 O[C@H]([C@@H](O)[C@@H](OCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](CN[C@@H]1[C@H](O)Cc2ccccc12)OCC=C |r|
8000 COCC(=O)Nc1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
8001 O[C@H]([C@@H](O)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\Br)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8002 O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8003 O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8004 Cc1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(C)cc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
8005 CC(=O)c1ccc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2ccc(cc2)C(C)=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
8006 COc1ncc(\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c2cnc(OC)nc2OC)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(OC)n1 |r|
8007 O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccc2OCOc2c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8008 O[C@H]([C@@H](O)[C@@H](OC\C=C\c1ccsc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\c1ccsc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8009 Cc1noc(C)c1\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\c1c(C)noc1C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8010 O[C@H]([C@@H](O)[C@@H](OC\C=C\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\C=C\c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8011 COC(=O)\C=C\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\C=C\C(=O)OC)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8012 O[C@H]([C@@H](O)[C@@H](OC\C=C\C#Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\C#Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8013 C[Si](C)(C)C#C\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\C#C[Si](C)(C)C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8014 O[C@H]([C@@H](O)[C@@H](OC\C=C\C#C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OC\C=C\C#C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
8015 CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8016 CC(C)C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccn1)C(N)=O |r|
8017 Cc1noc(C)c1C(=O)NCC1CN(C(=O)O1)c1ccc(CNC(=O)c2ccc(Cl)s2)cc1
8018 CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)CC |r|
8019 COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r|
8020 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](C)C(N)=O |r|
8021 CC(C)C[C@H](NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
8022 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](C(N)=O)c1ccccc1 |r|
8023 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(N)=O |r|
8024 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@H](Cc1ccccc1)C(N)=O |r|
8025 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8026 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8027 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc(C)cc1)C(N)=O |r|
8028 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(N)c1)C(N)=O |r|
8029 COc1ccccc1-c1ccc(C[C@H](NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C(N)=O)cc1 |r|
8030 COc1ccccc1-c1cccc(C[C@H](NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccccn2)C(C)C)C(N)=O)c1 |r|
8031 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(OS(=O)(=O)C(F)(F)F)c1)C(N)=O |r|
8032 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(c1)-c1ccc(C)cc1)C(N)=O |r|
8033 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(c1)-c1ccccc1)C(N)=O |r|
8034 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1cccc(c1)-c1cccc(N)c1)C(N)=O |r|
8035 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)Cn1c(Cc2ccc(Br)cc2)c(O)[nH]c1=O |r|
8036 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)Cn1c(Cc2ccc(cc2)-c2ccccc2)c(O)[nH]c1=O |r|
8037 Cc1nc(C)c(s1)-c1ccnc(N)n1
8038 CNc1nccc(n1)-c1sc(C)nc1C
8039 CN(C)c1nccc(n1)-c1sc(C)nc1C
8040 Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2)n1
8041 Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2Cl)n1
8042 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(Cl)c2)n1
8043 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1
8044 Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2F)n1
8045 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(F)c2)n1
8046 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(F)cc2)n1
8047 Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2C(F)(F)F)n1
8048 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8049 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
8050 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
8051 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
8052 CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
8053 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
8054 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
8055 Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
8056 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8057 CN(c1cccc(c1)N(=O)=O)c1nccc(n1)-c1sc(C)nc1C
8058 CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8059 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8060 Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8061 Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8062 Cc1nc(sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1)-c1ccccn1
8063 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N(=O)=O)n1
8064 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(N)c2)n1
8065 Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C#N)n1
8066 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
8067 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1N(=O)=O
8068 CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
8069 CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
8070 Cc1c[nH]c(C)c1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8071 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
8072 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
8073 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(O)cc2)n1
8074 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1
8075 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(O)c2)n1
8076 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)c(C)c2)n1
8077 Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
8078 Cc1[nH]c(C(N)=O)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
8079 Cc1[nH]c(c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1)N(=O)=O
8080 Cc1[nH]c(Cl)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
8081 Cc1[nH]c(Br)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
8082 CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8083 CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8084 CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8085 CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8086 CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8087 CC(C)[C@H](NC(=O)C=Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r,w:7.6|
8088 CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8089 COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(Br)cc2)C(N)=O)c1OC |r|
8090 CC(C)[C@H](NC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(Br)cc1)C(N)=O |r|
8091 CCOc1cccc(NC(=O)\C=C\C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(Br)cc2)C(N)=O)c1 |r|
8092 CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8093 CC(C)[C@H](NC(=O)c1cnc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8094 CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8095 CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8096 CC(C)[C@H](NC(=O)C=Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r,w:7.6|
8097 CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8098 COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2ccccc2)C(N)=O)c1OC |r|
8099 CC(C)[C@H](NC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O |r|
8100 COc1ncc(-c2ccc(C[C@H](NC[C@H](O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)C(N)=O)cc2)c(OC)n1 |r|
8101 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r|
8102 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r|
8103 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc2c3ccccc3sc12)C(N)=O |r|
8104 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)C(N)=O |r|
8105 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cccc(\C=C\C(O)=O)c1)C(N)=O |r|
8106 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1N)C(N)=O |r|
8107 CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)C1CCCC1)C(N)=O |r|
8108 CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r|
8109 CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1ccc2OCOc2c1)C(N)=O |r|
8110 CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r|
8111 CC(C)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r|
8112 CC(C)[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r|
8113 CCCc1c(cnn1-c1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r|
8114 CC(C)[C@H](NC(=O)c1cc(C)oc1C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccc(cc1)-c1cc2ccccc2o1)C(N)=O |r|
8115 COc1cccc(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](Cc2ccc(cc2)-c2cc3ccccc3o2)C(N)=O)c1OC |r|
8116 CC(C)CCS(=O)(=O)[C@@H](C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)CCS(C)(=O)=O |r|
8117 CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 |r|
8118 CC(C)C[C@H](C[C@H](O)[C@@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 |r|
8119 O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)COc1ccc(Cl)cc1Cl |r|
8120 COc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 |r|
8121 O[C@H](C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1 |r|
8122 O[C@@H](C[C@@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@@H](Cc1cccc(Br)c1)NC(=O)[C@H]1CCCO1 |r|
8123 CNc1ccc(cc1)S(=O)(=O)[C@@H](CC(C)C)C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C |r|
8124 CC(C)C[C@@H](C[C@@H](O)[C@H](Cc1cccc(Br)c1)NC(=O)COc1c(C)cccc1C)S(=O)(=O)c1ccc(cc1)N(C)C |r|
8125 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
8126 N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
8127 CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
8128 COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
8129 N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
8130 O=N(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
8131 CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
8132 CCC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
8133 CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
8134 COc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1OC
8135 C1Oc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2O1
8136 C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
8137 Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F
8138 C1COc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2OC1
8139 Clc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1Cl
8140 FC(F)(F)c1cc(Nc2nccc(n2)-c2cnn3ncccc23)ccc1Cl
8141 COC1CC(OC)=CC(C1)=Nc1nccc(n1)-c1cnn2ncccc12 |w:10.11,c:6|
8142 COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(c1)C(F)(F)F
8143 FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
8144 Fc1cc(F)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
8145 Clc1cc(Cl)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
8146 Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
8147 FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3[nH]c(=O)ccc23)c1
8148 COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8149 CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8150 CCCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8151 COc1cccc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)c1
8152 COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1
8153 COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C#N)n1
8154 COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N(=O)=O)n1
8155 COc1cc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)cc(OC)c1
8156 COc1cc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)cc(c1)C(F)(F)F
8157 CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cc(OC)cc(c2)C(F)(F)F)n1
8158 COc1ccc2c(cnn2n1)-c1ccnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1
8159 COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
8160 Cc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8161 Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
8162 COc1cc(Nc2nccc(n2)-c2cnn3nc(C)ccc23)cc(c1)C(F)(F)F
8163 Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
8164 FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccccc2)c1
8165 C1COc2cc(Nc3nccc(n3)-c3cnn4nc(ccc34)-c3ccccc3)ccc2O1
8166 N(c1ccccc1)c1nccc(n1)-c1c(nn2ncccc12)-c1ccccc1
8167 FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1
8168 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)cc1F
8169 Fc1cc(F)cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1
8170 FC(F)(F)c1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)ccc1Cl
8171 C1COc2cc(Nc3nccc(n3)-c3c(nn4ncccc34)-c3ccccc3)ccc2O1
8172 Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8173 Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8174 Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1
8175 Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8176 Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
8177 COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8178 COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8179 COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1
8180 COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8181 COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
8182 FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8183 FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8184 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(cc2)C(F)(F)F)cc1F
8185 FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
8186 FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8187 FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8188 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2cccc(c2)C(F)(F)F)cc1F
8189 FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
8190 FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8191 Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8192 FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)c1
8193 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)cc1F
8194 FC(F)(F)c1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)ccc1Cl
8195 Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
8196 Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
8197 Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8198 Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc(F)c(F)c2)n1
8199 Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8200 Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
8201 Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccccc2)n1
8202 Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc(F)c(F)c2)n1
8203 Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8204 Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1
8205 Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccccc2)n1
8206 Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1
8207 Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccccc2)n1
8208 Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
8209 Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc(F)c(F)c2)n1
8210 Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
8211 Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
8212 C1CC1c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8213 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CC2)cc1F
8214 C1CCC(CC1)c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
8215 Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CCCCC2)cc1F
8216 COCCOc1cnn2ncc(-c3ccnc(Nc4cccc(OC)c4)n3)c2c1
8217 Cc1ccccc1Nc1nccc(n1)-c1cnn2ncccc12
8218 O=C1NC(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:5|
8219 Clc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O |c:8|
8220 COc1ccccc1C1=C(Nc2ccccc2)C(=O)NC1=O |c:9|
8221 O=C1NC(=O)C(=C1Nc1ccccc1)c1cccc(c1)N(=O)=O |c:5|
8222 Clc1ccc(cc1)C1=C(Nc2ccccc2)C(=O)NC1=O |c:8|
8223 COc1ccc(cc1)C1=C(Nc2ccccc2)C(=O)NC1=O |c:9|
8224 Clc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2)c1 |t:7|
8225 Clc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:7|
8226 COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|
8227 Clc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)c1 |t:7|
8228 COc1cccc(c1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|
8229 Clc1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)c1 |t:7|
8230 Clc1ccc(cc1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:8|
8231 COc1ccc(cc1)C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|
8232 Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2)c1 |t:7|
8233 Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:7|
8234 COc1ccccc1C1=C(Nc2cccc(O)c2)C(=O)NC1=O |c:9|
8235 Oc1cccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)c1 |t:7|
8236 Oc1cccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)c1 |t:7|
8237 COc1cccc(c1)C1=C(Nc2cccc(O)c2)C(=O)NC1=O |c:9|
8238 Oc1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)c1 |t:7|
8239 Oc1cccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)c1 |t:7|
8240 COc1ccc(cc1)C1=C(Nc2cccc(O)c2)C(=O)NC1=O |c:9|
8241 Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1 |t:6|
8242 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1 |t:6|
8243 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl |t:6|
8244 COc1ccccc1C1=C(Nc2ccc(O)c(Cl)c2)C(=O)NC1=O |c:9|
8245 ClCCCS(=O)(=O)Nc1ccc(cc1)N1CC(CNC(=O)c2ccc(Cl)s2)OC1=O
8246 Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:6|
8247 Oc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl |t:6|
8248 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1Cl |t:6|
8249 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2)cc1Cl |t:7|
8250 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1Cl |t:7|
8251 COc1ccccc1C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9|
8252 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl |t:7|
8253 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1Cl |t:7|
8254 COc1cccc(c1)C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9|
8255 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1Cl |t:7|
8256 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1Cl |t:7|
8257 COc1ccc(cc1)C1=C(Nc2cc(Cl)c(O)c(Cl)c2)C(=O)NC1=O |c:9|
8258 Oc1c(Cl)cc(NC2=C(C(=O)NC2=O)c2ccc(cc2)N(=O)=O)cc1Cl |t:7|
8259 OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2ccccc2)c1 |t:9|
8260 OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)c1 |t:9|
8261 OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)c1 |t:9|
8262 COc1cccc(c1)C1=C(Nc2cccc(c2)C(O)=O)C(=O)NC1=O |c:9|
8263 OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)c1 |t:9|
8264 OC(=O)c1cccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)c1 |t:9|
8265 COc1ccc(cc1)C1=C(Nc2cccc(c2)C(O)=O)C(=O)NC1=O |c:9|
8266 OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2)ccc1Cl |t:7|
8267 OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)ccc1Cl |t:7|
8268 OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)ccc1Cl |t:7|
8269 OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)ccc1Cl |t:7|
8270 COc1cccc(c1)C1=C(Nc2ccc(Cl)c(c2)C(O)=O)C(=O)NC1=O |c:9|
8271 OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)ccc1Cl |t:7|
8272 OC(=O)c1cc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)ccc1Cl |t:7|
8273 CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2)cc1 |t:7|
8274 CSc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2Cl)cc1 |t:7|
8275 COc1ccccc1C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|
8276 CSc1ccc(NC2=C(C(=O)NC2=O)c2cccc(Cl)c2)cc1 |t:7|
8277 COc1cccc(c1)C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|
8278 CSc1ccc(NC2=C(C(=O)NC2=O)c2cccc(c2)N(=O)=O)cc1 |t:7|
8279 CSc1ccc(NC2=C(C(=O)NC2=O)c2ccc(Cl)cc2)cc1 |t:7|
8280 COc1ccc(cc1)C1=C(Nc2ccc(SC)cc2)C(=O)NC1=O |c:9|
8281 CSc1ccc(NC2=C(C(=O)NC2=O)c2ccc(cc2)N(=O)=O)cc1 |t:7|
8282 CN(C1=C(C(=O)NC1=O)c1ccccc1)c1ccccc1 |t:2|
8283 COc1cccc(c1)C1=C(N(C)c2ccccc2)C(=O)NC1=O |c:9|
8284 CN(C1=C(C(=O)NC1=O)c1cccc(c1)N(=O)=O)c1ccccc1 |t:2|
8285 CN(C1=C(C(=O)NC1=O)c1ccc(Cl)cc1)c1ccccc1 |t:2|
8286 Clc1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8|
8287 COc1ccccc1C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:9|
8288 O=C1NC(=O)C(=C1N1CCc2ccccc12)c1ccccc1N(=O)=O |c:5|
8289 Clc1cccc(c1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8|
8290 O=C1NC(=O)C(=C1N1CCc2ccccc12)c1cccc(c1)N(=O)=O |c:5|
8291 Clc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:8|
8292 COc1ccc(cc1)C1=C(N2CCc3ccccc23)C(=O)NC1=O |c:9|
8293 CN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:12|
8294 CN1C(=O)C(Nc2ccc(Cl)c(c2)C(O)=O)=C(C1=O)c1ccc(Cl)cc1 |c:16|
8295 CN1C(=O)C(Nc2cc(Cl)c(O)c(Cl)c2)=C(C1=O)c1ccc(Cl)cc1 |c:15|
8296 Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
8297 Oc1ccc(NC2=C(C(=O)NC2=O)c2ccccc2N(=O)=O)cc1Cl |t:6|
8298 Clc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccc(cc1)N1CCCS1(=O)=O
8299 Fc1cc(ccc1N1CCCCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
8300 Nc1n[nH]c2ncc(cc12)-c1ccccc1
8301 Nc1n[nH]c2nccc(-c3ccccc3)c12
8302 Nc1n[nH]c2cnc(cc12)-c1ccccc1
8303 Cn1nc(N)c2cc(cnc12)-c1ccccc1
8304 Nc1noc2ncc(cc12)-c1ccccc1
8305 Nc1c[nH]c2ncc(cc12)-c1ccccc1
8306 CC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
8307 CCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
8308 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
8309 CC(C)C(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
8310 O=C(Nc1n[nH]c2ncc(cc12)-c1ccccc1)C1CCCC1
8311 CCNC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
8312 CS(=O)(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
8313 CCCC(=O)Nc1n[nH]c2ncc(cc12)B1OC(C)(C)C(C)(C)O1
8314 CCCC(=O)Nc1n[nH]c2ncccc12
8315 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1F
8316 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc(F)c1
8317 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc(F)c1F
8318 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1Cl
8319 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccnc1
8320 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccncc1
8321 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(cc1)-c1ccccc1
8322 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc2ccccc2c1
8323 CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccc2ccccc12
8324 CCCC(=O)Nc1n[nH]c2ccc(cc12)-c1ccccc1
8325 CCCC(=O)Nc1[nH]nc2cnc(nc12)-c1ccccc1
8326 CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12
8327 CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
8328 O=C(CCCN1CCCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1
8329 CCCC(=O)Nc1n[nH]c2cnc(cc12)-c1ccccc1
8330 CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
8331 CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1
8332 O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(cc12)-c1ccccc1
8333 CN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
8334 CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(cc23)-c2ccccc2)CC1
8335 CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F
8336 O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1
8337 Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1
8338 CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F
8339 CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1
8340 O=C(Nc1n[nH]c2nc(ccc12)-c1ccccc1)C1CC1
8341 Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8342 COc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8343 Oc1ccc(cc1O)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8344 Oc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8345 COc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8346 Oc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8347 COc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8348 Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1
8349 Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
8350 Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Cl
8351 Cc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccc(O)cc1
8352 O=C(Nc1n[nH]c2nc(-c3ccccc3)c(cc12)-c1ccccc1)C1CC1
8353 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
8354 Clc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
8355 O=C(Nc1n[nH]c2nc(-c3ccccc3)c(cc12)C#N)C1CC1
8356 CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccccc1
8357 CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
8358 CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(ccc12)-c1ccc(O)cc1
8359 CN1CCC(CC1)C(=O)Nc1n[nH]c2nc(c(Br)cc12)-c1ccc(O)cc1
8360 CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(ccc23)-c2cccc(O)c2)CC1
8361 Fc1cc(ccc1N1CCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
8362 CC(C)(C)OC(=O)N1CC(=O)N(C(=O)C1)c1ccc(cc1)N1CC(COC(=O)[N]2=CC=C(Cl)S2)OC1=O |t:30,32|
8363 Clc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccc(cc1)S(=O)(=O)N1CCCC1
8364 Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8365 Oc1ccc(cc1Cl)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
8366 CSc1nn(-c2cccc(C)c2)c2cc(ccc12)C1=CCNCC1 |t:21|
8367 CSc1nn(-c2ccccc2)c2cc(ccc12)C(=O)N1ONc2ccccc12
8368 CSc1nn(-c2cccc(F)c2)c2cc(ccc12)C1=CCNCC1 |t:21|
8369 O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1
8370 Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8371 O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1
8372 O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2ncccc2c1)C1CC1
8373 NS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8374 NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8375 CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8376 CS(=O)(=O)Nc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8377 O=C(Nc1n[nH]c2cc(ccc12)-c1ccc(=O)[nH]c1)C1CC1
8378 Fc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8379 Fc1ccc(F)c(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8380 Fc1ccc(cc1F)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8381 Fc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1F
8382 Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8383 Fc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
8384 O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1
8385 O=C(Nc1n[nH]c2cc(ccc12)-c1ccco1)C1CC1
8386 O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1
8387 O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1
8388 O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1
8389 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1
8390 Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1
8391 O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1
8392 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
8393 Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1nccs1
8394 Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1
8395 CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
8396 Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1
8397 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(Br)cc2)cc1
8398 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(O)c(F)c2)cc1
8399 Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
8400 COc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
8401 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1
8402 CS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
8403 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)c2)cc1
8404 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
8405 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(Br)c2)cc1
8406 CS(=O)(=O)Nc1ccc(Nc2cc(n[nH]2)-c2cccc(Br)c2)cc1
8407 NS(=O)(=O)c1cccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)c1
8408 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
8409 CN(C)c1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
8410 COc1ccc(cc1F)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
8411 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)N(=O)=O)cc1
8412 NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(c2)N2CCOCC2)cc1
8413 Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
8414 COc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1=O
8415 Clc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)o1
8416 Fc1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
8417 Oc1ccc(cc1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O
8418 O=C1N(Cc2ccco2)C(=S)S\C1=C/c1ccc(o1)-c1cccc(c1)N(=O)=O
8419 O=C1N(CCc2ccccc2)C(=S)S\C1=C/c1ccc(o1)-c1ccccc1N(=O)=O
8420 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O
8421 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O
8422 O=C1N(Cc2ccco2)C(=S)S\C1=C/c1ccc(o1)-c1ccc(cc1)N(=O)=O
8423 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)o1
8424 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1
8425 Clc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)NC2=O)o1
8426 Clc1cc(ccc1Br)-c1ccc(\C=C2/SC(=S)NC2=O)o1
8427 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1
8428 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(I)cc2)C1=O
8429 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)N(=O)=O)o1
8430 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)N(=O)=O)C1=O
8431 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)o1
8432 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)N(=O)=O)C1=O
8433 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC=C)C2=O)o1
8434 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
8435 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
8436 OC(=O)CN1C(=S)S\C(=C/c2ccco2)C1=O
8437 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
8438 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O
8439 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2N(=O)=O)C1=O
8440 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2N(=O)=O)C1=O
8441 COc1ccc(cc1Cl)-c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)o1
8442 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
8443 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
8444 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccccc2)C1=O
8445 OC(=O)CN1C(=S)S\C(=C/c2cccs2)C1=O
8446 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2ccc(Cl)cc2)C1=O
8447 OC(=O)CN1C(=S)S\C(=C/c2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)s2)C1=O
8448 OC(=O)CN1C(=S)S\C(=C/c2nccs2)C1=O
8449 OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Cl)cc2)C1=O
8450 COc1ccc(cc1OC)-c1cnc(\C=C2/SC(=S)N(CC(O)=O)C2=O)s1
8451 OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(Br)cc2)C1=O
8452 OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)C1=O
8453 CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)cc1
8454 CN1C(=N)NC(=O)\C1=C/c1ccc(o1)-c1cc(ccc1Cl)C(F)(F)F
8455 CN1C(NC(O)=O)=NC(=O)C1=Cc1ccc(o1)-c1ccc(Cl)cc1 |w:11.12,c:6|
8456 FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
8457 Clc1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
8458 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(s1)-c1ccccc1
8459 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)-c2cccs2)C1=O
8460 Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
8461 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
8462 OC(=O)CN1C(=S)S\C(=C/c2ncc(s2)-c2ccc(F)cc2)C1=O
8463 OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
8464 [#6]-[#8]-c1ccc(cc1Cl)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
8465 COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
8466 COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
8467 CC(C)[C@@H](N(Cc1cccnc1)C(C)=O)C(=O)NO |r|
8468 COc1ccc(cc1)S(=O)(=O)N[C@@H]1CCN(O)C1=O |r|
8469 CC(C)[C@@H](NS(=O)(=O)CC(F)(F)F)C(=O)NO |r|
8470 COc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)[C@H](C(C)C)C(=O)NO |r|
8471 COc1ccc(cc1)S(=O)(=O)N(CCc1ccsc1)[C@H](C(C)C)C(=O)NO |r|
8472 COc1ccc(cc1)S(=O)(=O)N(CCn1ccnc1)[C@H](C(C)C)C(=O)NO |r|
8473 CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NO |r|
8474 CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NO |r|
8475 CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)NO |r|
8476 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NO |r|
8477 CC(C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
8478 CC(C)[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)NO |r|
8479 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8480 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)NO |r|
8481 CC(C)[C@@H](NS(=O)(=O)c1ccc(C)c(F)c1)C(=O)NO |r|
8482 CC(C)[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NO |r|
8483 CC(C)[C@@H](NS(=O)(=O)Cc1cccc(Cl)c1)C(=O)NO |r|
8484 CCCCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
8485 CC(C)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
8486 CC(C)[C@@H](NS(=O)(=O)c1ccc(OCc2ccccc2)c(C)c1)C(=O)NO |r|
8487 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
8488 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c2ccccc12)C(=O)NO |r|
8489 CC(C)[C@@H](NS(=O)(=O)c1ccc(O)c(C)c1)C(=O)NO |r|
8490 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(CO)c1)C(=O)NO |r|
8491 CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1CO)C(=O)NO |r|
8492 CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)NO |r|
8493 CC(C)[C@@H](NS(=O)(=O)c1ccc(s1)-c1cnns1)C(=O)NO |r|
8494 C[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8495 CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8496 CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8497 Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)NO)C(C)(C)C |r|
8498 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CC1)C(=O)NO |r|
8499 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCC1)C(=O)NO |r|
8500 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCCC1)C(=O)NO |r|
8501 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)NO |r|
8502 Cc1cc(ccc1F)S(=O)(=O)N[C@@H](C(=O)NO)c1ccccc1 |r|
8503 Cc1cc(ccc1F)S(=O)(=O)N[C@H](C1CCOCC1)C(=O)NO |r|
8504 Cc1cc(ccc1F)S(=O)(=O)NC(C1CCOC1)C(=O)NO
8505 CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8506 CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8507 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CC1CC1)C(=O)NO |r|
8508 C[C@H]([C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO)C1CC1 |r|
8509 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCNC(=O)C[NH3+])C(=O)NO |r|
8510 C[C@H]([NH3+])C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)NO |r|
8511 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCNC(=O)C(C)(C)[NH3+])C(=O)NO |r|
8512 Cc1cc(ccc1F)S(=O)(=O)N[C@H](COCC[NH3+])C(=O)NO |r|
8513 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCCN=C(N)[NH3+])C(=O)NO |r,w:16.16|
8514 Cc1cc(ccc1F)S(=O)(=O)N[C@H](CCc1c[nH]c[nH+]1)C(=O)NO |r|
8515 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7] |r|
8516 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccccc1\[#7]=[#6](\[#7])-[#7] |r|
8517 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
8518 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(cn1)\[#7]=[#6](/[#7])-[#7] |r|
8519 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ncccc1\[#7]=[#6](\[#7])-[#7] |r|
8520 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1ccc(\[#7]=[#6](/[#7])-[#7])c2ccccc12 |r|
8521 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-c1c(cc(\[#7]=[#6](/[#7])-[#7])c2ccccc12)\[#7]=[#6](\[#7])-[#7] |r|
8522 NC(N)=NC[C@@H]1C[C@H](CN=C(N)N)[C@H](C[C@H]1O)c1ccc2nc(N)[nH]c2c1 |r,wU:5.4,7.7,wD:15.16,13.17,(2.19,7.78,;2.19,6.24,;3.53,5.47,;.86,5.47,;.86,3.93,;-.47,3.16,;-1.81,3.93,;-3.14,3.16,;-4.48,3.93,;-4.48,5.47,;-5.81,6.24,;-5.81,7.78,;-7.14,5.47,;-3.14,1.62,;-1.81,.85,;-.47,1.62,;.86,.85,;-4.48,.85,;-4.45,-.69,;-5.78,-1.48,;-7.12,-.73,;-8.58,-1.22,;-9.5,.01,;-11.04,-.01,;-8.61,1.27,;-7.14,.81,;-5.82,1.6,)|
8523 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@@H]-1-[#6]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-[#6@H]-1-[#8])-[#8]-[#6](=O)-[#7]-c1ccccc1\[#7]=[#6](/[#7])-[#7] |r|
8524 [#6]-c1cc(-[#7]-[#6](=O)-[#8]-[#6@@H]-2-[#6]-[#6@H](-[#8]-c3ccc(cc3\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-2-[#6]\[#7]=[#6](\[#7])-[#7])ccc1F |r|
8525 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#6]-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#6]-[#6@@H]-1-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#8]-c1ccc(cc1\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
8526 CSc1nn(-c2ccc(C)cc2)c2cc(ccc12)C1=CCNCC1 |t:21|
8527 CN(C)c1cccc(c1)C(N)=N
8528 Cc1noc(n1)[C@]12CC3CC(C1)[C@H](NC(=O)N1CCN(c4ccc(cn4)N4CCN(CC4)S(=O)(=O)C4CC4)c4ccccc14)C(C3)C2 |r,wU:12.14,wD:6.6,TLB:7:6:12:9.45.8,9:8:46:12.11.10,THB:7:8:12:46.6.11,(14.25,-4.1,;13.16,-3.01,;13.32,-1.48,;11.91,-.86,;10.88,-2,;11.65,-3.33,;9.34,-2,;8.19,-1.3,;7.85,-2.06,;7.03,-2.06,;7.03,-.67,;8.57,-.67,;6.26,-2,;4.72,-2,;3.95,-.67,;4.72,.67,;2.41,-.67,;1.64,-2,;.1,-2,;-.67,-.67,;-2.21,-.67,;-2.98,.67,;-4.52,.67,;-5.29,-.67,;-4.52,-2,;-2.98,-2,;-6.83,-.67,;-7.6,.67,;-9.14,.67,;-9.91,-.67,;-9.14,-2,;-7.6,-2,;-11.45,-.67,;-11.45,-2.21,;-11.45,.87,;-12.99,-.67,;-14.32,-1.44,;-14.32,.1,;.1,.67,;-.67,2,;.1,3.33,;1.64,3.33,;2.41,2,;1.64,.67,;7.03,-3.33,;8.04,-2.82,;8.57,-3.33,)|
8529 NC(=O)C[C@H]1CC(C2C=N[C@](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CCOC3)(Cc3ccccc3)C2=O)c2ccccc12 |r,c:8|
8530 O[C@@H](C[C@]1(Cc2ccccc2)N=CC(C2[C@@H]3OC(=O)N[C@@H]3c3ccccc23)C1=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r,c:12|
8531 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2C[C@H](CC(N)=O)c3ccccc23)C1=O |r,c:29|
8532 CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2C[C@H](CC(N)=O)c3ccccc23)C1=O |r,c:29|
8533 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@@H]3OC(=O)N[C@@H]3c3ccccc23)C1=O |r,c:29|
8534 CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC(C2[C@@H]3OC(=O)N[C@@H]3c3ccccc23)C1=O |r,c:29|
8535 COc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8536 COc1cccc(c1)-c1c[nH]c2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8537 COc1cccc(c1)-c1cn(C)c2c(N=NCc3ccncc3)ncnc12 |w:14.14|
8538 COc1cccc(c1)-n1ccc2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8539 COc1cccc(c1)-n1cnc2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8540 COc1cccc(c1)-c1n[nH]c2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8541 Fc1ccccc1CCNC(=O)Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
8542 OC(=O)Cc1ccc(CSc2nnc(s2)-c2ccncc2)cc1
8543 OC(=O)Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
8544 OC(=O)Cc1ccc(CSc2nnc([nH]2)-c2ccncc2)cc1
8545 OC(=O)Cc1ccc(CSc2nnc(s2)-c2cccnc2)cc1
8546 OC(=O)Cc1ccc(CSc2nnc(s2)-c2ccccn2)cc1
8547 OC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
8548 C(Sc1nnc(o1)-c1ccncc1)c1ccccc1
8549 C(Cc1ccccc1)Sc1nnc(o1)-c1ccncc1
8550 Clc1cccc(CSc2nnc(o2)-c2ccncc2)c1
8551 Clc1ccccc1CSc1nnc(o1)-c1ccncc1
8552 Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1
8553 Ic1ccc(CSc2nnc(o2)-c2ccncc2)cc1
8554 Fc1cccc(CSc2nnc(o2)-c2ccncc2)c1
8555 COC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
8556 OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
8557 Cc1nc(no1)-c1cccc(CSc2nnc(o2)-c2ccncc2)c1
8558 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1cccnc1
8559 CCCCCC(=O)Nc1ncnc2oc(cc12)-c1ccc(OC)cc1
8560 COc1ccc(cc1)-c1cc2c(NC(=O)CCSC)ncnc2o1
8561 COc1ccc(cc1)-c1cc2c(NC(=O)C(C)C)ncnc2o1
8562 COc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
8563 COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
8564 COc1ccc(cc1)-c1cc2c(NC(=O)CC3CCCC3)ncnc2o1
8565 COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCCC3)ncnc2o1
8566 COc1ccc(cc1)-c1cc2c(NC(=O)N3CCOCC3)ncnc2o1
8567 COc1ccc(cc1)-c1cc2c(NC(=O)N3CCCC3)ncnc2o1
8568 COc1ccc(cc1)-c1cc2c(NC(=O)c3cccc(F)c3)ncnc2o1
8569 COc1ccc(cc1)-c1cc2c(NC(=O)c3ccco3)ncnc2o1
8570 O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CC1
8571 Clc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
8572 Cc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
8573 Fc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
8574 O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CC1
8575 O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CCCC1
8576 Clc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
8577 Cc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
8578 Fc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
8579 O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
8580 NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
8581 C1Cc2ccccc2\C1=C\c1cccnc1
8582 [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:21|
8583 C1Cc2ccccc2\C1=C/c1cccnc1
8584 C1C\C(=C/c2cccnc2)c2ccccc2C1
8585 C1C\C(=C\c2cccnc2)c2ccccc2C1
8586 Fc1ccc2\C(CCc2c1)=C\c1cccnc1
8587 Fc1ccc2\C(CCc2c1)=C/c1cccnc1
8588 Clc1ccc2\C(CCc2c1)=C\c1cccnc1
8589 Clc1ccc2\C(CCc2c1)=C/c1cccnc1
8590 Brc1ccc2\C(CCc2c1)=C\c1cccnc1
8591 Brc1ccc2\C(CCc2c1)=C/c1cccnc1
8592 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2=O |r,t:8|
8593 COc1ccc2\C(CCc2c1)=C\c1cccnc1
8594 COc1ccc2\C(CCc2c1)=C/c1cccnc1
8595 COc1ccc2\C(CCCc2c1)=C\c1cccnc1
8596 COc1ccc2\C(CCCc2c1)=C/c1cccnc1
8597 CCOc1ccc2\C(CCc2c1)=C\c1cccnc1
8598 CCOc1ccc2\C(CCc2c1)=C/c1cccnc1
8599 Cc1cccc2\C(CCc12)=C\c1cccnc1
8600 COc1cccc2CC\C(=C/c3cccnc3)c12
8601 COc1ccc2CC\C(=C/c3cccnc3)c2c1
8602 COc1cc2CCC\C(=C/c3cccnc3)c2cc1OC
8603 C(Oc1ccc2\C(CCc2c1)=C\c1cccnc1)c1ccccc1
8604 Cc1ccc2CC\C(=C/c3cccnc3)c2c1
8605 Cc1ccc2CC\C(=C\c3cccnc3)c2c1
8606 Cc1cccc2\C(CCc12)=C/c1cccnc1
8607 Fc1cccc2\C(CCc12)=C\c1cccnc1
8608 Clc1cccc2\C(CCc12)=C\c1cccnc1
8609 Clc1cccc2\C(CCc12)=C/c1cccnc1
8610 [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r|
8611 N#Cc1ccc(cc1)C1CCCc2cncn12
8612 C1Cc2ccccc2\C1=C/c1ccncc1
8613 C1C\C(=C/c2ccncc2)c2ccccc2C1
8614 Fc1ccc2\C(CCc2c1)=C\c1ccncc1
8615 Fc1ccc2\C(CCc2c1)=C/c1ccncc1
8616 C1Cc2ccccc2\C1=C\c1ccncc1
8617 Fc1cccc2\C(CCc12)=C/c1cccnc1
8618 Clc1ccc2\C(CCc2c1)=C\c1ccncc1
8619 Clc1ccc2\C(CCc2c1)=C/c1ccncc1
8620 Brc1ccc2\C(CCc2c1)=C\c1ccncc1
8621 Brc1ccc2\C(CCc2c1)=C/c1ccncc1
8622 COc1ccc2\C(CCc2c1)=C\c1ccncc1
8623 COc1ccc2\C(CCc2c1)=C/c1ccncc1
8624 COc1ccc2\C(CCCc2c1)=C\c1ccncc1
8625 COc1ccc2\C(CCCc2c1)=C/c1ccncc1
8626 COc1ccc2CC\C(=C/c3ccncc3)c2c1
8627 COc1ccc2CC\C(=C\c3ccncc3)c2c1
8628 COc1cc2CCC\C(=C/c3ccncc3)c2cc1OC
8629 Cc1ccc2CC\C(=C/c3ccncc3)c2c1
8630 Cc1ccc2CC\C(=C\c3ccncc3)c2c1
8631 Fc1ccc2\C(CCc2c1)=C\c1cncnc1
8632 COc1ccc2\C(CCc2c1)=C\c1cncs1
8633 COc1ccc2\C(CCc2c1)=C/c1cncs1
8634 Fc1ccc2\C(CCc2c1)=C/c1cncnc1
8635 Fc1ccc2\C(CCc2c1)=C\c1cccc2ncccc12
8636 Fc1ccc2\C(CCc2c1)=C/c1cccc2ncccc12
8637 C(=C1c2ccccc2-c2ccccc12)c1cccnc1 |w:0.16|
8638 C(=C(c1ccccc1)c1ccccc1)c1cccnc1 |w:0.15|
8639 Fc1ccc2\C(CCc2c1)=C\c1cccc2cnccc12
8640 Fc1ccc2\C(CCc2c1)=C/c1cccc2cnccc12
8641 C\C(=C1\CCc2cc(F)ccc12)c1cccnc1
8642 Fc1ccc2\C(CCc2c1)=C\c1ccnc2ccccc12
8643 Fc1ccc2\C(CCc2c1)=C/c1ccnc2ccccc12
8644 C(=C1c2ccccc2-c2ccccc12)c1ccncc1 |w:0.16|
8645 C(=C(c1ccccc1)c1ccccc1)c1ccncc1 |w:0.15|
8646 CC1C\C(=C/c2cccnc2)c2ccccc12
8647 CC1C\C(=C\c2cccnc2)c2ccccc12
8648 C1C(c2ccccc2\C1=C\c1cccnc1)c1ccccc1
8649 COc1cc(CN=Nc2ncnc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|
8650 COc1cc(CN=Nc2nc(Cl)nc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|
8651 COc1cc(CN=Nc2nc(nc3n(ncc23)-c2ccccc2)-c2ccccc2)ccc1O |w:7.7|
8652 COc1cc(\C=N\N(C)c2ncnc3n(ncc23)-c2ccccc2)ccc1O
8653 COc1cc(CN=Nc2ncnc3n[nH]cc23)ccc1O |w:7.7|
8654 COc1cc(CN=Nc2ncnc3n(ncc23)C(C)C)ccc1O |w:7.7|
8655 COc1cc(CN=Nc2ncnc3n(Cc4ccccc4)ncc23)ccc1O |w:7.7|
8656 C(N=Nc1ncnc2n(ncc12)-c1ccccc1)c1ccncc1 |w:2.2|
8657 Cc1ccccc1-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|
8658 Cc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|
8659 Cc1ccc(cc1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|
8660 COc1ccccc1-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8661 Cc1ccc(Nc2ccc(nc2)-c2ccc(F)cc2F)c(c1)C(O)=O
8662 COc1ccc(cc1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8663 CCOc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:14.14|
8664 FC(F)(F)Oc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:16.16|
8665 CCCNc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:15.15|
8666 C(Nc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12)C1CC1 |w:13.13|
8667 CC(=O)Nc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:15.15|
8668 CCCC(=O)Nc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:17.17|
8669 Fc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|
8670 Brc1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:12.12|
8671 O=N(=O)c1cccc(c1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:14.14|
8672 C(N=Nc1ncnc2n(ncc12)-c1ccccn1)c1ccncc1 |w:2.2|
8673 C(N=Nc1ncnc2n(ncc12)-c1cccnc1)c1ccncc1 |w:2.2|
8674 C(N=Nc1ncnc2n(ncc12)-c1ccncc1)c1ccncc1 |w:2.2|
8675 COc1cccc(n1)-n1ncc2c(N=NCc3ccncc3)ncnc12 |w:13.13|
8676 C(N=Nc1ncnc2n(ncc12)-c1nccs1)c1ccncc1 |w:2.2|
8677 COc1cccc(c1)-n1ncc2c(N=NCc3ccccc3)ncnc12 |w:13.13|
8678 COc1cccc(c1)-n1ncc2c(N=NCc3ccccc3OC)ncnc12 |w:13.13|
8679 COc1cccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)c1 |w:9.9|
8680 COc1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:8.8|
8681 COc1cccc(c1)-n1ncc2c(N=NCc3ccccc3F)ncnc12 |w:13.13|
8682 COc1cccc(c1)-n1ncc2c(N=NCc3cccc(F)c3)ncnc12 |w:13.13|
8683 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(F)cc3)ncnc12 |w:13.13|
8684 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(F)c(F)c3)ncnc12 |w:13.13|
8685 COc1cccc(c1)-n1ncc2c(N=NCc3cccc(N)c3)ncnc12 |w:13.13|
8686 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(N)cc3)ncnc12 |w:13.13|
8687 COc1cccc(c1)-n1ncc2c(N=NCc3cccc(c3)S(C)(=O)=O)ncnc12 |w:13.13|
8688 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)S(C)(=O)=O)ncnc12 |w:13.13|
8689 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(O)cc3)ncnc12 |w:13.13|
8690 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(OCC=C)cc3)ncnc12 |w:13.13|
8691 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(OCc4ccc(F)cc4)cc3)ncnc12 |w:13.13|
8692 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(OCCN(C)C)cc3)ncnc12 |w:13.13|
8693 CCN(CC)c1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:11.11|
8694 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(CN(C)C)cc3)ncnc12 |w:13.13|
8695 CCNCc1ccc(CN=Nc2ncnc3n(ncc23)-c2cccc(OC)c2)cc1 |w:10.10|
8696 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(NC(C)=O)cc3)ncnc12 |w:13.13|
8697 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(NS(C)(=O)=O)cc3)ncnc12 |w:13.13|
8698 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(NC(=O)CCN(C)C)cc3)ncnc12 |w:13.13|
8699 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(C)cc3)ncnc12 |w:13.13|
8700 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)-c3ccccc3)ncnc12 |w:13.13|
8701 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C#N)ncnc12 |w:13.13|
8702 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C(O)=O)ncnc12 |w:13.13|
8703 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C(=O)NCCN(C)C)ncnc12 |w:13.13|
8704 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)C(=O)NCCS(C)(=O)=O)ncnc12 |w:13.13|
8705 COc1cccc(c1)-n1ncc2c(N=NCc3ccc(cc3)S(=O)(=O)NCCN(C)C)ncnc12 |w:13.13|
8706 COc1cccc(c1)-n1nc(C)c2c(N=NCc3ccncc3)ncnc12 |w:14.14|
8707 CCc1nn(-c2cccc(OC)c2)c2ncnc(N=NCc3ccncc3)c12 |w:18.18|
8708 CCCc1nn(-c2cccc(OC)c2)c2ncnc(N=NCc3ccncc3)c12 |w:19.19|
8709 COc1cccc(c1)-n1nc(C(C)C)c2c(N=NCc3ccncc3)ncnc12 |w:16.16|
8710 COc1cccc(c1)-n1ncc2c(N=NC(C)c3ccncc3)ncnc12 |w:13.13|
8711 COc1cccc(c1)-n1nc(C)c2c(N=NC(C)c3ccncc3)ncnc12 |w:14.14|
8712 COC(=O)CC1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C
8713 COC(=O)C[C@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C |r|
8714 COC(=O)C[C@@H]1Nc2ccc(cc2CN(C)C1=O)C(=O)N(C)Cc1cc2ccccc2n1C |r|
8715 CN(Cc1cc2ccccc2n1C)C(=O)c1ccc2NCC(=O)N(C)Cc2c1
8716 CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)c(CN(C)C(C)=O)c1
8717 CN(Cc1cc2ccccc2n1C)C(=O)c1cccc(CN(C)C(C)=O)c1
8718 CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)cc1
8719 CN(Cc1cc2ccccc2n1C)C(=O)c1ccccc1
8720 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)nc1
8721 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)nc1
8722 CN(Cc1cc2ccccc2n1C)C(=O)CCc1ccc(N)nc1
8723 CN(Cc1cc2ccccc2n1C)C(=O)c1ccc(N)nc1
8724 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(N)cc1
8725 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cccnc1
8726 Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
8727 N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C4NCNN4)n3c2cc1-c1ccccc1 |r,wU:3.3,wD:3.6,1.0,(13.13,-7.57,;11.8,-6.8,;12.89,-5.71,;11.8,-4.62,;11.03,-3.29,;10.71,-5.71,;12.57,-3.29,;13.9,-2.52,;12.57,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;4.76,-14.63,;5.39,-16.03,;4.24,-17.06,;2.91,-16.29,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
8728 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)c(C)c1
8729 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NCCCc2c1
8730 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(NC(C)=O)nc1
8731 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(NC(C)=O)c(C)c1
8732 CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
8733 CN(Cc1cn(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
8734 CN(Cc1c(C)[nH]c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
8735 CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
8736 CN(Cc1c(C)n(C)c2c(C)cccc12)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
8737 C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
8738 Cc1ccc(Cn2cnc(c2)-c2cccs2)cc1
8739 COc1ccc(cc1)-c1cn(Cc2ccc(C)cc2)cn1
8740 O=N(=O)c1cccc(Cn2cnc(c2)-c2ccsc2)c1
8741 Nc1ccc(Cn2cnc(c2)-c2ccsc2)cc1
8742 COc1ccc(Cn2cnc(c2)-c2ccsc2)cc1
8743 OC(=O)c1cccc(Cn2cnc(c2)-c2ccsc2)c1
8744 Cc1ccc(Cn2cnc(c2)-c2ccsc2)cc1
8745 Cn1cnc(c1)-c1ccsc1
8746 Cc1cccc(Cn2cnc(c2)-c2ccsc2)c1
8747 Cc1ccccc1Cn1cnc(c1)-c1ccsc1
8748 C(c1ccc(cc1)-c1ccccc1)n1cnc(c1)-c1ccsc1
8749 COc1ccc(cc1)-c1cn(Cc2ccccc2)cn1
8750 COc1ccc(cc1)-c1cn(Cc2ccc(cc2)C(F)(F)F)cn1
8751 FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccccc2)cn1
8752 Cc1ccc(Cn2cnc(c2)-c2cccc(Cl)c2Cl)cc1
8753 COc1ccc(cc1)-c1c[nH]c(Cc2ccc(C)cc2)n1
8754 C([C@H]1COC(=N1)c1ccsc1)c1ccccc1 |r,c:4|
8755 Cc1ccc(Cc2coc(n2)-c2ccsc2)cc1
8756 Cc1ccc(Cc2noc(n2)-c2ccsc2)cc1
8757 C([C@@H]1COC(=N1)c1ccsc1)c1ccccc1 |r,c:4|
8758 Cc1ccc(Cc2nc(no2)-c2ccsc2)cc1
8759 CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCc2c(C1)[nH]c1ccccc21
8760 O=C(N1CCc2c(C1)[nH]c1ccccc21)c1ccccc1
8761 Oc1ccc(cc1)C(=O)N1CCc2c(C1)[nH]c1ccccc21
8762 Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
8763 COC(=O)Cn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
8764 COC(=O)CCCCn1c2CN(CCc2c2ccccc12)C(=O)c1ccc(O)cc1
8765 Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccccc1)c1ccccc21
8766 Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1cccc(O)c1)c1ccccc21
8767 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
8768 Nc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
8769 Oc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(F)cc1)c1ccccc21
8770 CS(=O)(=O)c1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
8771 OC(=O)c1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
8772 Oc1ccc(Cn2c3CCN(Cc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
8773 Oc1ccc(cc1)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(O)cc1
8774 CN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1
8775 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2)cc1
8776 Cc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8777 CCCCc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8778 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1
8779 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2Cl)cc1
8780 COC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8781 Nc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8782 CNc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8783 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccccc2O)cc1
8784 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cccc(O)c2)cc1
8785 COc1ccc(cc1)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8786 Cc1ccc(C(=O)N2CCc3c(C2)n(Cc2ccc(O)cc2)c2ccccc32)c(O)c1
8787 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(Cl)cc2O)cc1
8788 Cc1cc(ccc1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8789 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)c(Cl)c2)cc1
8790 Oc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2cc(Cl)cc(Cl)c2O)cc1
8791 Cc1cc(cc(C)c1O)C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8792 Cc1cc(O)c(C)c(O)c1C(=O)N1CCc2c(C1)n(Cc1ccc(O)cc1)c1ccccc21
8793 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
8794 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
8795 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
8796 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(cc2)C(=O)c2ccccc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-1.75,5.73,;-2.08,4.23,;-2.56,8.27,;-3.7,9.31,;-1.1,8.74,;-.51,10.17,;1.01,10.37,;1.96,9.15,;1.37,7.73,;-.15,7.52,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
8797 COc1cc(ccc1NC(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:20.21,wD:23.28,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.86,11.33,;-1.46,12.82,;.02,13.22,;1.12,12.14,;.72,10.65,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8798 COc1cc(ccc1NC(=O)OCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.03,12.22,;-.05,13.31,;.36,14.8,;1.85,15.19,;2.93,14.09,;2.52,12.61,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8799 COc1cc(ccc1NC(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.7,10.71,;1.24,12.15,;2.76,12.4,;3.74,11.21,;3.2,9.77,;1.68,9.52,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8800 COc1cc(ccc1NS(=O)(=O)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:21.22,wD:24.29,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.44,8.74,;-1.1,7.2,;-.77,10.25,;-1.89,11.3,;-1.53,12.8,;-.06,13.24,;1.06,12.19,;.71,10.69,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8801 COc1cc(ccc1NS(=O)(=O)Nc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.44,8.74,;-1.1,7.2,;-.77,10.25,;.7,10.71,;1.21,12.17,;2.72,12.45,;3.73,11.28,;3.22,9.83,;1.7,9.54,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8802 COc1cc(ccc1NCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:19.20,wD:22.27,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;-1.85,11.34,;-1.45,12.82,;.04,13.22,;1.13,12.12,;.72,10.64,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8803 COc1cc(ccc1NC(=O)CCc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:22.23,wD:25.30,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8804 COc1cc(ccc1NC(=O)C(C)(C)Cc1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.88,11.31,;-.38,11.74,;.72,10.64,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8805 COc1cc(ccc1NC(=O)CC(C)(C)c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:24.25,wD:27.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.72,10.64,;.72,9.1,;2.25,10.43,;1.13,12.12,;.1,13.28,;.59,14.74,;2.1,15.05,;3.12,13.9,;2.63,12.44,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8806 COc1cc(ccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,13.15,wD:26.32,11.11,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;-1.28,11.7,;.24,11.41,;1.69,11.93,;2,13.43,;3.46,13.92,;4.61,12.89,;4.3,11.38,;2.84,10.9,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8807 COc1cc(ccc1NC(=O)c1cc2ccccc2o1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |r,wU:23.25,wD:26.32,(.85,5.16,;-.29,6.2,;-1.75,5.73,;-2.08,4.23,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;.04,7.7,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-4.03,2.3,;-3.12,1.05,;-4.03,-.2,;-3.55,-1.66,;-2.06,-2.04,;-1.64,-3.52,;-2.72,-4.63,;-4.21,-4.25,;-4.63,-2.76,;-2.3,-6.11,;-3.34,-7.24,;-2.87,-8.71,;-1.37,-9.04,;-.91,-10.51,;-.33,-7.91,;-.8,-6.44,;-5.49,.28,;-6.82,-.49,;-8.16,.28,;-8.16,1.82,;-6.82,2.59,;-6.82,4.13,;-5.49,1.82,)|
8808 CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(NCc3cc4ccccc4[nH]3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.77,10.25,;.65,10.85,;.52,12.38,;1.57,13.51,;1.12,14.98,;-.38,15.33,;-1.43,14.2,;-.98,12.73,;-1.78,11.41,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
8809 Cc1sc2ncnc(N)c2c1-c1ccc(N)cc1
8810 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)c2cccc(C)c2)cc1
8811 Cc1sc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
8812 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
8813 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8814 Cc1sc2ncnc(N)c2c1-c1ccc(cc1)C(=O)Nc1cccc(C)c1
8815 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=S)Nc2cccc(C)c2)cc1
8816 Cc1sc2ncnc(N)c2c1-c1ccc(cc1)N=C(NC#N)Nc1cccc(C)c1 |w:17.19|
8817 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
8818 Cc1sc2ncnc(N)c2c1-c1ccc(Nc2nc3ccccc3o2)cc1
8819 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Cc2cccc(C)c2)cc1
8820 CN(C(=O)Nc1cccc(C)c1)c1ccc(cc1)-c1c(C)sc2ncnc(N)c12
8821 CN(C(=O)Nc1ccc(cc1)-c1c(C)sc2ncnc(N)c12)c1cccc(C)c1
8822 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)NCc2ccccc2)cc1
8823 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)NCC2CCCCC2)cc1
8824 CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8825 CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1
8826 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3ncnc(N)c23)c1
8827 CCCCNC(=O)Nc1ccc(cc1)-c1csc2ncnc(N)c12
8828 CC(C)CNC(=O)Nc1ccc(cc1)-c1csc2ncnc(N)c12
8829 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2C)cc1
8830 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
8831 COc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(C)sc2ncnc(N)c12
8832 COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
8833 COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
8834 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2F)cc1
8835 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
8836 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
8837 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2Cl)cc1
8838 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
8839 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
8840 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Br)c2)cc1
8841 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
8842 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
8843 COC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
8844 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
8845 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
8846 Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
8847 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCC(N)=O)sc3ncnc(N)c23)c1
8848 CNC(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8849 CN(C)C(=O)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8850 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CN3CCOCC3)sc3ncnc(N)c23)c1
8851 CN1CCN(Cc2sc3ncnc(N)c3c2-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)CC1
8852 CN(C)Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8853 CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8854 CC(C)c1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8855 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3ccccc3)sc3ncnc(N)c23)c1
8856 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3cccnc3)sc3ncnc(N)c23)c1
8857 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(Cc3ccncc3)sc3ncnc(N)c23)c1
8858 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCO)sc3ncnc(N)c23)c1
8859 COCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8860 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCCO)sc3ncnc(N)c23)c1
8861 CN(C)CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
8862 Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(F)c2)c1
8863 Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(Cl)c2)c1
8864 COc1cc(NC(=O)Nc2cccc(C)c2)ccc1-c1csc2ncnc(N)c12
8865 Cc1cccc(NC(=O)Nc2ccc(cc2F)-c2csc3ncnc(N)c23)c1
8866 Cc1cccc(NC(=O)Nc2ccc(cc2Cl)-c2csc3ncnc(N)c23)c1
8867 COc1cc(ccc1NC(=O)Nc1cccc(C)c1)-c1csc2ncnc(N)c12
8868 Cc1cccc(NC(=O)Nc2ccc3-c4c(CCc3c2)sc2ncnc(N)c42)c1
8869 CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
8870 Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
8871 C1CC(=Cc2cnc[nH]2)c2ccccc2C1 |w:3.3|
8873 C1Cc2ccccc2C1=Cc1cnc[nH]1 |w:9.11|
8875 N#Cc1ccc2C(CCCc2c1)=Cc1cnc[nH]1 |w:12.14|
8876 N#Cc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:11.13|
8878 Clc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:9.9|
8879 Fc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
8881 Clc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
8883 Brc1ccc2C(CCc2c1)=Cc1cnc[nH]1 |w:10.12|
8885 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
8886 N#Cc1ccc2CCCC(=Cc3cnc[nH]3)c2c1 |w:10.10|
8888 C1C(=Cc2ccccc12)c1cccnc1 |c:1|
8889 C1Cc2ccccc2C=C1c1cccnc1 |c:9|
8890 COc1ccc2CC(=Cc2c1)c1cccnc1 |c:7|
8891 COc1ccc2C=C(CCc2c1)c1cccnc1 |c:6|
8892 CC1=C(CCc2ccccc12)c1cccnc1 |t:1|
8893 CCC1=C(CCc2ccccc12)c1cccnc1 |t:2|
8894 CC1Cc2ccccc2C=C1c1cccnc1 |c:10|
8895 CC1CC(=Cc2ccccc12)c1cccnc1 |c:3|
8896 CCC1CC(=Cc2ccccc12)c1cccnc1 |c:4|
8897 COc1ccc2C=C(CCc2c1)c1ccncc1 |c:6|
8898 C1Cc2ccccc2C=C1n1ccnc1 |c:9|
8899 COc1ccc2C=C(CCc2c1)n1ccnc1 |c:6|
8900 C(=C\c1cccnc1)\c1ccccc1
8901 COc1ccc2CCC(=Cc2c1)c1cccnc1 |c:8|
8902 C1C(=Cc2ccccc12)n1ccnc1 |c:1|
8903 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
8904 c1ccc2cc(ccc2c1)-c1cccnc1
8905 COc1ccc2cc(ccc2c1)-c1cccnc1
8906 Oc1ccc2cc(ccc2c1)-c1cccnc1
8907 Brc1ccc2cc(ccc2c1)-c1cccnc1
8908 CCOc1ccc2cc(ccc2c1)-c1cccnc1
8909 N#Cc1ccc2cc(ccc2c1)-c1cccnc1
8910 COc1ccc2cc(ccc2c1Cl)-c1cccnc1
8911 COc1ccc2cc(ccc2c1Br)-c1cccnc1
8912 COc1ccc2c(Cl)c(ccc2c1Cl)-c1cccnc1
8913 COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
8914 COC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
8915 c1ccc2c(c1)cc(-c1cccnc1)c1ccccc21
8916 c1cn(cn1)-c1ccc2ccccc2c1
8917 COc1cc2ccccc2cc1-n1ccnc1
8918 COc1ccc2cc(ccc2c1)-n1ccnc1
8919 c1cn(cn1)-c1cnc2ccccc2c1
8920 C(Oc1ccc2cc(ccc2c1)-c1cccnc1)c1ccccc1
8921 COc1ccc2cc(ccc2c1-c1cccnc1)-c1cccnc1
8922 COc1cc2ccccc2cc1-c1cccnc1
8923 NC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
8924 CNC(=O)c1ccc2cc(ccc2c1)-c1cccnc1
8925 c1ccc2ncc(cc2c1)-c1cccnc1
8926 c1ccc2nc(ccc2c1)-c1cccnc1
8927 c1ccc2nc(cnc2c1)-c1cccnc1
8928 c1ncc(o1)-c1ccc2ccccc2c1
8929 COc1ccc2cc(ccc2c1)-c1cncnc1
8930 COc1ccc2cc(ccc2c1)-c1ccncc1
8931 c1nc(c[nH]1)-c1ccc2ccccc2c1
8932 Cn1cncc1-c1ccc2ccccc2c1
8933 COc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:13.15|
8934 COc1ccc2C(=O)C(Cc3cnc[nH]3)CCc2c1
8935 COc1ccc2C(C)=C(Cc3cnc[nH]3)CCc2c1 |t:7|
8936 CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc12 |c:1|
8937 COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1O |t:14|
8938 CC1=C(Cc2cnc[nH]2)CCc2cc(O)c(O)cc12 |c:1|
8939 COc1ccc2c(CCC3(Cc4cnc[nH]4)OC23C)c1
8940 Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12
8941 Oc1ccc2C(=O)C(CCc2c1)=Cc1cnc[nH]1 |w:12.14|
8942 COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1OC |w:8.8|
8943 COc1cc2CCC(=Cc3cnc[nH]3)C(=O)c2cc1O |w:8.8|
8944 COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1OC
8945 COc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
8946 COc1cc2CCC(Cc3cnc[nH]3)=C(C)c2cc1OC |t:14|
8947 Oc1cc2CCC(Cc3cnc[nH]3)C(=O)c2cc1O
8948 COc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
8949 Oc1cccc(c1)-c1ccc(Cn2ccnc2)cc1
8950 Oc1ccc(O)c(c1)-c1ccc(Cn2ccnc2)cc1
8951 Oc1ccc(cc1O)-c1ccc(Cn2ccnc2)cc1
8952 Oc1ccc(c(O)c1O)-c1ccc(Cn2ccnc2)cc1
8953 Oc1cc(cc(O)c1O)-c1ccc(Cn2ccnc2)cc1
8954 COc1ccc(OC)c(c1)-c1ccc(Cn2ccnc2)cc1
8955 COc1ccc(cc1OC)-c1ccc(Cn2ccnc2)cc1
8956 COc1ccc(c(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
8957 COc1cc(cc(OC)c1OC)-c1ccc(Cn2ccnc2)cc1
8958 CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
8959 CC(=O)SCC[N+](C)(C)C
8960 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
8961 Nc1c2CCCCc2nc2ccccc12
8962 C(CCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
8963 C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8964 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8965 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8966 CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8967 C=CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8968 OCCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8969 CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8970 C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
8971 C(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8972 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCSc1c2CCCCc2nc2ccccc12
8973 C(CCCCc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8974 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
8975 CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
8976 CN(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8977 CC(=O)N(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
8978 CCCC(=O)SCC[N+](C)(C)C
8979 O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
8980 O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1
8981 COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1
8982 O=C(CNC1CCc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
8983 O=C(CNC1c2ccccc2-c2[nH]c3ccccc3c12)NCCC1CCN(Cc2ccccc2)CC1
8984 Cc1ccc2nc3CCCCc3c(N)c2c1
8985 Cc1ccc2c(N)c3CCCCc3nc2c1
8986 Nc1c2CCCCc2nc2ccc(Cl)cc12
8987 Nc1c2CCCCc2nc2cc(Cl)ccc12
8988 Nc1c2CCCCc2nc2ccc(cc12)[N+]([O-])=O
8989 Nc1c2CCCCc2nc2cc(ccc12)[N+]([O-])=O
8990 COc1ccc2c(N)c3CCCCc3nc2c1
8991 Nc1ccc2nc3CCCCc3c(N)c2c1
8992 Nc1c2CCCCc2nc2cc(F)ccc12
8993 Nc1c2CCCCc2nc2cc(Cl)c(Cl)cc12
8994 COc1cc2nc3CCCCc3c(N)c2cc1OC
8995 Cc1ccc2nc3CCCCc3c(NCc3ccccc3)c2c1
8996 Cc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
8997 Clc1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
8998 [O-][N+](=O)c1ccc2nc3CCCCc3c(NCc3ccccc3)c2c1
8999 [O-][N+](=O)c1ccc2c(NCc3ccccc3)c3CCCCc3nc2c1
9000 CCCCCCCNc1c2CCCCc2nc2ccc(C)cc12
9001 CCCCCCCNc1c2CCCCc2nc2cc(C)ccc12
9002 CCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
9003 CCCCCCCNc1c2CCCCc2nc2cc(ccc12)[N+]([O-])=O
9004 CCCCCCCNc1c2CCCCc2nc2cc(OC)ccc12
9005 CCCCCCCNc1c2CCCCc2nc2cc(F)ccc12
9006 O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
9007 O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
9008 Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9009 Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9010 Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
9011 Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9012 Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9013 COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
9014 COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
9015 COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
9016 COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
9017 COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
9018 Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
9019 COc1ccc2[nH]cc(CCNC(C)=O)c2c1
9020 O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2CCCCc2nc2ccccc12
9021 Clc1ccc2c(NCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9022 Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9023 Clc1ccc2c(NCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9024 Clc1ccc2c(NCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9025 Clc1ccc2c(NCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9026 Clc1ccc2c(NCCCCCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9027 CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
9028 CN(CCCNC(=O)CCc1c[nH]c2ccccc12)CCCNc1c2CCCCc2nc2cc(Cl)ccc12
9029 Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccc(cc34)C#N)c3CCCCc3nc2c1
9030 Clc1ccc2c(NCCCCCCNC(=O)\C=C\c3c[nH]c4ccccc34)c3CCCCc3nc2c1
9031 Clc1ccc2c(NCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
9032 Clc1ccc2c(NCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
9033 Clc1ccc2c(NCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
9034 Clc1ccc2c(NCCCCCCCCNC(=O)c3c[nH]c4ccccc34)c3CCCCc3nc2c1
9035 Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9036 Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c3CCCCc3nc2c1
9037 Clc1ccc2c(NCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9038 Clc1ccc2c(NCCCCCCNC(=O)CCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9039 Cn1cc(C(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccccc12
9040 Clc1ccc2c(NCCCCCCCNC(=O)c3n[nH]c4ccccc34)c3CCCCc3nc2c1
9041 Clc1ccc2c(NCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9042 Clc1ccc2c(NCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9043 Clc1ccc2c(NCCCCCCCNC(=O)OCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
9044 C(CCCNc1c2CCCc2nc2ccccc12)CCNc1c2CCCc2nc2ccccc12
9045 C(CCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12
9046 C(CCCCNc1c2CCCc2nc2ccccc12)CCCNc1c2CCCc2nc2ccccc12
9047 C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
9048 N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:3.6,1.0,wD:3.3,(13.13,-7.57,;11.8,-6.8,;10.71,-5.71,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.03,-3.29,;9.69,-2.52,;11.03,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)|
9049 Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F
9050 Fc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
9051 Fc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
9052 Fc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(F)ccc34)c3CCCCc3nc2c1
9053 Clc1ccc2c(NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
9054 Clc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
9055 Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
9056 C(CCCNc1c2CCCCc2nc2ncccc12)CCNc1c2CCCCc2nc2ncccc12
9057 C(CCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
9058 C(CCCCNc1c2CCCCc2nc2ncccc12)CCCNc1c2CCCCc2nc2ncccc12
9059 C(CCCNc1c2CCCCCc2nc2ccccc12)CCNc1c2CCCCCc2nc2ccccc12
9060 C(CCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
9061 C(CCCCNc1c2CCCCCc2nc2ccccc12)CCCNc1c2CCCCCc2nc2ccccc12
9062 COc1cc2CC(CNCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
9063 COc1cc2CC(CNCCCCCCCNc3c4CCCCc4nc4ccccc34)C(=O)c2cc1OC
9064 O=C1C(CNCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
9065 Clc1ccc2c(NCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
9066 Clc1ccc2c(NCCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
9067 CN(CCCCNC(=O)CN1C(=O)c2ccccc2C1=O)CCNc1c2CCCCc2nc2cc(Cl)ccc12
9068 O=C1N(CCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
9069 O=C1N(CCCCCCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12
9070 O=C1N(CCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
9071 O=C1N(CCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
9072 O=C1N(CCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
9073 O=C1N(CCCCCCCCCNc2c3ccccc3nc3ccccc23)C(=O)c2ccccc12
9074 Nc1c2Cc3ccccc3-c2nc2ccccc12
9075 Nc1c2Cc3ccccc3-c2nc2cc(F)ccc12
9076 COc1cccc-2c1Cc1c-2nc2ccccc2c1N
9077 Nc1c2Cc3cc(F)ccc3-c2nc2ccccc12
9078 C(Nc1c2Cc3ccccc3-c2nc2ccccc12)c1ccccc1
9079 CNc1c2Cc3ccccc3-c2nc2ccccc12
9080 Nc1c2Cc3ccccc3-c2nc2ccc(cc12)[N+]([O-])=O
9081 Nc1ccc2nc-3c(Cc4ccccc-34)c(N)c2c1
9082 Nc1c2Cc3ccccc3-c2nc2cc(ccc12)[N+]([O-])=O
9083 Nc1ccc2c(N)c3Cc4ccccc4-c3nc2c1
9084 Nc1c2Cc3ccccc3-c2nc2cc(Cl)ccc12
9085 COc1ccc-2c(Cc3c-2nc2ccccc2c3N)c1
9086 COc1ccc2Cc3c(nc4ccccc4c3N)-c2c1
9087 Cc1cccc-2c1Cc1c-2nc2ccccc2c1N
9088 Cc1ccc2Cc3c(nc4ccccc4c3N)-c2c1
9089 Nc1c2Cc3cc(Cl)ccc3-c2nc2ccccc12
9090 CCCCCCCNc1c2Cc3ccccc3-c2nc2ccccc12
9091 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r|
9092 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(s1)-c1ccc(Cl)cc1 |r|
9093 O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9094 O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(s2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9095 O[C@@H](C[C@@H](Cc1cc2cnccc2s1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2csc(n2)-c2ccc(cc2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r|
9096 O[C@@H](C[C@@H](Cc1cc2ccncc2o1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9097 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3o2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r|
9098 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r|
9099 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2cc3c(Cl)cncc3s2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r|
9100 Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3csc(n3)-c3ccc(F)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9101 Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9102 Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(s2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9103 Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(s3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9104 Cc1ccncc1-c1ccc(C[C@H](C[C@H](O)CN2CCN(Cc3ncc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9105 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(F)cc1 |r|
9106 Cc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(F)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9107 CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(F)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9108 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2nnc(o2)-c2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(F)cc1 |r|
9109 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r|
9110 Cc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9111 CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2ccc(Cl)cc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9112 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2nnc(o2)-c2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccc(Cl)cc1 |r|
9113 O[C@@H](C[C@@H](Cc1nnco1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9114 Cc1nnc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9115 CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(Cc3ccc(o3)-c3ccc(Cl)cc3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9116 O[C@@H](C[C@@H](Cc1nnc(o1)-c1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9117 COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
9118 COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2nnc(C)o2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
9119 CCCc1nnc(C[C@H](C[C@H](O)CN2CCN(C[C@H]2C(=O)NCC(F)(F)F)C(C)(C)c2ncc(o2)-c2cncc(OC)c2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)o1 |r|
9120 COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2nnc(o2)-c2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
9121 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9122 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9123 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccccc2C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r|
9124 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccccc2C#N)C[C@H]1C(=O)NCC(F)(F)F |r|
9125 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccccc2F)C[C@H]1C(=O)NCC(F)(F)F |r|
9126 Cc1ccccc1-n1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@@H]3[C@H](O)COc4ccccc34)[C@@H](C2)C(=O)NCC(F)(F)F)c1 |r|
9127 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccccc2Cl)C[C@H]1C(=O)NCC(F)(F)F |r|
9128 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(c2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r|
9129 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(c2)C#N)C[C@H]1C(=O)NCC(F)(F)F |r|
9130 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(F)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
9131 Cc1cccc(c1)-n1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@@H]3[C@H](O)COc4ccccc34)[C@@H](C2)C(=O)NCC(F)(F)F)c1 |r|
9132 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cccc(Cl)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
9133 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)C[C@H]1C(=O)NCC(F)(F)F |r|
9134 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(cc2)C#N)C[C@H]1C(=O)NCC(F)(F)F |r|
9135 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(F)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9136 Cc1ccc(cc1)-n1ccc(CN2CCN(C[C@@H](O)C[C@@H](Cc3cccnc3)C(=O)N[C@@H]3[C@H](O)COc4ccccc34)[C@@H](C2)C(=O)NCC(F)(F)F)c1 |r|
9137 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(Cl)cc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9138 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(Cl)c(Cl)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
9139 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2cc(Cl)c(Cl)c(Cl)c2)C[C@H]1C(=O)NCC(F)(F)F |r|
9140 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccn(c2)-c2ccc(F)c(F)c2F)C[C@H]1C(=O)NCC(F)(F)F |r|
9141 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1cc2cnccc2o1 |r|
9142 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ccc(o1)-c1ccncc1 |r|
9143 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccncc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9144 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2cccnc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9145 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F |r|
9146 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ncc(o2)-c2ccccn2)C[C@H]1C(=O)NCC(F)(F)F |r|
9147 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ncc(o2)-c2cccnc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9148 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ncc(o2)-c2ccncc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9149 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1ccccn1 |r|
9150 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1cccnc1 |r|
9151 CC(C)(N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F)c1ncc(o1)-c1cncc(Cl)c1 |r|
9152 COc1cncc(c1)-c1cnc(o1)C(C)(C)N1CCN(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)COc3ccccc23)[C@@H](C1)C(=O)NCC(F)(F)F |r|
9153 CNc1ncnc2n(C)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
9154 O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccccc2)C[C@H]1C(=O)NCC(F)(F)F |r|
9155 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r|
9156 O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccsc3s2)C[C@H]1C(=O)NCC(F)(F)F |r|
9157 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r|
9158 O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3ccccc3o2)C[C@H]1C(=O)NCC(F)(F)F |r|
9159 O[C@@H](C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r|
9160 O[C@@H](C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2cc3cccc(Cl)c3o2)C[C@H]1C(=O)NCC(F)(F)F |r|
9161 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC(C)C |r|
9162 CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9163 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OCC(C)C |r|
9164 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC1CCCCC1 |r|
9165 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC1CCCC1 |r|
9166 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OCC1CCCCC1 |r|
9167 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Oc1ccccc1 |r|
9168 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)OC1CCCC1 |r|
9169 COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(OC)cc1)C(C)(C)C |r|
9170 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(N)=O)OC1CCCC1 |r|
9171 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(OC)cc1 |r|
9172 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1cccc(N)c1 |r|
9173 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(N)cc1 |r|
9174 [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc(O)cc1 |r|
9175 [H][C@]12OCC[C@@]1([H])[C@H](CO2)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
9176 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCC1)S(=O)(=O)c1ccc2OCCOc2c1 |r|
9177 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc(OC)cc1 |r|
9178 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1cccc(N)c1 |r|
9179 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc(N)cc1 |r|
9180 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc(O)cc1 |r|
9181 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc2OCOc2c1 |r|
9182 [H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc2OCCOc2c1 |r|
9183 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9184 O[C@@H](C[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9185 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(Cc3ccccc3)cc2)C[C@H](Cc2ccccc2)C1=O |r|
9186 O[C@@H](C[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9187 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(O)cc2)C[C@H](Cc2ccccc2)C1=O |r|
9188 O[C@@H](C[C@@H](Cc1ccc(OCCN2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9189 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(OCCN3CCOCC3)cc2)C[C@H](Cc2ccccc2)C1=O |r|
9190 OCCOc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
9191 OCCOc1ccc(C[C@H]2C[C@H](Cc3ccccc3)C(=O)N2C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
9192 O[C@@H](C[C@@H](Cc1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9193 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccc(OCC(=O)N3CCOCC3)cc2)C[C@H](Cc2ccccc2)C1=O |r|
9194 O[C@@H](C[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9195 COCCOCCOc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
9196 O[C@@H](C[C@@H](Cc1ccc(OCCOC(=O)N2CCOCC2)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O |r|
9197 CN1CCN(CC1)C(=O)COc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
9198 NC(=O)COc1ccc(C[C@H](C[C@H](O)CN2[C@@H](Cc3ccccc3)C[C@H](Cc3ccccc3)C2=O)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 |r|
9199 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2cccnc2)C1=O |r|
9200 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccn2)C1=O |r|
9201 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccncc2)C1=O |r|
9202 COc1cc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc(OC)c1OC |r|
9203 CS(=O)(=O)c1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1 |r|
9204 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2cccc(F)c2)C1=O |r|
9205 COc1ccc(CN2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1 |r|
9206 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(c2)C#N)C1=O |r|
9207 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC(Cc2ccc(cc2)C#N)C1=O |r,w:35.39|
9208 Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9209 Nc1ccc(CC2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)cc1 |r,w:6.5|
9210 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(O)c2)C1=O |r|
9211 COC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9212 NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccc(OCCO)cc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9213 NC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9214 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(OCC#N)c2)C1=O |r|
9215 NC(=O)COc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9216 OCCOCCNC(=O)c1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9217 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2cccc(c2)C(=O)NCCN2CCOCC2)C1=O |r|
9218 CCOC(=O)CNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9219 CCNC(=O)Nc1cccc(C[C@H]2C[C@H](Cc3ccccc3)N(C[C@@H](O)C[C@@H](Cc3ccccc3)C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)C2=O)c1 |r|
9220 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC(Cc2ccncc2)C1=O |r,w:35.39|
9221 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC(CC=C)C1=O)CC1CCCC1 |r|
9222 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC(Cc2ccccc2)C1=O)CC1CCCC1 |r|
9223 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CCC1=O |r|
9224 COc1cc(OC)c(Cl)c(c1Cl)-c1ccc(C(=O)Nc2ccc(cn2)C(N)=O)c2nccnc12 |(9.24,-2.67,;7.7,-2.67,;6.93,-1.33,;7.7,,;6.93,1.33,;7.7,2.67,;6.93,4,;5.39,1.33,;4.62,2.67,;4.62,,;5.39,-1.33,;4.62,-2.67,;3.08,,;2.31,1.33,;.77,1.33,;;-1.54,,;-2.31,1.33,;-2.31,-1.33,;-3.85,-1.33,;-4.62,,;-6.16,,;-6.93,-1.33,;-6.16,-2.67,;-4.62,-2.67,;-8.47,-1.33,;-9.24,-2.67,;-9.24,,;.77,-1.33,;,-2.67,;.77,-4,;2.31,-4,;3.08,-2.67,;2.31,-1.33,)|
9225 [H][C@@]1(Cc2ccccc2)C[C@H](Cc2ccccc2)N(C[C@@H](O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)C1=O |r|
9226 O[C@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CCC1=O |r|
9227 Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)c(C)c1Cl |r,wU:5.4,wD:8.11,(7.23,-2.19,;6.46,-.86,;4.99,-.38,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;6.46,1.64,;6.86,3.12,;7.36,.39,;8.9,.39,)|
9228 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)S1(=O)=O |r|
9229 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccc2)S1(=O)=O |r|
9230 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CN(Cc2ccccc2)C1=O |r|
9231 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC2(CCCCC2)C1=O |r|
9232 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC2(CCOCC2)C1=O |r|
9233 O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)CN1[C@@H](Cc2ccccc2)CC2(CCN(Cc3ccccc3)CC2)C1=O |r|
9234 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC2(CCCCC2)C1=O)CC1CCCC1 |r|
9235 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)C[C@H](Cc2ccccc2)C1=O)CC1CCCC1 |r|
9236 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9237 Cc1cc(C)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(Cl)cnc2C)n1 |r,wU:7.6,wD:10.13,(7.23,-2.19,;6.46,-.86,;7.36,.39,;6.46,1.64,;6.86,3.12,;4.99,1.16,;3.66,1.93,;2.33,1.16,;2.33,-.38,;.99,-1.15,;-.34,-.38,;-.34,1.16,;.99,1.93,;-1.68,-1.15,;-3.01,-.38,;-3.01,1.16,;-4.34,-1.15,;-5.68,-.38,;-7.01,-1.15,;-8.34,-.38,;-7.01,-2.69,;-5.68,-3.46,;-4.34,-2.69,;-3.01,-3.46,;4.99,-.38,)|
9238 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)C(=O)OCCCCCCCCC=C |r|
9239 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)C(=O)OC(CCCCCCCC=C)c1ccccc1 |r|
9240 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCCCCCC=C)C(=O)OC(CC=C)c1ccccc1 |r|
9241 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCCCCCC=C)C(=O)OCCC=C |r|
9242 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCCCCCCOC1=O |r,c:31|
9243 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCCCCCC(OC1=O)c1ccccc1 |r,c:31|
9244 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC=CCCOC1=O |r,w:35.37|
9245 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC=CCC(OC1=O)c1ccccc1 |r,w:35.37|
9246 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCOC1=O |r|
9247 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCC(OC1=O)c1ccccc1 |r|
9248 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCC(OC1=O)c1ccccc1 |r|
9249 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCOC1=O |r|
9250 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)C(=O)OC(CCCCCCC=C)c1ccccc1 |r|
9251 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCC=CCCCCCCC(OC1=O)c1ccccc1 |r,w:32.35|
9252 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCCC(OC1=O)c1ccccc1 |r|
9253 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C(C)CC=C)C(=O)OCCCCCCCCC=C |r|
9254 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C(C)CC=CCCCCCCCCOC1=O |r,w:31.34|
9255 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C(C)CCCCCCCCCCCOC1=O |r|
9256 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)CC=C)C(=O)OCCCCCCCC=C |r|
9257 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)CC=CCCCCCCCOC1=O |r,w:32.35|
9258 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)CCCCCCCCCCOC1=O |r|
9259 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCC=C |r|
9260 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCC\C=C/COc2c(O)cccc2C(=O)N1 |r,c:25|
9261 CCCCCCC[C@H](NC(=O)c1cccc(O)c1O)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9262 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCOc2c(O)cccc2C(=O)N1 |r|
9263 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCC=C |r|
9264 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1 |r|
9265 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCCC=C |r|
9266 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@@H]1CCCCCCCCCOc2c(O)cccc2C(=O)N1 |r|
9267 CC(C)CN(C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCCC=C)S(=O)(=O)c1ccc2OCOc2c1 |r|
9268 CC(C)CN(C[C@@H](O)[C@@H]1CCCCCCCCOc2c(O)cccc2C(=O)N1)S(=O)(=O)c1ccc2OCOc2c1 |r|
9269 [H][C@@]1(CCSC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9270 [H][C@@]1(CCS(=O)(=O)C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9271 [H][C@]1(CCS(=O)(=O)[C@]1([H])C(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9272 [H][C@]1(CCS(=O)(=O)[C@]1([H])C(C)C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
9273 [H][C@@]1(CCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9274 Cc1nc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1
9275 CCc1c(nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
9276 NC(=O)CC1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2c(F)nccc32)nc1
9277 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(C)cc1 |r|
9278 [H][C@]1(CO[C@]2([H])OCCC[C@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
9279 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)C1(C)C(=O)Nc2ccccc12 |r|
9280 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCC(C)C)C1(C)C(=O)Nc2ccccc12 |r|
9281 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccccc1)C1(C)C(=O)Nc2ccccc12 |r|
9282 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)C1(CC=C)C(=O)Nc2ccccc12 |r|
9283 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)C1(C)C(=O)Nc2ccc(OC)cc12 |r|
9284 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)C1(C)C(=O)N(C)c2ccccc12 |r|
9285 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)C1(CC=C)C(=O)Nc2ccccc12 |r|
9286 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CCC11C(=O)Nc2ccccc12 |r,c:31|
9287 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCC11C(=O)Nc2ccccc12 |r|
9288 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)C1(CCC=C)C(=O)Nc2ccccc12 |r|
9289 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC=CCCC11C(=O)Nc2ccccc12 |r,c:31|
9290 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCC11C(=O)Nc2ccccc12 |r|
9291 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCOC1 |r|
9292 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCOC1 |r|
9293 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCCC1 |r|
9294 CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
9295 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCSC1 |r|
9296 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCSC1 |r|
9297 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 |r|
9298 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 |r|
9299 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C1CCOCC1 |r|
9300 CN1CCN(CC1)c1ncc(nc1Cl)C(=O)N[C@@H]([C@H]1CCOC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
9301 COC(=O)c1nc(Cl)c(N[C@@H]([C@H]2CCOC2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)nc1N |r|
9302 CC(C)[C@H](NC(=O)c1cnc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
9303 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)[C@H]1CCOC1 |r|
9304 CN(C)c1nc(N)c(nc1Cl)C(=O)N[C@@H]([C@H]1CCOC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
9305 CN(C)c1ncc(nc1Cl)C(=O)N[C@@H]([C@H]1CCOC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
9306 CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
9307 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@H]1CCOC1 |r|
9308 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnccn1)[C@H]1CCOC1 |r|
9309 CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(C)C1=O |r|
9310 CCOCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOCC)C1=O |r|
9311 COCCOCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOCCOC)C1=O |r|
9312 CC(=C)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(C)=C)C1=O |r|
9313 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC#C)C(=O)N(CC#C)[C@@H]1Cc1ccccc1 |r|
9314 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccn2)C(=O)N(Cc2ccccn2)[C@@H]1Cc1ccccc1 |r|
9315 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccnc2)C(=O)N(Cc2cccnc2)[C@@H]1Cc1ccccc1 |r|
9316 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccncc2)C(=O)N(Cc2ccncc2)[C@@H]1Cc1ccccc1 |r|
9317 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccncc2)[C@@H]1Cc1ccccc1 |r|
9318 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 |r|
9319 OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4ccccc4c3)C2=O)cc1 |r|
9320 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4ccccc4c3)C2=O)c1 |r|
9321 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r|
9322 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc3ccccc23)C(=O)N(Cc2cccc3ccccc23)[C@@H]1Cc1ccccc1 |r|
9323 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2F)C(=O)N(Cc2ccccc2F)[C@@H]1Cc1ccccc1 |r|
9324 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(F)c2)C(=O)N(Cc2cccc(F)c2)[C@@H]1Cc1ccccc1 |r|
9325 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 |r|
9326 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2Cl)C(=O)N(Cc2ccccc2Cl)[C@@H]1Cc1ccccc1 |r|
9327 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Cl)c2)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 |r|
9328 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1Cc1ccccc1 |r|
9329 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Br)c2)C(=O)N(Cc2cccc(Br)c2)[C@@H]1Cc1ccccc1 |r|
9330 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(Br)cc2)C(=O)N(Cc2ccc(Br)cc2)[C@@H]1Cc1ccccc1 |r|
9331 Cc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(C)c3)C2=O)c1 |r|
9332 Cc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(C)cc3)C2=O)cc1 |r|
9333 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(F)(F)F)[C@@H]1Cc1ccccc1 |r|
9334 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(cc2)C(F)(F)F)C(=O)N(Cc2ccc(cc2)C(F)(F)F)[C@@H]1Cc1ccccc1 |r|
9335 COc1ccccc1CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2OC)C1=O |r|
9336 COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1 |r|
9337 COc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1 |r|
9338 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(I)c2)C(=O)N(Cc2cccc(I)c2)[C@@H]1Cc1ccccc1 |r|
9339 OCc1ccc(CN2[C@@H](Cc3ccccc3)[C@@H](O)[C@H](O)[C@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r|
9340 CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O |r|
9341 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O |r|
9342 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(CC=C)[C@@H]1Cc1ccccc1 |r|
9343 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 |r|
9344 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C2CCCC2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1 |r|
9345 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r|
9346 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccnc2)[C@@H]1Cc1ccccc1 |r|
9347 Nc1c2C(O)CCCc2nc2ccccc12
9348 Nc1c2C(O)CCCc2nc2ccc(Cl)cc12
9349 Nc1c2C(O)CCCc2nc2cc(Cl)ccc12
9350 COc1ccc2c(N)c3C(O)CCCc3nc2c1
9351 Nc1c2C(O)CCCc2nc2cc(ccc12)C(F)(F)F
9352 Nc1c2C(O)CCCc2nc2cc(F)ccc12
9353 Nc1c2C(O)CCc2nc2ccccc12
9354 CNc1c2C(O)CCCc2nc2ccccc12
9355 CCCNc1c2C(O)CCCc2nc2ccccc12
9356 CN(C)CCNc1c2C(O)CCCc2nc2ccccc12
9357 OC1CCCc2nc3ccccc3c(NCCc3ccccc3)c12
9358 OC1CCCc2nc3ccccc3c(NCCCOc3ccccc3)c12
9359 OC1CCCc2nc3ccccc3c(NCCCC(c3ccccc3)c3ccccc3)c12
9360 OC1CCCc2nc3ccccc3c(NCCCC(c3ccc(F)cc3)c3ccc(F)cc3)c12
9361 OC1CCCc2nc3ccccc3c(NCCCC(c3cccc(F)c3)c3cccc(F)c3)c12
9362 OC1CCCc2nc3ccccc3c(NCc3ccccc3)c12
9363 OC1CCCc2nc3ccccc3c(NCc3ccccc3Cl)c12
9364 OC1CCCc2nc3ccccc3c(NCc3cccc(Cl)c3)c12
9365 OC1CCCc2nc3ccccc3c(NCc3ccc(Cl)cc3)c12
9366 OC1CCCc2nc3ccccc3c(NCc3ccccc3F)c12
9367 OC1CCCc2nc3ccccc3c(NCc3cccc(F)c3)c12
9368 OC1CCCc2nc3ccccc3c(NCc3ccc(F)cc3)c12
9369 COc1ccccc1CNc1c2C(O)CCCc2nc2ccccc12
9370 COc1cccc(CNc2c3C(O)CCCc3nc3ccccc23)c1
9371 COc1ccc(CNc2c3C(O)CCCc3nc3ccccc23)cc1
9372 Cc1ccccc1CNc1c2C(O)CCCc2nc2ccccc12
9373 Cc1cccc(CNc2c3C(O)CCCc3nc3ccccc23)c1
9374 Cc1ccc(CNc2c3C(O)CCCc3nc3ccccc23)cc1
9375 OC1CCCc2nc3ccccc3c(NCc3ccccc3C(F)(F)F)c12
9376 OC1CCCc2nc3ccccc3c(NCc3cccc(c3)C(F)(F)F)c12
9377 OC1CCCc2nc3ccccc3c(NCc3ccc(cc3)C(F)(F)F)c12
9378 OC1CCCc2nc3ccccc3c(NCc3c(F)c(F)c(F)c(F)c3F)c12
9379 OC1CCCc2nc3ccccc3c(NCc3cccs3)c12
9380 OC1CCCc2nc3cc(Cl)ccc3c(NCc3ccccc3)c12
9381 OC1CCCc2nc3cc(Cl)ccc3c(NCc3ccc(F)cc3)c12
9382 OC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3)c12
9383 OC1CCCc2nc3cc(F)ccc3c(NCc3ccccc3C(F)(F)F)c12
9384 OC1CCCc2nc3cc(ccc3c(NCc3ccccc3)c12)C(F)(F)F
9385 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
9386 Cc1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
9387 Cc1cccc(c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9388 Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9389 [O-][N+](=O)c1ccccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1
9390 [O-][N+](=O)c1cccc(c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9391 [O-][N+](=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9392 COc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9393 O=Cc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9394 Clc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9395 Fc1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9396 CC(=O)c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9397 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
9398 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccccn1
9399 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1cccnc1
9400 O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccncc1
9401 [O-][n+]1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1
9402 O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CCCCC1
9403 O=C(CCCC1CCN(Cc2ccccc2)CC1)c1ccccc1
9404 C(CC1CCN(Cc2ccccc2)CC1)NCc1ccccc1
9405 CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
9406 CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
9407 O=C(N(CCC1CCN(Cc2ccccc2)CC1)Cc1ccccc1)c1ccccc1
9408 O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1
9409 CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
9410 CCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
9411 O=C(N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
9412 CN(CCC1CCN(Cc2ccccc2C)CC1)C(=O)c1ccccc1
9413 CN(CCC1CCN(Cc2cccc(C)c2)CC1)C(=O)c1ccccc1
9414 CN(CCC1CCN(Cc2ccc(C)cc2)CC1)C(=O)c1ccccc1
9415 CN(CCC1CCN(Cc2ccccc2[N+]([O-])=O)CC1)C(=O)c1ccccc1
9416 CN(CCC1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
9417 CN(CCC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1)C(=O)c1ccccc1
9418 CN(CCC1CCN(CCc2ccccc2)CC1)C(=O)c1ccccc1
9419 CN(CCC1CCN(C\C=C\c2ccccc2)CC1)C(=O)c1ccccc1
9420 CN(CCC1CCN(CC1)C(=O)c1ccccc1)C(=O)c1ccccc1
9421 CN(CCC1CCNCC1)C(=O)c1ccccc1
9422 CN(CCC1CCN(CC2CC2)CC1)C(=O)c1ccccc1
9423 CN(CCC1CCN(CC2CCCCC2)CC1)C(=O)c1ccccc1
9424 CN(CCC1CCN(CC23CC4CC(CC(C4)C2)C3)CC1)C(=O)c1ccccc1 |TLB:12:13:17:10.11.16,16:11:18:17.15.14,16:15:18:10.11.12,THB:12:11:17:18.13.14,14:13:10:17.16.15,14:15:10:18.12.13|
9425 NCCCCCCCNc1c2CCCCc2nc2ccccc12
9426 NCCCCCCCCNc1c2CCCCc2nc2ccccc12
9427 NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
9428 NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
9429 NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
9430 CN(C)CCCCCCCNc1c2CCCCc2nc2ccccc12
9431 CN(C)CCCCCCCCNc1c2CCCCc2nc2ccccc12
9432 CN(C)CCCCCCCCCNc1c2CCCCc2nc2ccccc12
9433 CN(C)CCCCCCCCCCNc1c2CCCCc2nc2ccccc12
9434 CN(C)CCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
9435 C(CCCNc1ccncc1)CCCNc1c2CCCCc2nc2ccccc12
9436 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccncc1
9437 C(CCCCNc1ccncc1)CCCCNc1c2CCCCc2nc2ccccc12
9438 C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1ccncc1
9439 C(CCCCCCNc1c2CCCCc2nc2ccccc12)CCCCCNc1ccncc1
9440 C(CCCNc1ccnc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
9441 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccnc2ccccc12
9442 C(CCCCNc1ccnc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
9445 COc1ccc(cc1)-c1c(SCC=C)oc2cc(OCc3ccccc3)ccc2c1=O
9446 COc1ccc(cc1)-c1c(SCc2ccccc2)oc2cc(OCc3ccccc3)ccc2c1=O
9447 COc1ccc2c(c1)oc(SCC=C)c(-c1ccccc1)c2=O
9448 COc1ccc2c(c1)oc(SCc1ccccc1)c(-c1ccccc1)c2=O
9449 COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
9450 COc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
9451 COc1ccc2c(c1)oc(SCc1ccccn1)c(-c1ccccc1)c2=O
9452 COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccc(C)cc1)c2=O
9453 COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OC)ccc2c1=O
9454 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc12
9455 COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(OCc3ccccc3)ccc2c1=O
9456 Oc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
9457 Oc1ccc2c(c1)oc(SCc1cccnc1)c(-c1ccccc1)c2=O
9458 Oc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
9459 COc1ccc(cc1)-c1c(SCc2ccncc2)oc2cc(O)ccc2c1=O
9460 CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
9461 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
9462 Cc1ncc2C(c3ccccc3-c2n1)n1ccnc1
9463 O=C1c2ccccc2-c2nnc(Cn3ccnc3)cc12
9464 c1cn(cn1)C1c2ccccc2-c2ccccc12
9465 c1cn(cn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
9466 c1nncn1C1(c2ccccc2-c2ccccc12)c1ccccc1
9467 c1cn(nn1)C1(c2ccccc2-c2ccccc12)c1ccccc1
9468 c1ncn(n1)C1(c2ccccc2-c2ccccc12)c1ccccc1
9469 COc1ccc2cc(Cn3ccnc3)c(=O)oc2c1
9470 O=c1cc(Cn2ccnc2)c2ccccc2o1
9471 COc1ccc2c(Cn3ccnc3)cc(=O)oc2c1
9472 COc1ccc2c(Cn3cncn3)cc(=O)oc2c1
9473 O=c1cc(OCCn2ccnc2)c2ccccc2o1
9474 COc1ccc2c(OCCn3ccnc3)cc(=O)oc2c1
9475 O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
9476 COc1cc(Cn2ccnc2)c2ccc(=O)oc2c1
9477 O=c1ccc2cc(Cn3ccnc3)ccc2o1
9478 O=c1ccc2ccc(Cn3ccnc3)cc2o1
9479 O=c1ccc2ccc(Cn3cncn3)cc2o1
9480 O=c1ccc2ccc(OCCn3ccnc3)cc2o1
9481 COc1ccc2ccc(=O)oc2c1Cn1ccnc1
9482 O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
9483 COc1ccc2c(-c3ccccc3)c(Cn3ccnc3)c(=O)oc2c1
9484 COc1ccc2c(cc(=O)oc2c1)-c1ccncc1
9485 O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
9486 S=c1ccc2cc(Cn3ccnc3)ccc2o1
9487 C[C@]1(CCSC(N)=N1)c1cc(NC(=O)CCc2ccc(O)c(O)c2)ccc1F |r,c:6|
9488 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(F)cc1F |r|
9489 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(F)ccc1Cl |r|
9490 Clc1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1
9491 Clc1ccc(NC(=O)c2scnc2CCc2noc3ccccc23)cc1
9492 Clc1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
9493 Clc1ccc(NC(=O)c2scnc2CCc2ccnc3ccccc23)cc1
9494 Clc1ccc(NC(=O)c2scnc2CCc2ccc3ccccc3n2)cc1
9495 CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1
9496 CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2noc3ccccc23)cc1
9497 CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
9498 CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccnc3ccccc23)cc1
9499 CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccc3ccccc3n2)cc1
9500 CC(C)c1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1
9501 CC(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
9502 FC(F)(Cl)Oc1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1
9503 FC(F)(F)c1cccc(NC(=O)c2ccccc2NCc2ccncc2)c1
9504 O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1
9505 FC(F)(Cl)Oc1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
9506 Cc1cccc(NC(=O)c2scnc2CCc2cnoc2)c1
9507 Cc1cccc(NC(=O)c2scnc2CCc2ccncc2)c1
9508 Cc1ccccc1NC(=O)c1scnc1CCc1cnoc1
9509 Cc1ccccc1NC(=O)c1scnc1CCc1ccncc1
9510 O=C(Nc1ccc(cc1)N1CCOCC1)c1scnc1CCc1cnoc1
9511 O=C(Nc1ccc(cc1)N1CCOCC1)c1scnc1CCc1ccncc1
9512 Clc1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1Cl
9513 Clc1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1Cl
9514 FC(F)(F)c1cc(NC(=O)c2scnc2CCc2cnoc2)ccc1Cl
9515 FC(F)(F)c1cc(NC(=O)c2scnc2CCc2ccncc2)ccc1Cl
9516 Cc1ccc(NC(=O)c2scnc2CCc2cnoc2)c(F)c1
9517 Cc1ccc(NC(=O)c2scnc2CCc2ccncc2)c(F)c1
9518 O=C(Nc1ccc2OCOc2c1)c1scnc1CCc1ccncc1
9519 Brc1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
9520 O=C(Nc1ccc(cc1)-c1ccccc1)c1scnc1CCc1ccncc1
9521 O=C(Nc1ccc(Oc2ccccc2)cc1)c1scnc1CCc1ccncc1
9522 O=C(Nc1ccc(Cc2ccccc2)cc1)c1scnc1CCc1ccncc1
9523 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)c1
9524 FC(F)(F)c1cccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)c1
9525 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)c1
9526 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cc3ccccc3nc2CCc2ccncc2)c1
9527 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2cccnc2)c1
9528 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccccn2)c1
9529 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCCc2ccc3OCOc3c2)c1
9530 Fc1ccc(CCc2ncccc2-c2nnc(Nc3cccc(c3)C(F)(F)F)o2)cc1F
9531 FC(F)(F)c1cccc(Nc2nnc(o2)-c2ccncc2CCCc2ccc3OCOc3c2)c1
9532 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccc3[nH]ncc3c2)c1
9533 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccc3ccccc3n2)c1
9534 FC(F)(F)c1cccc(Nc2nnc(o2)-c2cccnc2CCc2cccc3ncccc23)c1
9535 C(Cc1ncccc1-c1nnc(Nc2cnc3ccccc3c2)o1)c1ccncc1
9536 C(Cc1nc2ccccc2cc1-c1nnc(Nc2cnc3ccccc3c2)o1)c1ccncc1
9537 CC(C)(C)c1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
9538 CC(C)c1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
9539 CC(C)(C)c1ccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)cc1
9540 CC(C)c1ccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)cc1
9541 CC(C)(C)c1ccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)cc1
9542 CC(C)(C)c1ccc(Nc2nnc(o2)-c2cc3ccccc3nc2CCc2ccncc2)cc1
9543 FC(F)(Cl)Oc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
9544 FC(F)(F)Oc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
9545 FC(F)(F)c1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1
9546 FC(F)(Cl)Oc1ccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)cc1
9547 FC(F)(F)Oc1ccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)cc1
9548 FC(F)(F)c1ccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)cc1
9549 FC(F)(Cl)Oc1ccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)cc1
9550 FC(F)(F)Oc1ccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)cc1
9551 FC(F)(F)c1ccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)cc1
9552 FC(F)(F)Oc1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)c1
9553 FC(F)(F)Oc1cccc(Nc2nnc(o2)-c2ccncc2CCc2ccncc2)c1
9554 FC(F)(F)Oc1cccc(Nc2nnc(o2)-c2cnccc2CCc2ccncc2)c1
9555 Cc1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)c1
9556 COc1cccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)c1
9557 COc1ccccc1Nc1nnc(o1)-c1cccnc1CCc1ccncc1
9558 Cc1ccccc1Nc1nnc(o1)-c1cccnc1CCc1ccncc1
9559 Clc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1Cl
9560 COc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1OC
9561 Cc1ccc(Nc2nnc(o2)-c2cccnc2CCc2ccncc2)cc1C(F)(F)F
9562 C(Cc1ncccc1-c1nnc(NCc2ccc3OCOc3c2)o1)c1ccncc1
9563 C(Cc1ncccc1-c1nnc(Nc2ccc(cc2)-c2ccccc2)o1)c1ccncc1
9564 O[C@@H]([C@H](COCc1ccccc1)OCc1ccccc1)[C@@H](O)[C@H](COCc1ccccc1)OCc1ccccc1 |r|
9565 O[C@@H]([C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](O)[C@H](COCc1ccccc1)OCc1ccccc1 |r|
9566 O[C@H]([C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](O)[C@H](COCc1ccccc1)OCc1ccccc1 |r|
9567 O[C@@H]([C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1 |r|
9568 O[C@H]([C@@H](COc1ccccc1)OCc1ccccc1)[C@H](O)[C@@H](COc1ccccc1)OCc1ccccc1 |r|
9569 O[C@H]([C@@H](Cc1ccccc1)OCc1ccccc1)[C@H](O)[C@@H](Cc1ccccc1)OCc1ccccc1 |r|
9570 O[C@@H](C[C@@H](COCc1ccccc1)OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 |r|
9571 O[C@H]([C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1 |r|
9572 Cc1ccc(COC[C@@H](OCc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 |r|
9573 O[C@@H]([C@H](O)[C@@H](COCc1ccc(cc1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F)[C@@H](COCc1ccc(cc1)C(F)(F)F)OCc1ccc(cc1)C(F)(F)F |r|
9574 O[C@@H]([C@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1 |r|
9575 O[C@H]([C@@H](COCc1ccc(cc1)C#N)OCc1ccc(cc1)C#N)[C@H](O)[C@@H](COCc1ccc(cc1)C#N)OCc1ccc(cc1)C#N |r|
9576 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1 |r|
9577 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1 |r|
9578 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1 |r|
9579 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1cccc(F)c1)[C@@H](COCc1ccccc1)OCc1cccc(F)c1 |r|
9580 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1F)[C@@H](COCc1ccccc1)OCc1ccccc1F |r|
9581 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F |r|
9582 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F |r|
9583 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(cc1)C(F)(F)F)[C@@H](COCc1ccccc1)OCc1ccc(cc1)C(F)(F)F |r|
9584 Cc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C)cc2)cc1 |r|
9585 O[C@H]([C@@H](COCc1ccccc1)OCc1ccc(cc1)C#N)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(cc1)C#N |r|
9586 COC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(cc2)C(=O)OC)cc1 |r|
9587 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(cc1)C(O)=O)[C@@H](COCc1ccccc1)OCc1ccc(cc1)C(O)=O |r|
9588 OCc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(CO)cc2)cc1 |r|
9589 NCc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(CN)cc2)cc1 |r|
9590 NC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(cc2)C(N)=O)cc1 |r|
9591 O[C@@H]([C@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1 |r|
9592 O[C@@H]([C@H](O)[C@@H](COCc1cccc(F)c1)OCc1ccccc1)[C@@H](COCc1cccc(F)c1)OCc1ccccc1 |r|
9593 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1)[C@@H](COCc1ccccc1F)OCc1ccccc1 |r|
9594 O[C@@H]([C@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1 |r|
9595 O[C@@H]([C@H](O)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1 |r|
9596 O[C@@H]([C@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1 |r|
9597 O[C@@H]([C@H](O)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1 |r|
9598 O[C@@H]([C@H](O)[C@@H](COCc1ccc(cc1)C(F)(F)F)OCc1ccccc1)[C@@H](COCc1ccc(cc1)C(F)(F)F)OCc1ccccc1 |r|
9599 Cc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 |r|
9600 O[C@H]([C@@H](COCc1ccc(cc1)C#N)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccc(cc1)C#N)OCc1ccccc1 |r|
9601 COC(=O)c1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(cc2)C(=O)OC)OCc2ccccc2)cc1 |r|
9602 O[C@@H]([C@H](O)[C@@H](COCc1ccc(cc1)C(O)=O)OCc1ccccc1)[C@@H](COCc1ccc(cc1)C(O)=O)OCc1ccccc1 |r|
9603 OCc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(CO)cc2)OCc2ccccc2)cc1 |r|
9604 Cc1ccccc1CO[C@H](COCc1ccccc1F)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C |r|
9605 O[C@@H]([C@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 |r|
9606 O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1 |r|
9607 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C |r|
9608 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CC(=O)OCc1ccccc1 |r|
9609 CC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9610 CCC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9611 CCCC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9612 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(N)=O |r|
9613 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NS(C)(=O)=O |r|
9614 CC(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9615 CC(=O)N[C@H](CSc1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9616 CC(=O)N[C@H](CSc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9617 CC(=O)N[C@H](CSc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9618 CC(=O)N[C@H](CS(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9619 CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9620 CC(=O)N[C@H](CS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9621 CC(=O)N[C@H](CS(=O)(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9622 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSCc1ccccc1)NS(C)(=O)=O |r|
9623 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc2ccccc2n1)NS(C)(=O)=O |r|
9624 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc2ccccc2c1)NS(C)(=O)=O |r|
9625 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccccc1)NS(C)(=O)=O |r|
9626 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1cccc2ccccc12)NS(C)(=O)=O |r|
9627 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccccn1)NS(C)(=O)=O |r|
9628 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(F)cc1)NS(C)(=O)=O |r|
9629 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CSc1ccc(cc1)C(F)(F)F)NS(C)(=O)=O |r|
9630 Cn1nnnc1SC[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9631 COc1ccc(SC[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)Cc2ccccc2C(=O)NC(C)(C)C)cc1 |r|
9632 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc2ccccc2c1)NS(C)(=O)=O |r|
9633 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccccc1)NS(C)(=O)=O |r|
9634 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1cccc2ccccc12)NS(C)(=O)=O |r|
9635 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccccn1)NS(C)(=O)=O |r|
9636 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(F)cc1)NS(C)(=O)=O |r|
9637 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc(cc1)C(F)(F)F)NS(C)(=O)=O |r|
9638 Cn1nnnc1S(=O)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9639 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccccc1)NS(C)(=O)=O |r|
9640 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2n1)NS(C)(=O)=O |r|
9641 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O |r|
9642 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccccc1)NS(C)(=O)=O |r|
9643 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc2ccccc12)NS(C)(=O)=O |r|
9644 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccccn1)NS(C)(=O)=O |r|
9645 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(F)cc1)NS(C)(=O)=O |r|
9646 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(cc1)C(F)(F)F)NS(C)(=O)=O |r|
9647 COc1ccc(cc1)S(=O)(=O)C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C |r|
9648 CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)NS(C)(=O)=O |r|
9649 COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1cc(Cl)ccc1F |r|
9651 CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCCN2)C(F)(F)F)s1
9652 CN1CCCC[C@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
9653 CC(C)(C)N(CCO)C(=O)c1ccccc1CC(O)CSc1ccccc1C(=O)N(CCO)C(C)(C)C
9654 CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cccc[n+]2[O-])C(F)(F)F)s1
9655 CN1CCN(C)[C@@H](COc2ccc(cc2C(=O)\N=c2/sc(cn2C[C@H]2CCCO2)C(C)(C)C)C(F)(F)F)C1
9656 CCCC(CC)(CC)N(CCO)C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C
9657 CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)Cc1ccccc1
9658 CC(=O)N1CCC[C@@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
9659 CC(C)(C)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1
9660 [H][C@@]12CCC[C@@]1(CCCC2)N(CCO)C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C |r|
9661 Cc1ccc(CCC(O)Cc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)C
9662 Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1
9663 Cc1ccc(CC(O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(c1)C(=O)N(CCO)C(C)(C)c1ccccc1
9664 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccccc1
9665 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C1(CCCC1)c1ccccc1
9666 CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1
9667 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)C1CCOCC1
9668 CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@H]2CCC[N+]2(C)[O-])C(F)(F)F)s1
9669 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC1COC(C)(C)OC1)C(C)(C)c1ccccc1
9670 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC(CO)CO)C(C)(C)c1ccccc1
9671 CCN(C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1
9672 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCC(O)CO)C(C)(C)c1ccccc1 |w:36.39|
9673 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(O)cc1
9674 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCc2cccnc2)cc1
9675 CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CCO)C(C)(C)c1ccc(OCCN2CCOCC2)cc1
9676 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9677 CCCC(NC(=O)[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9678 CCC[C@H](NC(=O)[C@@H]1CC(C)(C)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9679 CCCC(NC(=O)[C@@H]1C[C@]2(CCCC2)CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9680 CCCC(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)SCCS2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9681 CCCC(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)SCCCS2)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9682 CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)SC(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9683 CCCC(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)OC(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9684 CCCC(NC(=O)[C@@H]1[C@H]2CC(C)(C)O[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9685 CCCC(NC(=O)[C@@H]1[C@H]2CC(C)(C)C[C@H]2CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9686 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9687 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9688 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9689 CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9690 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CCC(F)(F)F)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)c1ccccc1 |r|
9691 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)c1ccccc1 |r|
9692 CCCC(NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(O)=O |r|
9693 CCCC(NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9694 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(N)=O |r|
9695 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)OCc1ccccc1 |r|
9696 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(O)=O |r|
9697 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
9698 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r|
9699 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9700 CCCC(NC(=O)[C@@H]1Cc2ccc3OCCCCCCC(=O)N[C@@H](C4CCCCC4)C(=O)N1Cc2c3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9701 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CC(=O)OC)C(=O)OC |r|
9702 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CC([O-])=O)C([O-])=O |r|
9703 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CCC(=O)OCC)C(=O)OC |r|
9704 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CCC([O-])=O)C([O-])=O |r|
9705 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)OC |r|
9706 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C([O-])=O |r|
9707 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O |r|
9708 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CCCC(O)=O)C(N)=O |r|
9709 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CCO)C(N)=O |r|
9710 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](COCc1ccccc1)C(N)=O |r|
9711 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)(C)C |r|
9712 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](C1CCCCC1)C(N)=O |r|
9713 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(N)=O |r|
9714 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CC1CCCCC1)C(N)=O |r|
9715 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](CCc1ccccc1)C(N)=O |r|
9716 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
9717 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
9718 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1 |r|
9719 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1 |r|
9720 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](COC(C)(C)C)C(N)=O |r|
9721 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O |r|
9722 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
9723 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](C1CCNCC1)C(O)=O |r|
9724 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
9725 CCCC[C@H](NC(=O)CNC(=O)C(=O)C(CCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(N)=O |r|
9726 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](C1CCCC1)C(O)=O |r|
9727 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(N)=O)c1ccccc1 |r|
9728 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r|
9729 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9730 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OCc1ccccc1)c1ccccc1 |r|
9731 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9732 CCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
9733 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
9734 CCCC(NC(=O)[C@@H]1CNC(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9735 CCCC(NC(=O)[C@@H]1CNC(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9736 CCCC(NC(=O)[C@@H]1CN(CC(=O)OCC)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9737 CCCC(NC(=O)[C@@H]1CN(CC(=O)OCC)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9738 CCCC(NC(=O)[C@@H]1CN(CC(=O)OCC)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9739 CCCC(NC(=O)[C@@H]1CN(CC(=O)OCC)C(=O)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9740 CCCC(NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9741 CCCC(NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC=C |r|
9742 CCCC(NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)OCC=C |r|
9743 CCCC(NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)OCC=C |r|
9744 CCCC(NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)OCC=C |r|
9745 CCCC(NC(=O)[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(C)C)C(C)C)C(=O)C(=O)NCC(=O)OCC=C |r|
9746 CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(N)=O |r,TLB:14:13:10.9:12|
9747 CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC=C |r,TLB:14:13:10.9:12|
9748 CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)OCc1ccccc1 |r,TLB:14:13:10.9:12,THB:5:7:10.9:12|
9749 CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(O)=O |r,TLB:14:13:10.9:12|
9750 CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:14:13:10.9:12|
9751 CCCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13|
9752 CC(C)CC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13|
9753 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:30:29:26.25:28,THB:21:23:26.25:28|
9754 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:31:30:27.26:29|
9755 CCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:14:13:10.9:12|
9756 CCCCC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13,THB:6:8:11.10:13|
9757 CC(C)CC(NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r,TLB:15:14:11.10:13,THB:6:8:11.10:13|
9758 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:30:29:26.25:28|
9759 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:31:30:27.26:29|
9760 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:30:29:26.25:28,THB:21:23:26.25:28|
9761 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:30:29:26.25:28|
9762 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)c1ccccc1 |r,TLB:31:30:27.26:29|
9763 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CCC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)c1ccccc1 |r,TLB:31:30:27.26:29|
9764 CC(C)CN([C@@H](CCCCNC(=O)c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9765 CC(C)CN([C@@H](CCCCNC(=O)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9766 CC(C)CN([C@@H](CCCCNC(=O)CCc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9767 CC(C)CN([C@@H](CCCCNC(=O)CCCc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9768 CC(C)CN([C@@H](CCCCNC(=O)\C=C\c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9769 CC(C)CN([C@@H](CCCCNC(=O)C1CC1c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9770 CC(C)CN([C@@H](CCCCNC(=O)C(c1ccccc1)c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9771 CC(C)CN([C@@H](CCCCNC(=O)C(Cc1ccccc1)C(C)(C)C)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9772 CC(C)CN([C@@H](CCCCNC(=O)OCc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9773 CC(C)CN([C@@H](CCCCNC(=O)COc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9774 CC(C)CN([C@@H](CCCCNC(=O)[C@@H](O)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9775 CC(C)CN([C@@H](CCCCNC(=O)C(=O)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9776 CC(C)CN([C@@H](CCCCNC(=O)CSc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9777 CC(C)CN([C@@H](CCCCNC(=O)CS(=O)(=O)c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9778 CC(C)CN([C@@H](CCCCNC(=O)CNc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9779 CC(C)CN([C@@H](CCCCNC(=O)NCc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9780 CC(C)CN([C@@H](CCCCNC(=O)CN(C)c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9781 CC(C)CN([C@@H](CCCCNC(=O)N(C)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9782 CC(C)CN([C@@H](CCCCNC(=O)CN(Cc1ccccc1)c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9783 CC(C)CN([C@@H](CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9784 CC(C)CN([C@@H](CCCCNC(=O)[C@@H](N)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9785 CN[C@@H](Cc1ccccc1)C(=O)NCCCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r|
9786 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9787 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9788 CC(C)CN([C@H](CO)CCCCNC(=O)CN(CCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9789 CC(C)CN([C@H](CO)CCCCNC(=O)CN(C(C)C)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9790 CC(C)CN([C@H](CO)CCCCNC(=O)CN(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9791 COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 |r|
9792 COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)cc1 |r|
9793 COc1cccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC |r|
9794 COc1cccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)c1OC |r|
9795 COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1OC |r|
9796 COc1ccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c2ccccc2)cc1OC |r|
9797 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccc(cc1)N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9798 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(c1)N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9799 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(c1)N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9800 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9801 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1N(=O)=O)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9802 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1F)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9803 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccc(F)cc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9804 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(F)c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9805 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(N)c1)c1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9806 CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(N)c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9807 CC(C)(O)CCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
9808 CC(C)CN([C@@H](CCCCNC(=O)NCCc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9809 CC(C)CN([C@@H](CCCCNC(=O)NCc1ccccn1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9810 CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCCC\N=C\OC2CCCCO2)C(F)(F)F)s1
9811 CC(C)CN([C@@H](CCCCNC(=O)N(CCc1ccccc1)Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9812 Clc1ccc(OCCCC(=O)NN\C=C2/C=CC=CC2=O)c(Cl)c1 |c:15,17|
9813 CC(C)CN([C@@H](CCCCNC(=O)N(Cc1ccccc1)C(C)C)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9814 CC(C)CN([C@@H](CCCCNC(=O)N(Cc1ccccc1)Cc1ccncc1)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9815 CC(C)CN([C@@H](CCCCNC(=O)N(C(C)C)C(C)C)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9816 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 |r|
9817 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9818 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccnc1)S(=O)(=O)c1ccc(N)cc1 |r|
9819 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccncc1)S(=O)(=O)c1ccc(N)cc1 |r|
9820 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9821 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2OCOc12)S(=O)(=O)c1ccc(N)cc1 |r|
9822 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(N)cc1 |r|
9823 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(N)cc1 |r|
9824 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9825 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9826 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccsc1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9827 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(cc1)N(=O)=O)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9828 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9829 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9830 COc1ccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 |r|
9831 CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9832 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
9833 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1cccc2OCOc12)S(=O)(=O)c1ccc(N)cc1 |r|
9834 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9835 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1cccs1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9836 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc(cc1)N(=O)=O)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9837 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9838 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc(cc1)C(F)(F)F)Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9839 COc1ccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 |r|
9840 COc1cccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)c1 |r|
9841 COc1cccc(CN(Cc2ccc3OCOc3c2)C(=S)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)c1 |r|
9842 CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
9843 COc1ccc(CN(Cc2ccc3OCOc3c2)C(=S)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1 |r|
9844 COc1ccc(CN(Cc2ccc3OCOc3c2)C(=O)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1OC |r|
9845 COc1ccc(CN(Cc2ccc3OCOc3c2)C(=S)NCCCC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1OC |r|
9846 CC(C)CCN([C@H](CO)CCCCNC(=O)N(Cc1ccc(F)cc1)Cc1ccc2OCCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9847 CC(C)CCN([C@H](CO)CCCCNC(=S)N(Cc1ccc(F)cc1)Cc1ccc2OCCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
9848 CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O |r|
9849 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O |r|
9850 CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9851 OC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
9852 Cc1ccc(cc1)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9853 Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9854 Cc1ccc(cc1)S(=O)(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9855 OC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
9856 Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9857 CC(C)CN(CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9858 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9859 CC(C)CN([C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9860 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9861 CCC(CC)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9862 CCC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9863 Cc1ccc(cc1)S(=O)(=O)N(CC1CC1)[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9864 Cc1ccc(cc1)S(=O)(=O)N(CC1CCCC1)[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O |r|
9865 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccccc1 |r|
9866 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)C(=O)c1ccccc1 |r|
9867 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(cc1)C(C)(C)C |r|
9868 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1cccc2ccccc12 |r|
9869 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
9870 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1cccs1 |r|
9871 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(cc1)N(=O)=O |r|
9872 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(N)cc1 |r|
9873 CC(C)CN([C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9874 CC(C)CN([C@@H](CCCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9875 CC(C)CN([C@@H](CCNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9876 CC(C)CN([C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9877 CC(C)CN([C@@H](CCCCNC(=O)CC1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9878 CC(C)CN([C@@H](CCCCNC(=O)C1c2ccccc2-c2ccccc12)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9879 CC(C)CN([C@@H](CCCCNC(=O)OC(C)(C)C)C(O)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9880 CC(C)(C)CO\C=N\CCCOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
9881 COC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)N(CC(C)C)S(=O)(=O)c1ccc(C)cc1 |r|
9882 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C=O)S(=O)(=O)c1ccc(C)cc1 |r|
9883 CC(C)CN([C@H](CO)CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
9884 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=O)S(=O)(=O)c1ccc(C)cc1 |r|
9885 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=S)S(=O)(=O)c1ccc(C)cc1 |r|
9886 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(N)=N)S(=O)(=O)c1ccc(C)cc1 |r|
9887 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NO)S(=O)(=O)c1ccc(C)cc1 |r|
9888 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NN)S(=O)(=O)c1ccc(C)cc1 |r|
9889 CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)c1nnn[nH]1)S(=O)(=O)c1ccc(C)cc1 |r|
9890 CC(C)CN([C@H](CN)CCCCNC(=O)OCC1c2ccccc2-c2ccccc12)S(=O)(=O)c1ccc(C)cc1 |r|
9891 COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1ccnc1
9892 COc1ccc(cc1)-c1c(oc2cc(OC)ccc2c1=O)-n1ccnc1
9893 O=c1c(-c2ccccc2)c(oc2cc(OCc3ccccc3)ccc12)-n1ccnc1
9894 COc1ccc(cc1)-c1c(oc2cc(OCc3ccccc3)ccc2c1=O)-n1ccnc1
9895 COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)-n1cncn1
9896 COc1ccc2c(c1)oc(Sc1ncc[nH]1)c(-c1ccccc1)c2=O
9897 COc1ccc2c(c1)oc(Sc1nccn1C)c(-c1ccccc1)c2=O
9898 COc1ccc2c(c1)oc(Sc1nnc[nH]1)c(-c1ccccc1)c2=O
9899 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccc3N(=O)=O)ccc12
9900 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc(c3)N(=O)=O)ccc12
9901 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)N(=O)=O)ccc12
9902 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
9903 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc4ccccc4c3)ccc12
9904 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCCc3ccccc3)ccc12
9905 COc1ccccc1COc1ccc2c(c1)oc(SCc1ccncc1)c(-c1ccccc1)c2=O
9906 COc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
9907 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCC3CCCCC3)ccc12
9908 Fc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
9909 Brc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
9910 Clc1ccc(COc2ccc3c(c2)oc(SCc2ccncc2)c(-c2ccccc2)c3=O)cc1
9911 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccc(cc3)-c3ccccc3)ccc12
9912 O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3ccccn3)ccc12
9913 NC(=O)C1Cc2cc(\C=C\C(=O)N3CCC(COc4ccc(F)cc4)CC3)cnc2NC1=O
9914 O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
9915 O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)N(=O)=O)n1ccnc1 |r|
9916 Brc1ccc(cc1)[C@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
9917 Brc1ccc(cc1)[C@@H](c1coc2ccccc2c1=O)n1ccnc1 |r|
9918 O=c1c(coc2ccccc12)[C@@H](c1ccc(cc1)C#N)n1ccnc1 |r|
9919 O=c1c(coc2ccccc12)[C@H](c1ccc(cc1)C#N)n1ccnc1 |r|
9920 N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
9921 C1Cc2c(ccc3cccc1c23)-c1cccnc1
9922 C1Cc2ccc(-c3cccnc3)c3cccc1c23
9923 CCCC(NC(=O)[C@H](CC1SCCS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9924 CCCC(NC(=O)[C@H](CC1SCCCS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9925 CCCC(NC(=O)[C@H](CC1SCc2ccccc2CS1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9926 CCCC(NC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9927 CCCC(NC(=O)[C@H](CC1OCCCO1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9928 CCCC(NC(=O)[C@H](CCC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9929 CCCCC[C@H](NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)NC(CCC)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9930 CCCC(NC(=O)[C@H](CC1CCC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9931 CCCC(NC(=O)[C@H](CC1CC1)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9932 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9933 CC(C)COC(=O)N[C@H]([C@@H](O)CC(=O)N[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1)C1CCCCC1 |r|
9934 CC(C)COC(=O)N[C@H]([C@@H](O)CN(CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1)C1CCCCC1 |r|
9935 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)CN(CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9936 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)NN(CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9937 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N(C)[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
9938 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N(C)[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9939 CC(C)COC(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC1CC1)C(=O)NC(CC1CC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
9940 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
9941 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
9942 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
9943 CCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
9944 CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
9945 CCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
9946 CCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
9947 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:18,t:22|
9948 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:19,t:23|
9949 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:20,t:24|
9950 CCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:21,t:25|
9951 CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:22,t:26|
9952 CCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:23,t:27|
9953 CCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)C=CC(=O)C=C12 |r,c:24,t:28|
9954 CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O |c:12,t:8|
9955 C[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
9956 CC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
9957 CCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
9958 CCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
9959 CCCCCCCC[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
9960 C[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
9961 CC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
9962 CCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
9963 CCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
9964 CCCCCCCC[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
9965 CC12CCC3C(C[C@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
9966 CC(=O)O[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
9967 CO[C@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
9968 CC12CCC3C(C[C@@H](O)C4=CCCCC34C)C1CCC2=O |r,t:9|
9969 CC(=O)O[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:24|
9970 CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
9971 C[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
9972 CC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
9973 CCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
9974 CCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
9975 CCCCCCCC[C@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
9976 C[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:21|
9977 CC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
9978 CCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:23|
9979 CCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:25|
9980 CCCCCCCC[C@@H]1CC2C3CCC(O)C3(C)CCC2C2(C)CCCC=C12 |r,t:28|
9981 CC12CCC3C(CCC4=CCCCC34C)C1CCC2=O |t:8|
9982 CC12CCC3C(CCC4=CCCCC34C)C1CC[C@@H]2O |r,t:8|
9983 C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34C)C1CCC2=O |r,t:7|
9984 CC(=O)O[C@@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24|
9985 C[C@]12CCC3C(CC=C4[C@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7|
9986 CC(=O)O[C@@H]1CCC[C@]2(CO)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:25|
9987 C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34C)C1CCC2=O |r,t:7|
9988 CC(=O)O[C@H]1CCC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:24|
9989 C[C@]12CCC3C(CC=C4[C@@H](O)CCC[C@]34CO)C1CCC2=O |r,t:7|
9990 CO[C@H]1CCC[C@]2(CO)C3CC[C@@]4(C)C(CCC4=O)C3CC=C12 |r,t:23|
9991 COC[C@]12CCC[C@H](O)C1=CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:10|
9992 C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9|
9993 C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9|
9994 C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34C)C1CCC2=O |r,t:9|
9995 C[C@]12CCC3C(C[C@@H](O)C4=CCCC[C@]34CO)C1CCC2=O |r,t:9|
9996 C[C@]12CCC3C(CCC4=CCCC[C@]34C)C1CCC2=O |r,t:8|
9997 C[C@]12CCC3C(CCC4=CCCC[C@]34CO)C1CCC2=O |r,t:8|
9998 C[C@]12CCC3C(CC=C4CCCC[C@]34C)C1CCC2=O |r,t:7|
9999 C[C@]12CCC3C(CC=C4CCCC[C@]34CO)C1CCC2=O |r,t:7|
10000 COc1ccc2cc(oc2c1)C(O)(c1ccc(F)cc1)c1cccnc1
10001 COc1ccc2cc(oc2c1)C(O)(c1ccc(Cl)cc1)c1cccnc1
10002 COc1ccc(cc1)C(O)(c1cc2ccc(OC)cc2o1)c1cccnc1
10003 COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1ccnc1
10004 COc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1
10005 COc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
10006 COc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1
10007 COc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
10008 COc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1
10009 COc1ccc2cc(oc2c1)C(c1ccc(C)cc1)n1cncn1
10010 COc1ccc2cc(oc2c1)C(c1ccc(cc1)C(F)(F)F)n1cncn1
10011 CCc1ccc(cc1)C(c1cc2ccc(OC)cc2o1)n1cncn1
10012 Oc1ccc2cc(oc2c1)C(c1ccc(Cl)cc1)n1cncn1
10013 Oc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
10014 Oc1ccc2cc(oc2c1)C(c1ccc(cc1)N(=O)=O)n1cncn1
10015 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N
10016 Brc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
10017 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
10018 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
10019 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
10020 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
10021 NS(=O)(=O)Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
10022 CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O
10023 C1CC(c2cccnc2C1)n1ccnc1
10024 C(C1CCCc2ncccc12)n1ccnc1
10025 C(C1=CCCc2ncccc12)n1ccnc1 |t:1|
10026 C(Cn1ccnc1)C1CCCc2ncccc12
10027 C(Cn1ccnc1)C1=CCCc2ncccc12 |t:8|
10028 C(Cn1ccnc1)c1cccc2ncccc12
10029 C(Cn1ccnc1)C1CCCc2ccccc12
10030 C(CC1CCCc2ncccc12)Cn1ccnc1
10031 C(CC1=CCCc2ncccc12)Cn1ccnc1 |t:2|
10032 C(Cn1ccnc1)C1CCCc2occc12
10033 C(Cn1ccnc1)C1CCCc2sccc12
10034 C(\C=C1/CCCc2occc12)n1ccnc1
10035 C(\C=C1\CCCc2occc12)n1ccnc1
10036 C(\C=C1/CCCc2sccc12)n1ccnc1
10037 C(\C=C1\CCCc2sccc12)n1ccnc1
10038 C(Cn1ccnc1)c1cccc2sccc12
10039 C1CC(c2ncccc2C1)n1ccnc1
10040 c1cn(cn1)-c1ccc2cnccc2c1
10041 C(c1ccc2ccncc2c1)n1ccnc1
10042 CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
10043 CS[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:7,t:22|
10044 CSC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:8|
10045 CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24|
10046 CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:9|
10047 CCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
10048 CSCCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
10049 CN(C)CC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
10050 COCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:9,t:24|
10051 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCI)C1CCC2=O |r,c:3,t:8|
10052 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCOS(C)(=O)=O)C1CCC2=O |r,c:3,t:8|
10053 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CC[Se]c3ccccc3)C1CCC2=O |r,c:3,t:8|
10054 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSc3ccccc3)C1CCC2=O |r,c:3,t:8|
10055 CC(=O)SCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26|
10056 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCO)C1CCC2=O |r,c:3,t:8|
10057 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCCl)C1CCC2=O |r,c:3,t:8|
10058 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCS)C1CCC2=O |r,c:3,t:8|
10059 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC(F)F)C1CCC2=O |r,c:3,t:8|
10060 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccc(cc3N(=O)=O)N(=O)=O)C1CCC2=O |r,c:3,t:8|
10061 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC#C)C1CCC2=O |r,c:3,t:8|
10062 CSCSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:11,t:26|
10063 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC=C)C1CCC2=O |r,c:3,t:8|
10064 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC=C)C1CCC2=O |r,c:3,t:8|
10065 CSSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21 |r,c:10,t:25|
10066 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSSc3ccccc3)C1CCC2=O |r,c:3,t:8|
10067 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC3CC3)C1CCC2=O |r,c:3,t:8|
10068 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#C)C1CCC2=O |r,c:3,t:8|
10069 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCF)C1CCC2=O |r,c:3,t:8|
10070 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSC#N)C1CCC2=O |r,c:3,t:8|
10071 CSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SC |r,c:9,t:24|
10072 CCSC(C[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CC=C21)SCC |r,c:10,t:25|
10073 COc1cc[nH]c1\C=C1/C(=O)Nc2ccccc12
10074 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)cc12
10075 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(OC)cc12
10076 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(cc12)N(=O)=O
10077 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(c12)-n1ccnc1)N(=O)=O
10078 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCNC(C3)C(N)=O)c12)N(=O)=O
10079 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(C3)C(N)=O)c12)N(=O)=O
10080 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](C3)C(N)=O)c12)N(=O)=O |r|
10081 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](O)C3)c12)N(=O)=O |r|
10082 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)N(=O)=O |r|
10083 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(O)C3)c12)N(=O)=O
10084 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(O)CC3)c12)N(=O)=O
10085 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCCC(CO)C3)c12)N(=O)=O
10086 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)CC3)c12)N(=O)=O |r,wU:18.18,wD:21.22,(-1.62,8.42,;-2.28,7.03,;-1.41,5.77,;.13,5.72,;.56,4.25,;-.71,3.38,;-1.93,4.31,;-3.43,3.99,;-3.91,2.53,;-3,1.28,;-1.46,1.28,;-3.91,.04,;-5.37,.51,;-6.71,-.26,;-8.04,.51,;-8.04,2.05,;-6.71,2.82,;-6.71,4.36,;-7.8,5.45,;-9.34,5.5,;-10.06,6.86,;-9.25,8.17,;-9.98,9.52,;-7.71,8.12,;-6.99,6.76,;-5.37,2.05,;-9.38,2.82,;-9.38,4.36,;-10.71,2.05,)|
10087 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](O)C3)c12)N(=O)=O |r|
10088 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N[C@H]3CC[C@H](N)C3)c12)N(=O)=O |r|
10089 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(NC3CCNCC3)c12)N(=O)=O
10090 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CCC(N)CC3)c12)N(=O)=O
10091 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@@H](N)C3)c12)N(=O)=O |r|
10092 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](C3)NC=O)c12)N(=O)=O |r|
10093 COc1cc(ccc1Nc1ncc(c(Oc2cccc3CCC(=O)c23)n1)C(F)(F)F)C(=O)NC1CCN(CC1)C1CCOCC1
10094 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(I)c12
10095 CNCC#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F
10096 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](C)O)c12 |r|
10097 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](C)O)c12 |r|
10098 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC(O)CN)c12
10099 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](N)CO)c12 |r|
10100 CN[C@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r|
10101 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)CO)c12 |r|
10102 CN[C@@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r|
10103 CCN[C@@H](CO)C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F |r|
10104 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@H](CO)NCCO)c12 |r|
10105 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](N)[C@@H](C)O)c12 |r|
10106 CN[C@H](C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F)[C@@H](C)O |r|
10107 CCN[C@H](C#Cc1c2\C(=C\c3[nH]ccc3OC)C(=O)Nc2ccc1F)[C@@H](C)O |r|
10108 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](NS(C)(=O)=O)[C@@H](C)O)c12 |r|
10109 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c12 |r|
10110 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCOCC3)c12
10111 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c12
10112 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3CCCN3)c12 |r|
10113 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@@H](O)CN3)c12 |r|
10114 COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@H](O)CN3)c12 |r|
10115 COc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10116 CCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10117 OCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10118 NCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10119 OCCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10120 CC(=O)OCCCOc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10121 OCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10122 NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10123 NCCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10124 CC(C)(N)CNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10125 CCN(CC)CCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10126 CC(=O)NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10127 CC(C)(C)OC(=O)NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10128 OCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10129 NCCSc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10130 Fc1ccc2NC(=O)c3c(cc(S[C@@H]4CCCN4)c1c23)-c1ccc[nH]1 |r|
10131 Fc1ccc2NC(=O)c3c(cc(S[C@H]4CCNC4)c1c23)-c1ccc[nH]1 |r|
10132 NCCS(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10133 OCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10134 NCCS(=O)(=O)c1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10135 Fc1ccc2NC(=O)c3c(ccc1c23)-c1ccc[nH]1
10136 Cc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10137 CCc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10138 CC(C)Cc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10139 Fc1ccc2NC(=O)c3c(cc(CCC#N)c1c23)-c1ccc[nH]1
10140 NCCCc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
10141 COC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10142 COC(=O)N[C@H](C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)c1ccccc1 |r|
10143 COC(=O)N[C@@H](CCc1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10144 COC(=O)N1Cc2ccccc2C=C1C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |c:13|
10145 CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
10146 COC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10147 COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10148 COC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10149 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10150 COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10153 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10154 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10155 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)C1CC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10156 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)C1CCCCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10157 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10158 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)N(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10159 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10160 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10161 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10162 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10163 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10164 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10165 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10166 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(C)nc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10167 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ncccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10168 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(N)nc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10169 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10170 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)Cc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10171 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10172 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10173 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10174 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10175 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccc(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10176 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10177 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(c(O)c1)N(=O)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10178 CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)c(c1)N(=O)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
10179 COc1cc(ccc1O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
10180 COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3C(C)C(C)C(=O)c23)n1 |r|
10181 CC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10182 CCC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10183 CCCC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10184 CC(C)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10185 CC(C)CC(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10186 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)Cc1ccccc1)C=O |r|
10187 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C1CCCC1)C=O |r|
10188 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O |r|
10189 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1F)C=O |r|
10190 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(F)c1)C=O |r|
10191 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccc(F)cc1)C=O |r|
10192 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1Cl)C=O |r|
10193 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccc(Cl)c1)C=O |r|
10194 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccc(Cl)cc1)C=O |r|
10195 Cc1ccccc1C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10196 Cc1cccc(c1)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10197 Cc1ccc(cc1)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10198 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1cccs1)C=O |r|
10199 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccsc1)C=O |r|
10200 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccccc1)c1ccccc1)C=O |r|
10201 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)cc1)c1ccccc1)C=O |r|
10202 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)C(O)=O)c1ccccc1)C=O |r|
10203 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nnn[nH]1)c1ccccc1)C=O |r|
10204 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nc(=O)s[nH]1)c1ccccc1)C=O |r|
10205 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1cccc(c1)-c1nc(=O)o[nH]1)c1ccccc1)C=O |r|
10206 Cn1c(noc1=O)-c1cccc(c1)S(=O)(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1ccccc1 |r|
10207 OC(=O)C[C@H](NC(=O)C(CCCCNC(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C=O |r|
10208 CSCC(=O)[C@H](CC(O)=O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1 |r|
10209 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C(=O)CSCc1ccccc1Cl |r|
10210 OC(=O)C[C@H](NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1)C(=O)c1ncc(o1)-c1c(Cl)cccc1Cl |r|
10211 COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)c1ccccc1 |r|
10212 OC(=O)C[C@H](NC(=O)Cc1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C=O |r|
10213 CCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1 |r|
10214 OC(=O)C[C@H](NC(=O)C(c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)c1ccccc1)C=O |r|
10215 FC(F)(F)c1cccc(c1)-c1csc(n1)C1COc2ccccc2O1
10216 CCOC(=O)c1csc(n1)C1COc2ccccc2O1
10217 O=C(NCc1ccco1)c1csc(n1)C1COc2ccccc2O1
10218 O=C(Oc1ccccc1)c1csc(n1)C1COc2ccccc2O1
10219 O=C(Sc1cccs1)c1csc(n1)C1COc2ccccc2O1
10220 OC(=O)c1csc(n1)C1COc2ccccc2O1
10221 CN(C)C(=O)c1csc(n1)C1COc2ccccc2O1
10222 Clc1ccc(OC(=O)c2csc(n2)C2COc3ccccc3O2)cc1
10223 CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1
10224 O=C(N1CCOCC1)c1csc(n1)C1COc2ccccc2O1
10225 Cc1nc(sc1C(O)=O)C1COc2ccccc2O1
10226 FC(F)(F)Oc1cccc(c1)-c1cc(NC(=O)[C@@H]2CNC(=O)C2)nn1-c1cccc(OCc2ccccc2)c1 |r|
10227 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3)cnc12
10228 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccnc(C)c3)cnc12
10229 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3ccncc3C)cnc12
10230 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
10231 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3cncnc3)cnc12
10232 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3nc(C)cc(C)n3)cnc12
10233 CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3nc4ccccc4o3)cnc12
10234 CCN1c2nc(F)cc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
10235 CCN1c2nccc(C)c2NC(=O)c2cc(CSc3cc(C)nc(C)c3)cnc12
10236 Cc1cc(SCc2cnc3N(C4CC4)c4nc(Cl)cc(C)c4NC(=O)c3c2)cc(C)n1
10237 Fc1cccc(F)c1Cn1c2cc(Cl)ccc2[nH]c1=O
10238 Fc1cccc(F)c1Cn1c2ccc(Cl)cc2[nH]c1=O
10239 Fc1cccc(F)c1Cn1c2cc(Cl)ccc2oc1=O
10240 Clc1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2c1
10241 CC(C)c1ccc(Cn2c3cc(Cl)ccc3[nH]c2=O)cc1
10242 Clc1ccc2[nH]c(=O)n(Cc3cccc4ccccc34)c2c1
10243 Clc1ccc2[nH]c(=O)n(Cc3ccc4ccccc4c3)c2c1
10244 Clc1ccc2[nH]c(=O)n(CC3CCCCC3)c2c1
10245 Fc1cccc(F)c1C1SCc2nc3ccccc3n12
10246 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10247 O=C1NC(=O)c2ccccc2C1=O
10248 CN1C(=O)C(=O)c2ccccc2C1=O
10249 C=CCN1C(=O)C(=O)c2ccccc2C1=O
10250 O=C1N(Cc2ccccc2)C(=O)c2ccccc2C1=O
10251 O=C1N(CCc2ccccc2)C(=O)c2ccccc2C1=O
10252 COc1ccc(CN2C(=O)C(=O)c3ccccc3C2=O)cc1
10253 Fc1ccc(CN2C(=O)C(=O)c3ccccc3C2=O)cc1
10254 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1
10255 COc1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
10256 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccc(cc1)N(=O)=O
10257 Clc1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
10258 CC(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
10259 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)C1CC1
10260 Fc1ccc(cc1)C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
10261 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)c1cccc(c1)N(=O)=O
10262 COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
10263 O=C(Nc1cccc2C(=O)NC(=O)C(=O)c12)OCc1ccccc1
10264 CC(=O)OC(C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c1ccccc1
10265 O=C(Cc1ccc(cc1)N(=O)=O)Nc1cccc2C(=O)NC(=O)C(=O)c12
10266 Fc1ccc(CC(=O)Nc2cccc3C(=O)NC(=O)C(=O)c23)cc1
10267 O=C(Cc1ccccc1)Nc1cccc2C(=O)NC(=O)C(=O)c12
10268 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1ccccc1
10269 COc1ccccc1C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10270 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1ccc(cc1)N(=O)=O
10271 Clc1ccccc1C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10272 CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10273 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)C1CCCCC1
10274 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1ccccc1N(=O)=O
10275 O=C(Nc1ccc2C(=O)NC(=O)C(=O)c2c1)c1cccc(c1)N(=O)=O
10276 COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10277 ClCCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10278 ClCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10279 ClCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10280 OC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10281 OC(=O)CCCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10282 CCCNC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10283 C=CCNC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10284 O=C(CCC(=O)N1CCCCC1)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10285 O=C(CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1)NCc1ccccc1
10286 O=C(CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1)Nc1ccccc1
10287 COc1ccccc1NC(=O)CCC(=O)Nc1ccc2C(=O)NC(=O)C(=O)c2c1
10288 COc1ccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)cc1
10289 COc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
10290 Fc1ccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)cc1
10291 CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
10292 CCCOc1cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2)c1
10293 O=C(Nc1ccc2C(=O)C(=O)NC(=O)c2c1)c1ccccc1
10294 COc1ccccc1C(=O)Nc1ccc2C(=O)C(=O)NC(=O)c2c1
10295 O=C(Nc1ccc2C(=O)C(=O)NC(=O)c2c1)c1ccc(cc1)N(=O)=O
10296 Clc1ccccc1C(=O)Nc1ccc2C(=O)C(=O)NC(=O)c2c1
10297 CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
10298 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
10299 O=C1Nc2ccc(cc2C1=O)N(=O)=O
10300 CN1C(=O)C(=O)c2cc(ccc12)C([O-])=O
10301 COC(=O)c1ccc2N(C)C(=O)C(=O)c2c1
10302 CN1C(=O)C(=O)c2cc(I)ccc12
10303 CN1C(=O)C(=O)c2cc(ccc12)C#N
10304 CN1C(=O)C(=O)c2ccccc12
10305 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
10306 COC[C@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
10307 COCCN(C)S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
10308 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC1
10309 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
10310 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCCC1
10311 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCCCC1
10312 COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
10313 CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
10314 CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
10315 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r|
10316 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1 |r|
10317 O=C(Nc1ccccc1)[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
10318 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10319 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CSc1ccccc1 |r|
10320 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10321 C=CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10322 O=C1N(CC2CCCCC2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10323 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10324 CC(C)(C)OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10325 OC(=O)CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10326 O=C1N(Cc2ccncc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
10327 C[C@@H](OCc1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1)C(F)(F)F |r|
10328 CC(C)(C)C(=O)c1cccc(c1)-c1cc(NC(=O)[C@H]2CNC(=O)C2)nn1-c1ccccc1 |r|
10330 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
10331 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
10332 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
10333 CC(=O)Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
10334 Oc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cc1 |r|
10335 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)cn1 |r|
10336 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)ccn1 |r|
10337 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2ccccc2)n1 |r|
10338 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
10339 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
10340 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
10341 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
10342 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
10343 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cc1 |r|
10344 Fc1ccccc1CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CC[C@H]1COc1ccccc1 |r|
10345 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cn1 |r|
10346 Fc1cc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)ccn1 |r|
10347 Fc1cccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)n1 |r|
10348 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
10349 CN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
10350 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r|
10351 COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
10352 CSc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
10353 Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
10354 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccncc1 |r|
10355 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C=O |r|
10356 CCC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(O)=O)C=O |r|
10357 CCC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(O)=O)C=O |r|
10358 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
10359 CC(C)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
10360 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccccc1)S(=O)(=O)N1CCOCC1
10361 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccco1)S(=O)(=O)N1CCOCC1
10362 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2\C=C\c1ccc(cc1)C(F)(F)F)S(=O)(=O)N1CCOCC1
10363 CC(=O)OCCN1C(=O)c2c(C1=O)c(=O)[nH]c1ccc(cc21)S(=O)(=O)N1CCOCC1
10364 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Cl)S(=O)(=O)N1CCOCC1
10365 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2SC(N)=N)S(=O)(=O)N1CCOCC1
10366 COC(=O)CSc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
10367 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2N1CCOCC1)S(=O)(=O)N1CCOCC1
10368 CCOC(=O)C[C@@H](Nc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1)C(=O)OCC |r|
10369 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2Nc1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1
10370 COC(=O)CS(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
10371 COC(=O)CS(=O)(=O)c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
10372 CN(C)C(=O)c1ccc(cc1)-c1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1
10373 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1ccc(F)c(Cl)c1)S(=O)(=O)N1CCOCC1
10374 CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1cccnc1)S(=O)(=O)N1CCOCC1
10375 Cc1nc2ccccc2c2C(=O)NC(=O)c12
10376 Cc1nc2ccc(F)cc2c2C(=O)NC(=O)c12
10377 Cc1nc2ccc(Br)cc2c2C(=O)NC(=O)c12
10378 Cc1nc2ccc(cc2c2C(=O)NC(=O)c12)S(=O)(=O)N1CCOCC1
10379 CN1C(=O)c2c(C1=O)c1ccccc1nc2C
10380 CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
10381 CN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
10382 COC(=O)CN1C(=O)c2c(C1=O)c1ccccc1nc2C
10383 COC(=O)CN1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C
10384 COC(=O)CN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
10385 COC(=O)CN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
10386 COC(=O)CCN1C(=O)c2c(C1=O)c1ccccc1nc2C
10387 COC(=O)CCN1C(=O)c2c(C1=O)c1cc(F)ccc1nc2C
10388 COC(=O)CCN1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
10389 COC(=O)CCN1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
10390 Cc1ccccc1N1C(=O)c2c(C1=O)c1ccccc1nc2C
10391 Cc1ccccc1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
10392 Cc1nc2ccc(cc2c2C(=O)N(C(=O)c12)c1ccccc1C)S(=O)(=O)N1CCOCC1
10393 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S([O-])(=O)=O
10394 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
10395 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(O)(=O)=O
10397 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)C#N
10398 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(N)(=O)=O
10399 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)NCCO
10400 COCCNS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C
10401 COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C |r|
10402 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCC[C@@H]1COc1ccccc1 |r|
10403 Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(ccc1nc2C)S(=O)(=O)N1CCOCC1
10404 COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
10405 COc1ccc2CN(CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32|
10406 COc1ccc2C=[N+](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32,t:6|
10407 C[N+]1=Cc2ccc(OCCCCCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:35,t:1|
10408 COc1ccc2C=[N+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12,t:6|
10409 COc1ccc2CN(CCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:28|
10410 COc1ccc2CN(CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:30|
10411 CC1(C)CCCC(C1)c1cc(NC(=O)[C@@H]2CNC(=O)C2)nn1-c1ccccc1 |r|
10412 COc1ccc2CN(CCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34|
10413 COc1ccc2CN(CCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36|
10414 COc1ccc2C=[N+](CCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:28,t:6|
10415 COc1ccc2C=[N+](CCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:30,t:6|
10417 COc1ccc2C=[N+](CCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34,t:6|
10418 COc1ccc2C=[N+](CCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36,t:6|
10419 COc1ccc2CN(CCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:18|
10420 COc1ccc2CN(CCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:21|
10421 COc1ccc2CN(CCCCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:23|
10422 COc1ccc2CN(CCCCCCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:25|
10423 COc1ccc2CN(CCCCCCCCCCCC[N+](C)(C)C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:27|
10424 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
10425 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
10426 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
10427 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O |r,c:5|
10428 C[N+]1=Cc2ccc(OCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:31,t:1|
10430 C[N+]1=Cc2ccc(OCCCCCCCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:37,t:1|
10431 C[N+]1=Cc2ccc(OCCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)c3O[C@H]4C[C@@H](O)C=C[C@@]4(CC1)c23 |r,c:39,t:1|
10432 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCC[N+](C)(C)C |r,c:5|
10433 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCC[N+](C)(C)C |r,c:5|
10434 CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(C1)ccc2OCCCCCCCCCCCC[N+](C)(C)C |r,c:5|
10435 C[N+](C)(C)CCCCCCCCN1C(=O)c2ccccc2C1=O
10436 C[N+](C)(C)CCCCCCCCCCN1C(=O)c2ccccc2C1=O
10437 C[N+](C)(C)CCCCCCCCCCCCN1C(=O)c2ccccc2C1=O
10439 O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r|
10440 O=c1ccc2[C@H](CCCc2[nH]1)NCCCCCCCCCCCCN[C@H]1CCCc2[nH]c(=O)ccc12 |r|
10441 C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
10442 CCCCCCCNc1c2CCCCc2nc2ccccc12
10443 Cc1cc(N)c2ccccc2n1
10444 Cc1cc(NCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
10445 Cc1cc(NCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
10446 Cc1cc(NCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
10447 Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
10448 Cc1cc(NCCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
10449 CCCCCCCCCNc1cc(C)nc2ccccc12
10450 Nc1ccnc2ccccc12
10451 C(CCCNc1ccnc2ccccc12)CCNc1ccnc2ccccc12
10452 C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
10453 C(CCCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
10454 C(CCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12
10455 C(CCCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12
10456 C(CCCCCCNc1ccnc2ccccc12)CCCCCNc1ccnc2ccccc12
10457 CCCCCCCNc1ccnc2ccccc12
10458 Nc1ccncc1
10459 C(CCCNc1ccncc1)CCNc1ccncc1
10460 C(CCCNc1ccncc1)CCCNc1ccncc1
10461 C(CCCCNc1ccncc1)CCCNc1ccncc1
10462 C(CCCCNc1ccncc1)CCCCNc1ccncc1
10463 C(CCCCCNc1ccncc1)CCCCNc1ccncc1
10464 C(CCCCCNc1ccncc1)CCCCCNc1ccncc1
10465 C(CCCCCCNc1ccncc1)CCCCCNc1ccncc1
10466 CCCCCCCCCCNc1ccncc1
10467 Cc1onc(c1COc1ccc(cn1)C(=O)NCC(F)(F)F)-c1ccc(F)cn1
10468 Cc1onc(c1COc1ccc(cn1)C(=O)NCCO)-c1ccc(F)cn1
10469 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
10470 C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
10471 C(CCc1ccccc1)CNc1c2CCCCc2nc2ccccc12
10472 C(CCNc1c2CCCCc2nc2ccccc12)CCc1ccccc1
10473 C(CCCc1ccccc1)CCNc1c2CCCCc2nc2ccccc12
10474 C(CCCNc1c2CCCCc2nc2ccccc12)CCCc1ccccc1
10475 C(CCCCc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12
10476 C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCc1ccccc1
10477 C(CCCCCc1ccccc1)CCCCNc1c2CCCCc2nc2ccccc12
10478 C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
10479 C(CNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
10480 C(CCNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
10483 CCNC(=O)c1ccc(OCc2c(C)onc2-c2ccc(F)cn2)nc1
10484 Cc1onc(c1COc1ccc(cn1)C(=O)NC1CCOCC1)-c1ccc(Cl)cn1
10487 Nc1c2CCCCCc2nc2cccc(Cl)c12
10488 Clc1cccc2nc3CCCCCc3c(NCc3cccs3)c12
10489 FC(F)(F)C(=O)c1ccc(CNc2c3CCCCCc3nc3cccc(Cl)c23)s1
10490 OC(O)(CCCCCNc1c2CCCCCc2nc2cccc(Cl)c12)C(F)(F)F
10491 OC(O)(CCCCCNc1c2CCCCCc2nc2ccccc12)C(F)(F)F
10492 CCOC(=O)c1c(C)nc2cccc(F)c2c1N
10493 Cc1nc2cccc(F)c2c(N)c1CO
10494 Cc1nc2cccc(F)c2c(N)c1CN
10495 Cc1nc2cccc(F)c2c(N)c1CNC1(CCC(=O)O1)C(F)(F)F
10496 Cc1nc2cccc(Cl)c2c(N)c1CNC1(CCC(=O)O1)C(F)(F)F
10497 Cc1nc2cccc(F)c2c(N)c1CSC1(CCCO1)C(F)(F)F
10498 Cc1nc2cccc(F)c2c(N)c1COCc1ccccc1
10499 Cc1nc2cccc(F)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
10500 Cc1nc2cccc(Cl)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
10501 Cc1nc2ccccc2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
10502 FC(F)(F)C(=O)c1cccc(CBr)c1
10503 Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F
10504 Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(O)(O)C(F)(F)F
10505 CC(=O)c1cccc(CSCc2c(C)nc3cccc(F)c3c2N)c1
10506 O=C(CCCCC1CCSS1)NCCNc1c2CCCCc2nc2ccccc12
10507 O=C(CCCCC1CCSS1)NCCCNc1c2CCCCc2nc2ccccc12
10508 O=C(CCCCC1CCSS1)NCCCCNc1c2CCCCc2nc2ccccc12
10509 O=C(CCCCC1CCSS1)NCCCCCNc1c2CCCCc2nc2ccccc12
10510 O=C(CCCCC1CCSS1)NCCCCCCNc1c2CCCCc2nc2ccccc12
10511 O=C(CCCCC1CCSS1)NCCCCCCCNc1c2CCCCc2nc2ccccc12
10512 Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
10513 Nc1c2CCC(CNC(=O)CCCCC3CCSS3)Cc2nc2cc(Cl)ccc12
10514 NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
10515 OC(=O)CCCCC1CCSS1
10516 Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
10517 CC(C)NC(=O)c1ccc(OCc2c(C)onc2-c2ccc(Cl)cn2)nc1
10518 Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1
10519 Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
10520 C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
10521 Cc1onc(c1COc1ccc(cn1)C(=O)NC1CC1)-c1ccc(Cl)cn1
10522 Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
10523 Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
10524 Clc1cc(Cl)c2c(SCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
10525 C(CCCSc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
10526 C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
10527 COc1ccc(Br)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10528 COc1ccc(Br)cc1[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10529 CCC[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1cc(Br)ccc1OC |r|
10530 COc1ccc(Br)cc1[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10531 COc1ccc(Br)cc1[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10532 COc1ccc(Br)cc1C1(CC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10533 COc1ccc(Br)cc1[C@H](CC=C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10534 COc1ccc(Br)cc1[C@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10535 COc1ccc(Br)cc1[C@@H](CC#C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10536 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10537 CC(C)[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10538 CC(C)[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10539 CC(C)[C@@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10540 CC(C)[C@H](O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10541 CO[C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)c1ccccc1 |r|
10542 CC(C)[C@H](NC(=O)C(C)(O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10543 CC(C)[C@H](NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10544 CCC(O)(CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10545 CC(C)[C@H](NC(=O)C(C)(C)O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10546 CC(C)[C@H](NC(=O)C1(O)CC1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10547 CC(C)[C@H](NC(=O)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10548 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r|
10549 COc1ccc(OC)c(c1)C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10550 Cc1onc(c1CNc1ccc(cn1)C(=O)NC1CCOCC1)-c1cccc(F)c1
10551 COc1ccc(Br)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10552 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
10553 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)C(C)=O |r|
10554 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r|
10555 COc1ccc(cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1)-c1nc(C)no1 |r|
10556 COc1ccc(I)cc1C(O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10557 OC(=O)C[C@H](NC(=O)c1ccccc1)C=O |r|
10558 OC(=O)C[C@H](NC(=O)c1ccccn1)C=O |r|
10559 OC(=O)C[C@H](NC(=O)c1cccnc1)C=O |r|
10560 OC(=O)C[C@H](NC(=O)c1ccncc1)C=O |r|
10561 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C=O |r|
10562 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)Cc1ccccc1 |r|
10563 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCc1ccccc1 |r|
10564 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CCCCCc1ccccc1 |r|
10565 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSc1ccccc1 |r|
10566 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccccc1 |r|
10567 OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C(=O)CSCc1ccc(F)cc1 |r|
10568 CCN(CC)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10569 CCCN(CCC)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10570 CCN(C(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10571 CC(C)CN(CC(C)C)C(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10572 CN(C)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10573 CCN(CC)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10574 CCCN(CCC)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10575 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CSCc1ccc(F)cc1 |r|
10576 CN(C1CC1)S(=O)(=O)c1cncc(c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccc(F)cc1 |r|
10577 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NCc1ccccc1)C(=O)CSCc1ccc(F)cc1 |r|
10578 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C=O |r|
10579 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)CNCc1c(F)cccc1F |r|
10580 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)Oc1ccccc1 |r|
10581 OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NC1CC1)C(=O)COC(=O)c1cccc2ccccc12 |r|
10582 CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:2|
10583 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
10584 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
10585 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:1|
10586 CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3 |t:45|
10587 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
10588 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
10589 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |t:1|
10590 CN(CCCNc1c2CCCCc2nc2cc(Cl)ccc12)CCCNc1c2C3CC(Cc2nc2cc(Cl)ccc12)C=C(C)C3 |t:46|
10592 CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:1|
10593 CC=C1C2C=C(C)CC1(N)CC(NCCCCCCCNc1c3CCCCc3nc3ccccc13)C2(C)C |t:4,TLB:1:2:4.5.7:35.10.11,6:5:2:35.10.11,12:11:2:4.5.7|
10594 CC=C1C2CC(CC1(N)CC(C)=C2)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:12,TLB:11:10:2:4.6.5,13:5:2:12.10.9,THB:1:2:12.10.9:4.6.5|
10595 COC(=O)C12CC(CC(C=C(C)C1)C2=CC)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |t:9,THB:14:13:9.10.12:7.5.6,11:10:13:7.5.6,16:6:13:9.10.12|
10597 CCC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1N |t:2,TLB:11:9:5:3.2.7,19:8:5:3.2.7|
10598 CCNC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1 |r|
10599 CCNC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1 |r|
10600 Cc1ccccc1NC(=O)Oc1ccc2OC3OCC[C@@]3(C)c2c1 |r|
10601 Cc1ccccc1NC(=O)Oc1ccc2OC3OCC[C@]3(C)c2c1 |r|
10602 CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@]4(C)c3c2)cc1 |r|
10603 CCNC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1 |r|
10604 CCNC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1 |r|
10605 Cc1ccccc1NC(=O)Oc1ccc2OC3C[C@](C)(CO3)c2c1 |r|
10606 Cc1ccccc1NC(=O)Oc1ccc2OC3C[C@@](C)(CO3)c2c1 |r|
10607 CC(C)c1ccc(NC(=O)Oc2ccc3OC4C[C@@](C)(CO4)c3c2)cc1 |r|
10608 CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
10609 CNC(=O)Oc1ccc2N(C)C3N(C)CC[C@]3(C)c2c1 |r|
10610 CCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
10611 CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21 |r|
10612 CN1CC[C@@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3C)cc21 |r|
10613 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@@]4(C)c3c2)cc1 |r|
10614 CNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1 |r|
10615 CNC(=O)Oc1ccc2N(C)C3OCC[C@]3(C)c2c1 |r|
10616 CCNC(=O)Oc1ccc2N(C)C3OCC[C@@]3(C)c2c1 |r|
10617 CN1C2OCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12 |r|
10618 CN1C2OCC[C@]2(C)c2cc(OC(=O)Nc3ccccc3C)ccc12 |r|
10619 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@@]4(C)c3c2)cc1 |r|
10620 [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
10621 Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCC[C@@H]1O)-c1ccc(F)cc1 |r|
10622 CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
10623 CCCCCCCNC(=O)Oc1ccc2N(C)C3N(C)CC[C@@]3(C)c2c1 |r|
10624 C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
10625 CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
10626 CC(C)c1ccc(NC(=O)Oc2ccc3OC4OCC[C@@]4(C)c3c2)cc1 |r|
10627 CC(C)c1ccc(NC(=O)Oc2ccc3OC4C[C@](C)(CO4)c3c2)cc1 |r|
10628 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CC[C@]4(C)c3c2)cc1 |r|
10629 CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4OCC[C@]4(C)c3c2)cc1 |r|
10630 CC(N(C)C)c1cccc(O)c1
10632 CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,TLB:17:18:4.5.11:2.1.13,THB:10:11:18:2.1.13|
10633 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12
10634 C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
10635 CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
10636 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
10637 Cc1onc(c1COc1ccc(cn1)C(=O)N[C@@H]1CCCC[C@H]1O)-c1ccccc1 |r|
10638 CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc12
10639 CC(C)n1cnc2c(N)nc(NCCCO)nc12
10640 CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12 |TLB:18:9:16:13.12.14,THB:14:15:10:13.12.18,14:13:10:15.17.16,18:13:9.10.17:16|
10641 CC(C)n1cnc2c(NCc3ccccc3)ncnc12
10642 CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
10643 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(C=O)cc1
10644 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(cc1)C(C)=O
10645 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(NS(C)(=O)=O)cc1
10646 CNC(=O)c1ccc(cc1)-c1nc(NCCOC)c2ncn(C(C)C)c2n1
10647 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(cc1)C(=O)NCCC#N
10648 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(NC(=O)OC)cc1
10649 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(s1)C(C)=O
10650 COCCNc1nc(nc2n(cnc12)C(C)C)-c1ccc(s1)C#N
10651 COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)-c2ccc(C=O)cc2)cc1
10652 CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r|
10653 CCOc1ccc(\C=C\C(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
10654 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10655 CNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1
10656 CCCCCCN(C)CC(=O)[C@H](CC([O-])=O)NC(=O)C(CC)n1cc(nc(NCc2nonc2C)c1=O)C(C)(C)C |r|
10657 CCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1
10658 OC(=O)C[C@H](NC(=O)c1cncc(c1)-c1ccc(cc1)C(O)=O)C=O |r|
10659 Cc1onc(C2CCCCN2)c1COc1ccc(cn1)C(=O)NC(C)(C)CO
10660 CC(C)[C@H](NC(=O)c1cc(Br)cc(Br)c1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10661 CC(C)[C@H](NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10662 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC(C)C)c1 |r|
10663 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2c(F)cccc2Cl)c1 |r|
10664 COc1ccc(OC)c(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCC2CCCCC2)c1 |r|
10665 COc1ccccc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1 |r|
10666 COc1cccc(CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc2ccccc2)c1 |r|
10667 Cc1onc(C2CCCCN2)c1COc1ccc(cn1)C(=O)NCCO
10668 COCCNC(=O)c1ccc(OCc2c(C)onc2C2CCCCN2)nc1
10669 CCOc1ccc(OCC(=O)OC)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
10670 CCOc1ccc(OCC(=O)OC(C)C)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
10671 CCOc1ccc(OCC(O)=O)cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl |r|
10672 Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CCOCC1
10673 CC(C)NC(=O)c1ccc(OCc2c(C)onc2C2CCC(F)CN2)nc1
10674 COc1ccc(cc1CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1c(F)cccc1Cl)S(C)(=O)=O |r|
10675 CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1 |r|
10676 CN1CC[C@@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
10677 Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC1CC1
10678 Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NC(C)(C)CO
10679 C[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21 |r|
10680 C[C@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc21 |r|
10681 CNC(=O)Oc1ccc2NC3NCC[C@@]3(C)c2c1 |r|
10682 CNC(=O)Oc1ccc2NC3NCC[C@]3(C)c2c1 |r|
10683 C[C@@]12CCN(Cc3ccccc3)C1N(Cc1ccccc1)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
10684 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1 |r|
10685 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(Cc4ccccc4)CC[C@]3(C)c2c1 |r|
10686 CN1C2NCC[C@@]2(C)c2cc(OC(=O)Nc3ccccc3)ccc12 |r|
10687 CNC(=O)Oc1ccc2N(C)C3NCC[C@@]3(C)c2c1 |r|
10688 CN1CC[C@]2(C)C1Nc1ccc(OC(=O)Nc3ccccc3)cc21 |r|
10689 CNC(=O)Oc1ccc2NC3N(C)CC[C@@]3(C)c2c1 |r|
10690 CNC(=O)Oc1ccc2N(C)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1 |r|
10691 CNC(=O)Oc1ccc2N(Cc3ccccc3)C3N(C)CC[C@@]3(C)c2c1 |r|
10692 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10693 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10694 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:27.29|
10695 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:27.29|
10696 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:27.29|
10697 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
10698 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cccc3ccccc23)c1 |w:31.33|
10699 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc3ccccc3c2)c1 |w:31.33|
10700 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2c3ccccc3cc3ccccc23)c1 |w:31.33|
10701 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccccc2)c1 |w:31.33|
10702 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2ccc(Cl)c(Cl)c2)c1 |w:31.33|
10703 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(Cl)cc(Cl)c2)c1 |w:31.33|
10704 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Cc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:31.33|
10705 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(COc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
10706 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(CCc3c2)=Cc2cc(OC)c(OC)c(OC)c2)c1 |w:32.34|
10707 CN(CCCCCCCOc1ccc2C(=O)\C(Oc2c1)=C\c1cccc2ccccc12)Cc1cccc(O)c1
10708 CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3c(O)coc3c2)c1
10709 CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1
10710 CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10711 Cc1onc(C2CCC(F)CN2)c1COc1ccc(cn1)C(=O)NCC1CC1
10712 CNC(=O)Oc1cccc(CN(C)CCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10713 CNC(=O)Oc1cccc(CN(C)CCCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10714 CNC(=O)Oc1cccc(CN(C)CCCCCCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10715 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(cc2)C(=O)c2ccccc2)c1
10716 CNC(=O)Oc1cccc(CN(C)CCCOc2cccc(Cc3ccccc3)c2)c1
10717 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccccc3c2)c1
10718 CNC(=O)Oc1cccc(CN(C)CCCOc2ccccc2)c1
10719 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc(cc2)-c2ccccc2)c1
10720 CNC(=O)Oc1cccc(CN(C)CC#CCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10721 CNC(=O)Oc1ccc2CCN(CCCOc3ccc4c(c3)oc3ccccc3c4=O)Cc2c1
10722 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCN2CCOCC2)c1
10723 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCN2CCOCC2)c1
10724 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCN2CCOCC2)c1
10725 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NCCCCCCCCCN2CCOCC2)c1
10726 CC(N(C)C)c1cccc(OC(=O)N(C)C)c1
10727 CN(C)C(=O)Oc1ccc2CCC(N)c2c1
10728 CCN(C)C(=O)Oc1ccc2CC[C@@H](N)c2c1 |r|
10729 CCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
10730 CCCCCCN(C)C(=O)Oc1ccc2CCC(N)c2c1
10731 CN(C1CCCCC1)C(=O)Oc1ccc2CCC(N)c2c1
10732 COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(N)c2c1
10733 CCNC(=O)Oc1ccc2CCC(N)c2c1
10734 CCCNC(=O)Oc1ccc2CCC(N)c2c1
10735 CNC1CCc2ccc(OC(=O)N(C)C)cc12
10736 CCN(C)C(=O)Oc1ccc2CCC(NC)c2c1
10737 CCNC1CCc2ccc(OC(=O)N(C)C)cc12
10738 CCCNC1CCc2ccc(OC(=O)N(C)CC)cc12
10739 CN(C)C(=O)Oc1cccc2CCC(N)c12
10740 CCN(C)C(=O)Oc1cccc2CCC(N)c12
10741 CNC1CCc2cccc(OC(=O)N(C)C)c12
10742 CN(C)C(=O)Oc1cccc2C(N)CCc12
10743 CCN(C)C(=O)Oc1cccc2C(N)CCc12
10744 CN(C)C(=O)Oc1ccc2CCCC(N)c2c1
10745 CCN(C)C(=O)Oc1ccc2CCCC(N)c2c1
10746 CN(C)C(=O)Oc1ccc2CCC(N)Cc2c1
10747 CCN(C)C(=O)Oc1ccc2CCC(N)Cc2c1
10748 CN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
10749 CN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
10750 CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
10751 CCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
10752 CCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
10753 CCCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
10754 CN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10755 NCCc1c[nH]c2ccc(O)cc12
10756 CCCN(C)C(=O)Oc1cccc2CCC(N)c12
10757 CCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10758 NCCc1ccccc1
10759 CC(=O)OCC[N+](C)(C)C
10760 CCCCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10761 CN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10762 COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10763 CCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
10764 CCCNC(=O)Oc1ccc2CCC(NCC#C)c2c1
10765 CCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10766 CCCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
10767 CCCCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
10768 CCCCN(CC)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10769 CCN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10770 CN(Cc1ccccc1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
10771 CN(C(=O)Oc1ccc2CCC(NCC#C)c2c1)c1ccccc1
10772 CN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
10773 CCN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
10774 CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
10775 CCCN(C)C(=O)Oc1ccc2CCC(N(C)CC#C)c2c1
10776 CCN(CC#C)C1CCc2ccc(OC(=O)N(C)C)cc12
10777 CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
10778 CCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
10779 CCCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
10780 CN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
10781 CCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
10782 CCCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
10783 CN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
10784 CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
10785 CCN(C)C(=O)Oc1cc2C(CCc2cc1Cl)NCC#C
10786 CCCN(C)C(=O)Oc1cc2C(CCc2cc1Cl)NCC#C
10787 CN(C)C(=S)Oc1ccc2CCC(NCC#C)c2c1
10788 CCN(C)C(=S)Oc1ccc2CCC(NCC#C)c2c1
10789 CC(NC1CCc2ccc(OC(=O)N(C)C)cc12)C#C
10790 CN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
10791 CCN(C)C(=O)Oc1ccc2CCCC(NCC#C)c2c1
10792 CN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
10793 CCN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
10794 CCN(C)C(=O)Oc1cccc2C(CCc12)N(C)CC#C
10795 CN(C)C1CCc2ccc(OC(=O)N(C)C)cc12
10796 CN(C)C1CCc2c1cccc2OC(=O)N(C)C
10797 CN(C)C(=O)Oc1cccc(CCN)c1
10798 Oc1ccc2CCC(NCC#C)c2c1
10799 Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
10800 Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
10801 Oc1cccc2CCC(NCC#C)c12
10802 Oc1cccc2C(CCc12)NCC#C
10803 CN(CC#C)C1CCc2ccc(O)cc12
10804 CN(CC#C)[C@@H]1CCc2ccc(O)cc12 |r|
10805 CN(CC#C)[C@H]1CCc2ccc(O)cc12 |r|
10806 CN(CC#C)C1CCc2cccc(O)c12
10807 CN(CC#C)C1CCc2c1cccc2O
10808 CCN(C)C(=O)Oc1cccc(CCN)c1
10809 CCCN(C)C(=O)Oc1cccc(CCN)c1
10810 CNCCc1cccc(OC(=O)N(C)C)c1
10811 CCN(C)C(=O)Oc1cccc(CCNC)c1
10812 CN(C)CCc1cccc(OC(=O)N(C)C)c1
10813 CN(C)C(=O)Oc1cccc(CCNCC#C)c1
10814 CCN(C)C(=O)Oc1cccc(CCNCC#C)c1
10815 CCCN(C)C(=O)Oc1cccc(CCNCC#C)c1
10816 CN(CCc1cccc(OC(=O)N(C)C)c1)CC#C
10817 CCN(C)C(=O)Oc1cccc(CCN(C)CC#C)c1
10818 CC(Cc1cccc(OC(=O)N(C)C)c1)NCC#C
10819 CCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
10820 CCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
10821 CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)NCC#C
10822 CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
10823 CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
10824 CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
10825 CCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
10826 CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
10827 CCCCCCN(C)C(=O)Oc1cccc(C[C@@H](C)N(C)CC#C)c1 |r|
10828 CCCCCCN(C)C(=O)Oc1cccc(C[C@H](C)N(C)CC#C)c1 |r|
10829 CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
10830 C[C@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
10831 C[C@@H](Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C |r|
10832 CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
10833 CCN(C)C(=O)Oc1cccc(CCNC(C)C#C)c1
10834 Oc1cccc(CCNCC#C)c1
10835 CN(CCc1cccc(O)c1)CC#C
10836 CC(Cc1cccc(O)c1)NCC#C
10837 CC(Cc1cccc(O)c1)N(C)CC#C
10838 Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
10839 Nc1nccc(n1)-c1c[nH]c2cc(Br)cc(O)c12
10840 Nc1nccc(n1)-c1c[nH]c2ccc(Br)cc12
10841 Nc1nccc(n1)-c1c[nH]c2cc(Br)ccc12
10842 Nc1nccc(n1)-c1c[nH]c2c(Br)ccc(O)c12
10843 Nc1nccc(n1)-c1c[nH]c2cc(Br)c(Br)cc12
10844 Nc1nccc(n1)-c1c[nH]c2ccccc12
10845 Nc1nccc(n1)-c1cc2cc(Br)ccc2[nH]1
10846 Nc1nccc(n1)-c1cc2ccccc2[nH]1
10847 Cn1c2nc[nH]c2c(=O)n(C)c1=O
10848 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](CO)O[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)[C@H](NC(C)=O)[C@H]1O |r|
10849 Cn1cnc2n(C)c(=O)n(C)c(=O)c12
10850 CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
10851 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
10853 CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r|
10854 CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r|
10855 Nc1ccccc1S(N)(=O)=O
10856 O=C=O
10857 Nc1ccc(cc1)S(N)(=O)=O
10858 NNc1ccc(cc1)S(N)(=O)=O
10859 Cc1ccc(cc1)S(N)(=O)=O
10860 NCc1ccc(cc1)S(N)(=O)=O
10861 NCCc1ccc(cc1)S(N)(=O)=O
10862 Nc1ccc(cc1F)S(N)(=O)=O
10863 Nc1ccc(cc1Cl)S(N)(=O)=O
10864 Nc1ccc(cc1Br)S(N)(=O)=O
10865 Nc1ccc(cc1I)S(N)(=O)=O
10866 Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F
10867 Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
10868 Nc1nnc(s1)S(N)(=O)=O
10869 Cn1nc(sc1=N)S(N)(=O)=O
10870 Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
10871 Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
10872 Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
10873 Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
10874 NS(=O)(=O)c1nc2ccc(O)cc2s1
10875 NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
10876 NS(=O)(=O)c1ccc(CO)cc1
10877 NS(=O)(=O)c1ccc(CCO)cc1
10878 FC1CCC(NC1)c1nocc1COc1ccc(cn1)C(=O)NC1CCOCC1
10879 NNc1ccccc1S(N)(=O)=O
10880 CC(=O)Nc1nnc(s1)S(N)(=O)=O
10881 CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
10882 CCOc1ccc2nc(sc2c1)S(N)(=O)=O
10883 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
10884 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
10885 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
10886 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
10887 CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
10888 NS(=O)(=O)Cc1noc2ccccc12
10889 COc1ccc(cc1C(=O)NCC1CCCN1C)S(N)(=O)=O
10890 NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
10891 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O
10892 CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)S(N)(=O)=O
10893 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
10894 CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O
10895 CC(C)(C)c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
10896 CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
10897 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O
10898 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
10899 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(N)(=O)=O
10900 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
10901 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
10902 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
10903 CCc1c(C)[nH]c(=O)c(c1Sc1cc(C)cc(C)c1)[N+]([O-])=O
10904 Cc1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
10905 CCc1c(C)[nH]c(=O)c(N)c1Cc1cc(C)cc(C)c1
10906 CCc1c(C)[nH]c(=O)c(N)c1C(=O)c1cc(C)cc(C)c1
10907 CCc1c(C)[nH]c(=O)c(NC=O)c1Cc1cc(C)cc(C)c1
10908 CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1cc(C)cc(C)c1
10909 CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1 |r|
10910 CC[C@H](CO)Nc1nc(OCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
10911 CNC(=O)Oc1cccc(CN(C)CCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10912 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10913 CNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10914 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10915 CC(C)NC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1
10916 CCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10917 CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10918 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10919 CN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)Nc2ccccc2)c1
10920 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
10921 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
10922 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
10923 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
10924 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
10925 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
10926 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)occc3=O)c1
10927 CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)occc3=O)c1
10928 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)occc3=O)c1
10929 CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
10930 CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
10931 CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc(cc3=O)-c2ccccc2)c1
10932 CCN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NC)c1
10933 CCCCNC(=O)Oc1cccc(CN(CC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10934 CCCCCCCNC(=O)Oc1cccc(CN(CC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10935 CCCN(CCCOc1ccc2c(c1)oc1ccccc1c2=O)Cc1cccc(OC(=O)NC)c1
10936 CCCCNC(=O)Oc1cccc(CN(CCC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10937 CCCCCCCNC(=O)Oc1cccc(CN(CCC)CCCOc2ccc3c(c2)oc2ccccc2c3=O)c1
10938 CNC(=O)Oc1cccc(CN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)C(C)C)c1
10939 CCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)C(C)C)c1
10940 CCCCCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(c2)oc2ccccc2c3=O)C(C)C)c1
10941 CN(CCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:29,55,TLB:34:35:37.38.44:49.47.46,12:13:15.16.22:27.25.24,43:44:35:49.47.46,21:22:13:27.25.24,THB:17:16:13:27.25.24,39:38:35:49.47.46,48:47:35:37.38.44,26:25:13:15.16.22|
10942 CN(CCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:30,56,TLB:35:36:38.39.45:50.48.47,13:14:16.17.23:28.26.25,44:45:36:50.48.47,22:23:14:28.26.25,THB:18:17:14:28.26.25,40:39:36:50.48.47,49:48:36:38.39.45,27:26:14:16.17.23|
10943 CN(CCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:33,59,TLB:38:39:41.42.48:53.51.50,25:26:17:31.29.28,47:48:39:53.51.50,16:17:19.20.26:31.29.28,THB:21:20:17:31.29.28,43:42:39:53.51.50,30:29:17:19.20.26,52:51:39:41.42.48|
10944 CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:35,61,TLB:40:41:43.44.50:55.53.52,18:19:21.22.28:33.31.30,49:50:41:55.53.52,27:28:19:33.31.30,THB:32:31:19:21.22.28,45:44:41:55.53.52,54:53:41:43.44.50,23:22:19:33.31.30|
10945 CN(CCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:34,61,TLB:40:41:43.44.50:55.53.52,17:18:20.21.27:32.30.29,49:50:41:55.53.52,26:27:18:32.30.29,THB:31:30:18:20.21.27,45:44:41:55.53.52,54:53:41:43.44.50,22:21:18:32.30.29|
10946 CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:36,63,TLB:42:43:45.46.52:57.55.54,51:52:43:57.55.54,28:29:20:34.32.31,19:20:22.23.29:34.32.31,THB:33:32:20:22.23.29,47:46:43:57.55.54,24:23:20:34.32.31,56:55:43:45.46.52|
10947 CN(CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:38,65,TLB:44:45:47.48.54:59.57.56,53:54:45:59.57.56,30:31:22:36.34.33,21:22:24.25.31:36.34.33,THB:35:34:22:24.25.31,49:48:45:59.57.56,26:25:22:36.34.33,58:57:45:47.48.54|
10948 CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:40,67,TLB:46:47:49.50.56:61.59.58,55:56:47:61.59.58,23:24:26.27.33:38.36.35,32:33:24:38.36.35,THB:28:27:24:38.36.35,37:36:24:26.27.33,51:50:47:61.59.58,60:59:47:49.50.56|
10949 COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC
10950 CNC(=O)Oc1cccc(c1)C(C)N(C)C
10951 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1OC2 |r|
10952 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1CC2 |r|
10953 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC)c1SC2 |r|
10954 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NC(C)c3ccccc3)c1OC2 |r|
10955 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCCCCCCC)c1OC2 |r|
10956 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1OC2 |r|
10957 [H][C@@]12CCN(C)[C@]1([H])c1cccc(OC(=O)NCC)c1CC2 |r|
10958 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r|
10959 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C)ccc1N2C |r|
10960 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2C |r|
10961 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3CC)ccc1N2C |r|
10962 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r|
10963 [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N@@+]2(C)O |r|
10964 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r|
10965 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N@@+]2(C)O |r|
10966 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C)ccc1N2C |r|
10967 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C)cc3[C@]1(C)CC[N@@+]2(C)O |r|
10968 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2C |r|
10969 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccc(cc4)C(C)C)cc3[C@]1(C)CC[N@@+]2(C)O |r|
10970 [H][C@]12ON(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3CC)ccc1N2C |r|
10971 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CC)cc3[C@]1(C)CC[N@@+]2(C)O |r|
10972 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NCCCCCCC)ccc1N2C
10973 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3C(C)C)ccc1N2C |r|
10974 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3)ccc1N2C |r|
10975 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)cc3)ccc1N2C |r|
10976 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cccc(C)c3C)ccc1N2C |r|
10977 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)cc3C)ccc1N2C |r|
10978 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)ccc3C)ccc1N2C |r|
10979 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(C)cccc3C)ccc1N2C |r|
10980 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(CC)cccc3CC)ccc1N2C |r|
10981 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(C)c(C)c3)ccc1N2C |r|
10982 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3cc(C)cc(C)c3)ccc1N2C |r|
10983 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3c(C)cc(C)cc3C)ccc1N2C |r|
10984 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N(C)C)ccc1N2C |r|
10985 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)N(C)c3ccccc3)ccc1N2C |r|
10986 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)c(C)cc1N2C |r|
10987 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(C)cc1N2C |r|
10988 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)c(CN(C)C)cc1N2C |r|
10989 C#CCN[C@@H]1CCc2ccccc12 |r|
10990 NCCC(=O)c1ccccc1N
10991 FC1CCC(NC1)c1nocc1COc1ccc(cn1)C(=O)NC1CC1
10992 CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)N(C)CC#C |r|
10993 CCN(C)C(=O)Oc1cccc2[C@@H](CCc12)NCC#C |r|
10994 Oc1cccc2[C@@H](CCc12)NCC#C |r|
10995 CN[C@@H]1CCc2ccccc12 |r|
10996 CN[C@H]1CCc2ccccc12 |r|
10997 N[C@@H]1CCc2ccccc12 |r|
10998 N[C@H]1CCc2ccccc12 |r|
10999 NCc1ccccc1
11000 C#CCN[C@H]1CCc2ccccc12 |r|
11001 CCNC(=O)c1ccc(OCc2conc2C2CCC(F)CN2)nc1
11002 CN(CC#C)[C@@H]1CCc2ccccc12 |r|
11004 Cc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(N)=S |t:8|
11005 Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(C)cc1 |c:10|
11006 Cc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(N)=S |t:8|
11007 NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(F)cc1 |c:4|
11008 Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1ccc(F)cc1 |c:10|
11009 NC(=S)N1N=C(CC1c1ccco1)c1ccc(F)cc1 |c:4|
11010 NC(=S)N1N=C(CC1c1ccc(Cl)cc1)c1cccs1 |c:4|
11011 Cc1ccc(cc1)C1CC(=NN1C(N)=S)c1cccs1 |c:10|
11012 NC(=S)N1N=C(CC1c1ccco1)c1cccs1 |c:4|
11013 NC(=S)N1N=C(CC1c1cccs1)c1cccs1 |c:4|
11014 Cc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
11015 Cc1ccc(cc1)C1=NN([C@H](C1)c1ccc(Cl)cc1)C(N)=S |r,t:8|
11016 NC(=S)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4|
11017 NC(=S)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4|
11018 CC1c2nc(\C=C\c3cccc(Cl)c3)n(C)c2C(=O)N(C)C1=O
11019 CN1CCC(=CC1)c1cccn1C |c:4|
11020 C(\C=C\Cc1ccccc1)c1ccccc1
11021 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
11022 O=C1Nc2ccccc2C1=O
11023 [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r|
11028 CC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
11029 CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
11030 CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
11031 CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
11032 NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
11033 NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)C1CCCCC1
11034 NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F
11035 NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F
11036 CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
11037 CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
11038 CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
11039 CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
11040 NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
11041 NS(=O)(=O)c1ccc(NC(=O)CCS)cc1
11042 NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(cc2F)S(N)(=O)=O)c(F)c1
11043 NS(=O)(=O)c1ccc(NC(=O)CCS)c(F)c1
11044 NS(=O)(=O)c1ccc(NC(=O)CCSSCCC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)c(Cl)c1
11045 NS(=O)(=O)c1ccc(NC(=O)CCS)c(Cl)c1
11046 NS(=O)(=O)c1ccc(CCNC(=O)CCSSCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
11047 NS(=O)(=O)c1ccc(CCNC(=O)CCS)cc1
11048 NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1
11049 NS(=O)(=O)c1nnc(NC(=O)CCS)s1
11050 Cn1nc(sc1=NC(=O)CCSSCCC(=O)N=c1sc(nn1C)S(N)(=O)=O)S(N)(=O)=O |w:6.7,17.17|
11051 Cn1nc(sc1=NC(=O)CCS)S(N)(=O)=O |w:6.7|
11052 NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
11053 NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
11054 NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2SSc2ccccc2C(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
11055 NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2S)cc1
11056 O=C([C@@H]1CCCN1)N1CCC[C@H]1C#N |r|
11057 Cc1cc(=O)oc2cc(NC(=O)C3CCCN3C(=O)CN)ccc12
11058 C[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11059 CC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11060 CC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11061 C=C[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11062 C=C[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11063 OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11064 OC[C@@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11065 CC(C)[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11066 O=C([C@@H]1CC[C@@H](N1)c1ccccc1)N1CCC[C@H]1C#N |r|
11067 O=C(Nc1ccccc1)[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11068 Brc1ccc(NC(=O)[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11069 O=C(NC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
11070 O=C(NC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|
11071 COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11072 O=C([C@@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)N1)N1CCC[C@H]1C#N |r|
11073 O=C([C@@H]1CC[C@H](CNc2ccccc2)N1)N1CCC[C@H]1C#N |r|
11074 Brc1ccc(NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11075 CN(C[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
11076 O=C([C@@H]1CC[C@H](CN2CCOCC2)N1)N1CCC[C@H]1C#N |r|
11077 O=C([C@@H]1CC[C@H](COc2ccccc2)N1)N1CCC[C@H]1C#N |r|
11078 Brc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11079 Brc1ccc(OC[C@@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11080 O=C([C@@H]1CC[C@H](COCc2ccccc2)N1)N1CCC[C@H]1C#N |r|
11081 Cc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11082 COc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11083 O=C([C@@H]1CC[C@H](COc2ccc(cc2)C#N)N1)N1CCC[C@H]1C#N |r|
11084 Cc1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11085 Clc1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11086 Clc1cccc(Cl)c1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11087 Clc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C#N |r|
11088 Clc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|
11089 OC(=O)c1cc(Cl)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11090 Clc1ncccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11091 O=C([C@@H]1CC[C@H](COc2ccc3OCOc3c2)N1)N1CCC[C@H]1C#N |r|
11092 O=C([C@@H]1CC[C@H](COc2cccc3ccccc23)N1)N1CCC[C@H]1C#N |r|
11093 O=C([C@@H]1CC[C@H](COc2cccc3CCCCc23)N1)N1CCC[C@H]1C#N |r|
11094 CC(C)(C)c1ccccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11095 O=C([C@@H]1CC[C@H](COc2ccccc2Cc2ccccc2)N1)N1CCC[C@H]1C#N |r|
11096 CC(C)(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r|
11097 CC(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r|
11098 OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|
11099 COc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O |r|
11100 OC(=O)c1ccc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r|
11101 OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Br)c1 |r|
11102 OC(=O)c1ccc(Br)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r|
11103 OC(=O)c1cnc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|
11104 OC(=O)c1cnc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1 |r|
11105 OC(=O)c1cc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)[n+]([O-])c1 |r|
11106 CS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)c1 |r|
11107 CS(=O)(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Br)c1 |r|
11108 Brc1cc2OCOc2cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11109 OC(=O)c1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c2ccccc12 |r|
11110 [O-][N+](=O)c1cc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c(Cl)cc1Cl |r|
11111 Brc1cc(NS(=O)(=O)c2ccccc2)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11112 Clc1ccc(NC(=O)c2ccn[nH]2)cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
11113 O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r|
11114 C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
11115 N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
11116 N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C#N |r|
11117 N[C@@H](Cc1ccc(cc1)C(O)=O)C(=O)N1CCC[C@H]1C#N |r|
11118 N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r|
11119 Cc1ccc(cc1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11120 COc1ccc(cc1OC)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r|
11121 N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
11122 N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r|
11123 N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r|
11124 N[C@@H](Cc1ccc(cc1)-c1ccco1)C(=O)N1CCC[C@H]1C#N |r|
11125 N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCSC1 |r|
11126 N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1 |r|
11127 N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1CO |r|
11128 N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1COCc1ccccc1 |r|
11129 CC1(C)OCCN1C(=O)[C@@H](N)Cc1ccc(cc1)-c1ccccc1 |r|
11130 N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCSC1 |r|
11131 N[C@@H](Cc1ccc(cc1)-c1ccccn1)C(=O)N1CCSC1 |r|
11132 N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)C(=O)N1CCSC1 |r|
11133 N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)N1CCSC1 |r|
11134 N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N1CCSC1 |r|
11135 N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCSC1 |r|
11136 N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCSC1 |r|
11137 N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCSC1 |r|
11138 N[C@@H](Cc1cccc2ccccc12)C(=O)N1CCSC1 |r|
11139 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCSC1 |r|
11140 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11141 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11142 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2c1 |r|
11143 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nncn2c1 |r|
11144 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
11145 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|
11146 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
11147 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nccn2n1 |r|
11148 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2nc(C)nn2c1 |r|
11149 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc2ncnn2c1C |r|
11150 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(C)c2ncnn2c1 |r|
11151 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
11152 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
11153 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc2ncnn2c1 |r|
11154 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2ncnc2c1 |r|
11155 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccn2nccc2n1 |r|
11157 N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1ccc(F)c(F)c1 |r|
11158 CCc1nnc2CN(CCn12)C(=O)C[C@H](N)Cc1ccc(F)c(F)c1 |r|
11159 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(F)c(F)c1 |r|
11160 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)ccc1F |r|
11161 N[C@@H](CC(=O)N1CCn2cnnc2C1)Cc1cc(F)c(F)cc1F |r|
11162 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
11163 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)C(F)(F)F)Cc1cc(F)c(F)cc1F |r|
11164 N[C@@H](CC(=O)N1CCn2c(CC(F)(F)F)nnc2C1)Cc1cc(F)ccc1F |r|
11165 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
11166 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11167 CCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11168 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)c1 |r|
11169 CCOC(=O)Cn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11170 CCOC(=O)C(F)(F)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11171 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(c1)-c1ccc(F)cc1 |r|
11172 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1F |r|
11173 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1C |r|
11174 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1C |r|
11175 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)c(=O)n(C)c1 |r|
11176 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(Br)c(=O)n(C)c1 |r|
11177 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1F |r|
11178 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1C |r|
11179 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)cc1CO |r|
11180 COc1cc(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11181 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cn(C)c(=O)c(Cl)c1F |r|
11182 CCOC(=O)Nc1c(F)c(=O)n(C)cc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11183 C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11184 C[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11185 C[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11186 C[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11187 C[C@H]([C@H]([NH3+])C(=O)N1CCC(F)CC1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
11188 [NH3+][C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11189 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11190 [NH3+][C@@H]([C@@H](CO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11191 CN(C)C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11192 [NH3+][C@@H]([C@@H](CN1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11193 [NH3+][C@@H]([C@@H](C(O)=O)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11194 COC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11195 NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11196 CNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11197 Cc1onc(C2CCCNC2)c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1
11198 [NH3+][C@@H]([C@@H](c1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11199 CCNC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11200 CC(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11201 [NH3+][C@@H]([C@@H](C(=O)NC1CC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11202 [NH3+][C@@H]([C@@H](C(=O)NCCO)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11203 [NH3+][C@@H]([C@@H](C(=O)Nc1nnn[nH]1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11204 CCN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11205 CCN(CC)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11206 [NH3+][C@@H]([C@@H](C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11207 [NH3+][C@@H]([C@@H](C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CC[C@H](F)C1 |r|
11208 CON(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11209 CN(C)NC(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11210 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11211 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11212 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11213 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11214 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11215 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11216 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCSC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11217 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCS(=O)(=O)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11218 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCC[C@H]1C#N)c1ccc(cc1)-c1ccc(F)cc1 |r|
11219 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCCCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11220 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CCOCC1)c1ccc(cc1)-c1ccc(F)cc1 |r|
11221 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|
11222 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|
11223 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|
11224 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C#N |r|
11225 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|
11226 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|
11227 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|
11228 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|
11229 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
11230 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
11231 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
11232 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |r|
11233 C[C@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
11234 CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11235 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11236 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11237 CC(C)C(NC(=O)c1cc(C)[o+][n-]1)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
11238 CC(C)[C@H](NC(=O)c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11239 CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11240 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11241 O[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O |r|
11242 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
11243 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 |r|
11244 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccc(F)cc1 |r|
11245 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccccc1 |r|
11246 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 |r|
11247 CN1CCC(=CC1)c1ccnc(OCc2c(C)onc2-c2ccccc2)c1 |c:4|
11248 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
11249 CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
11250 Cc1onc(C2CCCNC2)c1COc1ccc(cn1)C(=O)N1CCC[C@@H]1CO |r|
11251 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 |r|
11252 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccc(F)cc1 |r|
11253 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccccc1 |r|
11254 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 |r|
11255 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
11256 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
11257 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
11258 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
11259 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)-c1ccccc1 |r|
11260 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(=O)=O |r|
11261 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C |r|
11262 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(OC)cc1OC |r|
11263 CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc2OCOc2c1 |r|
11264 Clc1cc(Cl)cc(NC(=O)CSc2nccc(n2)-c2csc(n2)-c2ccccc2)c1
11265 Cn1nc(cc1C(F)(F)F)-c1ccc(s1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
11266 CSc1sc(c(C)c1-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1)-c1nc(C)cs1
11267 CSc1sc(c(C)c1-c1ccnc(SCC(=O)Nc2ccccc2Cl)n1)-c1nc(C)cs1
11268 Cc1nc(cs1)-c1nc(cs1)-c1ccnc(SCC(=O)Nc2ccc(Cl)cc2)n1
11269 Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2)cc1
11270 FC(F)(F)c1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccc(Cl)cc2Cl)cc1
11271 Clc1ccc(NC(=O)CSc2nccc(n2)-c2cc(no2)-c2ccccc2Cl)cc1
11272 CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1
11273 COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
11274 CC(C)c1ccc(NC(=O)CSc2nccc(n2)-c2cccs2)cc1
11275 COc1ccc(NC(=O)CSc2nc(cc(=O)[nH]2)-c2ccccc2)cc1OC
11276 COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c(=O)c1C#N
11277 CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1cccc(c1)C(C)=O
11278 Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1
11279 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1
11280 CC(C)c1ccc(NC(=O)CSc2nccc(n2)-c2csc(COc3ccccc3Cl)n2)cc1
11281 COC(OC)c1cc(=O)[nH]c(SCC(=O)Nc2ccc(cc2)C(F)(F)F)n1
11282 CCCCc1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c(C)c1
11283 FC(F)(F)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
11284 CCOC(=O)c1cnc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)nc1N
11285 CCOc1ccc(cc1)-n1c(O)cc(Sc2nc(C)cc(C)n2)c1O
11286 COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[nH]c(=O)c1C#N
11287 CC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1
11288 CC(C)(C)c1ccc(NC(=O)CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)cc1
11289 COc1ccc(cc1)-c1ccnc(SCC(=O)Nc2ccc(cc2)C(C)C)n1
11290 Cc1cc(nc(SCC(=O)Nc2ccc(Cl)cc2F)n1)C(F)(F)F
11291 Cc1nc(SCC(=O)Nc2ccc(cc2)[N+]([O-])=O)[n-]c(=[OH+])c1C
11292 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
11293 Cl\[#6](Cl)=[#6](\Cl)-[#6](=O)-[#8]-c1ccc(cc1)S(=O)(=O)c1ccc(-[#8]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1
11294 Nc1ncc(c(N)n1)S(=O)(=O)c1ccc(Cl)cc1
11295 [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F
11296 Cc1nc(c(C#N)c(C)c1[N+]([O-])=O)S(=O)(=O)c1ccccc1
11297 Cc1ccc(cc1)S(=O)(=O)c1nc(C)c(c(C)c1C#N)[N+]([O-])=O
11298 [O-][N+](=O)c1ccc([n+]([O-])c1)S(=O)(=O)c1ccc(Cl)cc1
11299 CCOC(=O)C(C=Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N=CC(C#N)C(=O)OCC)C#N |w:6.5,23.24|
11300 OC(=O)c1ccc(cc1)S(=O)(=O)c1cc(Br)c(O)c(Br)c1
11301 CC(=O)c1ccccc1S(=O)(=O)c1ccccc1C(O)=O
11302 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
11303 CCOC(=O)C(C=Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N=CC(C(=O)OCC)C(=O)OCC)C(=O)OCC |w:7.7,23.24|
11304 FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1
11305 Cc1[n-][o+]c(NC(=O)c2ccc(s2)-c2cc(nn2C)C(F)(F)F)c1[N+]([O-])=O
11306 Cc1oc(cc1-c1cc(NS(=O)(=O)c2cccs2)[nH]n1)C(C)(C)C
11307 CSc1n[nH]c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(Cl)cc1
11308 CC1(C)Cc2c(sc(NCc3ccco3)c2C(=O)C1)C#N
11309 CSc1nn(c(-c2cccs2)c1C#N)-c1c(c(C)nn1C)[N+]([O-])=O |(4.14,6.57,;2.6,6.57,;1.69,5.32,;2.17,3.86,;.92,2.95,;-.32,3.86,;-1.86,3.86,;-2.95,2.76,;-4.32,3.46,;-4.09,4.98,;-2.57,5.23,;.15,5.32,;-.75,6.57,;-1.52,7.9,;.92,1.41,;-.11,.27,;.65,-1.07,;.02,-2.47,;2.16,-.75,;2.33,.78,;3.66,1.54,;-1.64,.44,;-2.56,-.8,;-2.26,1.92,)|
11310 Clc1ccc(s1)-c1csc(CS(=O)(=O)c2cccs2)n1
11311 Cc1nn(C)c(NCc2ccc(s2)-c2cccs2)c1[N+]([O-])=O
11312 O=C(CC1=NCCS1)c1nccs1 |t:3|
11313 Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c12)[N+]([O-])=O
11314 Oc1cccc2oc3c(ccc(O)c3c(=O)c12)[N+]([O-])=O
11315 Nc1ccc(N)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
11316 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12
11317 Oc1cccc2oc3cccc(O)c3c(=O)c12
11318 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
11319 OC(=O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc21
11320 OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(OC(F)(F)C(F)F)c2)n1
11321 NCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
11322 Clc1cccc(Nc2nccc(n2)-c2ccnc(NCCc3cnc[nH]3)c2)c1
11323 Brc1c(Br)c(Br)c2[nH]nnc2c1Br
11324 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r|
11325 ONC(=O)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
11326 CC(=O)Oc1ccc(cc1)[N+]([O-])=O
11327 ONC(=O)CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
11328 COc1ccc(cc1)S(=O)(=O)NCC(=O)NO
11329 ONC(=O)CN(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
11330 ONC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
11331 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccccc1
11332 CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11333 CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11334 COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
11335 CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11336 CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11337 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
11338 CC(C)C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11339 CC(C)C(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11340 COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
11341 CC(C)C(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11342 CC(C)C(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11343 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(C)C)C(=O)NO |r|
11344 CC(C)CC(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11345 CC(C)CC(NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11346 COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
11347 CC(C)CC(N(Cc1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11348 CC(C)CC(N(Cc1ccccc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11349 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
11350 ONC(=O)CN(Cc1ccccc1N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
11351 ONC(=O)CN(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
11352 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccccc1N(=O)=O
11353 ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
11354 ONC(=O)CN(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
11355 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)N(=O)=O
11356 CC(N(Cc1ccccc1N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11357 CC(N(Cc1ccccc1N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11358 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1[N+]([O-])=O)[C@@H](C)C(=O)NO |r|
11359 CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11360 CC(N(Cc1ccc(cc1)N(=O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11361 COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)N(=O)=O)C(C)C(=O)NO
11362 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11363 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)NO
11364 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1Cl)C(C)C(=O)NO
11365 CS(=O)(=O)NO
11366 ONS(=O)(=O)C(F)(F)F
11367 ONS(=O)(=O)C(Cl)(Cl)Cl
11368 ONS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
11369 ONS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
11370 CN(C)S(=O)(=O)NO
11371 ONS(=O)(=O)Cc1ccccc1
11372 ONS(=O)(=O)c1ccccc1
11373 ONS(=O)(=O)c1ccc(F)cc1
11374 ONS(=O)(=O)c1ccc(Cl)cc1
11375 ONS(=O)(=O)c1ccc(Br)cc1
11376 ONS(=O)(=O)c1ccc(I)cc1
11377 Cc1ccc(cc1)S(=O)(=O)NO
11378 ONS(=O)(=O)c1ccc(cc1)N(=O)=O
11379 ONS(=O)(=O)c1cccc(c1)N(=O)=O
11380 ONS(=O)(=O)c1ccccc1N(=O)=O
11381 ONS(=O)(=O)c1ccc(c(Cl)c1)N(=O)=O
11382 CC(=O)Nc1ccc(cc1)S(=O)(=O)NO
11383 Nc1ccc(cc1)S(=O)(=O)NO
11384 COc1ccc(cc1N)S(=O)(=O)NO
11385 COc1ccc(cc1)S(=O)(=O)NO
11386 Cc1cc(C)c(c(C)c1)S(=O)(=O)NO
11387 ONS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
11388 ONS(=O)(=O)c1cccc(c1)C(F)(F)F
11389 ONS(=O)(=O)c1ccccc1C(O)=O
11390 NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7|
11391 COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:18|
11392 COCCCN1C[C@H](N)c2cc(sc2S1(=O)=O)S(N)(=O)=O |r|
11393 COCCN(CCOC)CCN1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:12|
11394 NS(=O)(=O)c1cc2C=CN(CCN3CCOCC3)S(=O)(=O)c2s1 |c:7|
11395 CC(=O)N1CCN(CCN2C=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)CC1 |c:10|
11396 CCCNCCN1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:7|
11397 CN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:10|
11398 COCCN(C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O |t:7|
11399 COCCN(CC=C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O |t:9|
11400 CCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:11|
11401 CCN1C(CN(CCOC)CCOC)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13|
11402 CN(C)c1cccc2c(cccc12)S(N)(=O)=O
11403 NS(=O)(=O)c1cc2C=CN(C\C=C\CN3CCOCC3)S(=O)(=O)c2s1 |c:7|
11404 COCCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O |t:11|
11405 CCN1C(CN(CCO)CCO)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:11|
11406 CCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:12|
11407 CCCN1C(CN(CCOC)CCOC)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:14|
11408 CCCN1C(CNCC#C)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:9|
11409 CC(C)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:12|
11410 CC(C)N1C(CNCC#C)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:9|
11411 NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1 |t:7|
11412 NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC3CC3)S(=O)(=O)c2s1 |t:7|
11413 NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(C3CCCCC3)S(=O)(=O)c2s1 |t:7|
11414 COCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13|
11415 COCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1CCOC)S(N)(=O)=O |t:10|
11416 COCCCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:14|
11417 COCCCN1C(CNC2CC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:12|
11418 COCCCN1C(Cn2ccnc2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:13|
11419 COc1ccc(CN2C(CN3CCOCC3)=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)cc1 |c:16|
11420 Cc1onc(C2CCCNC2)c1COc1ccc(cn1)C(=O)N1CCC[C@H]1CO |r|
11421 COc1cccc(c1)N1C(CNCCO)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:15|
11422 COc1ccc(cc1OC)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:20|
11423 NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3ccc(cc3)N3CCOCC3)S(=O)(=O)c2s1 |t:7|
11424 NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CCCO)S(=O)(=O)c2s1 |t:7|
11425 NS(=O)(=O)c1cc2C=C(CNCC#C)N(c3cccc(O)c3)S(=O)(=O)c2s1 |t:7|
11426 CN1C(CN2CCOCC2)=Cc2sc(cc2S1(=O)=O)S(N)(=O)=O |c:10|
11427 Cc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11428 CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)|
11429 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;.6,-2.39,;1.6,-3.56,;3.03,-2.97,;2.91,-1.44,;-3.2,7.02,;-4.53,7.79,)|
11430 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C#N)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;1.81,-2.56,;-3.2,7.02,;-4.53,7.79,)|
11431 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Cl)cnn23)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,)|
11432 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,)|
11433 CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1 |r,wU:3.2,wD:6.9,(-12.54,3.17,;-11.2,2.4,;-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;2.91,-1.4,;.38,-2.22,;-.53,.86,;-1.87,.09,)|
11434 CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1 |r,wU:5.4,wD:8.11,(-12.54,3.17,;-11.2,2.4,;-9.87,3.17,;-9.87,4.71,;-11.2,5.48,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;2.91,-1.4,;.38,-2.22,;-.53,.86,;-1.87,.09,)|
11435 CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(O[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)|
11436 CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(NC3CCCC(N)C3)nc12
11437 CC(C)COc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1
11438 CC(C)COc1cc(Nc2ccc(cc2)S(C)(=O)=O)n2ncc(C(C)C)c2n1
11439 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1Cl |r,wU:18.18,wD:15.14,(-9.87,7.79,;-8.54,7.02,;-8.54,5.48,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,;-4.53,9.33,)|
11440 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.54,7.02,;-8.56,5.48,;-10.04,5.04,;-10.92,6.3,;-9.99,7.53,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)|
11441 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncc(Br)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.54,7.02,;-9.87,7.79,;-11.2,7.02,;-11.2,5.48,;-9.87,4.71,;-8.54,5.48,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)|
11442 CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1
11443 CC(C)c1cnn2c(Nc3ccc(cc3)S(C)(=O)=O)cc(Cl)nc12
11444 Brc1cccc(c1)-c1cc(NCc2ccncc2)n2nccc2n1
11445 COc1ccc(cc1Nc1ncc(o1)-c1cccc(c1)-c1cccnc1)S(=O)(=O)NCC1CC1
11447 NS(=O)(=O)c1ccc(Nc2cc(OCC3CCCCC3)nc3ncnn23)cc1
11448 NS(=O)(=O)c1ccc(Nc2cc(OC3CCCCC3)nc3ncnn23)cc1
11449 NS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3ncnn23)cc1
11450 NS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](O)CC3)nc3ncnn23)cc1 |r,wU:16.16,wD:13.12,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-5.97,-6.34,;-5.97,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
11451 CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1
11452 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;.68,6.76,;2.17,5.61,;1.45,3.88,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|
11453 CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:15.14,wD:18.18,(2.02,7.53,;.68,6.76,;-.65,7.53,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
11454 CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:13.12,wD:16.16,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
11455 N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;2.17,5.61,;1.45,3.88,;.68,6.76,;-.65,7.53,;-.65,9.07,;.68,9.84,;2.02,9.07,;2.02,7.53,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|
11456 Cc1onc(C2CNCC(F)C2)c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1
11457 Brc1cccc(c1)-c1cc(NCc2ccncc2)[n+]2[nH]cnc2n1
11458 N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2cccc(I)c2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;1.5,8.38,;1.5,9.92,;.17,10.69,;-1.17,9.92,;-2.5,10.69,;-1.17,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
11459 N[C@H]1CC[C@@H](CC1)Nc1nc(NCC2CC2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;.83,9,;-.7,8.88,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
11460 N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
11461 C[C@@H](Nc1nc(N[C@H]2CC[C@H](N)CC2)nc2n(cnc12)C1CCCC1)c1ccccc1 |r,wU:10.10,wD:7.6,1.0,(-.23,7.55,;.17,6.07,;-1.17,5.3,;-1.17,3.76,;-2.5,2.99,;-2.5,1.45,;-3.83,.68,;-5.17,1.45,;-5.21,2.99,;-6.57,3.72,;-7.88,2.91,;-9.23,3.64,;-7.83,1.37,;-6.48,.64,;-1.17,.68,;.17,1.45,;1.63,.97,;2.54,2.22,;1.63,3.46,;.17,2.99,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;1.71,6.07,;2.48,7.4,;4.02,7.4,;4.79,6.07,;4.02,4.73,;2.48,4.73,)|
11462 CC(C)C[C@H](NC(=O)\C=C\c1ccco1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
11463 [H][C@@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccc(F)cc1F)[C@H](N)C(=O)N1CC[C@H](F)C1 |r,wU:4.7,19.21,1.0,wD:1.1,26.28,(1.34,.92,;-.05,.24,;-.05,1.79,;-1.38,2.56,;-2.72,1.79,;-2.72,.24,;-1.38,-.53,;-4.05,2.56,;-5.38,1.78,;-6.47,.7,;-4.29,.7,;-6.72,2.55,;-6.72,4.1,;-8.05,4.87,;-9.38,4.1,;-10.72,4.87,;-9.38,2.55,;-8.05,1.78,;-8.05,.24,;1.29,-.53,;1.29,-2.07,;2.62,.24,;2.62,1.78,;3.95,-.53,;5.2,.38,;6.44,-.53,;5.97,-1.99,;6.87,-3.24,;4.43,-1.99,)|
11464 CC[C@H](C)[C@H](N)C(=O)N1CCSC1 |r|
11465 CC[C@@H](C)[C@H](N)C(=O)N1CCSC1 |r|
11466 C[C@H]([C@H](N)C(=O)N1CCSC1)c1ccccc1 |r|
11467 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1 |r|
11468 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccccc1F |r|
11469 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1F |r|
11470 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1Cl |r|
11471 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1C(F)(F)F |r|
11472 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(F)c1 |r|
11473 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cccc(Cl)c1 |r|
11474 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1cc(F)cc(F)c1 |r|
11475 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(F)c1 |r|
11476 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)c(Cl)c1 |r|
11477 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(F)cc1 |r|
11478 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Br)cc1 |r|
11479 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(Cl)cc1 |r|
11480 CSc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11481 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F |r|
11482 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)S(C)(=O)=O |r|
11483 COc1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11484 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1 |r|
11485 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(c(F)c1)-c1ccccc1 |r|
11486 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N1CCCCC1 |r|
11487 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-n1cccn1 |r|
11488 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1nccs1 |r|
11489 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccn1 |r|
11490 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccnc1 |r|
11491 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccncc1 |r|
11492 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cncnc1 |r|
11493 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1F |r|
11494 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1Cl |r|
11495 COc1ccccc1-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11496 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
11497 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccccc1C |r|
11498 CCOC(=O)c1cccc(c1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11499 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1 |r|
11500 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(O)=O |r|
11501 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O |r|
11502 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)S(N)(=O)=O |r|
11503 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1 |r|
11504 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)C(N)=O |r|
11505 Cc1onc(C2CNCC(Cl)C2)c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1
11506 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F |r|
11507 COc1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11508 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(C)cc1 |r|
11509 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1 |r|
11510 CCOC(=O)c1ccc(cc1)-c1ccc(cc1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11511 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)C(O)=O |r|
11512 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
11513 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)cc(F)c1 |r|
11514 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cc(F)ccc1F |r|
11515 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)c(F)c1 |r|
11516 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1F |r|
11517 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-n1cnnn1 |r|
11518 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnco1 |r|
11519 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1n[nH]c(=O)[nH]1 |r|
11520 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1c[nH]c(=O)[nH]1 |r|
11521 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnc[nH]1 |r|
11522 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1noc(n1)C1CC1 |r|
11523 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nnn[nH]1 |r|
11524 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1cccc(c1)-c1nc(=O)o[nH]1 |r|
11525 CC(C)(C=C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11526 NCC(=O)N1CCCC1C(=O)Nc1ccc(cc1)[N+]([O-])=O
11527 CCC(CC)(C=C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11528 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCC1)C=C |r|
11529 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C=C |r|
11530 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCC1)C=C |r|
11531 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCCCC1)C=C |r|
11532 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCOCC1)C=C |r|
11533 CCC(C)(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11534 CCC(CC)(CC)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11535 CCC1(CCCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11536 CCC1(CCOCC1)[C@H](N)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11537 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCC1 |r|
11538 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCC1 |r|
11539 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CO)CCCCC1 |r|
11540 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C1(CCCC1)C(O)CO |r|
11541 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:19.20.18,17:18:16.15.21:13,15:14:16.21.17:20|
11542 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:15:16:21:20.13.14,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21|
11543 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:21:14:23:18.22.19,21:19:14.15.13:23,20:19:14.15.13:23,17:16:14.13.21:22,15:16:14.13.21:22,THB:15:14:22:18.23.16|
11544 N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(F)(C3)C1)C2 |r,TLB:15:16:14.20.13:21,THB:17:16:13:20.21.18,17:18:16.15.22:13,19:18:16.15.22:13,15:14:16.22.17:21|
11545 ONC(=O)C1CCS(=O)(=O)N1c1ccc(cc1)-c1ccccc1
11546 ONC(=O)[C@H]1CCS(=O)(=O)N1Cc1ccc(cc1)-c1ccccc1 |r|
11547 ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
11548 COc1ccc(cc1)-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
11549 ONC(=O)C1CCS(=O)(=O)N1Cc1ccc(cc1)-c1cc(Cl)cc(Cl)c1
11550 Cc1ccccc1-c1ccc(CN2C(CCS2(=O)=O)C(=O)NO)cc1
11551 COc1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
11552 ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccc(Cl)cc1 |r|
11553 CC(C)(C)c1ccc(cc1)-c1ccc(CN2[C@H](CCCS2(=O)=O)C(=O)NO)cc1 |r|
11554 ONC(=O)[C@H]1CCCS(=O)(=O)N1Cc1ccc(cc1)-c1ccncc1 |r|
11555 NCC1(CCCC1)c1ccccc1
11556 NCC(N1CCOCC1)c1ccccc1Cl
11557 N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1)Cc1ccccc1 |r|
11558 N[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(N)=O)Cc1ccccc1F |r|
11559 N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1)Cc1ccccc1F |r|
11560 NCc1c(N)nc(nc1-c1ccc2OCOc2c1)-c1ccccc1
11561 CC(N)C(=O)N1CCCC1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
11562 NCc1c(N)nc(nc1-c1ccccc1)-c1ccccc1
11563 Cc1ccccc1-c1nc(nc(N)c1CN)-c1ccccc1
11564 Cc1cccc(c1)-c1nc(nc(N)c1CN)-c1ccccc1
11565 Cc1ccc(cc1)-c1nc(nc(N)c1CN)-c1ccccc1
11566 NCc1c(N)nc(nc1-c1ccccc1Cl)-c1ccccc1
11567 NCc1c(N)nc(nc1-c1cccc(Cl)c1)-c1ccccc1
11568 NCc1c(N)nc(nc1-c1ccc(Cl)cc1)-c1ccccc1
11569 COc1ccccc1-c1nc(nc(N)c1CN)-c1ccccc1
11570 COc1cccc(c1)-c1nc(nc(N)c1CN)-c1ccccc1
11571 COc1ccc(cc1)-c1nc(nc(N)c1CN)-c1ccccc1
11572 NCc1c(N)nc(nc1-c1ccccc1F)-c1ccccc1
11573 NCc1c(N)nc(nc1-c1cccc(F)c1)-c1ccccc1
11574 NCc1c(N)nc(nc1-c1ccc(F)cc1)-c1ccccc1
11575 NCc1c(N)nc(nc1-c1ccccc1C(F)(F)F)-c1ccccc1
11576 NCc1c(N)nc(nc1-c1cccc(c1)C(F)(F)F)-c1ccccc1
11577 NCc1c(N)nc(nc1-c1ccc(cc1)C(F)(F)F)-c1ccccc1
11578 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1
11579 Cc1ccccc1-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11580 Cc1cccc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11581 Cc1ccc(cc1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11582 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(Cl)c1
11583 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
11584 COc1ccccc1-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11585 COc1cccc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11586 COc1ccc(cc1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11587 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccccc1F
11588 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(F)c1
11589 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(F)cc1
11590 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1cccc(c1)C(F)(F)F
11591 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(cc1)C(F)(F)F
11592 NCc1c(N)nc(nc1-c1ccc(Cl)cc1Cl)-c1ccc(F)c(F)c1
11593 COc1cc(OC)cc(c1)-c1nc(N)c(CN)c(n1)-c1ccc(Cl)cc1Cl
11596 CC(=O)Nc1ccc(cc1F)S(N)(=O)=O
11597 CC(=O)Nc1ccc(cc1Cl)S(N)(=O)=O
11598 CC(=O)Nc1ccc(cc1Br)S(N)(=O)=O
11599 CC(=O)Nc1ccc(cc1I)S(N)(=O)=O
11600 Cc1onc(c1CNc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1
11601 Cc1onc(c1CNc1ccc(cn1)C(=O)N1CC2CC(C1)O2)-c1ccc(F)cc1
11602 Cc1onc(c1CNc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(Cl)cc1
11603 Cc1onc(C2CCCCN2)c1CNc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1
11604 O=c1c(nc2ccccc2n1C1CCN(CC1)C1CCCCCCC1)N1CCOCC1
11605 Nc1c(F)cc(cc1Cl)S(N)(=O)=O
11606 Nc1c(F)cc(cc1Br)S(N)(=O)=O
11607 Nc1c(F)cc(cc1I)S(N)(=O)=O
11608 Nc1c(Cl)cc(cc1Cl)S(N)(=O)=O
11609 Nc1c(Cl)cc(cc1Br)S(N)(=O)=O
11610 Nc1c(Cl)cc(cc1I)S(N)(=O)=O
11611 Nc1c(Br)cc(cc1Br)S(N)(=O)=O
11612 Nc1c(Br)cc(cc1I)S(N)(=O)=O
11613 Nc1c(I)cc(cc1I)S(N)(=O)=O
11614 CC(C)(C)OC(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
11615 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11616 CC(=O)Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11617 CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11618 CC(=O)Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11619 CC(=O)Nc1ccc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11620 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
11621 Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11622 Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11623 Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11624 Nc1ccc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11625 Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11626 Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11627 Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11628 Nc1c(Cl)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11629 Nc1c(Cl)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11630 Nc1c(Cl)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11631 Nc1c(Br)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11632 Nc1c(Br)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11633 Nc1c(I)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11634 Cn1nc(sc1=NC(=O)c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
11635 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
11636 CCN(CC)CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
11637 C[C@]12CCC3C(CCc4cc(OS(N)(=O)=O)ccc34)C1CCC2=O |r|
11638 CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
11639 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
11640 NS(=O)(=O)c1ccc(NC(=S)NNc2c(F)c(F)c(F)c(F)c2F)cc1
11641 Cc1cc(C)[n+](CCc2ccc(cc2)S(N)(=O)=O)c(C)c1
11642 N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
11643 CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1 |r|
11644 N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r|
11645 Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
11646 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1 |r|
11647 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)F |r|
11648 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1OC(F)(F)F |r|
11649 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1F |r|
11650 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1C(F)(F)F |r|
11651 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccccc1Cl |r|
11652 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cccc(c1)C(F)(F)F |r|
11653 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1 |r|
11654 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(OC(F)(F)F)cc1 |r|
11655 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)C(F)(F)F |r|
11656 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F |r|
11657 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(N)(=O)=O |r|
11658 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1)S(C)(=O)=O |r|
11659 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1 |r|
11660 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1cc(Cl)cc(Cl)c1 |r|
11661 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1F |r|
11662 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Cl)cc1Cl |r|
11663 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(Br)cc1Cl |r|
11664 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(F)cc1Cl |r|
11665 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
11666 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
11667 C[C@@H]([C@H](N)C(=O)N1CCCC1)c1nc(no1)-c1ccc(cc1F)S(C)(=O)=O |r|
11668 C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc(o1)-c1ccc(Cl)cc1Cl |r|
11669 C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1noc(n1)-c1ccc(Cl)cc1Cl |r|
11670 C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nc(co1)-c1ccc(Cl)cc1Cl |r|
11671 C[C@@H]([C@H]([NH3+])C(=O)N1CCCC1)c1nnc([nH]1)-c1ccc(Cl)cc1Cl |r|
11672 C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
11673 C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@@H](F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
11674 C[C@@H]([C@H]([NH3+])C(=O)N1CCC(F)(F)C1)c1nc(no1)-c1ccc(NS(C)(=O)=O)cc1Cl |r|
11675 C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
11676 CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
11677 CC(C)C[C@@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1nc(no1)-c1ccc(cc1Cl)S(C)(=O)=O |r|
11678 CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CCO)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(Cl)c1 |r|
11679 CS(=O)(=O)c1ccc(cc1)-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r|
11680 Cc1cc(ccc1-c1noc(n1)[C@@H](CC1CC1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1)S(C)(=O)=O |r|
11681 CS(=O)(=O)c1ccc(-c2noc(n2)[C@@H](CC2CC2)[C@H]([NH3+])C(=O)N2CC[C@H](F)C2)c(F)c1 |r|
11682 CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
11683 [H][C@@]12N(C)c3ccc(OC(=O)NC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11684 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11685 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11686 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11687 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4C(C)C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11688 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccccc4CCC)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11689 [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11690 [H][C@@]12N(C)c3ccc(OC(=O)Nc4cccc(CC)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11691 [H][C@@]12N(C)c3ccc(OC(=O)Nc4ccc(C)cc4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11692 [H][C@@]12N(C)c3ccc(OC(=O)Nc4c(C)cccc4C)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11693 [H][C@@]12N(C)c3ccc(OC(=O)Nc4cc(C)cc(C)c4)cc3[C@]1(C)CC[N+]2(C)[O-] |r|
11694 N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r|
11695 OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4|
11696 O=C(CNCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|
11697 O=C(CNCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|
11698 COc1cc2CCN(Cc2cc1OC)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
11699 Fc1ccc2CN(CCc2c1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
11700 O=C(CCNCC(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|
11701 Fc1cc(F)cc(c1)C(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
11702 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCNCC(=O)N1CCC[C@H]1C#N |r|
11703 O=C(CNCCC(=O)N1CCN(CC1)N1CC=CC(=C1)C#N)N1CCC[C@H]1C#N |r,c:17,19|
11704 O=C(CNCCC(=O)N1CCN(CC1)c1nc2ccccc2s1)N1CCC[C@H]1C#N |r|
11705 O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCc1ccccc1 |r|
11706 [O-][N+](=O)c1ccc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)cc1 |r|
11707 CCC(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
11708 Fc1cc(F)cc(CNC(=O)CCNCC(=O)N2CCC[C@H]2C#N)c1 |r|
11709 CC(C)C(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
11710 CC(C)(NC(=O)CCNCC(=O)N1CCC[C@H]1C#N)c1ccccc1 |r|
11711 O=C(CCNCC(=O)N1CCC[C@H]1C#N)NCCc1ccccc1 |r|
11712 O=C(CCNCC(=O)N1CCC[C@H]1C#N)Nc1ccccc1 |r|
11713 O=C(CNCCCC(=O)N1CCc2ccccc2C1)N1CCC[C@H]1C#N |r|
11714 C[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
11715 CC(C)[C@@H](CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
11716 CC(C)(CC(=O)N1CCc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
11717 CC(C)(CC(=O)N1CCc2cc(F)ccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
11718 CC(C)(CC(=O)N1CCc2cc(F)cc(F)c2C1)NCC(=O)N1CCC[C@H]1C#N |r|
11719 CC(C)(CC(=O)N1Cc2ccccc2C1)NCC(=O)N1CCC[C@H]1C#N |r|
11720 CC(C)(CC(=O)NC(C)(C)c1ccccc1)NCC(=O)N1CCC[C@H]1C#N |r|
11721 CC(N(Cc1ccccc1Cl)S(C)(=O)=O)C(O)=O
11722 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F)C(O)=O
11723 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl)C(O)=O
11724 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O
11725 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O
11726 CC(N(Cc1ccccc1Cl)S(=O)(=O)N(C)C)C(O)=O
11727 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1)C(O)=O
11728 CC(N(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1)C(O)=O
11729 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1)C(O)=O
11730 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)C(O)=O
11731 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)C(O)=O
11732 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(I)cc1)C(O)=O
11733 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)C(O)=O
11734 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O
11735 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
11736 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(O)=O
11737 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(c(Cl)c1)[N+]([O-])=O)C(O)=O
11738 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(O)=O
11739 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O
11740 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(O)=O
11741 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(O)=O
11742 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(O)=O
11743 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl)C(O)=O
11744 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1Cl)C(C)C(O)=O
11745 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(C)cc(C)cc1C)C(O)=O
11746 COc1ccc(cc1NC(=O)OC(C)(C)C)S(=O)(=O)N(Cc1ccccc1Cl)C(C)C(O)=O
11747 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)C(O)=O
11748 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(c1)C(O)=O)C(O)=O
11749 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)C(O)=O)C(O)=O
11750 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2ccccc12)C(O)=O
11751 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1)C(O)=O
11752 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2c(cccc12)N(C)C)C(O)=O
11753 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1)C(O)=O
11754 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2cccnc12)C(O)=O
11755 CC(N(Cc1ccccc1Cl)S(C)(=O)=O)C(=O)NO
11756 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)F)C(=O)NO
11757 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(Cl)(Cl)Cl)C(=O)NO
11758 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(N)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:24:2.3|
11759 CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
11760 CC(N(Cc1ccccc1Cl)S(=O)(=O)N(C)C)C(=O)NO
11761 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1)C(=O)NO
11762 CC(N(Cc1ccccc1Cl)S(=O)(=O)Cc1ccccc1)C(=O)NO
11763 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1)C(=O)NO
11764 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)C(=O)NO
11765 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)C(=O)NO
11766 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(I)cc1)C(=O)NO
11767 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)C(=O)NO
11768 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NO
11769 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NO
11770 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)NO
11771 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(c(Cl)c1)[N+]([O-])=O)C(=O)NO
11772 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)NO
11773 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)NO
11774 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)NO
11775 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
11776 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)NO
11777 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NO
11778 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
11779 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1c(C)cc(C)cc1C)C(=O)NO
11780 COc1ccc(cc1NC(=O)OC(C)(C)C)S(=O)(=O)N(Cc1ccccc1Cl)C(C)C(=O)NO
11781 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cc(Cl)cc(Cl)c1O)C(=O)NO
11782 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc(c1)C(=O)NO)C(=O)NO
11783 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)C(=O)NO)C(=O)NO
11784 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2ccccc12)C(=O)NO
11785 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO
11786 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)NO
11787 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccs1)C(=O)NO
11788 CC(N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2cccnc12)C(=O)NO
11789 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(F)cc1)C(O)=O
11790 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(O)=O
11791 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(O)=O
11792 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccccc1C)C(O)=O
11793 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1)C(O)=O
11794 CC(N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1)C(O)=O
11795 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1)C(O)=O
11796 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F)C(O)=O
11797 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1)C(O)=O
11798 CC(N(Cc1ccccc1Cl)C(=O)Nc1cccc2ccccc12)C(O)=O
11799 CC(N(Cc1ccccc1Cl)Sc1ccc(cc1)[N+]([O-])=O)C(O)=O
11800 CC(N(Cc1ccccc1Cl)Sc1ccccc1[N+]([O-])=O)C(O)=O
11801 CC(N(Cc1ccccc1Cl)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
11802 CC(N(Cc1ccccc1Cl)C(=S)NC(=O)c1ccccc1)C(O)=O
11803 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)NO
11804 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NO
11805 C[C@H](N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)NO |r|
11806 CC(N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccccc1C)C(=O)NO
11807 C[C@H](N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1)C(=O)NO |r|
11808 CC(N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1)C(=O)NO
11809 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1)C(=O)NO
11810 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F)C(=O)NO
11811 CC(N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NO
11812 CC(N(Cc1ccccc1Cl)C(=O)Nc1cccc2ccccc12)C(=O)NO
11813 C[C@H](N(Cc1ccccc1Cl)Sc1ccc(cc1)[N+]([O-])=O)C(=O)NO |r|
11814 CC(N(Cc1ccccc1Cl)Sc1ccccc1[N+]([O-])=O)C(=O)NO
11815 CC(N(Cc1ccccc1Cl)Sc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NO
11816 CC(N(Cc1ccccc1Cl)C(=S)NC(=O)c1ccccc1)C(=O)NO
11817 CN(C)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r|
11818 CC1(C)CCCNC1c1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r|
11819 Oc1ccc(cc1C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1)N1CCCCC1 |r|
11820 CC1(C)CCCN(C1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r|
11821 CC1(C)CCN(CC1)c1ccc(O)c(c1)C(=O)c1ccc(cc1)C(=O)N[C@@H]1CCCNC[C@H]1NC(=O)c1ccncc1 |r|
11822 COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)O[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r|
11823 COc1ccc(O)c(C(=O)c2ccc(cc2)C(=O)N[C@@H]2CCCNC[C@H]2NC(=O)c2ccncc2)c1F |r|
11824 COc1ccc(O)c(C(=O)c2ccc(CO[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|
11825 COc1ccc(O)c(C(=O)c2ccc(NC[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|
11826 COc1ccc(O)c(C(=O)c2ccc(CN[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|
11827 COc1ccc(O)c(C(=O)c2ccc(\C=C\[C@@H]3CCCNC[C@H]3NC(=O)c3ccncc3)cc2)c1F |r|
11828 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@@H](N)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
11829 [H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(N)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
11830 [H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(NC[C@@H](O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:27:2.3|
11831 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
11832 [H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(N[C@@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
11833 NCC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1c[nH]c3ccccc13)c1ccccc21 |t:10|
11834 CN(C)CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1c[nH]c3ccccc13)c1ccccc21 |t:12|
11835 CC(=O)c1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
11836 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1)C(=O)Nc1nnc(S)s1
11837 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(S)s1
11838 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(S)s1
11839 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(S)s1
11840 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nnc(S)s1
11841 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)C(=O)Nc1nnc(S)s1
11842 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nnc(S)s1
11843 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
11844 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)Nc1nnc(S)s1
11845 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+]([O-])=O)C(=O)Nc1nnc(S)s1
11846 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)Nc1nnc(S)s1
11847 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1nnc(S)s1
11848 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)Nc1nnc(S)s1
11849 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1nnc(S)s1
11850 COc1ccc(cc1)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)Nc1nnc(S)s1
11851 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)Nc1nnc(S)s1
11852 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1nnc(S)s1
11853 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1nnc(S)s1
11854 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)Nc1nnc(S)s1
11855 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1)C(=O)Nc1nnc(S)s1
11856 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc12)C(=O)Nc1nnc(S)s1
11857 CC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)CC12CCC(CC1=O)C2(C)C)C(=O)Nc1nnc(S)s1
11858 CC(NC(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1)C(=O)Nc1nnc(S)s1
11859 CC(NC(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(S)s1
11860 CC(NC(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(S)s1
11861 CC(NC(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1nnc(S)s1
11862 CC(NC(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)C(=O)Nc1nnc(S)s1
11863 ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
11864 CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(CC1)C(=O)NO
11865 ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCNCC1
11866 COc1cccc(CN2CCC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(CC2)C(=O)NO)c1
11867 ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1
11868 ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1
11869 Cc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2(CCN(CC#C)CC2)C(=O)NO)cc1C
11870 ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
11871 CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11872 ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11873 CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11874 COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11875 ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11876 ONC(=O)C1(CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11877 ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11878 CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11879 CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11880 CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11881 CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11882 COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11883 ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11884 ONC(=O)C1(CCN(CC=C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11885 ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11886 CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11887 CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1
11888 ONC(=O)CS(=O)(=O)c1ccc(Oc2ccccc2)cc1
11889 CC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
11890 [H][C@](N)(C(C)C)C(=O)N(C)CC#N |r|
11891 [H][C@@](N)(C(=O)N(C)CC#N)C(C)(C)C |r|
11892 [H][C@@](N)(C(=O)N(CC)CC#N)C(C)(C)C |r|
11893 [H][C@@](N)(C(=O)N(CCCC)CC#N)C(C)(C)C |r|
11894 [H][C@@](N)(C(=O)N(CC=C)CC#N)C(C)(C)C |r|
11895 [H][C@@](N)(C(=O)N(CC#N)C1CC1)C(C)(C)C |r|
11896 [H][C@@](N)(C(=O)N(CC#N)C1CCC1)C(C)(C)C |r|
11897 [H][C@@](N)(C(=O)N(C)[C@@H](C)C#N)C(C)(C)C |r|
11898 [H][C@@](N)(C(=O)N(C)[C@H](C)C#N)C(C)(C)C |r|
11899 [H][C@@](N)(C(=O)N[C@@H](C)C#N)C(C)(C)C |r|
11900 [H][C@@](N)(C(=O)NC(C)(C)C#N)C(C)(C)C |r|
11901 [H][C@@](N)(C(=O)N[C@@H](C)C#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:17:16:19:11.13.12,17:12:19:16.18.15,THB:15:16:11:13.19.14,15:14:11:16.18.17|
11902 [H][C@@](N)(C(=O)NC(C)(C)C#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|
11903 [H][C@@](N)(C(=O)NCC#N)C12CC3CC(CC(C3)C1)C2 |r,TLB:16:15:18:10.12.11,16:11:18:15.17.14,THB:14:15:10:12.18.13,14:13:10:15.17.16|
11904 [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:13:14:18:17.11.12,THB:15:14:11:18.17.16,15:16:11:14.19.13,13:12:18:14.19.15|
11905 [H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|
11906 [H][C@@](N)(C(=O)N(CCC)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
11907 [H][C@@](N)(C(=O)N(CC=C)CC#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
11908 [H][C@@](N)(C(=O)N(CC#N)C1CC1)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:15:16:20:19.13.14,THB:17:16:13:20.19.18,17:18:13:16.21.15,15:14:20:16.21.17|
11909 [H][C@@](N)(C(=O)N(CC#N)Cc1ccccc1)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:19:20:24:23.17.18,THB:21:20:17:24.23.22,21:22:17:20.25.19,19:18:24:20.25.21|
11910 [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:16:20:11.13.12,18:12:20:16.19.15,17:16:11:13.20.14,17:16:20:11.13.12,THB:15:16:11:13.20.14,15:14:11:16.19.18|
11911 [H][C@@](N)(C(=O)N(CC)CC#N)[C@@]12CC3CC(CC(O)(C3)C1)C2 |r,TLB:18:17:12:14.21.15,18:17:21:12.14.13,19:17:21:12.14.13,19:13:21:17.20.16,THB:16:17:12:14.21.15,16:15:12:17.20.19|
11912 [H][C@@](N)(C(=O)N(C)CC#N)[C@@]12CC3CC(O)(CC(O)(C3)C1)C2 |r,TLB:18:17:11:14.21.13,13:14:20:19.11.12,THB:15:14:20:19.11.12,15:14:11:20.19.17,16:14:11:20.19.17,16:17:11:14.21.13,13:12:20:14.21.16|
11913 O=C([C@@H]1CCCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11914 O=C([C@@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11915 O=C([C@H]1CCCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11916 O=C([C@@H]1CCN1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11917 O=C([C@H]1NC[C@@H]2C[C@H]12)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11918 O=C([C@@H]1C[C@@H]2C[C@@H]2N1)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11919 C[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11920 CC1(C)CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11921 CC[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11922 CC(C)[C@H]1CCN[C@@H]1C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11923 CC(C)(C)OC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11924 CC(C)(C)OC(=O)N[C@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11925 O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)OCC1c2ccccc2-c2ccccc12 |r|
11926 CC(C)(C)CC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11927 Clc1ccc(cc1)S(=O)(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
11928 Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)ccc1C#N |r|
11929 Cc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1
11930 COc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1
11931 NS(=O)(=O)c1ccc(s1)S(=O)(=O)NCc1cccs1
11932 NS(=O)(=O)c1cc2C(O)CN(Cc3cccs3)S(=O)(=O)c2s1
11933 COc1ccc(cc1)N1CC(O)c2cc(sc2S1(=O)=O)S(N)(=O)=O
11934 CCN[C@H]1CN(CCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
11935 COc1cccc(c1)N1CCc2cc(sc2S1(=O)=O)S(N)(=O)=O
11936 CN[C@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
11937 CN[C@@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
11938 COc1cccc(c1)N1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O |c:10|
11939 NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
11940 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
11941 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O |r|
11942 NC(=O)C1=CN(CCC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,t:3|
11943 Cc1[nH]nc2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11944 N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11945 Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|
11946 Cn1nc2CCN(Cc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11947 N[C@@H](CC(=O)N1CCc2c(C1)c(nn2CC(F)(F)F)C(F)(F)F)Cc1cc(F)ccc1F |r|
11948 N[C@@H](CC(=O)N1CCc2nn(CC(F)(F)F)c(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11949 Cc1nn(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|
11950 Cc1c2CN(CCc2nn1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11951 N[C@@H](CC(=O)N1CCc2n[nH]c(c2C1)C(F)(F)C(F)(F)F)Cc1cc(F)ccc1F |r|
11952 Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)C(F)(F)F |r|
11953 Cn1nc2CCN(Cc2c1C(F)(F)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11954 N[C@@H](CC(=O)N1CCc2[nH]nc(c2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|
11955 Cn1nc(c2CN(CCc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)-c1ccc(F)cc1 |r|
11956 Cn1nc2CCN(Cc2c1-c1ccc(F)cc1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11957 N[C@@H](CC(=O)N1CCc2noc(c2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11958 N[C@@H](CC(=O)N1CCc2c(C1)[nH]nc2C(F)(F)F)Cc1cc(F)ccc1F |r|
11959 Cn1nc(c2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)ccc1F)C(F)(F)F |r|
11960 N[C@@H](CC(=O)N1CCc2c(C1)n[nH]c2C1CC1)Cc1cc(F)ccc1F |r|
11961 Cn1nc2CN(CCc2c1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11962 N[C@@H](CC(=O)N1CCc2c(C1)noc2C(F)(F)F)Cc1cc(F)ccc1F |r|
11963 N[C@@H](CC(=O)N1CCCc2n[nH]c(c12)C(F)(F)F)Cc1cc(F)ccc1F |r|
11964 Cc1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11965 N[C@@H](CC(=O)N1CCc2nc(sc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11966 N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|
11967 N[C@@H](CC(=O)N1CCc2nc(sc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11968 CSc1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11969 CS(=O)(=O)c1ccc(cc1)-c1nc2CCN(Cc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11970 N[C@@H](CC(=O)N1CCc2nc(oc2C1)C1CC1)Cc1cc(F)ccc1F |r|
11971 N[C@@H](CC(=O)N1CCc2sc(nc2C1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11972 N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(F)cc1)Cc1cc(F)ccc1F |r|
11973 N[C@@H](CC(=O)N1CCc2sc(nc2C1)-c1ccc(cc1)C(F)(F)F)Cc1cc(F)ccc1F |r|
11974 CS(=O)(=O)c1ccc(cc1)-c1nc2CN(CCc2s1)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
11975 N[C@@H](CC(=O)N1CCc2oc(nc2C1)C1CC1)Cc1cc(F)ccc1F |r|
11976 OC(=O)c1cc(Cl)ccc1-c1ccc(\C=c2\sc3nc(=O)c4c5CCCCc5sc4n3c2=O)o1
11977 OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2ccc(Br)cc2C(O)=O)C1=O)C(F)(F)F |c:11|
11978 O=[#6](\[#6]=[#6]\c1ccco1)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#6]-[#16]-1
11979 OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
11980 Oc1ccc(C=C2NC(=S)NC2=O)c(O)c1 |w:5.4|
11981 CSc1ccc(\C=C2/N=C(N(NS(=O)(=O)c3ccc(Cl)c(c3)C(O)=O)C2=O)c2ccccc2)cc1 |c:8|
11982 NC(CSCc1oc(cc1C(O)=O)-c1ccccc1)C(O)=O
11983 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)s1
11984 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=N/c2sc3CCCCc3c2C#N)o1
11985 Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1
11986 COc1ccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)cc1Br
11987 OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
11988 OC(=O)c1cc(Nc2nc3ccccc3s2)n(n1)-c1ccc(cc1)S(O)(=O)=O
11989 CC(C)c1ccc(C=c2c(=C)[nH]n(-c3ccc(Cl)c(c3)C(O)=O)c2=O)cc1 |w:7.6|
11990 NS(=O)(=O)c1ccc(cc1)-c1ccc(C=c2c(=O)[nH]c(O)c(C#N)c2=C)o1 |w:14.14|
11991 OC(=O)c1cc2COCOc2c(C=Nc2ccc(cc2)S(=O)(=O)NC2SCC=N2)c1 |w:13.14,c:29|
11992 OC(=O)c1cccc(c1)-c1ccc(C=C2C(=O)NN(C2=O)c2cccc(Cl)c2)o1 |w:13.13|
11993 OC(=O)c1cc(ccc1Cl)-n1[nH]c(=C)c(=Cc2ccc(o2)-c2ccc(Cl)cc2)c1=O |w:15.16|
11994 Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
11995 Cc1ccc(C)n1-c1ccc(Cl)c(c1)C(O)=O
11996 Cc1ccc(C)n1-c1ccc(CC(O)=O)cc1
11997 [#7]\[#6](-[#7])=[#7]\[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
11998 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
11999 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#7])-[#6]-[#6@@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
12000 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
12001 [#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
12002 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
12003 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@@H](-[#7])-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@H]-2-[#8])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
12004 [#7]-[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#7] |r|
12005 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H](-[#7])-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
12006 [#7]-[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
12007 [#7]-[#6@@H]-1-[#6]-[#6@H](-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
12008 [#7]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#8]-[#6@H]-2-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-2\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@@H]-1-[#8] |r|
12009 [#7]-[#6@@H]-1-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@@H]-1-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-[#6@@H]-1\[#7]=[#6](/[#7])-[#7])\[#7]=[#6](/[#7])-[#7] |r|
12010 [#7]-[#6@H]-1-[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H]-1-[#8]-[#6@H]-1-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-1\[#7]=[#6](\[#7])-[#7] |r|
12011 [#7]-[#6@@H]-1-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H](-[#8]-[#6@H]-2-[#8]-[#6@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-2\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8])-[#6@H]-1-[#8] |r|
12012 [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]-[#6@H](-[#8]-[#6@@H]-2-[#6@H](-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#8]-[#6])-[#6@H]-2-[#8]-[#6])\[#7]=[#6](/[#7])-[#7])-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#8]-[#6] |r|
12013 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1
12014 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccccc1F
12015 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1
12016 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cccc(F)c1F
12017 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)cc1F
12018 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)ccc1F
12019 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cccc1F
12020 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(F)c(F)c1F
12021 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)cc(F)cc1F
12022 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cc(F)c(F)c(F)c1
12023 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1c(F)c(F)c(F)c(F)c1F
12024 Nc1n[nH]c(N)c1\N=N\c1ccccc1
12025 Nc1n[nH]c(N)c1\N=N\c1ccccc1[N+]([O-])=O
12026 Nc1n[nH]c(N)c1\N=N\c1cccc(c1)[N+]([O-])=O
12027 Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
12028 Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
12029 Nc1n[nH]c(N)c1\N=N\c1ccccc1CO
12030 COc1nccnc1C(C)C
12031 COc1nccnc1CC(C)C
12032 Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc3OCOc3c2)cc1
12033 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc2c(-[#6])cc(=O)oc2c1 |r|
12034 Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc(Cl)cc2)cc1
12035 Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1
12036 Fc1ccc(\C=C\C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c(F)c1
12037 COc1cc(\C=C\C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(OC)c1OC
12038 Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2ccccc2)cc1
12039 Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1
12040 COc1ccc(NC(=O)Nc2ccc(cc2)C(=O)\C=C\c2cccnc2)cc1
12041 CC(C)C[C@H](NC(CCCNC(N)=N)C=O)C(=O)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
12042 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
12043 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 |r|
12044 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CSCCCc1ccccc1 |r|
12045 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CCCCCc1ccccc1 |r|
12046 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)CSCCCc1ccccc1 |r|
12047 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1)C=O |r|
12048 OC(=O)C1CCN(C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
12049 Cc1cccc(c1-c1ccccc1)S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
12050 Cc1ccccc1-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
12051 Cc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
12052 Cc1ccc(cc1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
12053 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1cccc2ccccc12)C=O |r|
12054 CC(=O)Nc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
12055 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1-c1ccccc1)C=O |r|
12056 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccccc1)C=O |r|
12057 Cc1ccccc1Oc1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r|
12058 Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r|
12059 Cc1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
12060 Cc1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1C |r|
12061 Cc1cc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc(C)c1C |r|
12062 CC(C)c1cccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)c1 |r|
12063 CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
12064 CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r|
12065 CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
12066 CCC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1C |r|
12067 CCC(CC)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r|
12068 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCC1)C=O |r|
12069 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)C1CCCCC1)C=O |r|
12070 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccccc1)C=O |r|
12071 OC(=O)C[C@H](NS(=O)(=O)c1ccccc1Oc1ccc(cc1)-c1ccc(cc1)C(O)=O)C=O |r|
12072 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@@H](C(C)C)P(O)(O)=O |r|
12073 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)P(O)(O)=O |r|
12074 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
12075 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
12076 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r|
12077 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO |r|
12078 CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
12079 CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
12080 CCCc1c(SC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
12081 CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
12082 CN(C)C[C@@H](O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(C)ccc2Cl)cc1 |r|
12083 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1
12084 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1
12085 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1
12086 COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(C)=O
12087 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1
12088 CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1
12089 CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
12090 Cc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1cccc2cccnc12
12091 CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
12092 CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
12093 CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
12094 O=C(Cc1ccccc1)Nc1[nH]nc2CN(Cc12)C(=O)Nc1ccccc1
12095 NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
12096 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1
12097 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
12098 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
12099 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1
12100 CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r|
12101 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CC[C@H](O)C1=O |r|
12102 C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CC[C@@H](O)C1=O |r|
12103 CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
12104 CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1
12105 CC(C)(C)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1
12106 CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C(C)(C)C)c2C1
12107 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1cccs1
12108 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1ccco1
12109 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)Cc1ccccc1
12110 CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1
12111 c1c([nH]c2ccccc12)-c1n[nH]c2cc(ccc12)-c1nnn[nH]1
12112 CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)-c2nnn[nH]2)CC1
12113 CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(ccc23)C#N)CC1
12114 CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3cc(Cl)ccc23)CC1
12115 CC(=O)N1CCN(Cc2ccc3[nH]c(cc3c2)-c2n[nH]c3ccccc23)CC1
12116 N#Cc1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
12117 COC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
12118 NC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
12119 CNC(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
12120 CN(C)C(=O)c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
12121 C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cn[nH]c1
12122 Cn1cc(cn1)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCOCC3)ccc2[nH]1
12123 C(N1CCOCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cc[nH]n1
12124 C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1cnsc1
12125 C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1nccs1
12126 C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1ccnn1
12127 Cc1cnnn1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
12128 C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1cccn1
12129 C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-n1nccn1
12130 C(N1CCCCC1)c1ccc2[nH]c(cc2c1)-c1n[nH]c2cc(ccc12)-c1ccccc1
12131 OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
12132 OCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
12133 NCc1[nH]nnc1-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1
12134 COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1cc2cc(CN3CCCCC3)ccc2[nH]1
12135 [H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
12136 NNC(=O)c1ccc(cc1)S(N)(=O)=O
12137 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1
12138 CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
12139 CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
12140 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(cc1)[N+]([O-])=O
12141 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(Br)cc1
12142 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(cc1)-c1ccccc1
12143 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(Oc2ccccc2)cc1
12144 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(OCc2ccccc2)cc1
12145 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |TLB:30:29:32:24.26.25,30:25:32:29.31.28,THB:28:29:24:26.32.27,28:27:24:29.31.30|
12146 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)NC1c2ccccc2-c2ccccc12
12147 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)NS(=O)(=O)c1ccccc1
12148 Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccc(cc1)S(N)(=O)=O
12149 Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1ccc(cc1)S(N)(=O)=O
12150 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)NS(=O)(=O)c1ccc(F)cc1
12151 NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
12152 COC(=O)c1ccccc1S(N)(=O)=O
12153 NNC(=O)c1ccccc1S(N)(=O)=O
12154 NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccccc1
12155 Cc1ccccc1S(=O)(=O)NC(=O)NNC(=O)c1ccccc1S(N)(=O)=O
12156 Cc1ccc(cc1)S(=O)(=O)NC(=O)NNC(=O)c1ccccc1S(N)(=O)=O
12157 NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(F)cc1
12158 NS(=O)(=O)c1ccccc1C(=O)NNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
12159 OC(=O)Cc1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O |r|
12160 NNc1ccc(cc1F)S(N)(=O)=O
12161 NNc1ccc(cc1Cl)S(N)(=O)=O
12162 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC(O)=O)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
12163 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
12164 CC(=O)NNc1ccccc1S(N)(=O)=O
12165 O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCCC1)N1Cc2ccccc2C1 |r|
12166 Fc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12167 Clc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12168 FC(F)(F)c1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12169 Cc1ccc2CN(Cc2c1)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12170 Clc1cc2CN(Cc2cc1Cl)C(=O)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12171 O=C(Nc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12172 O=C(NCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12173 O=C(NCCc1ccccc1)[C@@H]1CN[C@@H](C1)C(=O)N1CCCC1 |r|
12174 O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)N1Cc2ccccc2C1 |r|
12175 F[C@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|
12176 F[C@@H]1CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|
12177 FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)C(=O)N1Cc2ccccc2C1 |r|
12178 O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1 |r|
12179 CC1(C)N[C@@H](C[C@@H]1C(=O)N1Cc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
12180 Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NN\C=C2/C=CC=C(O)C2=O)n1 |c:22,t:24|
12182 N[C@@H](CC(=O)N1CCc2ccccc2C1)C(=O)N1CCC[C@H]1C#N |r|
12183 N[C@@H](CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r|
12184 N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2C1 |r|
12185 N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2C1C#N |r|
12186 N[C@H](C(=O)N1CCc2ccccc2C1)c1ccccc1 |r|
12187 Fc1ccc(cc1F)N1CCc2ccccc2C1
12188 O=C(C1CCCN1)N1CCc2ccccc2C1
12189 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc2C1 |r|
12190 N[C@@H](C1CCCCC1)C(=O)N1CCCCC1 |r|
12191 N[C@@H](C1CCCCC1)C(=O)N1CCCC1 |r|
12192 N[C@@H](C1CCCCC1)C(=O)N1Cc2ccccc2C1 |r|
12193 NC(CC(=O)N1CCc2ccccc2C1)C(=O)N1Cc2ccccc2C1
12194 COc1cc2CCN(Cc2cc1OC)C(=O)CC(N)C(=O)N1Cc2ccccc2C1
12195 NC(CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1
12197 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r|
12198 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(N)cc1 |r|
12199 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC=O)cc1 |r|
12200 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 |r|
12201 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1 |r|
12202 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(O)=O |r|
12203 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(C)=O |r|
12204 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C#N |r|
12205 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(N)=O |r|
12206 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(cc1)C(=N)NO |r|
12207 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=C)cc1 |r|
12208 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(C=O)cc1 |r|
12209 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(CO)cc1 |r|
12210 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1ccc(CN=O)cc1 |r|
12211 CO\N=C\c1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O |r|
12212 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CO)c1 |r|
12213 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCN(Cc2csc(C)n2)C1=O)S(=O)(=O)c1cccc(CN=O)c1 |r|
12214 CCC(C)[C@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)CC)C(=O)NC)C(=O)NC |r|
12215 FC(F)(F)S(=O)(=O)Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
12216 CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(C)C |r|
12217 O[C@H](C[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
12218 O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)NCc1ccccc1 |r|
12219 O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)NCc1c(F)cccc1Cl |r|
12220 CC(Nc1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O)C(O)=O
12221 O=C1CCN(N1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
12222 CC(C)[C@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccn1)C(=O)NCc1ccccn1 |r|
12223 COc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCN(C)CC4)c23)c1
12224 COc1ccc(Cl)c(Nc2ncnc3cccc(OC4CCOCC4)c23)c1
12225 CN1CCC(CC1)Oc1cccc2ncnc(Nc3c4OCOc4ccc3Cl)c12
12226 COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OCCCN4CCOCC4)c23)c1
12227 COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC4CCN(C)CC4)c23)c1
12228 COc1cc(OC2CCN(C)CC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
12229 COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOCC4)c23)c1
12230 COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCCCC4)c23)c1
12231 COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOC4)c23)c1
12232 COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC(C)C)c23)c1
12233 C(COc1cc(OC2CCOCC2)c2c(Nc3cccc4OCOc34)ncnc2c1)CN1CCCC1
12234 COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4OCOc34)ncnc2c1
12235 COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4OCCOc34)ncnc2c1
12236 C(CN1CCCC1)Oc1cc(OC2CCOCC2)c2c(Nc3cccc4OCOc34)ncnc2c1
12237 Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCCN3CCCC3)cc(OC3CCOCC3)c12
12238 Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCN3CCCC3)cc(OC3CCOCC3)c12
12239 C(CN1CCCC1)Oc1cc(OC2CCOCC2)c2c(Nc3cccc4OCCOc34)ncnc2c1
12240 CN1CCC(COc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
12241 Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCOc3ccncc3)cc(OC3CCOCC3)c12
12242 Clc1ccc2OCOc2c1Nc1ncnc2cc(OCCN3CCCC3)cc(N3CCOCC3)c12
12243 COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCN(C)CC4)cc(OC4CCOCC4)c23)c1
12244 COc1ccc(Cl)c(Nc2ncnc3cc(OC)c(OC)cc23)c1
12245 Clc1ccc2OCOc2c1Nc1ncnc2cccc(OC3CCNCC3)c12
12246 COc1cc(OC2CCNCC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
12247 CN1CCN(CCCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
12248 CN1CCC(COc2cccc3ncnc(Nc4c5OCOc5ccc4Cl)c23)CC1
12249 CC(C)Oc1cc(OC2CCN(C)CC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
12250 CN1CCC(CC1)Oc1cc(OCCF)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12
12251 CC(C)COc1cc(OC2CCN(C)CC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
12252 CC(C)Oc1cc(OCCCN2CCCC2)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12
12253 CC(C)Oc1cc(OCCN2CCOCC2)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12
12254 CC(C)Oc1cc(OCCN2CCN(CC2)C(C)=O)cc2ncnc(Nc3c4OCOc4ccc3F)c12
12255 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
12256 [H][C@]12CC[C@]([H])(C[C@@](C)(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:8:7:32:2.3,10:7:32:2.3|
12257 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NOC)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
12258 COc1cc(OCCCN2CCCC2)cc2ncnc(Nc3c4OCOc4ccc3Cl)c12
12259 COc1cc2c(Nc3c4OCOc4ccc3Cl)ncnc2cc1OCCCN1CCCC1
12260 COc1ccc(Cl)c(Nc2ncnc3ccc(OC)c(OC4CCN(C)CC4)c23)c1
12261 COc1ccc(Cl)c(Nc2ncnc3cc(OC)cc(OC)c23)c1
12262 COc1ccc(Cl)c(Nc2ncnc3ccc(OCCCN4CCN(C)CC4)c(OC4CCOCC4)c23)c1
12263 Clc1ccc2OCCOc2c1Nc1ncnc2cc(OCCN3CCCC3)cc(OC3CCOCC3)c12
12264 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5OCCOc45)ncnc3c2)CC1
12265 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
12266 [H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(OC)nc3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:32:2.3|
12267 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
12268 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCc1cccs1 |r|
12269 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C)c1ccccc1 |r|
12270 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)NCC1CC1 |r|
12271 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(N)=O |r|
12272 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@H](C)C1CCCCC1 |r|
12273 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)N[C@@H](C)C1CCCCC1 |r|
12274 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC(=O)OC(C)(C)c1ccccc1 |r|
12275 CCCCNC(=O)C(=O)C(CCC)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C |r|
12276 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r|
12277 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NC |r|
12278 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
12279 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)N(C)C |r|
12280 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(O)=O |r|
12281 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC1(CC1)C(=O)C(N)=O)C2(C)C |r|
12282 CCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
12283 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC=C)C(=O)C(N)=O)C2(C)C |r|
12284 CC(=C)CC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
12285 CC(C)CC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
12286 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12287 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
12288 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCCC1)C(=O)C(N)=O)C2(C)C |r|
12289 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCCCC1)C(=O)C(N)=O)C2(C)C |r|
12290 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1COC1)C(=O)C(N)=O)C2(C)C |r|
12291 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCO1)C(=O)C(N)=O)C2(C)C |r|
12292 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC(F)(F)F)C(=O)C(N)=O)C2(C)C |r|
12293 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12294 CC(C)(C)OC(=O)N[C@@H](C1CCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12295 CC(C)(C)OC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12296 CC(C)(C)OC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
12297 CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12298 CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12299 CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C1(C)CC1 |r|
12300 CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C1(C)CC1 |r|
12301 CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)O |r|
12302 CC(C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12303 CC(C)(C)[C@H](NC(=O)OC1CC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12304 CC(C)COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12305 CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12306 CC(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12307 CC(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12308 C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r|
12309 CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12310 CC(C)(C)[C@H](NC(=O)NC1(C)CC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12311 CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
12312 CN(C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r|
12313 CN(C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C)C(C)(C)C |r|
12314 CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
12315 CC(C)(C)NC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r|
12316 CO\N=C\c1c(N)ncnc1Oc1ccc2ncccc2c1
12317 CO\N=C\c1c(N)ncnc1Oc1ccc2cccnc2c1
12318 CO\N=C\c1c(N)ncnc1Oc1ccc2[nH]ccc2c1
12319 CO\N=C\c1c(N)ncnc1Oc1ccc2n(C)ccc2c1
12320 CO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1
12321 CO\N=C\c1c(N)ncnc1Oc1ccc2[nH]cc(C)c2c1
12322 CO\N=C\c1c(N)ncnc1Oc1ccc2[nH]ccc2c1F
12323 CO\N=C\c1c(N)ncnc1Oc1cc2cc[nH]c2cc1F
12324 CCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12325 CCCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12326 CCCCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12327 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCC=C)ccc2[nH]1
12328 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCC#C)ccc2[nH]1
12329 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCC3CCCCC3)ccc2[nH]1
12330 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCc3ccccc3)ccc2[nH]1
12331 CNCCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12332 CN(C)CCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12333 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCCN3CCCC3)ccc2[nH]1
12334 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCCN3CCOCC3)ccc2[nH]1
12335 CN(C)CCCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12336 COCCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12337 COCCCO\N=C\c1c(N)ncnc1Oc1ccc2[nH]c(C)cc2c1F
12338 Cc1cc2c(F)c(Oc3ncnc(N)c3CN=O)ccc2[nH]1
12339 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCCO)ccc2[nH]1
12340 Cc1cc2c(F)c(Oc3ncnc(N)c3\C=N\OCCCO)ccc2[nH]1
12341 NCc1ccc(s1)-c1cccnc1
12342 O=c1ccc2ccccc2o1
12343 CNCc1ccc(s1)-c1cccnc1
12344 CN(C)Cc1ccc(s1)-c1cccnc1
12345 NCc1ccc(o1)-c1cccnc1
12346 CNCc1ccc(o1)-c1cccnc1
12347 CN(C)Cc1ccc(o1)-c1cccnc1
12348 NCC#Cc1cccnc1
12349 CNCC#Cc1cccnc1
12350 CN(C)CC#Cc1cccnc1
12351 Cc1ccsc1-c1cccnc1
12352 Cn1cnc(c1)-c1cccnc1
12353 Cc1cncn1-c1cccnc1
12354 Cc1ccsc1-c1ccc(F)nc1
12355 c1cc(cs1)-c1cccnc1
12356 Cc1nccn1-c1cccnc1
12357 c1nc(c[nH]1)-c1cccnc1
12358 Cc1cscc1-c1cccnc1
12359 CC(=O)SCc1ccc(o1)-c1cccnc1
12360 SCc1ccc(o1)-c1cccnc1
12361 CSCc1ccc(o1)-c1cccnc1
12362 C1CSC(S1)c1ccc(o1)-c1cccnc1
12363 NCc1ccc(o1)-c1ccccc1
12364 NCc1ccc(s1)-c1ccccc1
12365 Cc1cscc1-c1ccccc1
12366 c1cc(cs1)-c1ccccc1
12367 Cc1csc(n1)-c1cccnc1
12368 c1cc(n[nH]1)-c1cccnc1
12369 NCCCc1cccnc1
12370 NCc1cc(n[nH]1)-c1cccnc1
12371 NCc1cc(no1)-c1cccnc1
12372 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12373 [H][C@]12CC[C@]([H])(C[C@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3ccc(=O)[nH]c3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
12374 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(F)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12375 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Cl)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12376 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(Br)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12377 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12378 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(C)ccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12379 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)C#N
12380 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)S(C)(=O)=O
12381 CC(C)N1CCC(CC1)NC(=O)c1cc2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)[N+]([O-])=O
12382 CC(C)N1CCC(CC1)NC(=O)c1cc2c(Cl)cccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12383 CC(C)N1CCC(CC1)NC(=O)c1cc2ccc(Cl)cc2n1Cc1cc(on1)-c1ccc(Cl)s1
12384 CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(Cl)c2n1Cc1cc(on1)-c1ccc(Cl)s1
12385 CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)cccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12386 CC(C)N1CCC(CC1)NC(=O)c1cc2ccc(C)cc2n1Cc1cc(on1)-c1ccc(Cl)s1
12387 CC(C)N1CCC(CC1)NC(=O)c1cc2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
12388 CC(C)N1CCC(CC1)NC(=O)c1cc2c(C)ccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
12389 CC(C)N1CCC(CC1)NC(=O)c1cc2cccc([N+]([O-])=O)c2n1Cc1cc(on1)-c1ccc(Cl)s1
12390 CC(C)N1CCC(CC1)NC(=O)c1c(F)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12391 CC(C)N1CCC(CC1)NC(=O)c1c(Cl)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12392 CC(C)N1CCC(CC1)NC(=O)c1c(Br)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12393 CC(C)N1CCC(CC1)NC(=O)c1c(C)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12394 CC(C)N1CCC(CC1)NC(=O)c1c(-c2ccccc2)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12395 CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
12396 CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1Cc1cc(on1)-c1ccc(Cl)s1
12397 CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cc(ccc2n1Cc1cc(on1)-c1ccc(Cl)s1)S(C)(=O)=O
12398 COc1cccc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C(C)C)c1
12399 COc1cccc(Cn2c(C(=O)NC3CCN(CC3)C(C)C)c(C#N)c3cccc(C)c23)c1
12400 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1
12401 CC(C)N1CCC(CC1)NC(=O)c1c(C#N)c2cccc(C)c2n1CC(=O)Nc1ccc(Cl)cc1
12402 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cc(Cl)cc(Cl)c1
12403 COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
12404 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NCC(O)CO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:29:2.3|
12405 COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1
12406 COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN1CCOCC1
12407 COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
12408 COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
12409 COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
12410 CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
12411 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
12412 COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1
12413 CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
12414 NS(=O)(=O)c1ccccc1
12415 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN(CC([O-])=O)CC([O-])=O)cc2)cc1
12416 NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN(CC([O-])=O)CC([O-])=O)c2)cc1
12417 NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
12418 NS(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC([O-])=O)CC([O-])=O
12419 F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12420 F\[#6](-[#6]-[#7]-[#6]-c1ccccc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12421 [#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]\[#6](F)=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
12422 F\[#6](-[#6]-[#7]-[#6]-c1ccc(F)cc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12423 F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccn1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12424 F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12425 F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12426 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]\[#6](F)=[#6]-1\[#6]-[#6]-[#6]-[#6]-1
12427 F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12428 F\[#6](-[#6]-[#7]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
12429 F\[#6](-[#6]-[#7]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12430 F\[#6](-[#6]-[#7]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12431 [#6]-[#8]-c1ccc(-[#6]-[#7]-[#6]\[#6](F)=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
12432 F\[#6](-[#6]-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12433 F\[#6](-[#6]-[#7]-[#6]-c1ccc(F)cc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12434 F\[#6](-[#6]-[#7]-[#6]-c1cccc(c1)C(F)(F)F)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12435 F\[#6](-[#6]-[#7]-[#6]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12436 F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12437 F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-c2ccccc2)-[#6]-[#6]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12438 F\[#6](-[#6]-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]-[#6]-c1ccccc1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
12439 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]\[#6](F)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
12440 [#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12441 [#6](-[#7]-[#6]-c1ccccc1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12442 [#6](-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
12443 O=C(CNC1CCCCC1)N1CCCC1
12444 O=C(CNCc1ccccc1)N1CCCC1
12445 O=C(CNCc1ccc2OCOc2c1)N1CCCC1
12446 S=C(CNC1CCCCC1)N1CCCC1
12447 S=C(CNCc1ccccc1)N1CCCC1
12448 S=C(CNCc1ccc2OCOc2c1)N1CCCC1
12449 [#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
12450 [#6](-[#7]-[#6]-c1ccccc1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
12451 [#6](-[#7]-[#6]-c1ccc2-[#8]-[#6]-[#8]-c2c1)\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
12452 O=C(CNC1CCCCC1)N1CCCCC1
12453 O=C(CNCc1ccccc1)N1CCCCC1
12454 O=C(CNCc1ccc2OCOc2c1)N1CCCCC1
12455 O=C(CNC1CCN(Cc2ccccc2)CC1)N1CCCCC1
12456 S=C(CNC1CCCCC1)N1CCCCC1
12457 S=C(CNCc1ccccc1)N1CCCCC1
12458 S=C(CNCc1ccc2OCOc2c1)N1CCCCC1
12459 F\C(CNCCc1ccccc1)=C1\CCCC1C#N
12460 F\C(CNC12CC3CC(CC(C3)C1)C2)=C1\CCCC1C#N |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
12461 F\C(CNCc1ccc(F)cc1)=C1\CCCC1C#N
12462 F\C(CNCCc1ccccc1)=C1/CCCC1C#N
12463 F\C(CNC12CC3CC(CC(C3)C1)C2)=C1/CCCC1C#N |TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
12464 F\C(CNCc1ccc(F)cc1)=C1/CCCC1C#N
12465 O=C(CNCCc1ccccc1)N1CCC[C@H]1C#N |r|
12466 O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC[C@H]1C#N |r,TLB:11:10:13:5.7.6,11:6:13:10.12.9,THB:9:10:5:7.13.8,9:8:5:10.12.11|
12467 Fc1ccc(CNCC(=O)N2CCC[C@H]2C#N)cc1 |r|
12468 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(O)=O |r|
12469 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NC |r|
12470 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC=C |r|
12471 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)OCc1ccccc1 |r|
12472 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(O)=O |r|
12473 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
12474 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r|
12475 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
12476 CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12477 CCC[C@@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12478 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C#N)c1ccccc1 |r|
12479 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](CO)c1ccccc1 |r|
12480 CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12481 CCC[C@H](NC(=O)[C@@H]1C[C@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCO2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12482 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12483 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12484 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCS2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12485 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCS2(=O)=O)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12486 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCCN2S(=O)(=O)c2ccccc2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12487 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C([NH3+])=O |r|
12488 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC=C |r|
12489 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(O)=O |r|
12490 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)OCc1ccccc1 |r|
12491 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
12492 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 |r|
12493 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12494 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C(C)(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12495 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12496 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C(C)CC)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12497 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)c1ccccc1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12498 CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1Cc2ccccc2C1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
12499 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(C)C |r|
12500 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7+]=[#6](-[#7])-[#7-])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r,w:30.30|
12501 CCN(C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12502 CCN(CC)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12503 CC(C)NC(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12504 CC(C)N(C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12505 CCN(C(C)C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12506 CC(C)N(CCC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12507 CC(C)CN(CCC#N)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12508 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)C1CC1 |r|
12509 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)CC1CC1 |r|
12510 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)C1CCC1 |r|
12511 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)C1CCCC1 |r|
12512 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCC#N)C1CCCCC1 |r|
12513 CCN(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12514 CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12515 CC(C)N(Cc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12516 CC(C)N(Cc1cccnc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12517 CC(C)N(Cc1ccncc1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12518 CC(C)N(CCc1ccccn1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12519 CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12520 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCO)CC1CC1 |r|
12521 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)NCCN |r|
12522 CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12523 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCN)CC1CC1 |r|
12524 CC(C)N(CCC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12525 CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12526 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCNC(N)=O)CC1CC1 |r|
12527 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)NCCNS(C)(=O)=O |r|
12528 CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12529 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N(CCNS(C)(=O)=O)CC1CC1 |r|
12530 CC(C)N(CCS(N)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12531 CC(C)N(CCN(C)C)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12532 CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12533 CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12534 CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r,c:7,9,11|
12535 CC(C)N(CCCN)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12536 CC(C)N(CCCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12537 CC(C)N(CCCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12538 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12539 CC(C)N(CCO)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12540 CC(C)N(CCN)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12541 CC(C)N(CCNC(N)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12542 CC(C)N(CCNS(C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12543 CC(C)N(CCN1CCCCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12544 CC(C)N(CCN1CCOCC1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r|
12545 CC(C)N(CCN1C=CC=CC=C1)C(=O)[C@H](C)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O |r,c:7,9,11|
12546 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1 |r|
12547 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1 |r|
12548 C[C@H](N1CC[C@H](NS(=O)(=O)c2nc3cc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1 |r|
12549 C[C@H](N1CC[C@H](NS(=O)(=O)c2nc3ccc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1 |r|
12550 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)C1=O)C(=O)N1CCOCC1 |r|
12551 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3[nH]2)C1=O)C(=O)N1CCOCC1 |r|
12552 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3o2)C1=O)C(=O)N1CCOCC1 |r|
12553 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ccc(Cl)cc3o2)C1=O)C(=O)N1CCOCC1 |r|
12554 CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
12555 CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
12556 Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1=O |r|
12557 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
12558 C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
12559 CC(C)(N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1
12560 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCC1 |r|
12561 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)|
12562 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H]2CNC[C@H](C2)C1 |r|
12563 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCNCC1 |r|
12564 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCN(C)CC1 |r|
12565 [H][C@@]12CC[C@@](C)(C[C@]([H])(C1)N1C(=O)C(N[C@@H](CO)C(O)=O)Nc3ccccc13)N2C1CCCCCCC1 |r,TLB:10:7:28:3.2|
12566 C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12567 C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12568 C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12569 CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
12570 C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12571 C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12572 C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
12573 C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
12574 C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
12575 C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
12576 OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
12577 CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
12578 OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
12579 OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
12580 OC(C[n+]1cccc(I)c1)(P(O)(O)=O)P(O)([O-])=O
12581 NCCC(O)(P(O)(O)=O)P(O)(O)=O
12582 Clc1ccc(cc1)-n1cnnn1
12583 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-c1ccc2c(-[#6])cc(=O)oc2c1 |r|
12584 NCc1cccc(Cl)c1
12585 N[C@@H](Cc1ccccc1)[C@H](O)CNS(=O)(=O)c1ccc2ccccc2c1 |r|
12586 COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@@H](N)Cc1ccccc1 |r|
12587 COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cccc(Cl)c1 |r|
12588 COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1 |r|
12589 COc1ccc(cc1)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1 |r|
12590 Nc1ccc2cc3ccc(N)cc3nc2c1
12592 NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
12593 COC(=O)N[C@H](C1CCCCC1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
12594 NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
12595 OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12
12596 Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1 |w:5.4|
12597 COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1 |r|
12598 C[C@H](NC(=O)[C@H](N)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
12599 COc1cccc(c1)C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
12600 CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3cccc(F)c3)c(N)n2)cc1
12601 CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3cccc(c3)C(F)(F)F)c(N)n2)cc1
12602 CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)c(N)n2)cc1
12603 CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C)c(N)n2)cc1
12604 COc1ccccc1C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
12605 COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N
12606 COc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N
12607 CCNC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
12608 CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
12609 COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)C(C)=O)nc1N
12610 CCCC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
12611 COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12612 CCS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
12613 CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2F)c(N)n1
12614 CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2C)c(N)n1
12615 CCOc1ccccc1C(=O)c1cnc(NC2CCN(CC2)C(C)=O)nc1N
12616 COc1cc(F)ccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12617 COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12618 COc1ccc(Cl)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12619 COc1cccc(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12620 CS(=O)(=O)N1CCC(CC1)Nc1ncc(C(=O)c2c(F)cccc2F)c(N)n1
12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12622 COc1cc(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12623 COc1cc(F)c(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12624 COc1c(F)c(F)c(F)cc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
12626 CC(C)C[C@H](N)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
12627 CC(C)C[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C#N |r|
12629 C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1 |r|
12630 N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C=C |r|
12632 N[C@@H](C1CCCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
12633 N[C@H](C1CCCCC1)C(=O)N1[C@@H](CC[C@H]1C#N)C#C |r|
12634 CCC(C)[C@@H](N)C(=O)N1[C@@H](CC[C@H]1c1ccccc1)C#N |r|
12635 O=C(CNC1CCCC1)N1[C@H](CC[C@H]1C#N)C#C |r|
12636 O=C(CNC1CCCCC1)N1[C@H](CC[C@H]1C#N)C#C |r|
12637 O[C@H]1CC[C@@H](CC1)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r,wU:15.17,12.19,1.0,wD:4.7,(-12.23,6.57,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-6.95,3.39,;-5.62,4.16,;-4.29,3.39,;-4.29,1.85,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,;-3.03,6.87,;-3.8,8.2,)|
12638 O=C(CN[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1[C@H](CC[C@H]1C#N)C#C |r,wU:23.26,20.28,7.10,wD:4.3,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-8.25,5.7,;-9.56,6.51,;-10.92,5.77,;-10.96,4.23,;-9.64,3.43,;-12.23,6.57,;-13.72,6.17,;-14.35,4.77,;-15.88,4.61,;-16.78,5.86,;-16.15,7.26,;-14.62,7.42,;-18.27,5.46,;-19.76,5.06,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,;-3.03,6.87,;-3.8,8.2,)|
12639 CC(C)(C)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
12640 C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1 |r|
12641 CC#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC1CCCC1 |r|
12642 OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r,TLB:6:1:9:5.4.7,THB:7:5:2:9.10.8,7:8:2:5.4.6,6:5:9:10.2.1,0:1:9:5.4.7|
12643 O=C(CNC1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r,wU:23.26,wD:7.10,(-4.29,1.85,;-4.29,3.39,;-5.62,4.16,;-6.95,3.39,;-8.29,4.16,;-9.64,3.43,;-10.96,4.23,;-10.92,5.77,;-9.56,6.51,;-8.25,5.7,;-12.23,6.57,;-13.72,6.17,;-14.36,4.77,;-15.89,4.63,;-16.79,5.88,;-16.14,7.28,;-14.61,7.43,;-18.27,5.48,;-19.76,5.09,;-2.95,4.16,;-2.26,5.54,;-.74,5.3,;-.49,3.78,;-1.86,3.08,;-2.26,1.59,;-2.66,.1,)|
12644 CC(C)(C)NCC(=O)N1CCC[C@H]1C#N |r|
12645 O=C(CNC1CCCC1)N1CCC[C@H]1C#N |r|
12646 CC1(CCN(CC1)c1ccc(cn1)C#N)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
12647 CC1(CCN(CC1)c1ccc(cn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
12648 CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C |r|
12649 N[C@H]1CC=CC[C@@H]1c1ccccc1Cl |r,c:3|
12650 [NH3+][C@H]1CC(=CC[C@@H]1c1ccccc1Cl)c1ccccc1 |r,c:3|
12651 [NH3+][C@H]1CC(CN2CCC(CC2)C(O)=O)=CC[C@@H]1c1ccc(Cl)cc1Cl |r,c:14|
12652 [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16|
12653 NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
12654 NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10|
12655 NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11|
12656 [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3|
12657 CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1
12658 [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
12659 CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12660 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(N)(=O)=O)C(F)(F)F
12661 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccncc1S(N)(=O)=O)C(F)(F)F
12662 Cn1ccnc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12663 Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12664 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)C(=O)N1CCCC1)C(F)(F)F
12665 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)N1CCOCC1)C(F)(F)F
12666 Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(c1)C#N
12667 Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
12668 Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(c1)-n1ccnc1C
12669 COc1cc(ccc1NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F)-n1ccnc1C
12670 Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(c1)C(N)=O
12671 CCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12672 CC(C)c1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12673 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CO)C(F)(F)F
12674 NCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12675 CNCc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12676 CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12677 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CN1CCCC1)C(F)(F)F
12678 N[C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
12679 Cc1ccc(cc1)S(=O)(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O
12680 N\C([NH-])=[NH+]/CCCC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
12681 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
12682 CN(C)Cc1ccccc1-c1ccc(N2CCc3c(nn(c3C2=O)-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12683 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCCc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
12684 CN(C)Cc1ccccc1-c1ccc(N2CCCc3c(nn(c3C2=O)-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12685 CN(C)Cc1ccccc1-c1ccc(cc1)N1CC=Cc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F |c:20|
12686 CN(C)Cc1ccccc1-c1ccc(N2CC=Cc3c(nn(c3C2=O)-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1 |c:17|
12687 CN(C)Cc1ccccc1-c1ccc(cc1)N1CNc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
12688 CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12689 CCN(CC)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
12690 CCN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
12691 CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc2onc(N)c2c1)C(F)(F)F
12692 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCCC1)C(F)(F)F
12693 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12694 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)C(F)(F)F |r|
12695 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCC(O)CC1)C(F)(F)F
12696 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCOCC1)C(F)(F)F
12697 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCNCC1)C(F)(F)F
12698 CN1CCN(Cc2ccccc2-c2ccc(cc2)N2CCc3c(nn(c3C2=O)-c2ccc3onc(N)c3c2)C(F)(F)F)CC1
12699 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1F)-c1ccccc1CN1CCCC1)C(F)(F)F
12700 Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1F)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12701 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(C)nn(c2C1=O)-c1ccc2onc(N)c2c1
12702 Cc1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CCCC1)-c1ccc2onc(N)c2c1
12703 Cc1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc2onc(N)c2c1 |r|
12704 Cc1nn(c2c1CCN(C2=O)c1ccc(cc1F)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc2onc(N)c2c1 |r|
12705 COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(F)(F)F
12706 COc1ccc(cc1)-n1nc(C#N)c(N)c1C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O
12707 COc1ccc(cc1)-n1nc(C#N)c2[nH]c(=O)n(-c3ccc(cc3F)-c3ccccc3S(C)(=O)=O)c(=O)c12 |(-7.99,-3.36,;-8.79,-2.04,;-8.05,-.69,;-8.85,.62,;-8.11,1.97,;-6.58,2.01,;-5.77,.7,;-6.51,-.66,;-5.67,3.26,;-6.15,4.72,;-4.9,5.63,;-4.9,7.17,;-4.9,8.71,;-3.65,4.72,;-2.15,5.04,;-1.12,3.9,;.39,4.22,;-1.59,2.43,;-.56,1.29,;-.89,-.22,;.24,-1.25,;1.71,-.79,;2.04,.71,;.91,1.75,;1.24,3.26,;2.85,-1.83,;2.48,-3.32,;3.6,-4.39,;5.07,-3.96,;5.44,-2.46,;4.33,-1.4,;4.69,.1,;5.09,1.59,;3.2,.5,;6.18,-.3,;-3.1,2.11,;-3.58,.65,;-4.13,3.26,)|
12708 COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1)-c1ccccc1S(N)(=O)=O)c2=O
12709 COC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1F)-c1ccccc1S(N)(=O)=O)c2=O
12710 COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12
12711 COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3S(N)(=O)=O)c(=O)c12
12712 COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12
12713 COc1ccc(cc1)-n1nc(C(O)=O)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12
12714 COc1ccc(cc1)-n1nc(CN)c2ncn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12
12715 COc1ccc(cc1)-n1nc(c2c(C)nn(-c3ccc(cc3)-c3ccccc3S(N)(=O)=O)c(=O)c12)C(F)(F)F
12716 CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O
12717 CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1F)-c1ccccc1CN1CCCC1)c2=O
12718 CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CO)c2=O
12719 COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12
12720 COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3F)-c3ccccc3CN3CCCC3)c(=O)c12
12721 COc1ccc(cc1)-n1nc(C(N)=O)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12 |r|
12722 COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12
12723 COc1ccc(cc1)-n1nc(C#N)c2ncn(-c3ccc(cc3)-c3ccccc3CN(C)C)c(=O)c12
12724 COc1ccc(cc1)-n1nc(C#N)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN(C)C)c(=O)c12
12725 COc1ccc(cc1)-n1nc(Cn2ccnc2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12
12726 COc1ccc(cc1)-n1nc(Cn2cnnn2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12
12727 COc1ccc(cc1)-n1nc(Cn2ncnn2)c2nc(C)n(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12
12728 COc1ccc(cc1)-n1nc(c2c(C)nn(-c3ccc(cc3)-c3ccccc3CN3CCCC3)c(=O)c12)C(F)(F)F
12729 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NO)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:25:2.3|
12730 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccccc1S(N)(=O)=O)C(F)(F)F
12731 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccccc1C(N)=O)C(F)(F)F
12732 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C#N)C(F)(F)F
12733 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)C(N)=O)C(F)(F)F
12734 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(c1)[N+]([O-])=O)C(F)(F)F
12735 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(N)c1)C(F)(F)F
12736 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(NC(C)=O)c1)C(F)(F)F
12737 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(NC(N)=O)c1)C(F)(F)F
12738 CN(C)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1cccc(NS(C)(=O)=O)c1)C(F)(F)F
12739 CCc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C)C(F)(F)F
12740 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C)C(F)(F)F
12741 NS(=O)(=O)c1ccccc1-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12742 NC(=O)c1cccc(c1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12743 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12744 CS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccccc1S(N)(=O)=O)C(F)(F)F
12745 CS(=O)(=O)c1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccccc1C(N)=O)C(F)(F)F
12746 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
12747 COc1ccc(c(c1)C(N)=O)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
12748 COc1ccc(c(c1)S(N)(=O)=O)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
12749 COc1ccc(c(N)c1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
12750 Cc1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N
12751 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=N
12752 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)C(F)(F)F
12753 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F
12754 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ncccc12)C(F)(F)F
12755 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cnccc12)C(F)(F)F
12756 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccncc12)C(F)(F)F
12757 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cccnc12)C(F)(F)F
12758 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(Cl)ccc12)C(F)(F)F
12759 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccc(Cl)cc12)C(F)(F)F
12760 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)C(F)(F)F)C(F)(F)F
12761 Cc1ccc2n(cnc2c1)-c1ccc(NC(=O)c2cc(nn2-c2cccc(c2)C(N)=N)C(F)(F)F)c(F)c1
12762 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(N)ccc12)C(F)(F)F
12763 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(ccc12)[N+]([O-])=O)C(F)(F)F
12764 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2cc(Cl)c(Cl)cc12)C(F)(F)F
12765 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccc2ccccc12)C(F)(F)F
12766 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1c2ccccc2[nH]c1=O)C(F)(F)F
12767 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1ccnc1)C(F)(F)F
12768 NC(=N)c1cccc(c1)-n1nc(Cn2ccnc2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
12769 Cc1ncn(n1)-c1cc(C(=O)Nc2ccc(cc2)-n2cnc3ccccc23)n(n1)-c1cccc(c1)C(N)=N
12770 NC(=N)c1cccc(c1)-n1nc(Cn2ccnn2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
12771 NC(=N)c1cccc(c1)-n1nc(Cn2cnnn2)cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
12772 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)-c1cccnc1
12773 NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1)-n1cnc2cc(Cl)ccc12)-c1cccnc1
12774 CS(=O)(=O)NC(CC1CCC(O)CC1)C(=O)NCC(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(-14.85,4.9,;-14.08,3.57,;-12.75,4.34,;-15.42,2.8,;-13.31,2.23,;-11.77,2.23,;-11,.9,;-11.77,-.43,;-13.31,-.43,;-14.08,-1.77,;-13.31,-3.1,;-14.08,-4.44,;-11.77,-3.1,;-11,-1.77,;-11,3.57,;-11.77,4.9,;-9.46,3.57,;-8.69,2.23,;-7.15,2.23,;-6.38,3.57,;-6.38,.9,;-4.84,.9,;-4.07,-.43,;-4.84,-1.77,;-4.07,-3.1,;-4.84,-4.44,;-4.07,-5.77,;-4.84,-7.1,;-2.53,-5.77,;-4.07,2.23,;-4.84,3.57,;-2.53,2.23,;-1.76,3.57,;-2.53,4.9,;-1.76,6.23,;-.22,6.23,;.55,4.9,;-.22,3.57,;.55,7.57,;-.22,8.9,;2.09,7.57,)|
12775 NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
12776 NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-c3ccccc3S(N)(=O)=O)c2c1
12777 NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1
12778 NC(=N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r|
12779 NC(=N)c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1 |r|
12780 CC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N
12781 CC(C)(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N
12782 CCC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1c[nH]c2ccc(cc12)C(N)=N
12783 NC(=N)c1ccc2[nH]cc(C(CC3CC3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12784 NC(=N)c1ccc2[nH]cc(C(CCc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1
12785 NC(=N)c1ccc2[nH]cc(C(Cc3ccc4ccccc4c3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1
12786 NC(=N)c1ccc2[nH]cc(C(Cc3cccc(c3)C(O)=O)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1
12787 NC(=N)c1ccc2[nH]cc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12788 NC(=N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12789 NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NC(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12790 NC(=N)c1ccc2[nH]cc(C(Cc3ccc(NS(=O)(=O)c4ccccc4)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12791 NC(=N)c1ccc2ccn(C(Cc3ccccc3)C(=O)Nc3ccc(cc3F)-n3cnc4ccccc34)c2c1
12792 Cn1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2F)-n2cnc3ccccc23)c2cc(ccc12)C(N)=N
12793 NC(=N)c1ccc2[nH]cc(CC(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12794 NC(=N)c1ccc2[nH]cc(C(CC(=O)Nc3ccc(cc3)-n3cnc4ccccc34)Cc3ccccc3)c2c1
12795 NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)-n3cnc4ccccc34)c2c1
12796 NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)C(=O)Nc3nc4ccccc4[nH]3)c2c1
12797 NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3cccc(c3)C(=O)Nc3nc4ccccc4[nH]3)c2c1
12798 NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc(c3)-c3ccccc3)c2c1
12799 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(CNC(=O)C(Cc4ccccc4)c4c[nH]c5ccc(cc45)C(N)=N)cc3)[nH]c2c1
12800 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12802 NC(=N)c1ccc2scc(C(Cc3ccc(N)cc3)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12804 NC(=N)c1ccc2scc(C(Cc3cccc4ccccc34)C(=O)Nc3ccc(cc3)-n3cnc4ccccc34)c2c1
12805 CCC(C(=O)Nc1ccc(cc1)-n1cnc2ccccc12)c1csc2ccc(cc12)C(N)=N
12806 NC(=N)c1ccc2scc(c2c1)C1(CC1)C(=O)Nc1ccc(cc1)-n1cnc2ccccc12
12807 NC(=N)c1ccc2scc(C(CC(=O)Nc3ccc(cc3)-n3cnc4ccccc34)Cc3ccccc3)c2c1
12808 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3cnc(c3)-c3ccccc3)c2c1
12809 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ccc(Cl)nn3)c2c1
12810 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1
12811 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1
12812 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)C#N)c2c1
12813 Cc1ccc(F)cc1NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N
12814 CC1CCC(CC1)NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |(5.74,5.46,;4.2,5.45,;3.42,6.79,;1.88,6.78,;1.12,5.44,;1.89,4.11,;3.43,4.12,;-.42,5.44,;-1.19,4.11,;-.42,2.78,;-2.73,4.11,;-3.5,5.44,;-2.73,6.78,;-3.43,8.15,;-2.59,9.44,;-1.06,9.36,;-.36,7.99,;-1.2,6.7,;-3.21,2.65,;-2.3,1.4,;-3.21,.15,;-4.67,.63,;-6.01,-.14,;-7.34,.63,;-7.34,2.17,;-6.01,2.94,;-4.67,2.17,;-8.68,2.94,;-10.01,2.17,;-8.68,4.48,)|
12815 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)Nc3ccc(cc3)-n3ccc(n3)C(F)(F)F)c2c1
12816 [H][C@]12CC[C@](C)(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
12817 COC(=O)[C@H]1CCCC[C@H]1NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12818 COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12819 COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12820 COC(=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12821 NC(=N)c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1 |r|
12822 NC(=N)c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc4ncsc4c3)c2c1 |r|
12823 CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12824 CCNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12825 NC(=O)CNC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1csc2ccc(cc12)C(N)=N |r|
12826 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCc3ccccc3)c2c1 |r|
12827 NC(=N)c1ccc2scc(C(Cc3ccccc3)C(=O)N[C@H]3CCCC[C@H]3C(O)=O)c2c1 |r|
12828 COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1c[nH]c2ccc(cc12)C(N)=N |r|
12829 CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1coc2ccc(cc12)C(N)=N |r|
12830 CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)C1=CS(=O)(=O)c2ccc(cc12)C(N)=N |r,t:24|
12831 CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C(Cc1ccccc1)c1cccc2ccc(cc12)C(N)=N |r|
12832 NCc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12833 CNCc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12834 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CNCC1CC1)C(F)(F)F
12835 CC(C)NCc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12836 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CNC1CCC1)C(F)(F)F
12837 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CNC1CCCC1)C(F)(F)F
12838 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)NC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
12839 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CC1)C(F)(F)F
12840 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCCC1)C(F)(F)F
12841 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCC[C@H]1CO)C(F)(F)F |r|
12842 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12843 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CC[C@H](O)C1)C(F)(F)F |r|
12844 N[C@@H]1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)C1 |r|
12845 N[C@H]1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)C1 |r|
12846 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCCCC1)C(F)(F)F
12847 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCOCC1)C(F)(F)F
12848 CN1CCN(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)CC1
12849 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1CN1CCNCC1)C(F)(F)F
12850 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1Cn1ccnc1)C(F)(F)F
12851 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-c1ccccc1C[n+]1ccccc1)C(F)(F)F
12852 C[N+]1(Cc2ccccc2-c2ccc(NC(=O)c3cc(nn3-c3ccc4onc(N)c4c3)C(F)(F)F)c(F)c2)CCOCC1
12853 C[N+](C)(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)c(F)c1
12854 CCOC(=O)c1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O
12855 CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
12856 Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CCCC1)c2=O
12857 Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CN1CC[C@H](O)C1)c2=O |r|
12858 Cc1nn(-c2ccc3onc(N)c3c2)c2c1ncn(-c1ccc(cc1)-c1ccccc1CNCC1CC1)c2=O
12859 CC(C)NCc1ccccc1-c1ccc(cc1)-n1cnc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
12860 CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
12861 Cc1nn(-c2ccc3onc(N)c3c2)c2c1nc(C)n(-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)c2=O |r|
12862 CC(C)N(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(C)nn(-c3ccc4onc(N)c4c3)c2c1=O
12863 CN(C)Cc1ccccc1-c1ccc(cc1)-n1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
12864 CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
12865 Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CNCC1CC1)C(F)(F)F
12866 Cc1nc2c(nn(-c3ccc4onc(N)c4c3)c2c(=O)n1-c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12867 [H][C@]1(C[C@@H]2CC[C@H](C1)N2C12CC3CC(CC(C3)C1)C2)n1c2ccccc2nc(C(O)=O)c1=O |r,TLB:16:11:18:15.17.14,16:15:18:11.10.12,12:13:17:11.10.16,THB:12:11:17:18.13.14|
12868 Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
12869 CN(C)Cc1nccn1-c1ccc(c(F)c1)-n1c(=O)[nH]c2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F |(5.96,5.32,;5.96,3.78,;7.29,3.01,;4.63,3.01,;4.63,1.47,;5.87,.57,;5.4,-.9,;3.86,-.9,;3.38,.57,;2.05,1.34,;.71,.57,;-.62,1.34,;-.62,2.88,;.71,3.65,;.71,5.19,;2.05,2.88,;-2.11,3.28,;-2.58,4.74,;-1.55,5.89,;-4.09,5.06,;-5.12,3.92,;-6.66,3.92,;-7.14,2.45,;-5.89,1.55,;-5.89,.01,;-7.23,-.76,;-7.23,-2.3,;-5.89,-3.07,;-5.57,-4.58,;-4.04,-4.74,;-3.41,-3.33,;-1.91,-3.01,;-4.56,-2.3,;-4.56,-.76,;-4.65,2.45,;-3.14,2.13,;-2.74,.65,;-7.57,5.16,;-8.34,6.5,;-6.28,6,;-8.86,4.33,)|
12870 Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CC[C@@H](O)C3)c(=O)c12)C(F)(F)F |r|
12871 Nc1noc2ccc(cc12)-n1nc(c2[nH]c(=O)n(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(=O)c12)C(F)(F)F
12872 CN(C)Cc1ccccc1-c1ccc(cc1)-c1cnc2c(nn(-c3ccc4onc(N)c4c3)c2c1O)C(F)(F)F
12873 Nc1noc2ccc(cc12)-n1nc(c2nc(N)c(-c3ccc(cc3)-c3ccccc3CN3CCC(O)CC3)c(O)c12)C(F)(F)F
12874 CN(C)Cc1ccccc1-c1ccc(cc1)-c1nnc2c(nn(-c3ccc4onc(N)c4c3)c2c1O)C(F)(F)F
12875 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1 |r|
12876 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1 |r|
12877 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r|
12878 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O |r|
12879 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1 |r|
12880 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
12881 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
12882 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(N)cc1 |r|
12883 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r|
12884 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
12885 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r|
12886 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(OC)c1 |r|
12887 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)S(=O)(=O)c1ccc(N)cc1 |r|
12888 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(N)cc1 |r|
12889 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r|
12890 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1ccc(N)cc1 |r|
12891 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)S(=O)(=O)c1ccc2OCOc2c1 |r|
12892 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)S(=O)(=O)c1ccc2OCOc2c1 |r|
12893 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc2OCOc2c1 |r|
12894 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1 |r|
12895 COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1 |r|
12896 COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1 |r|
12897 COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r|
12898 COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r|
12899 COc1ccc(cc1F)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O |r|
12900 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|
12901 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r|
12902 COc1cccc(c1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
12903 COc1cccc(c1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O |r|
12904 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)CC1CC1 |r|
12905 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)CC1CC1 |r|
12906 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)CC1CC1 |r|
12907 COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1cccs1 |r|
12908 COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)Cc1cccs1 |r|
12909 COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)Cc1cccs1 |r|
12910 O[C@H](CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
12911 O[C@H](CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1 |r|
12912 CC(=O)c1ccc(cc1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F |r|
12913 COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C[C@H]1CCCO1 |r|
12914 COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(F)c1)C[C@H]1CCCO1 |r|
12915 O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
12916 NS(=O)(=O)c1ccc(cc1)C(=O)NCC#C
12917 NS(=O)(=O)c1ccc(cc1)C(=O)OCC#C
12918 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12919 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
12920 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12921 NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
12922 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12923 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
12924 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12925 NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
12926 CC(=O)O[C@@H]1CO[C@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12927 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
12928 CC(=O)O[C@@H]1CO[C@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12929 NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
12930 CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12931 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12932 CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12933 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12934 COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12935 COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12936 COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12937 COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12938 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12939 NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
12940 CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
12941 NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
12942 CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
12943 CO[C@H]1O[C@H](Cn2cc(CNC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O
12944 CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
12945 CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O
12946 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12947 [#6]-c1cc(=O)oc2cc(-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6](=O)-[#7]-3)ccc12 |r|
12948 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12949 [#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12950 [#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12951 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12952 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-c1ccco1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12953 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12954 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12955 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12956 [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12957 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12958 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12959 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12960 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12961 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@H](-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1)C([#6])([#6])[#6] |r|
12962 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12963 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12964 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12965 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12966 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12967 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12968 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12969 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12970 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12971 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12972 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12973 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12974 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12975 CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1 |r,wU:7.19,34.36,22.24,wD:3.3,(-2.47,-.39,;-1.14,.38,;.19,-.39,;-1.14,1.92,;-2.47,2.69,;-3.81,1.92,;-3.81,.38,;-5.14,2.69,;-5.14,4.23,;-5.54,5.72,;-4.62,6.96,;-5.52,8.21,;-6.99,7.75,;-8.31,8.53,;-9.65,7.77,;-9.67,6.23,;-8.34,5.45,;-7,6.21,;-6.47,1.92,;-7.81,2.69,;-7.81,4.23,;-9.14,1.92,;-10.48,2.69,;-10.48,4.23,;-11.81,1.92,;-13.14,2.69,;-14.48,1.92,;-14.48,.38,;-15.81,-.39,;-13.14,-.39,;-11.81,.38,;.19,2.69,;.19,4.23,;1.53,1.92,;2.86,2.69,;2.86,4.23,;4.19,5,;4.19,6.54,;2.86,7.31,;2.86,8.85,;4.19,9.62,;1.53,9.62,;4.19,1.92,;4.19,.38,;5.53,2.69,;7.07,2.69,;7.54,4.16,;6.3,5.06,;5.05,4.16,)|
12976 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12977 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
12979 [H][C@@]1(C[C@@H]2CC[C@H](C1)N2C12CC3CC(CC(C3)C1)C2)n1c2ccccc2nc(C(O)=O)c1=O |r,TLB:16:11:18:15.17.14,16:15:18:11.10.12,12:13:17:11.10.16,THB:12:11:17:18.13.14|
12980 OC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(N2CC3CNCC3C2)c1=O
12981 NC(=O)C1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(N2CC3CNCC3C2)c1=O
12982 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](F)c1ccccc1 |r|
12983 CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)[C@H](O)c1ccccc1 |r|
12984 C[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
12985 CO[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
12986 C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
12987 CO[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2C1)c1ccccc1 |r|
12988 Fc1cc(ccc1N1CCSCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
12989 COC(=O)N[C@H](CC1CCCCC1)C(=O)NCC(=O)N[C@@H](CCC[NH+]=C(N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |r,w:24.24|
12990 Fc1cc(ccc1N1CCOCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
12992 Fc1cc(ccc1N1CCCC1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
12993 CN(C)c1ccc(cc1)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
12997 Fc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
12998 FC(F)(F)c1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
12999 Nc1cc(ccc1N1CCOCC1=O)N1C[C@H](CNC(=O)c2ccc(Cl)s2)OC1=O |r|
13001 Clc1ccc(s1)C(=O)NC[C@@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13004 Brc1ccc(o1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13005 Clc1ccc(cc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13006 Clc1cccc(c1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13007 Clc1ccccc1C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13008 Nc1cc(sc1Cl)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13009 Clc1ncc(s1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13010 Clc1ccc(nc1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13011 Clc1ccc(cn1)C(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13012 CN(C[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O)C(=O)c1ccc(Cl)s1 |r|
13013 Clc1ccc(s1)S(=O)(=O)NC[C@H]1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O |r|
13014 Clc1ccc2CCNCc2c1Cl
13015 NCC(O)c1ccccc1
13016 C1Cc2ccccc2CN1
13017 NS(=O)(=O)c1ccc2CCNCc2c1
13018 CS(=O)(=O)c1ccc2CCNCc2c1
13019 O=S(=O)(c1ccccc1)c1ccc2CCNCc2c1
13020 C=CCS(=O)(=O)c1ccc2CCNCc2c1
13021 ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1
13022 NS(=O)(=O)c1ccc2CC(CF)NCc2c1
13023 NS(=O)(=O)c1ccc2CC(CO)NCc2c1
13024 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
13025 OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
13026 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
13027 OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
13028 FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
13029 CNS(=O)(=O)c1ccc2CC(CF)NCc2c1
13030 CCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
13031 CCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
13032 COCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
13033 FCC1Cc2ccc(cc2CN1)S(=O)(=O)Cc1ccc(Cl)cc1
13034 FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCC(F)(F)F
13035 FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCCC(F)(F)F
13036 CCS(=O)(=O)c1ccc2CC(CF)NCc2c1
13037 CCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
13038 CCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
13039 COCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
13040 FCC1Cc2ccc(cc2CN1)S(=O)(=O)CC(F)(F)F
13041 CS(=O)(=O)c1ccc2CC(CF)NCc2c1
13042 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:29:2.3|
13043 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(O)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13044 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](CC(O)=O)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
13045 COc1cc(Nc2c(cnc3cc(ccc23)-c2coc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
13046 COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)o2)C#N)c(Cl)cc1Cl
13047 COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCN(C)CC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
13048 COc1cc(Nc2c(cnc3cc(-c4ccc(CN5CCN(C)CC5)o4)c(OC)cc23)C#N)c(Cl)cc1Cl
13049 CN1CCN(Cc2cc(co2)-c2ccc3c(Nc4ccc(Cl)cc4Cl)c(cnc3c2)C#N)CC1
13050 COc1cc(Nc2c(cnc3ccc(cc23)-c2coc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
13051 COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
13052 COc1cc(Nc2c(cnc3cc(-c4coc(CN(C)C)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
13053 COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCN(CC5)c5ccccc5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
13054 CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
13055 CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
13056 CCN[C@@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
13057 CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 |r|
13058 NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
13059 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@H](C(O)=O)c3ccccc3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:32:2.3|
13060 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N[C@@H](Cc3ccccc3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13061 N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
13062 NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(OS(N)(=O)=O)cc1)n1cncn1
13063 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
13064 CS(=O)(=O)c1ccc(cc1)-n1cc(c(n1)C(F)(F)F)-c1ccc(F)cc1
13065 COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
13066 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
13067 Cc1cc(C)n(n1)-c1ccc(cc1)S(N)(=O)=O
13068 NS(=O)(=O)c1ccc(Sc2cccs2)s1
13069 CCOC(=O)C(C)Oc1ccc(cc1)S(N)(=O)=O
13070 Cc1cc(=O)n([nH]1)-c1ccc(cc1)S(N)(=O)=O
13071 NS(=O)(=O)c1ccc(s1)-c1ccccn1
13072 Cn1sc(=O)c2cc(ccc12)S(N)(=O)=O
13073 NS(=O)(=O)c1ccc(N2CCCC2=O)c(c1)[N+]([O-])=O
13074 ONC(=O)CS(=O)(=O)c1ccc(Cl)cc1
13075 NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
13076 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
13077 NS(=O)(=O)c1ccc(s1)S(=O)(=O)c1cccs1
13078 NN1Nc2cc(ccc2O1)S(N)(=O)=O
13079 ONC(=O)CN1CN=C(Cl)C1Cl |t:7|
13080 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
13081 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(Cl)cc1
13082 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccccc1
13083 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(C)cc1
13084 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(F)cc1
13085 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)N(C)C
13086 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(N)cc1
13087 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)C(F)(F)F
13088 CCCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
13089 CC(C)CCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
13090 CCCCCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
13091 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCC2CCCCC2)cc1
13092 CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OC(C)C)cc1
13093 CCOCCOc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
13094 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(O)(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
13095 COc1ccc(cc1)S(=O)(=O)N(CCc1ccccc1)CC(=O)NO
13096 COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)CC(=O)NO
13097 COc1ccc(cc1)S(=O)(=O)N(CCCCc1ccccc1)CC(=O)NO
13098 COc1ccc(cc1)S(=O)(=O)N(CCC(C)C)CC(=O)NO
13099 COc1ccc(cc1)S(=O)(=O)N(CC1CCCCC1)CC(=O)NO
13100 COc1ccc(cc1)S(=O)(=O)N(CCC1CCCCC1)CC(=O)NO
13101 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)C1CCCCC1
13102 CCC(C)N(CC(=O)NO)S(=O)(=O)c1ccc(OC)cc1
13103 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)C(C)(C)C
13104 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(Cl)cc1
13105 COc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
13106 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc(cc1)-c1ccccc1
13107 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(F)(F)F
13108 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC4(CC3)NC(=O)NC4=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13109 COc1ccc(cc1)S(=O)(=O)N(CCN1CCOCC1)CC(=O)NO
13110 COc1ccc(cc1)S(=O)(=O)N(CCN1CCCCC1)CC(=O)NO
13111 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccc(OC)c1
13112 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cc(OC)c(OC)c(OC)c1
13113 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccncc1
13114 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1cccnc1
13115 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccccn1
13116 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)Cc1ccc2ccccc2n1
13117 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN3CCC(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13118 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NO |r|
13119 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(=O)NO |r|
13120 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)NO
13121 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NO |r|
13122 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)C)C(=O)NO |r|
13123 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(=O)NO)c1ccccc1 |r|
13124 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C(=O)NO)C(C)(C)C
13125 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C(C)C)C(=O)NO
13126 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO |r|
13127 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCSC)C(=O)NO |r|
13128 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCS(C)(=O)=O)C(=O)NO |r|
13129 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO |r|
13130 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCCCN(C)C)C(=O)NO |r|
13131 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](COC(C)(C)C)C(=O)NO |r|
13132 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(Cc1ccc(O)cc1)C(=O)NO
13133 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)(C)C)C(=O)NO |r|
13134 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC1CCCCC1)C(=O)NO |r|
13135 CCC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO |r|
13136 COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CCN1CCOCC1)C(=O)NO
13137 COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CC(C)C)C(=O)NO |r|
13138 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(=O)NCC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
13139 COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@@H](C(C)C)C(=O)NO |r|
13140 COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CCCCN(C)C)C(=O)NO |r|
13141 COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](CC(C)(C)C)C(=O)NO |r|
13142 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
13143 CC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C |r|
13144 CCC(CC)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C |r|
13145 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1 |r|
13146 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 |r|
13147 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 |r|
13148 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
13149 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 |r|
13150 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 |r|
13151 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 |r|
13152 CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 |r|
13153 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1CCCc1ccccc1 |r|
13154 CC(C)[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 |r|
13155 CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
13156 CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
13157 CCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r|
13158 CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O |w:10.10|
13159 Oc1cc(O)c(O)c(C=C)c1O
13160 CCCCCCC=Cc1c(O)c(O)cc(O)c1O |w:7.7|
13161 Oc1cc(O)c(O)c(C=CCCc2ccccc2)c1O |w:8.7|
13162 Oc1cc(O)c(O)c(C=Cc2ccccc2)c1O |w:8.7|
13163 CCCCc1cccc(C=Cc2c(O)c(O)cc(O)c2O)c1 |w:10.10|
13164 Oc1cc(O)c(O)c(C=Cc2cccc(CCc3ccccc3)c2)c1O |w:8.7|
13165 Cc1cccc(CCc2cccc(C=Cc3c(O)c(O)cc(O)c3O)c2)c1 |w:14.14|
13166 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
13167 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r|
13168 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc12)C(C)(C)C |r|
13169 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc12)C(C)(C)C |r|
13170 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12)C(C)(C)C |r|
13171 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)C(C)(C)C |r|
13172 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc12)C(C)(C)C |r|
13173 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C |r|
13174 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C |r|
13175 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r|
13176 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1 |r|
13177 C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
13178 C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C |r|
13179 C[C@H](N(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 |r|
13180 CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C |r|
13181 C[C@H](N)C(=O)Nc1ccc2c(C)cc(C)nc2n1 |r|
13182 CCCCOc1ccc(cc1)-c1nnc(NC(=O)[C@H](C)N)s1 |r|
13183 C[C@H](N)C(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 |r|
13184 C[C@H](N)C(=O)Nc1nc(cs1)-c1ccc(Cl)c(C)c1 |r|
13185 C[C@H](N)C(=O)Nc1nc(C)c(Cc2c(C)cc(C)cc2C)[nH]1 |r|
13186 C[C@H](N)C(=O)Nc1nc(c(C)s1)-c1ccccc1 |r|
13187 C[C@H](N)C(=O)Nc1nc(c(s1)C(C)(C)C)-c1ccccc1 |r|
13188 C[C@H](N)C(=O)Nc1nc(C)c(s1)-c1ccccc1 |r|
13189 C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1 |r|
13190 C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Br)cc1 |r|
13191 C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Cc2ccccc2)cc1 |r|
13192 C[C@H](N)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1cccc(Cc2ccccc2)c1 |r|
13193 C[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1 |r|
13194 C[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1 |r|
13195 C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1 |r|
13196 C[C@H](N)C(=O)Nc1nc(COc2ccc3ccccc3c2)c(Cc2ccccc2)s1 |r|
13197 C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1 |r|
13198 C[C@H](N)C(=O)Nc1nc2c(ccc3ccccc23)s1 |r|
13199 C[C@H](N)C(=O)Nc1nc-2c(CCc3ccccc-23)s1 |r|
13200 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O |r|
13201 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(CC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
13202 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
13203 C[C@H](N)C(=O)N[C@H]1CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
13204 CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
13205 CCC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
13206 CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
13207 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)Nc1ccccc1 |r|
13208 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCCc1ccccc1 |r|
13209 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
13210 CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
13211 CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
13212 CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
13213 CC[C@H](N(C)C)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
13214 C[C@H](O)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
13215 Cc1nc(N)sc1C(=O)Nc1c(C)cc(C)cc1C
13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
13217 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C
13218 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cccc1Cl
13219 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cccc1C
13220 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(Br)cc1C
13221 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(Cl)cccc1Cl
13222 COC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
13223 CC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
13224 Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
13225 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1
13226 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccccc1C
13227 CC(C)c1cccc(C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
13228 COc1cccc(C)c1NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
13229 Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1ccc(C)cc1C
13230 Cc1nc(NC(=O)OCc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
13231 Cc1nc(NC(=O)C(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C
13232 Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1c(C)cc(C)cc1C
13233 Cc1nc(NC(=O)c2ccoc2)sc1C(=O)Nc1c(C)cc(C)cc1C
13234 Cc1nc(NC(=O)c2ccsc2)sc1C(=O)Nc1c(C)cc(C)cc1C
13235 Cc1nc(NC(=O)c2ccsc2)sc1C(=O)Nc1c(C)cccc1Cl
13236 Cc1nc(NC(=O)c2cccs2)sc1C(=O)Nc1c(C)cccc1Cl
13237 Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1c(C)cccc1Cl
13238 Cc1nc(NC(=O)c2ccccc2)sc1C(=O)Nc1c(C)cccc1Cl
13239 Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1c(C)cccc1Cl
13240 CNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
13241 Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
13242 CCCCNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cc(C)cc1C
13243 Cc1nc(NC(=O)NC(C)(C)C)sc1C(=O)Nc1c(C)cc(C)cc1C
13244 Cc1nc(NC(=O)NCc2ccccc2)sc1C(=O)Nc1c(C)cc(C)cc1C
13245 CCCCNC(=O)Nc1nc(C)c(s1)C(=O)Nc1c(C)cccc1Cl
13246 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
13247 CCC(=O)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
13248 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2(C)CC2)s1
13249 CC1CC1C(=O)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
13250 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccccc2)s1
13251 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2cccs2)s1
13252 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccsc2)s1
13253 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccco2)s1
13254 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CCC2)s1
13255 Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CCCC2)s1
13256 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccn2)s1
13257 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnc2)s1
13258 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccncc2)s1
13259 Cc1cccc(C)c1NC(=O)c1cnc(Nc2ccccn2)s1
13260 Cc1cc(C)c(NC(=O)c2cnc(Nc3ccccn3)s2)c(C)c1
13261 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnn2)s1
13262 Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccnn2)s1
13263 Cc1cnc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c(C)n1
13264 Cc1cc(C)c(NC(=O)c2cnc(Nc3cnccn3)s2)c(C)c1
13265 Cc1cccc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
13266 Cc1ccnc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c1
13267 Cc1cc(C)nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)c1
13268 Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
13269 Cc1cc(C)nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
13270 Cc1cc(C)c(NC(=O)c2cnc(Nc3cc(C)nc(C)n3)s2)c(C)c1
13271 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)n2)s1
13272 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCN3CCOCC3)n2)s1
13273 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCCn3ccnc3)n2)s1
13274 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(ncn2)N2CCOCC2)s1
13275 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCOCC2)s1
13276 Cc1nc(NCCCN2CCOCC2)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
13277 Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc(NCCO)nc(C)n2)s1
13278 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCC(CO)CC1
13279 COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
13280 COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
13281 COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
13282 COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
13283 COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
13284 COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2NC(C)=O)C(N)=N)C1=O |r|
13285 COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(N)cc(c2)C(N)=N)C1=O |r|
13286 COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
13287 COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(O)c(c2)C(N)=N)C1=O |r|
13288 COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N |r|
13289 COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2OCC(O)=O)C(N)=N)C1=O |r|
13290 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1 |r|
13291 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccn3)C2=O)c1 |r|
13292 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3cccnc3)C2=O)c1 |r|
13293 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccncc3)C2=O)c1 |r|
13294 C[n+]1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
13295 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3cc[n+]([O-])cc3)C2=O)c1 |r|
13296 Cn1ccnc1-c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
13297 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccccn3)C2=O)c1 |r|
13298 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
13299 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccncc3)C2=O)c1 |r|
13300 COc1nccc(n1)-c1ccc(s1)S(=O)(=O)N[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
13301 NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
13302 NC(=N)c1ccc(F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
13303 NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
13304 NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
13305 NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
13306 NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
13307 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
13308 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccc1
13309 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(Br)cc1)Cc1ccccn1
13310 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccn1
13311 Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)C#N)S(=O)(=O)c1cn(C)cn1
13312 Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(cc1)-c1ccccc1)S(=O)(=O)c1cn(C)cn1
13313 Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(cc1)C#N
13314 CN(C)c1cccc2c(cccc12)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
13315 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCCCC1
13316 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)-c1ccccc1
13317 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC(=O)NC(C)(C)C
13318 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccc(cc1)C#N
13319 Cn1cnc(c1)S(=O)(=O)N(CC(=O)OC(C)(C)C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
13320 CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1
13321 Cn1cnc(c1)S(=O)(=O)N(CC(Br)=C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
13322 Cn1cnc(c1)S(=O)(=O)N(CC(=O)NC(C)(C)C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
13323 Cn1cnc(c1)S(=O)(=O)N(Cc1ccccc1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
13324 Cc1ccccc1CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1
13325 Cn1cnc(c1)S(=O)(=O)N(CC1CCN(CC1)C(=O)OC(C)(C)C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
13326 Cn1cnc(c1)S(=O)(=O)N(Cc1ccc2ccccc2c1Br)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
13327 Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccccn1)S(=O)(=O)c1ccccn1
13328 Cc1onc(c1CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1ccccn1)-c1ccccc1
13329 Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccc2ccccc2c1Br)S(=O)(=O)c1ccccn1
13330 Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1cc2nsnc2cc1Cl)S(=O)(=O)c1ccccn1
13331 Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccn1
13332 Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccnc1
13333 Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccncc1
13334 Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC(=O)NC(C)(C)C)S(=O)(=O)Cc1ccc(F)cc1
13335 Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC(=O)NC(C)(C)C)S(=O)(=O)c1nccn1C
13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
13337 Nc1ncccc1OCc1ccccc1
13338 C(Oc1cccnc1)c1ccccc1
13339 Nc1ncccc1OCc1c(Cl)cccc1Cl
13340 Nc1ncccc1OCc1cccc2ccccc12
13341 OCCNc1ccc(OCc2c(Cl)cccc2Cl)cn1
13342 CC(C)(CO)Nc1ccc(OCc2c(Cl)cccc2Cl)cn1
13343 Clc1ccc(NC(=O)c2ccccc2)cc1COc1cccnc1
13344 Fc1cc(cc(c1)C(=O)Nc1ccc(Cl)c(COc2cccnc2)c1)N1CCOCC1
13345 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)[nH]n1
13346 C(Cc1ccncc1)c1c[nH]c2ccccc12
13347 C(Cc1ccncn1)c1c[nH]c2ccccc12
13348 Clc1nccc(CCc2c[nH]c3ccccc23)n1
13349 CC(C)(CO)Nc1nccc(CCc2c[nH]c3ccccc23)n1
13350 Fc1cc(cc(c1)C(=O)Nc1ccc2[nH]ccc2c1)N1CCOCC1
13351 Fc1cc(cc(c1)C(=O)Nc1ccc2[nH]cc(CCc3ccncc3)c2c1)N1CCOCC1
13352 C(Cn1ccc2ccccc12)c1ccncc1
13353 Fc1cc(cc(c1)C(=O)Nc1ccc2ccn(CCc3ccncc3)c2c1)N1CCOCC1
13354 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1ccccc1
13355 Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1
13356 Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
13357 Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
13358 CSCC[C@H](NC(=O)[C@H]1CC2CCCCC2N1C(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13359 CSCC[C@H](NC(=O)[C@H](Cc1ccc(C)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13360 CSCC[C@H](NC(=O)[C@@H](Cc1ccc(C)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13361 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13362 CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13363 CSCC[C@H](NC(=O)[C@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13364 CSCC[C@H](NC(=O)[C@@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13365 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13366 CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13367 CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
13368 CSCC[C@H](NC(=O)[C@@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
13369 CSCC[C@H](NC(=O)[C@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
13370 CSCC[C@H](NC(=O)[C@@H](Cc1cc(C)c(O)cc1C)NC(=O)[C@@H](NC(=O)[C@H](CS)NC=O)C(C)C)C(O)=O |r|
13371 COC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C |r|
13372 COC(=O)[C@H](CCSC)NC(=O)[C@@H](Cc1ccc(O)c(C)c1C)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C |r|
13373 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O |r|
13374 Cn1cncc1C(OCc1ccc(Cl)cc1-c1ccccc1Cl)c1ccc(cc1)C#N
13375 Cn1cncc1C(OCc1ccc(Cl)cc1-c1cccc(Cl)c1)c1ccc(cc1)C#N
13376 Cn1cncc1C(OCc1ccc(Cl)cc1-c1ccc(Cl)cc1)c1ccc(cc1)C#N
13377 COc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
13378 CCOc1cccc(c1)-c1cc(Cl)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
13379 Cn1cncc1C(OCc1ccc(cc1-c1ccccc1)C#N)c1ccc(cc1)C#N
13380 Cn1cncc1C(OCc1ccc(cc1-c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
13381 Cn1cncc1C(OCc1ccc(cc1-c1cccc2cccnc12)C#N)c1ccc(cc1)C#N
13382 Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
13383 COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13384 COc1cccc(c1)-c1cc(ccc1CO[C@@H](c1cncn1C)c1ccc(cc1)C#N)C#N |r|
13385 COc1cccc(c1)-c1cc(ccc1CO[C@H](c1cncn1C)c1ccc(cc1)C#N)C#N |r|
13386 Cn1cncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
13387 Cn1cncc1C(OCc1ccc(cc1-c1ccc2OC(F)(F)Oc2c1)C#N)c1ccc(cc1)C#N
13388 CCOc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13389 Cn1cncc1C(OCc1ccc(cc1)C#N)c1ccc(C#N)c(c1)-c1cccc2ccccc12
13390 COCc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13391 COc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13392 CCOc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13393 Cn1cncc1C(OCc1ccc(cc1-c1ccc(OC(F)(F)F)cc1)C#N)c1ccc(cc1)C#N
13394 Cc1ccc(cc1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13395 Cn1cncc1C(OCc1ccc(cc1-c1cc(F)cc(F)c1)C#N)c1ccc(cc1)C#N
13396 COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)[N+]([O-])=O
13397 COc1cccc(c1)-c1cc(N)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
13398 COc1cccc(c1)-c1cc(NS(C)(=O)=O)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
13399 COCC(=O)Nc1ccc(COC(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
13400 COC(=O)c1ccc(COC(c2cncn2C)c2ccc(cc2)C#N)c(c1)-c1cccc(OC)c1
13401 COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C(O)=O
13402 COc1cccc(c1)-c1cc(C=O)ccc1COC(c1cncn1C)c1ccc(cc1)C#N
13403 COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(Cl)cc1)C#N
13404 COc1cccc(c1)-c1cc(ccc1COC(c1cncn1C)c1ccc(C#N)c(Cl)c1)C#N
13405 Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(C#N)c(F)c1
13406 Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1F)C#N
13407 Cn1cncc1C(OCc1ccc(cc1-c1cccc(Cl)c1)C#N)c1ccc(cc1)C(F)(F)F
13408 Cc1ncc(C(OCc2ccc(cc2-c2cccc(Cl)c2)C#N)c2ccc(cc2)C#N)n1C
13409 Cc1ncc(C(OCc2ccc(cc2-c2ccc3OCOc3c2)C#N)c2ccc(cc2)C#N)n1C
13410 Clc1cccc(c1)-c1cc(ccc1COC(c1cncs1)c1ccc(cc1)C#N)C#N
13411 Clc1ccncc1C(OCc1ccc(cc1-c1ccc2OCOc2c1)C#N)c1ccc(cc1)C#N
13412 Cn1cncc1C(OCc1ccc(cc1NS(=O)(=O)c1cccs1)C#N)c1ccc(cc1)C#N
13413 Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1COC(c1cncn1C)c1ccc(cc1)C#N)C#N
13414 Cn1cncc1C(OCc1ccc(cc1NS(=O)(=O)c1cccc2ccccc12)C#N)c1ccc(cc1)C#N
13415 Cn1cncc1C(OCc1ccc(cc1NCc1cc(F)cc(F)c1)C#N)c1ccc(cc1)C#N
13416 Cn1cncc1C(OCc1ccc(cc1NC(=O)c1ccccc1)C#N)c1ccc(cc1)C#N
13417 Cn1cncc1C(OCc1ccc(cc1C(=O)Nc1ccccc1)C#N)c1ccc(cc1)C#N
13418 Cn1cncc1C(OCc1ccc(cc1C(=O)Nc1cccc(Cl)c1)C#N)c1ccc(cc1)C#N
13419 C[C@]12CCC3C(CCc4cc(ccc34)S(N)(=O)=O)C1CCC2=O |r|
13420 C[C@]12CCC3C(CCc4cc(NS(N)(=O)=O)ccc34)C1CCC2=O |r|
13421 C[C@]12CCC3C(CCc4cc(OP(C)(O)=S)ccc34)C1CCC2=O |r|
13422 CN(C)S(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
13423 Cc1c(CCC2CCCCC2)c(=O)oc2cc(OS(N)(=O)=O)ccc12
13424 COc1cc2C3CC[C@]4(C)C(O)CCC4C3CCc2cc1OS(N)(=O)=O |r|
13425 COc1cc2C3CC[C@]4(C)C(CCC4C3CCc2cc1O)OS(N)(=O)=O |r|
13426 COc1cc2C3CC[C@]4(C)C(CCC4C3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r|
13427 CCc1cc2C3CC[C@@]4(C)C(CCC4=O)C3CCc2cc1OS(N)(=O)=O |r|
13428 CCc1cc2C3CC[C@]4(C)C(CCC4C3CCc2cc1OS(N)(=O)=O)OS(N)(=O)=O |r|
13429 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OS(N)(=O)=O)C1CCC2=O |r,t:7|
13430 C[C@]12CCC3C(CC=C4C[C@H](CC[C@]34C)OS(O)(=O)=O)C1CCC2=O |r,t:7|
13431 CNC(=O)[C@H](Cc1ccc(NS(O)(=O)=O)cc1)NC(=O)OC(C)(C)C |r|
13432 Cc1cc(=O)oc2c(F)c(OP(O)(O)=O)c(F)cc12
13433 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
13434 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C |r|
13435 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)c1ccccc1 |r|
13436 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCCc1ccccc1 |r|
13437 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)NCc1ccccc1 |r|
13438 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCC(O)=O |r|
13439 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCCCc1ccccc1 |r|
13440 CNC(=O)[C@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
13441 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)COc1ccccc1 |r|
13442 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCOc1ccccc1 |r|
13443 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCc1ccccc1 |r|
13444 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)OCc1ccccc1 |r|
13445 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)CCc1coc2ccccc12 |r|
13446 CNC(=O)[C@@H]1Cc2ccc(NS([O-])(=O)=O)cc2CN1C(=O)C=Cc1coc2ccccc12 |r,w:21.22|
13447 CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1CO |r|
13448 CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1C(=O)NCc1ccccc1 |r|
13449 CC(C)(C)OC(=O)N1Cc2cc(NS(O)(=O)=O)ccc2C[C@H]1C(=O)NCCc1ccccc1 |r|
13450 COC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
13451 CC(C)COC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
13452 Cc1noc(n1)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)OC(C)(C)C |r|
13453 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(OC)cc1 |r|
13454 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(cc1)C(F)(F)F |r|
13455 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(C)cc1 |r|
13456 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cc(NS(C)(=O)=O)cc(c1)C(F)(F)F |r|
13457 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(c1)C(F)(F)F |r|
13458 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(Cl)c1 |r|
13459 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)COc1cccc(O)c1C(=O)OC |r|
13460 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(O)c1 |r|
13461 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(NS(O)(=O)=O)c1 |r|
13462 CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1cccc(c1)C(O)=O |r|
13463 OS(=O)(=O)Nc1cccc(CCC(=O)NCc2cccc(NS(O)(=O)=O)c2)c1
13464 OS(=O)(=O)Nc1cccc(CCC(=O)N2CCc3ccc(NS(O)(=O)=O)cc3C2)c1
13465 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O |r|
13466 [O-][N+](=O)c1ccc(O[P+]([O-])([O-])[O-])cc1
13467 NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r|
13468 NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r|
13469 NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
13470 OP(O)(=O)C(F)(F)c1ccc(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(cc2)C(F)(F)P(O)(O)=O)cc1 |r|
13471 NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)CNC(=O)Cc1ccc(cc1)C(F)(F)P(O)(O)=O |r|
13472 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O |r|
13473 O=C1C[C@@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
13474 FC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccc(cc2[nH]1)C(F)(F)F |r|
13475 CN1CCOc2cc(ccc12)S(=O)(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13476 COc1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
13477 FC(F)(F)c1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
13478 Brc1cccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
13479 Fc1cc(Cl)cc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
13480 Fc1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
13481 Clc1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
13482 FC(F)(F)c1ccc2sc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
13483 FC(F)(F)c1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
13484 COc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
13485 Brc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
13486 Clc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
13487 Cc1ccc2nc(N[C@@H](Cc3ccc(cc3)[C@@H]3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
13488 CC(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13489 CC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13490 FC(F)(C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1)c1ccccc1 |r|
13491 CC(C)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13492 O=C(CCc1ccccc1)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13493 FC(F)(F)c1cc(ccc1Br)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13494 Clc1cc(Cl)cc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13495 Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13496 Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13497 Cc1cc(ccc1-c1ccccc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13498 CC(C)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13499 O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3cccc(Oc4ccccc4)c3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
13500 O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
13501 O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccc(Oc4ccncc4)cc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
13502 Clc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13503 FC(F)(F)c1ccc(c(Br)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13504 FC(F)(F)c1ccc(c(c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1)C(F)(F)F |r|
13505 FC(F)(F)c1ccc(Oc2cccc(c2)S(=O)(=O)N[C@@H](Cc2ccc(cc2)C2CC(=O)NS2(=O)=O)c2nc3ccccc3[nH]2)cc1 |r|
13506 Cc1ccccc1S(=O)(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
13507 O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2C#N)S(=O)(=O)N1 |r|
13508 Fc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
13509 Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
13510 Clc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
13511 O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2C#C)S(=O)(=O)N1 |r|
13512 Brc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
13515 C[C@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
13516 C[C@H]1N(CNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
13517 C[C@H]1N(CCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
13518 C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
13519 C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
13520 C[C@@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
13521 C[C@@H]1N(CCCNC1=O)C(=O)C[C@@H](N)Cc1cc(F)c(F)cc1F |r|
13522 C[C@H]1N(CCCNC1=O)C(=O)C[C@@H](N)Cc1cc(F)c(F)cc1F |r|
13523 N[C@@H](CC(=O)N1CCCNC(=O)C1)Cc1cc(F)c(F)cc1F |r|
13524 CC[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
13525 N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)Cc1cc(F)c(F)cc1F |r|
13526 N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F |r|
13527 N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccn1)Cc1cc(F)c(F)cc1F |r|
13528 N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cn1cccn1)Cc1cc(F)c(F)cc1F |r|
13529 Cn1nc(cc1NS(O)(=O)=O)-c1ccccc1
13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
13532 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCNC(=O)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
13536 COc1cc(cc(OC)c1OC)C(=O)NNc1c2CCCCc2nc2ccccc12
13537 COc1cc(cc(OC)c1OC)C(=O)NCC(=O)NNc1c2CCCCc2nc2ccccc12
13538 COc1cc(cc(OC)c1OC)C(=O)NCCC(=O)NNc1c2CCCCc2nc2ccccc12
13539 COc1cc(cc(OC)c1OC)C(=O)NCCCC(=O)NNc1c2CCCCc2nc2ccccc12
13540 COc1cc(cc(OC)c1OC)C(=O)NCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
13541 COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
13542 COc1cc(cc(OC)c1OC)C(=O)NCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
13543 COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
13544 COc1cc(cc(OC)c1OC)C(=O)NCCCCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12
13545 COc1cc(CCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
13546 COc1cc(CCC(=O)NCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
13547 COc1cc(CCC(=O)NCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
13548 COc1cc(CCC(=O)NCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
13549 COc1cc(CCC(=O)NCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
13550 COc1cc(CCC(=O)NCCCCCC(=O)NNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
13551 CCN(CC)C(C)C(=O)N1c2ccccc2Sc2ccccc12
13552 COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r|
13553 CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
13554 COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1 |r|
13555 COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1 |r|
13556 COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13557 CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13558 CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13559 CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13560 CCc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13561 NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(C=C)c2)cc1
13562 NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(c2)C#C)cc1
13563 CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O |r,wU:7.6,wD:10.10,(-7.94,9.1,;-6.61,8.33,;-5.27,9.1,;-3.94,8.33,;-2.61,9.1,;-1.27,8.33,;.06,9.1,;1.39,8.33,;2.73,9.1,;4.06,8.33,;4.06,6.79,;5.4,6.02,;2.73,6.02,;1.39,6.79,;-1.27,6.79,;-2.61,6.02,;-3.94,6.79,;-2.61,4.48,;-1.27,3.71,;-1.27,2.17,;-2.61,1.4,;-2.61,-.14,;-1.27,-.91,;.06,-.14,;.06,1.4,;-1.27,-2.45,;-2.61,-3.22,;.06,-3.22,;-3.94,3.71,;-5.27,4.48,;-3.94,2.17,)|
13564 CCOc1cc(OC2CCN(CC2)S(C)(=O)=O)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13565 CCOc1cc(OC2CCN(C)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13566 CCOc1cc(O[C@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O |r|
13567 NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@H]3CCOC3)cc(c2)C#C)cc1 |r|
13568 CCOc1cc(O[C@@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O |r|
13569 NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@@H]3CCOC3)cc(c2)C#C)cc1 |r|
13570 CCOc1cc(O[C@H]2CCOC2)cc(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O |r|
13571 CCOc1cc(cc(c1)-c1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13572 CCOc1cc(cc(c1)-c1cccnc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13573 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
13574 CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
13575 COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
13576 CCOc1ccc(cc1OCC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
13577 COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
13578 CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
13579 CCOc1ccc(CNc2ccc(cc2)C(N)=N)cc1OCC
13580 COc1cc(CNc2ccc(cc2)C(N)=N)ccc1OCc1ccccc1
13581 COc1cc(CNc2ccc(cc2)C(N)=N)c(NS(C)(=O)=O)cc1OCc1ccccc1
13582 COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)NCc2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1
13583 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCNC(CO)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
13586 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC3)(NC(C)=O)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:34:2.3|
13587 CCOc1cc(OCC)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13588 CCOc1cc(OC2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13589 CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O
13590 CCOc1cc(O[C@@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O |r|
13591 CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O |r|
13592 COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N |r|
13593 OP(O)(=O)C(F)(F)c1ccc(C[C@H](c2ccccc2)n2nnc3ccccc23)cc1 |r|
13594 [O-]P([O-])(=O)Oc1ccc2c(Oc3cc(OP([O-])([O-])=O)ccc3C22OC(=O)c3ccccc23)c1
13595 OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13596 OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccc(F)c(F)c2)n2nnc3ccccc23)cc1
13597 OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc23)cc1
13598 OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)-c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
13599 OP(O)(=O)c1cccc(c1)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13600 COc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13601 CC(C)CCOc1ccc(cc1P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13602 Cc1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13603 CC(C)CC(O)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13604 COC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13605 COCOC(CC(C)C)c1ccc2cc(cc(c2n1)P(O)(O)=O)-c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(c2ccccc2)n2nnc3ccccc23)cc1
13606 CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(N)=O |r|
13607 CCCCCNC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)CCC(O)=O |r|
13608 CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)CCC(O)=O |r|
13609 CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r|
13610 CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)CCC(O)=O |r|
13611 CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(O)=O |r|
13612 CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)OC)c(c1)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)OC |r|
13613 CCCCCNC(=O)[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
13614 CCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1[nH]ncc1=S |r|
13615 Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)nc1
13616 Fc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13617 Fc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
13618 Fc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
13619 Clc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
13620 Fc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13621 Cc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13622 COc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13623 Clc1ccc(cc1OCCc1ccc(cc1)C#N)C(=O)NCC1CCN(CC1)c1ccncc1
13624 Clc1cccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c1
13625 COc1cccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c1
13626 Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13627 CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13628 CC(=O)Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13629 Fc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
13630 Fc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13631 Cc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13632 COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13633 Fc1ccc(cc1OCCc1ccc(cc1)C#N)C(=O)NCC1CCN(CC1)c1ccncc1
13634 Fc1ccc(cc1OCCc1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccncc1
13635 COc1cccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)c1
13636 Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13637 CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13638 CC(=O)Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13639 Clc1ccc(CCOc2cccc(c2)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13640 Clc1ccc(CCOc2cc(ccc2Br)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13641 Clc1ccc(CCOc2cc(ccc2I)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13642 Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13643 FC(F)(F)c1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13644 Clc1ccc(CCOc2cc(ccc2C#N)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13645 Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13646 CNc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13647 Clc1ccc(CCOc2cc(ccc2NC=O)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13648 CC(=O)Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13649 NC(=O)Nc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13650 NC(=O)c1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13651 NC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(c1)C(=O)NCC1CCN(CC1)c1ccncc1
13652 CSc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13653 CCOc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13654 CC(C)Oc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13655 COc1cc(OCCc2ccc(Cl)cc2Cl)cc(c1)C(=O)NCC1CCN(CC1)c1ccncc1
13656 COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)NCC1CCN(CC1)c1ccncc1
13657 CCOc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OCC)C(=O)NCC1CCN(CC1)c1ccncc1
13658 Clc1ccc(CCOc2cc(cc3OCOc23)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13659 COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
13660 CCOc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
13661 COc1c(Br)cc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13662 COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13663 COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1C)C(=O)NCC1CCN(CC1)c1ccncc1
13664 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13665 COc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
13666 COc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
13667 Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
13668 Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
13669 CC(=O)Oc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1Br)C(=O)NCC1CCN(CC1)c1ccncc1
13670 COc1cc(cc(OCCc2ccc(Cl)cc2)c1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
13671 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#8]-[#6])c(-[#8]-[#6]-[#6]-c2ccc(Cl)cc2Cl)c1 |r|
13672 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(N)=N
13673 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccnc(C)c1
13674 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncn1
13675 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccnc(Cl)n1
13676 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1
13677 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(C)C
13678 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1cc[nH]c(=O)c1
13679 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(Cc2ccncc2)CC1
13680 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CC(=NO1)c1ccncc1 |c:27|
13681 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccccn2)CC1
13682 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CC(=NO1)c1cc[n+]([O-])cc1 |c:27|
13683 Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2cc[n+]([O-])cc2)CC1
13684 OCc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2cc[n+]([O-])cc2)CC1
13685 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1cc(C)nc(N)n1
13686 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccnc(SC)n1
13687 Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(N)=N
13688 Cc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C(=N)NC(=O)OCc1ccccc1
13689 CC(=N)N1CCC(CNC(=O)c2ccc(C)c(OCCc3ccc(Cl)cc3Cl)c2)CC1
13690 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccc(Cl)cc1
13691 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1cccc(c1)C#N
13692 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccc(cc1)S(C)(=O)=O
13693 COc1cc(nc(OC)n1)N1CCC(CNC(=O)c2ccc(OC)c(OCCc3ccc(Cl)cc3Cl)c2)CC1
13694 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1cc[n+]([O-])cc1
13695 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccc(cc2)C#N)CC1
13696 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)c1cc[n+]([O-])cc1
13697 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1cnccn1
13698 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1cncnc1
13699 COc1ccc(cn1)N1CCC(CNC(=O)c2ccc(OC)c(OCCc3ccc(Cl)cc3Cl)c2)CC1
13700 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C1CCCCC1
13701 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)N(C)C)CC1
13702 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccccc1
13703 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C1CCOCC1
13704 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C1CCCCC1
13705 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C1CCNCC1
13706 COc1cc(cc(OCCc2ccc(Cl)cc2Cl)c1OC)C(=O)N1CCN(Cc2ccncc2)CC1
13707 CCOc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccncc2)CC1
13708 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(cc1)-c1ccccc1C#N
13709 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC1)c1ccncc1
13710 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccccn1
13711 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(CC(=O)N2CCCC2)CC1
13712 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)N1CCN(Cc2ccc(F)cc2)CC1
13713 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCCCC1
13714 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCCN1CCCCC1
13715 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCC(CN)CC1 |(-11.35,.8,;-10.02,.03,;-8.68,.8,;-8.68,2.35,;-7.35,3.12,;-6.02,2.35,;-6.02,.8,;-7.35,.03,;-7.35,-1.51,;-8.68,-2.28,;-8.68,-3.82,;-10.02,-4.59,;-11.35,-3.82,;-12.68,-4.59,;-12.68,-6.13,;-14.02,-6.9,;-11.35,-6.9,;-10.02,-6.13,;-8.68,-6.9,;-4.68,3.12,;-4.68,4.66,;-3.14,3.12,;-2.37,4.45,;-.83,4.45,;-.06,5.78,;1.48,5.78,;2.25,4.45,;3.79,4.45,;4.56,3.12,;1.48,3.12,;-.06,3.12,)|
13716 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C1CCCC1
13717 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)C1CCCCCC1
13718 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC1)C1CCOCC1
13719 COc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NC1CCN(CC(=O)N2CCCC2)CC1
13720 Clc1ccc(CCOc2cccc(c2)C(=O)N2CCN(Cc3ccncc3)CC2)c(Cl)c1
13721 [O-][N+](=O)c1ccc(OCCc2ccc(Cl)cc2Cl)cc1C(=O)NCC1CCN(CC1)c1ccncc1
13722 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COCC1=O)CC1CCCC1 |r|
13723 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@@H](C)C1=O)CC1CCCC1 |r|
13724 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@@H](Cc2cccc(c2)C#N)C1=O)CC1CCCC1 |r|
13725 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](Cc2cccc(c2)C#N)C1=O)CC1CCCC1 |r|
13726 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CC=C)C1=O)CC1CCCC1 |r|
13727 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@@H](CC=C)C1=O)CC1CCCC1 |r|
13728 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](Cc2ccccc2)C1=O)CC1CCCC1 |r|
13729 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCO)C1=O)CC1CCCC1 |r|
13730 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC2(CC2)C1=O)CC1CCCC1 |r|
13731 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCN=[N+]=[N-])C1=O)CC1CCCC1 |r|
13732 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCN)C1=O)CC1CCCC1 |r|
13733 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCC#N)C1=O)CC1CCCC1 |r|
13734 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCCN)C1=O)CC1CCCC1 |r|
13735 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)CO[C@H](CCC(N)=O)C1=O)CC1CCCC1 |r|
13736 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(O)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
13737 COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN1[C@@H](Cc2ccccc2)COC2(CCOCC2)C1=O)CC1CCCC1 |r|
13738 CC(C)C1(C)SC(Nc2ccccc2C(F)(F)F)=NC1=O |c:18|
13739 [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC(=O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
13740 CC(C)C1(C)SC(NCc2ccccc2)=NC1=O |c:15|
13741 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2)=NC1=O |r,c:16|
13742 CC(C)C1(C)SC(N[C@H](C)c2ccccc2)=NC1=O |r,c:16|
13743 CC(C)C1(C)SC(N[C@@H](C)c2ccc(cc2)C(F)(F)F)=NC1=O |r,c:20|
13744 CC(C)C1(C)SC(N[C@@H](C)c2cccc(c2)C(F)(F)F)=NC1=O |r,c:20|
13745 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O |r,c:20|
13746 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
13747 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2Cl)=NC1=O |r,c:17|
13748 CC(C)C1(C)SC(N[C@@H](C)c2ccccc2Br)=NC1=O |r,c:17|
13749 CC(C)[C@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
13750 CC(C)[C@@]1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O |r,c:17|
13751 C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)F)c1ccccc1F |r,t:3|
13752 C[C@H](NC1=NC(=O)C(C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
13753 C[C@H](NC1=NC(=O)[C@@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
13754 C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |r,t:3|
13755 CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
13756 CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:16.16,18.18,13.13,wD:20.26,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
13757 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
13758 CC(C)(Oc1cccc(Cl)c1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;18.43,-5.6,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
13759 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
13760 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,)|
13761 COc1ccc(OC(C)(C)C(=O)N[C@H]2C3C[C@@H]4C[C@@H]2C[C@](C4)(C3)C(N)=O)cc1 |r,wU:16.15,18.17,13.12,wD:20.25,TLB:22:20:17:15.14.13,THB:15:16:19:22.14.13,21:16:13:22.19.20,23:20:17:15.14.13,(19.76,-3.29,;18.43,-2.52,;17.1,-3.29,;15.76,-2.52,;14.43,-3.29,;14.43,-4.83,;12.94,-5.22,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;1.58,-6.31,;2.51,-4.05,;15.76,-5.6,;17.1,-4.83,)|
13762 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)C(O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-5.09,-10.16,;-3.76,-12.47,)|
13763 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)C(=O)NS(C)(=O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-3.76,-12.47,;-5.09,-10.16,;-6.43,-10.93,;-7.76,-10.16,;-7.52,-12.02,;-5.66,-12.26,)|
13764 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)-c1nnn[nH]1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-4.23,-12.39,;-5.77,-12.39,;-6.25,-10.93,;-5,-10.03,)|
13765 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccc(cc1)S(N)(=O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,;-3.76,-10.93,;-5.25,-11.33,;-3.76,-12.47,;-2.43,-11.7,)|
13766 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1cncs1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;.32,-10.16,;-1.11,-10.71,;-2.08,-9.52,;-1.25,-8.22,)|
13767 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCc1ccncc1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;-2.43,-8.62,;-2.43,-10.16,;-1.09,-10.93,;.24,-10.16,)|
13768 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NCC(N)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.91,-5.54,;2.51,-4.05,;1.58,-6.31,;1.58,-7.85,;.24,-8.62,;-1.09,-7.85,;.24,-10.16,)|
13769 CNC(=O)NC(=O)[C@@]12C[C@@H]3CC(C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 |r,wU:9.9,28.30,13.14,wD:7.6,TLB:12:7:29:10.11.13,10:9:30:12.11.13,THB:8:9:13:12.30.7,5:7:29:10.11.13,(-1.09,-7.85,;.24,-8.62,;1.58,-7.85,;2.91,-8.62,;1.58,-6.31,;2.91,-5.54,;2.51,-4.05,;4.24,-6.31,;3.21,-7.32,;4.72,-7.16,;6.94,-7.93,;7.61,-6.76,;6.26,-7.03,;7.61,-5.22,;8.94,-4.45,;10.27,-5.22,;10.27,-6.76,;11.61,-4.45,;10.84,-3.12,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;6.04,-4.32,;4.72,-5.12,;4.24,-5.07,)|
13770 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](CO)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:25:21:18:16.15.14,THB:16:17:20:25.15.14,24:17:14:25.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;3.21,-7.32,;6.26,-7.03,)|
13771 CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](COCC(O)=O)(C3)C2 |r,wU:17.17,19.19,14.14,wD:21.23,TLB:29:21:18:16.15.14,THB:16:17:20:29.15.14,28:17:14:29.20.21,22:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;2.91,-5.54,;1.58,-6.31,;.24,-5.54,;-1.09,-6.31,;-2.43,-5.54,;-1.09,-7.85,;3.21,-7.32,;6.26,-7.03,)|
13772 CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)c1nnn[nH]1 |r,wU:18.18,20.20,15.15,wD:22.28,TLB:24:22:19:17.16.15,THB:17:18:21:24.16.15,23:18:15:24.21.22,25:22:19:17.16.15,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;18.43,-2.52,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.76,-6.71,;1.9,-7.99,;.42,-7.57,;.36,-6.03,;1.8,-5.5,)|
13773 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NS(C)(=O)=O |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.7,-6.31,;1.93,-4.98,;1.93,-7.64,;.39,-7.64,;-1.15,-7.64,;.39,-6.1,;.39,-9.18,)|
13774 CC(C)(Oc1ccccc1Cl)C(=O)N[C@H]1C2C[C@@H]3C[C@@H]1C[C@](C3)(C2)C(=O)NS(=O)(=O)c1ccccc1 |r,wU:17.17,19.19,14.14,wD:21.27,TLB:23:21:18:16.15.14,THB:16:17:20:23.15.14,22:17:14:23.20.21,24:21:18:16.15.14,(10.84,-3.12,;11.61,-4.45,;12.7,-3.37,;12.94,-5.22,;14.43,-4.83,;14.43,-3.29,;15.76,-2.52,;17.1,-3.29,;17.1,-4.83,;15.76,-5.6,;15.76,-7.14,;10.27,-5.22,;10.27,-6.76,;8.94,-4.45,;7.61,-5.22,;7.61,-6.76,;6.94,-7.93,;4.72,-7.16,;4.72,-5.12,;6.04,-4.32,;4.24,-5.07,;4.24,-6.31,;3.21,-7.32,;6.26,-7.03,;2.7,-6.31,;1.93,-4.98,;1.93,-7.64,;.39,-7.64,;.39,-6.1,;.39,-9.18,;-1.15,-7.64,;-1.92,-6.31,;-3.46,-6.31,;-4.23,-7.64,;-3.46,-8.98,;-1.92,-8.98,)|
13775 [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:23|
13776 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
13777 CCC(NC(=O)C(CC1CCCCC1)NS(C)(=O)=O)C(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
13778 NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
13779 OC(=O)Cc1cc(-c2nc3ccccc3[nH]2)c(O)c(c1)-c1cccc(c1)[N+]([O-])=O
13780 Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O
13781 Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(c1)[N+]([O-])=O
13782 Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(-c2ccccc2)c1O
13783 CS(=O)(=O)c1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3nc(N)ccc3[nH]2)c1O
13784 Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(-c2cccc(O)c2)c1O
13785 NC(=O)Nc1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3nc(N)ccc3[nH]2)c1O
13786 Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(CNC(=O)Nc2ccccc2)c1
13787 Nc1ccc2[nH]c(cc2n1)-c1cc(CC(O)=O)cc(c1O)-c1cccc(CNC(=O)Nc2cccnc2)c1
13788 CN(C)CCNC(=O)NCc1cccc(c1)-c1cc(CC(O)=O)cc(-c2cc3nc(N)ccc3[nH]2)c1O
13789 CCCC[C@H](NC(=O)OC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
13791 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCCN(CC(N)=O)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13792 CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O
13793 Cn1ncc2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c1=O
13794 CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O
13795 CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2C1=O
13796 CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3OC(F)(F)F)c2C1=O
13797 Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(c3)C#N)c2c1=O
13798 Cn1ncc2nc(N3CCCC(N)C3)n(Cc3cccc(CC#N)c3)c2c1=O
13799 NC1CCCN(C1)c1nc2C(=O)N(Cc3ccccc3)C(=O)c2n1Cc1ccccc1C#N
13800 NC1CCCN(C1)c1nc2c(C(=O)c3ccccc3C2=O)n1Cc1ccccc1C(F)(F)F
13801 COc1ccc2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2c1F
13802 NC1CCCN(C1)c1nc2ccc[n+]([O-])c2n1Cc1ccccc1
13803 Cn1ncc2n(Cc3ccccc3C#N)c(nc2c1=O)N1CCCC(N)C1
13804 CNC(=O)c1nc(N2CCCC(N)C2)n(Cc2ccccc2C#N)c1C(=O)NC
13805 Cn1n(C)c(=O)c2n(Cc3ccccc3C#N)c(nc2c1=O)N1CCCC(N)C1
13806 Oc1cccc(c1)C1=CC(=O)NS1(=O)=O |t:8|
13807 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)C(N)=O |r|
13808 NC(=O)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
13809 NC(=O)[C@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O |r,t:12,44|
13810 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NC(C)(C)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:28:2.3|
13811 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C1=CC(=O)NS1(=O)=O)C(N)=O |r,t:25|
13812 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@H]1CC(=O)NS1(=O)=O)C(N)=O |r|
13813 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NC3(CCCCC3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
13814 COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
13815 OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
13816 Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1
13817 COC(=O)CN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N
13818 CCN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N
13819 NC(=N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)c(Br)c3ccccc23)c1
13820 Cc1cc(C)cc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
13821 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(C(=O)NCc3cccc(c3)C(N)=N)c(Br)c12
13822 NC(=N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
13823 Cc1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(c2)C(N)=N)c2ccccc12
13824 NC(=N)c1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)c(Cl)c3ccccc23)c1
13825 NC(=N)c1cccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
13826 C[N+](C)(C)c1ccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
13827 COC(=O)c1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(c2)C(N)=N)c2ccccc12
13828 COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NC(C)c1cc[n+](C)cc1
13829 C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(cc2)C(N)=N)cc1
13830 C[n+]1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13831 C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
13832 C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13833 COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)-c1cc[n+](C)cc1
13834 C[C@H](NC(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N)c1cc[n+](C)cc1 |r|
13835 C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(c1)C(N)=S)c1ccccc1 |r|
13836 C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(c1)C(N)=N)c1ccccc1 |r|
13837 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCC1CCN(CC1)C(N)=N
13838 C[n+]1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c2ccccc12
13839 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc2ccccc12
13840 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc3ccccc23)c1
13841 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cc[n+]([O-])cc1
13842 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Cl)c(Cl)c2)c1
13843 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2cccc(Cl)c2)c1
13844 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Br)cc2)c1
13845 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Cl)cc2)c1
13846 COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCCc1ccc(O)cc1
13847 CN(CCNC(=O)c1cc2c(O)cccc2n1Cc1cccc(c1)C(N)=N)c1cccc2ccccc12
13848 C[n+]1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
13849 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCNc2cccc3ccccc23)c1
13850 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Cl)c1
13851 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Cl)cc2Cl)c1
13852 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2ccccc2Cl)c1
13853 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2ccc3ccccc3c2)c1
13854 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2ccc(Cl)c(Cl)c2)c1
13855 COc1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)cc1OC
13856 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
13857 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCN(C(O)=O)C(=O)C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
13858 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)Nc2cc(Cl)cc(Cl)c2)c1
13859 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(F)cc(F)c2)c1
13860 COc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)cc(OC)c1
13861 Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(c2)C(N)=N)c1
13862 Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
13863 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc(c1)C(N)=N
13864 NC(=N)c1cccc(COC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1
13865 NC(=N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)c1
13866 NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
13867 NC(=N)c1cccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)c1
13868 NC(=N)c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1
13869 NC(=N)c1cccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)c1
13870 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(Br)c2)c1
13871 NC(=O)Nc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
13872 NC(=N)c1cccc(Cn2c(cc3ccccc23)C(=O)NCc2cccc(c2)C(N)=O)c1
13873 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(Cl)c2)c1
13874 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(F)cc(c2)C(F)(F)F)c1
13875 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(F)c2)c1
13876 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(c2)C(O)=O)c1
13877 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(I)c2)c1
13878 COc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
13879 COC(=O)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
13880 Cc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)cc(c1)C(F)(F)F
13881 Cc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
13882 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc(c1)[N+]([O-])=O
13883 NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(c2)C(F)(F)F)c1
13884 Cc1c(F)ccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1
13885 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1
13886 CN(C)c1ccc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(c2)C(N)=N)cc1
13887 CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13888 CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13889 C[N+](C)(CC=C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13890 C[N+](C)(CC#C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13891 C[N+](C)(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
13892 COc1ccc2cc(C(=O)NCc3ccc(cc3)[N+](C)(C)C)n(Cc3cccc(c3)C(N)=N)c2c1
13893 COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)C
13894 C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13895 C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13896 C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13897 C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
13898 Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)C
13899 C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(c2)C(N)=N)[N+]([O-])=O)cc1
13900 CCOC(=O)c1cn2ncnc(Nc3ccc(F)c(Cl)c3)c2c1CC
13901 CCOC(=O)c1cn2ncnc(Nc3cccc(Br)c3)c2c1CC
13902 CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
13903 CCOC(=O)c1cn2ncnc(N[C@H](C)c3ccccc3)c2c1CC |r|
13904 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
13905 CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1CC
13906 CCOC(=O)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnn2c1
13907 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C
13908 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
13909 CCCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCC
13910 CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1Cc1ccccc1
13911 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
13912 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(N)=O
13913 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NC
13914 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N(C)C
13915 CCc1c(NC(=O)OCc2ccccc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
13916 CCc1c(CO)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
13917 CCNCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
13918 CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
13919 CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
13920 CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
13921 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)NCCCn1ccnc1
13922 CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCCCn1ccnc1
13923 CCc1c(NC(=O)OCCn2ccnc2)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
13924 [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
13925 [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1 |r|
13926 [H][C@]1(C[C@]2([H])CCC[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(CO)cc1 |r|
13927 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)N[C@@H](C(C)C)C(N)=O |r|
13928 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 |r|
13929 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2)S(=O)(=O)c1ccccc1 |r|
13930 CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2 |r|
13931 CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C(C)C)N1CCCC1=O |r|
13932 CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
13933 CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CC)C(C)C |r|
13934 COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
13935 CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(N)=O |r|
13936 CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](C)CC |r|
13937 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccccc1O
13939 COc1ccc(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
13940 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ncccc1O
13941 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1O)[N+]([O-])=O
13942 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1O
13943 COc1ccccc1-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
13944 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1ccc[nH]c1=O
13945 NC(=[NH2+])c1ccc2nc([nH]c2c1)C(=O)N(O)Cc1cccc(Oc2ccccc2)c1
13946 NC(=[NH2+])c1ccc2nc(NC(=O)Nc3ccccc3)[nH]c2c1
13947 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC4CN(CC(O)=O)CC4C3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13948 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCC(=O)N3CCCC3C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
13949 [#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
13951 Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
13952 OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccccc12
13953 CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)NC(C)=O
13954 CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O |r|
13955 O.[H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(NCc3ccc(cc3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:33:3.4|
13956 OC(=O)C(=O)N1CC2CN(CC2C1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
13957 OC(=O)C(=O)N(c1ccc2ccccc2c1)c1ccccc1C(O)=O
13958 OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccc(O)cc12
13959 OC(=O)C(=O)N(c1cccc2CCCCc12)c1ccccc1C(O)=O
13960 CCc1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
13961 CC(C)c1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
13962 OC(=O)C(=O)N(c1ccccc1Cc1ccccc1)c1ccccc1C(O)=O
13963 OCCc1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
13964 NC(=O)\C=C\c1ccccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
13965 OC(=O)C(=O)N(c1ccccc1N1CCCCC1)c1ccccc1C(O)=O
13966 CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NC(=O)OC(C)(C)C |r|
13967 CCCCCNC(=O)[C@@H](N)Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
13968 CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NC(C)=O |r|
13969 CCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NS(C)(=O)=O |r|
13970 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(CC(O)=O)CC3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
13971 CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O
13972 CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(c1)C(C)C)NC(C)=O
13973 CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CCO)c1)NC(C)=O
13974 CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(c1)N1CCCCC1)NC(C)=O
13975 CCCCCNC(=O)[C@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(\C=C\C(N)=O)c1)NS(C)(=O)=O |r|
13976 CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
13977 COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NC(=O)C(O)=O)cc1)NC(=O)OC(C)(C)C |r|
13978 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(O)=O)cc1)NC(C)=O
13979 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NC(C)=O
13980 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NS(=O)(=O)C(F)(F)F)cc1)NC(C)=O
13981 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)CO)cc1)NC(C)=O
13982 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(NC(=O)c2ncccc2O)cc1)NC(C)=O
13983 COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(NCC(O)=O)cc1)NC(=O)OC(C)(C)C |r|
13984 COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(C=CC(O)=O)cc1)NC(=O)OC(C)(C)C |r,w:25.25|
13985 COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OC(CO)C(O)=O)cc1)NC(=O)OC(C)(C)C |r|
13986 COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(OCC(O)=O)cc1)NC(=O)OC(C)(C)C |r|
13987 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OCC(O)=O)c(O)c1)NC(C)=O
13988 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OCC(O)=O)c(c1)C(O)=O)NC(C)=O
13989 COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(OCC(O)=O)c(N)c1)NC(C)=O
13990 COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O
13991 COC(=O)c1c(O)cccc1OCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O
13992 COC(=O)c1c(O)cccc1OCC(O)Cc1cccc(c1)-c1cc(no1)C(O)=O
13993 COC(=O)c1c(O)cccc1OCCNc1cccc(c1)-c1cc(no1)C(O)=O
13994 COC(=O)c1c(O)cccc1OCC1CC1c1cccc(c1)-c1cc(no1)C(O)=O
13995 COC(=O)c1c(O)cccc1OC\C=C\c1ccc2CCc3c(noc3-c2c1)C(O)=O
13996 COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1N
13997 COC(=O)c1c(O)cccc1OC\C=C\c1cccc(c1)-c1onc(C(O)=O)c1CO
13998 O=C1[C@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r|
13999 O=C1[C@@H]2CCN1Cc1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r|
14000 Clc1cc2CN3CC[C@@H](NCc4cncn4Cc4ccc(C#N)c(Oc(c1)c2)c4)C3=O |r|
14001 O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7|
14003 Clc1cccc(c1)C1N2CC[C@@H](NCc3cncn3Cc3ccc(C#N)c(Oc4cccc1c4)c3)C2=O |r,w:7.7|
14005 CC1c2ccc(C#N)c(Oc3cccc(CN4CC[C@@H](NCc5cncn15)C4=O)c3)c2 |r,w:1.0|
14007 Brc1ccc2Oc3cc(Cn4cncc4CN[C@@H]4CCN(Cc1c2)C4=O)ccc3C#N |r|
14008 O=C1[C@H]2CCN1c1ccccc1-c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r|
14009 O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14010 O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14011 CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2 |r|
14012 O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13 |r|
14013 O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CC(=O)N2)ccc4C#N)cc13 |r|
14014 O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r|
14015 O=C1[C@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CCN2)ccc4C#N)cc13 |r|
14016 CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@H]1C5=O)c4c3)c2 |r|
14017 CN1CCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(N5CC[C@@H]1C5=O)c4c3)c2 |r|
14018 O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14019 O=C1[C@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14020 O=C1[C@@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14021 O=C1[C@@H]2CCN1[C@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14022 CN1Cc2cncn2Cc2ccc(C#N)c(Oc3ccc4CC[C@@H](N5CC[C@@H]1C5=O)c4c3)c2 |r|
14023 O=C1[C@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14024 O=C1[C@@H]2CCN1[C@@H]1CCCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14025 O=C1[C@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14026 O=C1[C@@H]2CCN1[C@@H]1CCOc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13 |r|
14027 O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
14028 C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
14029 [H][C@@]1(CC[C@@]([H])(CC1)C(=O)Nc1ccncc1)[C@@H](C)N |r,wU:4.4,1.18,17.20,wD:4.8,1.0,(1.92,.41,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-1.61,2.22,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,;2.6,-.86,;3.37,.47,;3.37,-2.2,)|
14030 [H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
14031 O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
14032 CCn1c(nc2cnccc12)-c1nonc1N
14033 CCn1c(nc2cnc(OC)cc12)-c1nonc1N
14034 CCn1c(nc2cnc(Oc3ccccc3)cc12)-c1nonc1N
14035 CCn1c(nc2cnc(Oc3cccc(NC(C)=O)c3)cc12)-c1nonc1N
14036 CCn1c(nc2cnc(Oc3ccc(NC(C)=O)cc3)cc12)-c1nonc1N
14037 CCn1c(nc2cnc(Oc3cccc(c3)C(C)=O)cc12)-c1nonc1N
14038 CCn1c(nc2cnc(Oc3cccc(c3)S(C)(=O)=O)cc12)-c1nonc1N
14039 CCn1c(nc2cnc(Oc3cccc(N)c3)cc12)-c1nonc1N
14040 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc12)-c1nonc1N
14041 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N
14042 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N
14043 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc12)-c1nonc1N
14044 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc12)-c1nonc1N
14045 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc12)-c1nonc1N
14046 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc12)-c1nonc1N
14047 CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
14048 CC1=NC(=O)NC(C1C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(F)cc1 |t:1|
14049 CC1=C(C(CC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
14050 CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
14051 CC1=C(C(CC(=O)N1)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
14052 CC1=C(C(CC(=O)N1)c1ccc2ccccc2c1)C(=O)Nc1ccc2[nH]ncc2c1 |t:1|
14053 Cc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(cc3)C(F)(F)F)cc12 |c:11|
14054 CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1F |t:1|
14055 CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F |t:1|
14056 CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c2[nH]ncc2c1 |t:1|
14057 O=C1[C@H](CCN1Cc1cc2ccncc2[nH]1)NS(=O)(=O)c1cc2ncccc2s1 |r|
14058 Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r|
14059 NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |r|
14060 Ic1ccc2CCNCc2c1
14061 Clc1ccc2CCCNCc2c1Cl
14062 Clc1cccc(Cl)c1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
14063 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14064 CC(NC(=O)C(N)CC1CCC(O)CC1)C(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(-2.35,2.49,;-1.58,3.83,;-2.35,5.16,;-3.89,5.16,;-4.66,6.49,;-4.66,3.83,;-6.2,3.83,;-3.88,2.49,;-4.65,1.16,;-6.2,1.16,;-6.97,-.17,;-6.2,-1.51,;-6.97,-2.84,;-4.65,-1.51,;-3.88,-.17,;-.04,3.83,;.73,5.16,;.73,2.49,;2.27,2.49,;3.04,1.16,;2.27,-.17,;3.04,-1.51,;2.27,-2.84,;3.04,-4.18,;2.27,-5.51,;4.58,-4.18,;3.04,3.83,;2.27,5.16,;4.58,3.83,;5.35,5.16,;4.58,6.49,;5.35,7.83,;6.9,7.83,;7.67,6.49,;6.9,5.16,;7.67,9.16,;9.21,9.16,;6.9,10.49,)|
14065 [#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14066 [#6]-[#7]-[#6@H](-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14067 [#6]-[#7]-[#6@H](-[#6]-c1c(F)c(F)c(F)c(F)c1F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14068 [#6]-[#7]-[#6@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14069 [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14070 [#6]-[#6]S(=O)(=O)[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14071 [#6]C([#7])([#6]-c1ccccc1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14072 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]-[#6](-[#8])=O)-[#6](=O)-c1nc2ccccc2s1 |r|
14073 [#6]-[#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14074 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
14075 [#6]-[#7]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-c1ccccc1 |r|
14076 [#6]-[#7]-[#6@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14077 [#6]-[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14078 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C([#7])(c1ccccc1)c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r|
14079 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)C1([#8])c2ccccc2-c2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r|
14080 [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14081 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-c1nc2ccccc2s1
14082 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6]=O)-[#6](=O)-c1nc2ccccc2s1
14083 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-c1nc2ccccc2s1
14084 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-c1nc2ccccc2s1 |r|
14085 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14086 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14087 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14088 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7][C@@]([#6])([#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])[#6](=O)-c1nc2ccccc2s1 |r|
14089 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14090 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14091 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
14092 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
14093 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
14094 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
14095 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[C@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
14096 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C[C@H]1CCCN(C1)C(N)=N)C(=O)c1nc2ccccc2s1 |r|
14097 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2s1 |r|
14098 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)C(=O)c1nc2ccccc2s1 |r|
14099 CNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
14100 CNCCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
14101 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CC[C@H](CN)CC1)C(=O)c1nc2ccccc2s1 |r,wU:16.18,2.1,24.26,wD:20.21,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;3.51,-.65,;3.51,-2.19,;4.84,-2.96,;4.84,.12,;4.84,1.66,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.65,4.41,;8.53,3.15,;10.06,2.96,;10.66,1.54,;9.73,.31,;8.2,.5,;7.6,1.92,;6.15,2.43,)|
14102 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](CN)CC1)C(=O)c1nc2ccccc2s1 |r,wU:20.21,16.18,2.1,wD:24.26,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;4.84,1.66,;4.84,.12,;3.51,-.65,;3.51,-2.19,;4.84,-2.96,;2.18,.12,;2.18,1.66,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.65,4.41,;8.53,3.15,;10.06,2.96,;10.66,1.54,;9.73,.31,;8.2,.5,;7.6,1.92,;6.15,2.43,)|
14103 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCOC)C(=O)c1nc2ccccc2s1 |r|
14104 CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC)C(=O)c1nc2ccccc2s1 |r|
14105 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2s1 |r|
14106 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-c1nc2ccccc2s1 |r|
14107 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-c1nc2ccccc2s1 |r|
14108 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])-c1nc2ccccc2s1 |r|
14110 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1ccccn1 |r|
14111 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1cc2ccccc2s1 |r|
14112 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccn1-[#6] |r|
14113 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2[nH]1 |r,wU:16.18,2.1,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;.84,-.65,;.84,-2.19,;2.18,-2.96,;-.49,-2.96,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.42,4.87,;8.67,3.97,;10.18,4.29,;11.21,3.14,;10.73,1.68,;9.22,1.36,;8.19,2.5,;6.65,2.5,)|
14114 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2n1-[#6] |r|
14115 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 |r|
14116 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)C(=O)c1nc2ccccc2c(=O)[nH]1 |r,wU:16.18,2.1,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;3.51,2.43,;2.18,1.66,;2.18,.12,;.84,-.65,;.84,-2.19,;2.18,-2.96,;-.49,-2.96,;4.84,4.74,;4.84,6.28,;6.18,3.97,;7.51,4.74,;8.85,3.97,;10.18,4.74,;11.51,3.97,;11.51,2.43,;10.18,1.66,;8.85,2.43,;7.51,1.66,;7.51,.12,;6.18,2.43,)|
14117 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r|
14118 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc(cs1)-[#6](-[#8])=O |r|
14119 [#6]-[#6]-[#8]-[#6](=O)-c1csc(n1)-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6] |r|
14120 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc(cs1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
14121 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2-[#6]-[#6]-[#6]-[#6]-c2s1 |r|
14122 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc3ccccc3c2s1 |r|
14123 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8]-[#6])cc2s1 |r|
14124 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#8])cc2s1 |r|
14125 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(F)cc2s1 |r|
14126 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(-[#6]-[#8])cc2s1 |r|
14127 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#7])=O |r|
14128 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](=O)-[#8]-[#6] |r|
14129 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccc(cc2s1)-[#6](-[#8])=O |r|
14130 [#6]-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
14131 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](N)CC1)C(=O)c1nc2ccccc2s1 |r,wU:16.18,2.1,20.21,wD:24.26,(13.45,-1.07,;14.78,-.3,;16.11,-1.07,;16.11,-2.61,;14.78,-3.38,;13.45,-2.61,;12.11,-3.38,;12.11,-4.92,;13.45,-5.69,;14.78,-4.92,;17.45,-.3,;17.45,1.24,;18.78,-1.07,;18.78,.47,;20.12,1.24,;21.09,.27,;20.32,-1.07,;21.09,-2.4,;20.32,-3.73,;22.63,-2.4,;23.97,-3.17,;23.97,-4.71,;25.3,-5.48,;25.3,-7.02,;23.97,-7.79,;23.97,-9.9,;22.63,-7.02,;22.63,-5.48,;25.3,-2.4,;25.3,-.86,;26.63,-3.17,;27.88,-2.26,;29.12,-3.17,;30.63,-2.85,;31.66,-3.99,;31.18,-5.46,;29.68,-5.78,;28.65,-4.63,;27.11,-4.63,)|
14132 CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CC[C@H](N)CC1)C(=O)c1nc2ccccc2s1 |r,wU:20.22,6.5,24.25,wD:28.30,(3.76,9.7,;4.53,11.04,;6.07,11.04,;6.07,12.58,;6.07,9.5,;7.61,11.04,;8.94,10.27,;8.94,8.73,;7.61,7.96,;6.27,8.73,;4.94,7.96,;4.94,6.42,;6.27,5.65,;7.61,6.42,;10.27,11.04,;10.27,12.58,;11.61,10.27,;11.61,11.81,;12.94,12.58,;13.92,11.6,;13.15,10.27,;13.92,8.93,;13.15,7.6,;15.46,8.93,;16.79,8.16,;16.79,6.62,;18.12,5.85,;18.12,4.31,;16.79,3.54,;16.79,2,;15.46,4.31,;15.46,5.85,;18.12,8.93,;18.12,10.47,;19.46,8.16,;20.7,9.07,;21.95,8.16,;23.46,8.48,;24.49,7.34,;24.01,5.87,;22.5,5.55,;21.47,6.7,;19.93,6.7,)|
14133 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)c1nc2ccccc2s1)C1CC[C@H](N)CC1 |r,wU:16.18,2.1,36.40,wD:20.21,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;4.84,4.74,;6.18,3.97,;6.18,2.43,;7.51,4.74,;7.04,6.2,;8.28,7.11,;8.44,8.64,;9.85,9.26,;11.1,8.36,;10.93,6.83,;9.53,6.2,;9.05,4.74,;3.51,2.43,;2.18,1.66,;2.18,.12,;3.51,-.65,;3.51,-2.19,;4.84,.12,;4.84,1.66,)|
14134 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)c1nc2ccccc2s1)C1CC[C@H](N)CC1 |r,wU:20.21,16.18,2.1,wD:36.40,(-7.01,6.07,;-5.67,6.84,;-4.34,6.07,;-4.34,4.53,;-5.67,3.76,;-7.01,4.53,;-8.34,3.76,;-8.34,2.22,;-7.01,1.45,;-5.67,2.22,;-3.01,6.84,;-3.01,8.38,;-1.67,6.07,;-1.67,7.61,;-.34,8.38,;.64,7.4,;-.13,6.07,;.64,4.74,;-.13,3.4,;2.18,4.74,;3.51,3.97,;4.84,4.74,;6.18,3.97,;6.18,2.43,;7.51,4.74,;7.04,6.2,;8.28,7.11,;8.44,8.64,;9.85,9.26,;11.1,8.36,;10.93,6.83,;9.53,6.2,;9.05,4.74,;3.51,2.43,;4.84,1.66,;4.84,.12,;3.51,-.65,;3.51,-2.19,;2.18,.12,;2.18,1.66,)|
14135 [#6]-c1cccc(c1)C([#6])([#6])[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1)-[#6](=O)-[#6]-[#6]-c1ccccc1 |r|
14136 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)[#6]-c2ccccc2)-[#6]-1=O)-[#6](=O)-c1nc2ccccc2s1 |r|
14137 [#6]-[#6]-[#6]-[#6](-[#6]-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](=O)-[#8]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14138 [#6]S(=O)(=O)[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14139 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-c1nc2ccccc2s1 |r|
14140 [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
14142 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1[O-]
14143 NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1O
14144 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(OC2CCCC2)c1[O-]
14145 CC(C)COc1cccc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-]
14146 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(Cl)c1O
14147 NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O
14148 CC(C)COc1cccc(-c2nc3cc(F)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
14149 C[C@H]1CCCC[C@@H]1Oc1cccc(-c2cc3cc(C(N)=N)c(F)cc3[nH]2)c1O |r|
14150 NC(=[NH2+])c1cc2cc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1O
14151 NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cc(Cl)cc(Cl)c1O
14152 NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(-c2ccccc2)c1O
14153 NC(=[NH2+])c1cc2[nH]c(nc2cc1Cl)-c1cccc(-c2ccccc2)c1[O-]
14154 CC(C)COc1cccc(-c2nc3cc(Cl)c(cc3[nH]2)C(N)=[NH2+])c1[O-]
14155 NC(=N)c1ccc(NC(=O)c2ccccc2O)cc1
14156 Cc1cc(Br)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
14157 Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(cc1)C(N)=N
14158 Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(F)c1
14159 Cc1cc(I)c(O)c(c1)C(=O)Nc1ccc(C(N)=N)c(Cl)c1
14160 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CCC(N)(C3)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
14161 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(Nc3ccccc3C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
14162 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N(CCO)CC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:29:2.3|
14163 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:27:2.4.3|
14164 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:25:2.4.3|
14165 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(CC1)C(C)C |r,wU:7.10,1.0,wD:4.4,7.7,TLB:10:7:24:2.3,(-2.68,-3.07,;-1.35,-2.3,;-.58,-.97,;1.3,-1.91,;-.19,-2.3,;.9,-3.39,;-1.42,-1.37,;-2,.05,;-.67,.82,;-2.57,-1.37,;-2,1.59,;-3.33,2.36,;-4.67,1.59,;-6,2.36,;-6,3.9,;-4.67,4.67,;-3.33,3.9,;-2,4.67,;-.67,3.9,;.67,4.67,;2,3.9,;.67,6.21,;-.67,2.36,;.67,1.59,;-.76,-3.73,;-.76,-5.27,;-2.09,-6.04,;-2.09,-7.58,;-.76,-8.35,;.57,-7.58,;.57,-6.04,;-.76,-9.89,;-1.85,-10.98,;.33,-10.98,)|
14166 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(CC1)C(C)(C)C |r,wU:7.10,1.0,wD:4.4,7.7,TLB:10:7:24:2.3,(-2.68,-3.07,;-1.35,-2.3,;-.58,-.97,;1.3,-1.91,;-.19,-2.3,;.9,-3.39,;-1.42,-1.37,;-2,.05,;-.67,.82,;-2.57,-1.37,;-2,1.59,;-3.33,2.36,;-4.67,1.59,;-6,2.36,;-6,3.9,;-4.67,4.67,;-3.33,3.9,;-2,4.67,;-.67,3.9,;.67,4.67,;2,3.9,;.67,6.21,;-.67,2.36,;.67,1.59,;-.76,-3.73,;-.76,-5.27,;-2.09,-6.04,;-2.09,-7.58,;-.76,-8.35,;.57,-7.58,;.57,-6.04,;-.76,-9.89,;-1.85,-10.98,;.33,-10.98,;-.76,-11.43,)|
14169 NC(=[NH2+])c1cc2c(I)cccc2s1
14170 NC(=[NH2+])c1cc2ccccc2s1
14171 NC(=[NH2+])c1cc2cccnc2s1
14173 O=C1NCc2c-3c(Cc4ccccc-34)c3[nH]c4ccccc4c3c12
14174 O=C1NCc2c1c1c([nH]c3ccccc13)c1CCc3ccccc3-c21
14175 O=C1NCc2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
14176 O=C1NCc2c1c1c3ccccc3[nH]c1c1oc3ccccc3c21
14177 O=C1NCc2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
14178 O=C1NCc2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
14179 O=C1NCc2c1c1c3ccccc3sc1c1[nH]c3ccccc3c21
14180 O=C1NCc2c1c1c3ccccc3oc1c1[nH]c3ccccc3c21
14181 O=C1NCc2c1c-1c(Cc3ccccc-13)c1Cc3ccccc3-c21
14182 O=C1NCc2c1c1c3ccccc3sc1c1sc3ccccc3c21
14183 O=C1NCc2c1c-1c(Cc3ccccc-13)c1sc3ccccc3c21
14184 O=C1NCc2c-3c(Cc4ccccc-34)c3sc4ccccc4c3c12
14185 O=C1NC(=O)c2c1c-1c(Cc3ccccc-13)c1[nH]c3ccccc3c21
14186 O=C1NC(=O)c2c1c-1c(CCc3ccccc-13)c1[nH]c3ccccc3c21
14187 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3ccccc3c21
14188 O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1sc3ccccc3c21
14189 CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
14190 C1CCC(CC1)n1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc12
14191 COCCN1CCN(CC1)Nc1ncc2ccn(C3CCCCC3)c2n1
14192 OC(=O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
14193 O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(C4CCCCC4)c3n2)cc1
14194 CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4CC5CCC4C5)c3n2)cc1 |THB:18:19:25:23.22|
14195 COc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
14196 CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc1
14197 CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)cc1
14198 CN1CCN(CC1)c1ccc(Nc2ncc3ccn(C4Cc5ccccc5C4)c3n2)cc1
14199 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccnc4)c3n2)c1
14200 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)S(C)(=O)=O)c3n2)c1
14201 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccc4)c3n2)c1
14202 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C#N)c3n2)c1
14203 COc1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
14204 CC(C)c1cccc(c1)-n1ccc2cnc(Nc3cccc(c3)N3CCN(C)CC3)nc12
14205 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(N)=O)c3n2)c1
14206 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4cccc(c4)C(=O)NC4CCCC4)c3n2)c1
14207 CN1CCN(CC1)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
14208 OC(=O)c1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1
14209 O=S1(=O)CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1
14210 COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
14211 OC(=O)COc1c(sc2ncccc12)C(O)=O
14212 OC(=O)COc1cc2ccccc2cc1C(O)=O
14213 OC(=O)COc1c(oc2ncccc12)C(O)=O
14214 OC(=O)COc1c(sc2ccccc12)C(O)=O
14215 Cc1cc2sc(C(O)=O)c(OCC(O)=O)c2cn1
14216 OC(=O)COc1c(sc2cccnc12)C(O)=O
14217 OC(=O)COc1c(sc2ccsc12)C(O)=O
14218 OC(=O)COc1c(sc2cc(Cl)ccc12)C(O)=O
14219 CC(Oc1c(sc2cc(Cl)ccc12)C(O)=O)C(O)=O
14220 OC(=O)C(F)Oc1c(sc2cc(Cl)ccc12)C(O)=O
14221 OC(=O)COc1c(sc2cc(Br)ccc12)C(O)=O
14222 OC(=O)COc1c(sc2cc(ccc12)-c1ccccc1)C(O)=O
14223 OC(=O)COc1c(sc2cc(ccc12)-c1ccc(O)cc1)C(O)=O
14224 OC(=O)COc1c(sc2cc(ccc12)-c1cccs1)C(O)=O
14225 OC(=O)COc1c(sc2cc(ccc12)C(=O)Nc1ccn(n1)-c1ccccc1)C(O)=O
14226 OC(=O)COc1c(sc2c(Cl)cccc12)C(O)=O
14227 Cc1cccc2c(OCC(O)=O)c(sc12)C(O)=O
14228 OC(=O)COc1c(sc2c1ccc1ccccc21)C(O)=O
14229 OC(=O)COc1c(sc2c1cnc1ccccc21)C(O)=O
14230 OC(=O)COc1c(sc2c1sc1ccccc21)C(O)=O
14231 OC(=O)COc1c(sc2c1sc1c(Cl)cccc21)C(O)=O
14232 OC(=O)COc1c(sc2c1sc1cc(Cl)ccc21)C(O)=O
14233 OC(=O)COc1c(sc2c1sc1c(NCC3CCCCC3)cccc21)C(O)=O
14234 OC(=O)COc1c(sc2c1sc1cc(NCC3CCCCC3)ccc21)C(O)=O
14235 OC(=O)COc1c(sc2c1sc1c(NC3CCCCC3)cccc21)C(O)=O
14236 OC(=O)COc1c(sc2c1sc1cc(NC3CCCCC3)ccc21)C(O)=O
14237 OC(=O)COc1c(sc2c3ccc(NC4CCOCC4)cc3sc12)C(O)=O
14238 CCS(=O)(=O)N1CCC(CC1)Nc1ccc2c(c1)sc1c(OCC(O)=O)c(sc21)C(O)=O
14239 OC(=O)COc1c(sc2c1sc1cc(NC3CCN(CC3)S(=O)(=O)Cc3ccccc3)ccc21)C(O)=O
14240 OC(=O)COc1c(Br)csc1C(O)=O
14241 OC(=O)COc1ccsc1C(O)=O
14242 Cc1csc(C(O)=O)c1OCC(O)=O
14243 OC(=O)COc1c(scc1-c1ccccc1)C(O)=O
14244 OC(=O)COc1c(Br)c(Br)sc1C(O)=O
14245 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccccc1
14246 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccsc1
14247 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccnc1
14248 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2ccccc2c1
14249 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2ccoc2c1
14250 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(O)cc1
14251 COc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14252 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1cccc(O)c1
14253 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc2cc[nH]c2c1
14254 Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14255 CN(C)c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14256 CC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14257 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2ccco2)cc1
14258 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2cccnc2)cc1
14259 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)c2ccccc2)cc1
14260 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(cc1)C(=O)Nc1ccccc1
14261 CS(=O)(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14262 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
14263 CN(c1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br)S(=O)(=O)c1ccc(cc1)C(F)(F)F
14264 COC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14265 CC(C)NC(=O)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14266 CC1(C)CC(CC(C)(C)C1)Nc1ccc(cc1)-c1sc(C(O)=O)c(OCC(O)=O)c1Br
14267 OC(=O)COc1c(Br)c(sc1C(O)=O)-c1ccc(NC(=O)CC(O)=O)cc1
14268 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1 |r|
14269 Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)NS1(=O)=O |r|
14270 O=C1CC(c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
14271 O=C1C[C@H](c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
14273 FC(F)(F)c1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
14274 FC(F)(F)c1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
14275 FC(F)(F)c1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
14276 Fc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
14277 Fc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
14278 Fc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
14279 Clc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
14280 Clc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
14281 Clc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
14282 COc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
14283 COc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
14284 O=C1CC(c2ccc(C[C@H](Nc3nc4ccc(cc4s3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
14285 O=C1CC(c2ccc(C[C@H](Nc3nc4cc(ccc4s3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1 |r|
14286 Brc1ccc2nc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)sc2c1 |r|
14287 Brc1ccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc2c1 |r|
14288 Brc1cccc2sc(N[C@@H](Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)c3nc4ccccc4[nH]3)nc12 |r|
14289 FC(F)(F)c1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1 |r|
14290 Clc1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1 |r|
14291 O=C1CC(c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccc(cc4[nH]3)C#N)cc2)S(=O)(=O)N1 |r|
14292 Fc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
14293 Clc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
14294 Brc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
14295 O=C1CC(c2ccc(C[C@H](Nc3nc4ccccc4s3)c3nc4ccccc4[nH]3)cc2C#N)S(=O)(=O)N1 |r|
14296 Cc1cc(C[C@H](Nc2nc3ccccc3s2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)NS1(=O)=O |r|
14297 NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 |r|
14299 O=C(N[C@@H](Cc1cc2cnccc2[nH]1)C(=O)c1nc2ccccc2s1)OCc1ccccc1 |r|
14300 NCCCCC(=NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 |w:6.6|
14301 O=C(N[C@@H](Cc1cc2ccncc2[nH]1)C(=O)c1nc2ccccc2s1)OCc1ccccc1 |r|
14302 Nc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)cn1 |r|
14303 N[C@@H]1CCN(C[C@H](NC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)C1 |r|
14304 Nc1n[nH]c2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)c3nc4ccccc4s3)cc12 |r|
14305 Clc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)c2nc3ccccc3s2)cn1 |r|
14306 [H][C@]12COC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:27:2.4.3|
14307 NCCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1 |r|
14308 Nc1nc2ccc(CC(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc3ccccc3)C(=O)c3nc4ccccc4s3)cc2[nH]1 |r|
14309 CC(=O)NC(Cc1ccc2nc(N)[nH]c2c1)C(=O)c1nc2ccccc2s1
14310 Nc1nc2ccc(CCC(=O)c3nc4ccccc4s3)cc2[nH]1
14311 NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14312 CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14313 Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNCC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14314 C=CCOC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14315 COC(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14316 CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14317 Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CCNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14318 Fc1ccc(cc1F)C(=O)N[C@@H](CCC1CNC1)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1 |r|
14319 Cn1c(N)nc2ccccc12
14320 Nc1nccc2ccccc12
14321 Oc1ccnc2ccccc12
14322 Nc1ccc2ccccc2n1
14323 Nc1nc(N)c2ccccc2n1
14324 Cc1cc2nc(N)[nH]c2cc1C
14325 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cccc(-c2ccccc2)c1[O-]
14326 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[N+]([O-])=O
14327 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1ccccc1[O-]
14328 [H][C@]12COC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:11:8:25:2.4.3|
14329 Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
14330 Cc1cc(Br)c([O-])c(c1)-c1cc2cc(ccc2[nH]1)C(N)=[NH2+]
14331 Cc1cc(Br)c([O-])c(c1)-c1nc2ccc(cc2[nH]1)C(N)=[NH2+]
14332 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cccc(OC2CCCC2)c1[O-]
14333 NC(=[NH2+])c1cc2nc([nH]c2cc1F)-c1cccc(-c2ccccc2)c1[O-]
14334 NC(=[NH2+])c1cc2cc([nH]c2cc1Cl)-c1cccc(OC2CCCC2)c1[O-]
14335 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1[O-]
14337 COc1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
14338 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(-c2ccccc2)c1[O-])[N+]([O-])=O
14339 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(Br)c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|
14340 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|
14341 COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|
14342 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1F)[C@@H](CC([O-])=O)C([O-])=O |r|
14343 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(ccc1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|
14344 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1[N+]([O-])=O)[C@@H](CC([O-])=O)C([O-])=O |r|
14345 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(cc(c1[O-])-c1ccccc1N)[C@@H](CC([O-])=O)C([O-])=O |r|
14346 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|
14347 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(F)ccc1O
14348 Cc1cc(Cl)c([O-])c(c1)-c1cc2cc(ccc2[nH]1)C(N)=[NH2+]
14349 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(CC(O)=O)cc(Br)c1[O-]
14350 C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c1[O-] |r|
14351 COc1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
14352 CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1
14353 CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(F)cc3[nH]2)c([O-])c(c1)-c1ccccc1
14354 CN(C)C(=O)c1cc(-c2cc3cc(ccc3[nH]2)C(N)=[NH2+])c([O-])c(c1)-c1ccccc1
14355 Cc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=[NH2+])c1[O-])[C@@H](CC([O-])=O)C([O-])=O |r|
14356 NC(=[NH2+])c1ccc2[nH]c(cc2c1)-c1cc(cc(c1[O-])-c1ccccc1)[C@@H](CC([O-])=O)C([O-])=O |r|
14357 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(OC(F)(F)F)ccc1[O-]
14358 NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1cc(CC[NH3+])cc(-c2ccccc2)c1[O-]
14359 OC(c1cnc(s1)[C@@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
14360 OC(c1cnc(s1)[C@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
14361 COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
14362 CC1CC(=O)NN=C1c1ccc(cc1)-n1ccnc1 |c:6|
14363 CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
14364 CCNc1ncn(Cc2ccc(OC)c(OC3CCCC3)c2)c2nc(nc12)C(C)C
14365 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2)cc1OC1CCCC1
14366 COc1ccccc1COC(C)(C)c1nc2c(N)ncn(Cc3ccc(OC)c(OC4CCCC4)c3)c2n1
14367 COc1cccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)c1
14368 COc1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1
14369 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(C)cc2)cc1OC1CCCC1
14370 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)cc2)cc1OC1CCCC1
14371 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2F)cc1OC1CCCC1
14372 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2cccc(F)c2)cc1OC1CCCC1
14373 COc1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1OC
14374 COc1cc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc(OC)c1
14375 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(F)c(F)c2)cc1OC1CCCC1
14376 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc3OCOc3c2)cc1OC1CCCC1
14377 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C#N)cc1OC1CCCC1
14378 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)c(Cl)c2)cc1OC1CCCC1
14379 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(C)(C)C)cc1OC1CCCC1
14380 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(OC(F)(F)F)cc2)cc1OC1CCCC1
14381 COC(=O)c1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1
14382 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(N)=O)cc1OC1CCCC1
14383 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C([O-])=O)cc1OC1CCCC1
14384 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(F)(F)F)cc1OC1CCCC1
14385 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2cccs2)cc1OC1CCCC1
14386 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2ccsc2)cc1OC1CCCC1
14387 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccccc2)cc1OC1CCCC1
14388 COc1ccc(COC(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1
14389 COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)OCc2ccc(F)cc2)cc1OC1CCCC1
14390 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
14391 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O
14392 CCN1CCN(CC1)S(=O)(=O)c1cnc(OCCOC)c(c1)-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1
14393 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)=O
14394 CCCCOc1ncc(cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1)C(C)=O
14395 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)O
14396 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCOCC1
14397 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(C)=O
14398 CCCOc1ncc(cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1)C(C)=O
14399 CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CNC1)C(C)=O
14400 CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C)C1)C(C)=O
14401 CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(CC)C1)C(C)=O
14402 CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C1)C(C)C)C(C)=O
14403 CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCNCC1)C(C)=O
14404 CCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(C)CC1)C(C)=O
14406 CCc1n(nc2c1nc([nH]c2=O)-c1cc(cnc1OCC(C)C)C(C)=O)C1CN(C)C1
14407 CCCCOc1ncc(cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1)C(C)=O
14408 CCCCOc1ncc(cc1-c1nc2c(CC)n(Cc3nccn3C)nc2c(=O)[nH]1)C(C)=O
14409 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CNC1)C(C)=O
14410 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CN(C)C1)C(C)=O
14411 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCNCC1)C(C)=O
14412 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(C)CC1)C(C)=O
14413 CCCCOc1ncc(cc1-c1nc2c(CC)n(nc2c(=O)[nH]1)C1CCN(CC)CC1)C(C)=O
14414 CCc1n(CCN2CCOCC2)nc2c1nc([nH]c2=O)-c1cc(cnc1OCCOC)C(C)=O
14415 CCCOc1ncc(cc1-c1nc2c(CCC)n(nc2c(=O)[nH]1)C1CNC1)C(C)=O
14416 CCCOc1ncc(cc1-c1nc2c(CCC)n(nc2c(=O)[nH]1)C1CN(C)C1)C(C)=O
14417 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)n(-c3cccc(Cl)c3)c2c1
14418 Cn1cncc1C(O)(c1ccc(I)cc1)c1ccc2n(C)c(=O)n(-c3cccc(Cl)c3)c2c1
14419 Cn1cncc1C(O)(c1ccc(cc1)C#N)c1ccc2n(C)c(=O)n(-c3cccc(Cl)c3)c2c1
14420 COc1cccc(c1)-n1c2cc(ccc2n(C)c1=O)C(O)(c1cncn1C)c1ccc(Cl)cc1
14421 COc1cccc(c1)-n1c2cc(ccc2n(C)c1=O)C(O)(c1cncn1C)c1ccc(cc1)C#N
14422 CCOc1cccc(c1)-n1c2cc(ccc2n(C)c1=O)C(O)(c1cncn1C)c1ccc(Cl)cc1
14423 CCOc1cccc(c1)-n1c2cc(ccc2n(C)c1=O)C(O)(c1cncn1C)c1ccc(cc1)C#N
14424 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)n(-c3ccc4OCOc4c3)c2c1
14425 Cn1cncc1C(O)(c1ccc(cc1)C#N)c1ccc2n(C)c(=O)n(-c3ccc4OCOc4c3)c2c1
14426 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)n(-c3ccc4ccccc4c3)c2c1
14427 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)n(Cc3cccc(Cl)c3)c2c1
14428 Cn1cncc1C(O)(c1ccc(I)cc1)c1ccc2n(C)c(=O)n(Cc3cccc(Cl)c3)c2c1
14429 Cn1cncc1C(O)(c1ccc(cc1)C#N)c1ccc2n(C)c(=O)n(Cc3cccc(Cl)c3)c2c1
14430 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1
14431 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2ccn(-c3cccc4ccccc34)c2c1
14432 Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2n(-c3cccc(Cl)c3)c(=O)n(C)c2c1
14433 NC(=O)N1CCC(CC(=O)N2CCC(CC2)C2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1
14434 Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
14435 Cn1c2ccc(cc2c(cc1=O)-c1cccc(Cl)c1)C(O)c1cncn1Cc1ccc(cc1)C#N
14436 Cn1c2ccc(cc2c(cc1=O)-c1cccc(Cl)c1)C(=O)c1cncn1Cc1ccc(cc1)C#N
14437 Cn1c2ccc(cc2c(cc1=O)-c1cccc(Cl)c1)C(N)c1cncn1Cc1ccc(cc1)C#N
14438 Cn1c2ccc(cc2c(cc1=O)-c1cccc(Cl)c1)C(NC=O)c1cncn1Cc1ccc(cc1)C#N
14439 Cn1c2ccc(Cn3cncc3Cc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14440 Cn1c2ncc(Cn3cncc3Cc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14441 Cn1c2ccc(COCc3cncn3Cc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14442 Cn1cncc1C(OCc1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1)c1ccc(cc1)C#N
14443 CC(=O)OC(c1cncn1Cc1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1)c1ccc(cc1)C#N
14444 Cn1c2ccc(Cn3cncc3C(O)c3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14445 Cn1c2ccc(Cn3cncc3COc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14446 Cn1c2ccc(Cn3cncc3COCc3ccc(cc3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14447 Cn1c2ccc(Cn3cncc3Cn3ccc(=O)cc3)cc2c(cc1=O)-c1cccc(Cl)c1
14448 Cn1c2ccc(Cn3cncc3Cn3ccc(c3)C#N)cc2c(cc1=O)-c1cccc(Cl)c1
14449 Cn1c2ccc(Cn3cncc3Cn3ccc(c3)C(=O)N3CCOCC3)cc2c(cc1=O)-c1cccc(Cl)c1
14450 N#Cc1cn(Cc2cncn2Cc2ccc(cc2)C#N)cc1-c1cccc2ccccc12
14451 N#Cc1cn(Cc2cncn2Cc2ccc3OCOc3c2)cc1-c1cccc2ccccc12
14452 N#Cc1ccc(Cn2cncc2Cn2ccc3cc(ccc23)-c2cccc3ccccc23)cc1
14453 N#Cc1ccc(Cn2cncc2Cn2ccc3c(C#N)c(ccc23)-c2cccc3ccccc23)cc1
14454 Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccncc2)c1
14455 [#8-]-[n+]1ccc(-[#6]-[#6](=O)-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2/c3ccc(Cl)cc3-[#6]-[#6]-c3cc(Br)cnc-23)cc1
14456 NC(=O)N1CCC(CC(=O)N2CCN(CC2)C2c3ccc(Cl)cc3CCc3cc(Br)cnc23)CC1
14457 [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
14458 [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
14459 NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
14460 NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
14461 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
14462 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)cc1 |r|
14463 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Cl)c23)cc1 |r|
14464 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Cl)c23)cc1 |r|
14465 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(F)c23)cc1 |r|
14466 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(F)c23)cc1 |r|
14467 NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
14468 NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c23)CC1 |r|
14469 [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)cc1 |r|
14470 [O-][n+]1ccc(CC(=O)N2CCC(CC2)[C@@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)cc1 |r|
14471 NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r|
14472 NC(=O)N1CCC(CC(=O)N2CCC(CC2)[C@@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r|
14473 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)cc1 |r|
14474 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)cc1 |r|
14475 [O-][n+]1ccc(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)c(Cl)c3CCc3cc(Br)cnc23)cc1 |r|
14476 [O-][n+]1ccc(CC(=O)N2CCN(CC2)C2c3ccc(Cl)c(F)c3CCc3cc(Br)cnc23)cc1
14477 NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r|
14478 NC(=O)N1CCC(CC(=O)N2CCN(CC2)[C@@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc23)CC1 |r|
14479 [#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3cc2-[#8])cn1
14480 [#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3cc2-[#8])cc1
14481 [#7]\[#6](-[#7])=[#7+]/c1ccc(-[#7]-[#6](=O)-c2cc3ccccc3c(-[#8])c2-[#8])cn1
14482 Nc1[nH]c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2[nH+]1
14483 Nc1[nH]c2ccc(NC(=O)c3cccc(-c4ccccc4)c3O)cc2[nH+]1
14486 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(I)c2c(N)ncnc12 |r|
14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
14488 CN(C)c1ccc(cc1)-c1c(N)ncnc1C#Cc1ccc(nc1)N1CCOCC1
14489 CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccccc1
14490 CN(C)c1ccc(cc1)C#Cc1nc(C)nc(N)c1-c1ccccc1
14491 CN(C)c1ccc(cc1)C#Cc1ncnc(N)c1-c1ccc2OCOc2c1
14492 Nc1cc(ncn1)C#Cc1ccc(nc1)N1CCOCC1
14493 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1Cc1ccccc1
14494 Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1ccccc1
14495 CC(C)Nc1ccc(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14496 [#6]S(=O)(=O)[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O
14497 CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14498 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccccc2)cc1
14499 NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)cc1
14500 NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)nc1
14501 NC(=N)c1ccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)cn1
14502 NC(=N)c1ccc(CCNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)cc1
14503 NC(=N)c1cccc(CNC(=O)Cn2c(cnc(NCCc3ccccc3)c2=O)-c2ccccc2)c1
14504 Clc1nc(NCCc2ccccc2)c(=O)n(CC(=O)NCC2CCNCC2)c1-c1ccccc1
14505 Clc1nc(NCCc2ccccc2)c(=O)n(CC(=O)NCCc2ccncc2)c1-c1ccccc1
14506 Clc1nc(NCCc2ccccc2)c(=O)n(CC(=O)NCCCn2ccnc2)c1-c1ccccc1
14507 Cn1cnc(CCNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccccc2)c1
14508 Clc1nc(NCCc2ccccc2)c(=O)n(CC(=O)NCc2nc3ccccc3[nH]2)c1-c1ccccc1
14509 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(Nc3ccccc3)c2=O)-c2ccccc2)cc1
14510 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCc3ccccc3)c2=O)-c2ccccc2)cc1
14511 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCc3ccccc3)c2=O)-c2ccccc2)cc1
14512 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCCc3ccccc3)c2=O)-c2ccccc2)cc1
14513 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c2=O)-c2ccccc2)cc1
14514 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-c1nccs1 |r|
14515 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCc3ccc(Cl)cc3)c2=O)-c2ccccc2)cc1
14516 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCc3cc(F)ccc3F)c2=O)-c2ccccc2)cc1
14517 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCc3cc(F)cc(F)c3)c2=O)-c2ccccc2)cc1
14518 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3cccc(c3)C(F)(F)F)c2=O)-c2ccccc2)cc1
14519 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccc(Cl)cc3)c2=O)-c2ccccc2)cc1
14520 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3cccc(Cl)c3)c2=O)-c2ccccc2)cc1
14521 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(N3CCCC3)c2=O)-c2ccccc2)cc1
14522 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(N3CCC3)c2=O)-c2ccccc2)cc1
14523 CC(C)N(C)c1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14524 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(SCc3ccccc3)c2=O)-c2ccccc2)cc1
14525 CNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14526 CNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14527 CCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14528 CCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14529 CCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14530 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCC=C)c2=O)-c2ccccc2)cc1
14531 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCC#C)c2=O)-c2ccccc2)cc1
14532 CCCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14533 CCCCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14534 CC(C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14535 CC(C)Nc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14536 CCC(CC)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14537 CCC(CC)Nc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14538 CCCC(C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14539 CCCC(CCC)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14540 CCCCC(C)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14541 CCCCCC(CC)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14542 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2ccccc2)cc1
14543 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(N)c2)cc1
14544 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCS(=O)(=O)C3)c2=O)-c2ccccc2)cc1
14545 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCCCC3)c2=O)-c2ccccc2)cc1
14546 CC(C)(C)C1CCC(CC1)Nc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O |(-8.38,3.48,;-7.06,4.28,;-7.11,5.82,;-8.42,5.02,;-5.71,3.55,;-5.67,2.01,;-4.31,1.28,;-3,2.09,;-3.04,3.63,;-4.4,4.36,;-1.67,1.32,;-.33,2.09,;-.33,3.63,;1,4.4,;1,5.94,;2.34,3.63,;3.67,4.4,;5,3.63,;6.34,4.4,;6.34,5.94,;5,6.71,;3.67,5.94,;2.34,2.09,;3.67,1.32,;3.67,-.22,;2.34,-.99,;5,-.99,;6.34,-.22,;7.67,-.99,;9,-.22,;10.34,-.99,;10.34,-2.53,;9,-3.3,;7.67,-2.53,;11.67,-3.3,;13.01,-2.53,;11.67,-4.84,;1,1.32,;1,-.22,)|
14547 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC34CC5CC(CC(C5)C3)C4)c2=O)-c2ccccc2)cc1 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28|
14548 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCO)c2=O)-c2ccccc2)cc1
14549 COCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14550 COCCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14551 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCO)c2=O)-c2ccccc2)cc1
14552 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCO)c2=O)-c2cccc(N)c2)cc1
14553 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCCO)c2=O)-c2ccccc2)cc1
14554 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCCCCCO)c2=O)-c2ccccc2)cc1
14555 NCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14556 CN(C)CCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14557 CN(C)CCNc1nc(Cl)c(-c2cccc(N)c2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14558 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCN3CCOCC3)c2=O)-c2ccccc2)cc1
14559 NCCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14560 CN(C)CCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14561 NCCCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14562 Cc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14563 CCc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14564 NC(=N)c1ccc(CNC(=O)Cn2c(Cc3ccccc3)c(Cl)nc(NCCc3ccccc3)c2=O)cc1
14565 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccc(cc2)-c2ccccc2)cc1
14566 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccccc2Cl)cc1 |(13.01,-2.53,;11.67,-3.3,;11.67,-4.84,;10.34,-2.53,;10.34,-.99,;9,-.22,;7.67,-.99,;6.34,-.22,;5,-.99,;3.67,-.22,;2.34,-.99,;3.67,1.32,;2.34,2.09,;2.34,3.63,;1,4.4,;1,5.94,;-.33,3.63,;-.33,2.09,;-1.67,1.32,;-3,2.09,;-4.33,1.32,;-5.67,2.09,;-5.67,3.63,;-7,4.4,;-8.33,3.63,;-8.33,2.09,;-7,1.32,;1,1.32,;1,-.22,;3.67,4.4,;3.67,5.94,;5,6.71,;6.34,5.94,;6.34,4.4,;5,3.63,;5,2.09,;7.67,-2.53,;9,-3.3,)|
14567 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(Cl)c2)cc1
14568 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccc(Cl)cc2)cc1
14569 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccccc2F)cc1 |(13.01,-2.53,;11.67,-3.3,;11.67,-4.84,;10.34,-2.53,;10.34,-.99,;9,-.22,;7.67,-.99,;6.34,-.22,;5,-.99,;3.67,-.22,;2.34,-.99,;3.67,1.32,;2.34,2.09,;2.34,3.63,;1,4.4,;1,5.94,;-.33,3.63,;-.33,2.09,;-1.67,1.32,;-3,2.09,;-4.33,1.32,;-5.67,2.09,;-5.67,3.63,;-7,4.4,;-8.33,3.63,;-8.33,2.09,;-7,1.32,;1,1.32,;1,-.22,;3.67,4.4,;3.67,5.94,;5,6.71,;6.34,5.94,;6.34,4.4,;5,3.63,;5,2.09,;7.67,-2.53,;9,-3.3,)|
14570 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(F)c2)cc1
14571 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccc(F)cc2)cc1
14572 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccccc2C(F)(F)F)cc1 |(13.01,-2.53,;11.67,-3.3,;11.67,-4.84,;10.34,-2.53,;10.34,-.99,;9,-.22,;7.67,-.99,;6.34,-.22,;5,-.99,;3.67,-.22,;2.34,-.99,;3.67,1.32,;2.34,2.09,;2.34,3.63,;1,4.4,;1,5.94,;-.33,3.63,;-.33,2.09,;-1.67,1.32,;-3,2.09,;-4.33,1.32,;-5.67,2.09,;-5.67,3.63,;-7,4.4,;-8.33,3.63,;-8.33,2.09,;-7,1.32,;1,1.32,;1,-.22,;3.67,4.4,;2.9,5.73,;3.67,7.07,;5.21,7.07,;5.98,5.73,;5.21,4.4,;5.98,3.06,;7.31,3.83,;6.75,1.73,;4.65,2.29,;7.67,-2.53,;9,-3.3,)|
14573 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(c2)C(F)(F)F)cc1
14574 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2ccc(cc2)C(F)(F)F)cc1
14575 Cc1ccccc1-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N |(5,2.09,;5,3.63,;6.34,4.4,;6.34,5.94,;5,6.71,;3.67,5.94,;3.67,4.4,;2.34,3.63,;1,4.4,;1,5.94,;-.33,3.63,;-.33,2.09,;-1.67,1.32,;-3,2.09,;-4.33,1.32,;-5.67,2.09,;-5.67,3.63,;-7,4.4,;-8.33,3.63,;-8.33,2.09,;-7,1.32,;1,1.32,;1,-.22,;2.34,2.09,;3.67,1.32,;3.67,-.22,;2.34,-.99,;5,-.99,;6.34,-.22,;7.67,-.99,;9,-.22,;10.34,-.99,;10.34,-2.53,;9,-3.3,;7.67,-2.53,;11.67,-3.3,;13.01,-2.53,;11.67,-4.84,)|
14576 Cc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14577 Cc1ccc(cc1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14578 COc1ccccc1-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N |(6.34,1.32,;5,2.09,;5,3.63,;6.34,4.4,;6.34,5.94,;5,6.71,;3.67,5.94,;3.67,4.4,;2.34,3.63,;1,4.4,;1,5.94,;-.33,3.63,;-.33,2.09,;-1.67,1.32,;-3,2.09,;-4.33,1.32,;-5.67,2.09,;-5.67,3.63,;-7,4.4,;-8.33,3.63,;-8.33,2.09,;-7,1.32,;1,1.32,;1,-.22,;2.34,2.09,;3.67,1.32,;3.67,-.22,;2.34,-.99,;5,-.99,;6.34,-.22,;7.67,-.99,;9,-.22,;10.34,-.99,;10.34,-2.53,;9,-3.3,;7.67,-2.53,;11.67,-3.3,;13.01,-2.53,;11.67,-4.84,)|
14579 COc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14580 COc1ccc(cc1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14581 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(Br)c2)cc1
14582 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(c2)[N+]([O-])=O)cc1
14583 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(N)c2)cc1
14584 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2cccc(O)c2)cc1
14585 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NC3CCC3)c2=O)-c2ccccc2O)cc1 |(13.01,-2.53,;11.67,-3.3,;11.67,-4.84,;10.34,-2.53,;10.34,-.99,;9,-.22,;7.67,-.99,;6.34,-.22,;5,-.99,;3.67,-.22,;2.34,-.99,;3.67,1.32,;2.34,2.09,;2.34,3.63,;1,4.4,;1,5.94,;-.33,3.63,;-.33,2.09,;-1.67,1.32,;-3,2.09,;-3,3.63,;-4.54,3.63,;-4.54,2.09,;1,1.32,;1,-.22,;3.67,4.4,;3.72,5.94,;5.08,6.66,;6.39,5.85,;6.34,4.31,;4.98,3.58,;4.93,2.05,;7.67,-2.53,;9,-3.3,)|
14586 COC(=O)c1cccc(c1)-c1c(Cl)nc(NC(C)C)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14587 CC(C)Nc1nc(Cl)c(-c2cccc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14588 CNc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14589 CN(C)c1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14590 CC(=O)Nc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14591 NC(=N)c1ccc(CNC(=O)Cn2c(c(Cl)nc(NCCc3ccccc3)c2=O)-c2cccc(NC(=O)C(F)(F)F)c2)cc1
14592 CS(=O)(=O)Nc1cccc(c1)-c1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
14593 CC(C)Nc1nc(Cl)c(-c2cc(N)cc(c2)C(O)=O)n(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O
14594 NC(=N)c1ccc(CNC(=O)Cc2c(F)ccc(NCCc3ccccc3)c2F)cc1
14595 NC(=N)c1ccc(CNC(=O)Cc2c(F)c(NCCc3ccccc3)ccc2-c2ccccc2)cc1
14596 NC(=N)c1ccc(CNC(=O)Cc2c(F)c(NCc3ccccc3)ccc2-c2cccc(N)c2)cc1
14597 CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1F
14598 COc1c(NCCc2ccccc2)ccc(c1CC(=O)NCc1ccc(cc1)C(N)=N)-c1ccccc1
14599 COc1c(NC(C)C)ccc(-c2ccccc2)c1CC(=O)NCc1ccc(cc1)C(N)=N
14600 NC(=N)c1ccc(CNC(=O)Cc2c(O)c(NCCc3ccccc3)ccc2-c2ccccc2)cc1
14601 CC(C)Nc1ccc(-c2ccccc2)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1O
14602 [#6]\[#6](-[#6])=[#7]\c1cc(-[#8])c(-c2ccccc2)c(-[#6]-[#6](=O)-[#7]-[#6]-c2ccc(cc2)-[#6](-[#7])=[#7])c1-[#8]
14603 NC(=N)c1ccc(CNC(=O)Cc2c(F)ccc(NS(=O)(=O)Cc3ccccc3)c2F)cc1
14604 COc1cc(c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N)[N+]([O-])=O
14605 COc1cc(N)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14606 COc1cc(NC(=O)CN(C)C)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14607 CCOCCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14608 COCCOCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14609 COc1cc(NC(=O)COC(C)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14610 COC(=O)CCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14611 COC(=O)CCCCCCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14612 COc1cc(NC(=O)c2ccccn2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14613 COc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14614 COc1cc(NC(=O)c2ccncc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14615 COc1cc(NC(=O)Cc2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14616 COc1cc(NC(=O)c2ccco2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14617 COc1cc(NC(=O)c2cccs2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14618 COc1cc(NC(=O)Cc2ccsc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14619 COc1cc(NC(=O)CCCc2cccs2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14620 COc1cc(NC(=O)CCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14621 COc1cc(NC(=O)CCCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14622 CCC(C)C(C(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl)c1ccccc1
14623 COc1ccc(CCC(=O)Nc2cc(OC)c(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
14624 COc1cccc(CCC(=O)Nc2cc(OC)c(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)c1
14625 COc1ccc(CC(=O)Nc2cc(OC)c(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
14626 COc1cc(NC(=O)Cc2ccc(cc2)S(C)(=O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14627 COc1cc(NC(=O)CCCOc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14628 COc1cc(C=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14629 COc1cc(CN2CCCCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14630 CN(C)CCOc1cc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14631 CN(C)CCOCCOc1cc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14632 CN(C)CCOCCN(C)CCOc1cc(N2CCCC2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14633 Clc1cc(NC(=O)Nc2cnc(cn2)C#N)c(cc1OCc1cccnc1)N1CCCC1
14634 Clc1cc(NC(=O)Nc2cnc(cn2)C#N)c(cc1OCC1CCOC1)N1CCCC1
14635 CN1CCN(CC1)c1cc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14636 CN1CCN(CC1)c1cc(OCc2cccnc2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14637 CN(C)CCOc1cc(N2CCN(C)CC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14638 CN(C)CCOc1cc(OCC2(C)COC2)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14639 COc1cc(C=O)ccc1NC(=O)Nc1cnc(cn1)C#N
14640 COc1cc(CN2CCCCC2)ccc1NC(=O)Nc1cnc(cn1)C#N
14641 COc1cc(CN2CCOCC2)ccc1NC(=O)Nc1cnc(cn1)C#N
14642 COc1cc(CN2CCN(C)CC2)ccc1NC(=O)Nc1cnc(cn1)C#N
14643 COc1cc(CN2CCCC2)ccc1NC(=O)Nc1cnc(cn1)C#N
14644 COc1cc(CN(C)CCN(C)C)ccc1NC(=O)Nc1cnc(cn1)C#N
14645 COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
14646 COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1
14647 COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3c[nH]c4c(C)cccc34)c2c1
14648 COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3cccc(OC)c3OC)c2c1
14649 COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
14650 COc1cc(ccc1O)-c1ccc2\C(=C\c3c[nH]c4ccccc34)C(=O)Nc2c1
14651 COc1cc(ccc1O)-c1ccc2\C(=C\c3c[nH]c4c(C)cccc34)C(=O)Nc2c1
14652 COc1cc(ccc1O)-c1ccc2\C(=C\c3cccc(OC)c3OC)C(=O)Nc2c1
14653 COc1cc(cc(OC)c1OC)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14654 Oc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14655 Nc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14656 COc1cc(O)ccc1-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14657 Fc1ccc(cc1F)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14658 FC(F)(F)Oc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14659 Cc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14660 COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)cc3C)C(=O)Nc2c1
14661 COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)cc3C(C)C)C(=O)Nc2c1
14662 COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)cc3-c3ccccc3)C(=O)Nc2c1
14663 COc1cc(ccc1O)-c1ccc2\C(=C\C3CCCN3)C(=O)Nc2c1
14664 COc1cc(ccc1O)-c1ccc2C(=Cc3c[nH]c4ncccc34)C(=O)Nc2c1 |w:14.15|
14665 COc1cc(ccc1O)-c1ccc2\C(=C\c3ncc[nH]3)C(=O)Nc2c1
14666 COC(=O)CCc1c(C)[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)c(OC)c2)c1C
14667 COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)c(CN(C)C)c3C(C)C)C(=O)Nc2c1
14668 COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)c(CCO)c3C)C(=O)Nc2c1
14669 COc1cc(ccc1O)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
14670 COc1cc(ccc1O)-c1ccc2C(=Cc3c[nH]c4nc(ccc34)C#N)C(=O)Nc2c1 |w:14.15|
14671 OP(O)(O)=O
14672 OC(=O)CC(O)(CC(O)=O)C(O)=O
14673 OC(=O)CC(O)=O
14674 OC(=O)C(O)=O
14675 OP(O)(=O)Oc1ccccc1
14676 OC(=O)C(C(O)=O)c1ccccc1
14677 OC(=O)C(c1ccccc1)S(O)(=O)=O
14678 OP(O)(=O)C(c1ccccc1)P(O)(O)=O
14679 COc1cccc(C=O)c1OP(O)(O)=O
14680 OP(O)(=O)Oc1ccccc1C=O
14681 Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1
14682 OP(O)(=O)Oc1cccc2CCCNc12
14683 OP(O)(O)C(=O)c1cccc2ccccc12
14684 OP(O)(=O)Oc1cccc2ccc(nc12)C#N
14685 OP(=O)(OCC1CCCCC1)Oc1ccccc1C=O
14686 OP(O)(O)C(=O)c1cc2OCOc2cc1[N+]([O-])=O
14687 CCc1ccc(NC(=O)P(O)(O)=O)cc1
14688 OP(=O)(OCc1ccccc1)Oc1ccccc1C=O
14689 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14690 CC(=O)N[C@@H](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14691 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14692 COC(=O)c1cc(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(cc3)-c3ccccc3)C2=O)ccc1C(F)(C(O)=O)C(O)=O |r|
14693 CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14694 CC(=O)N[C@@H](Cc1ccc(CC(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14695 CC(=O)N[C@@H](Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14696 CC(=O)N[C@@H](Cc1ccc(C(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14697 CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14698 CC(=O)N\C(=C/c1ccc(CC(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
14699 CCOC(=O)C(C=Nc1ccc2sc3ccccc3c2c1)C(=O)OCC |w:7.7|
14700 CCCCCCCCC=Cc1c(C)c(O)c(OC)c(OC)c1O |w:9.9|
14701 CCOC(=O)C(C=Nc1ccc2n(CC)c3ccccc3c2c1)C#N |w:7.7|
14702 CCOC(=O)C(C=Nc1ccc2n[nH]cc2c1)C(=O)OCC |w:7.7|
14703 CCOC(=O)C(C=Nc1ccc(C)cc1)C(=O)OCC |w:7.7|
14704 CCOC(=O)C(C=Nc1ccccc1C)C(=O)OCC |w:7.7|
14705 CCOC(=O)C(C=Nc1ccc2nc[nH]c2c1)C(=O)OCC |w:7.7|
14706 CCOC(=O)C(C=Nc1ccc(cc1)-c1ccccc1)C#N |w:7.7|
14707 CCOC(=O)C(C=Nc1ccc(cc1)-c1ccccc1)C(=O)OCC |w:7.7|
14708 CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C#N |w:7.7|
14709 CCOC(=O)C(C=Nc1cccc(c1)-c1ccccc1)C(=O)OCC |w:7.7|
14710 Cc1cc(Br)ccc1NC(=O)c1ccc2ccccc2c1
14711 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cc(Cl)cc(Cl)c1
14712 CC(=O)C(C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
14713 CSCCc1c(OCCCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)n(nc1-c1cccnc1)-c1ccc(Cl)c(Cl)c1 |r|
14714 CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|
14715 CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
14716 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O |r|
14717 COc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
14718 Cc1cc(C)[n+](c(C)c1)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
14719 CC(C)c1cc(C)cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
14720 CC(C)c1cc(C)cc(C(C)C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
14721 Cc1cc([n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)C(C)(C)C)C(C)(C)C
14722 Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14723 CCc1cc(cc(CC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14724 CCCc1cc(cc(CCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14725 CCCCc1cc(cc(CCCC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14726 CC(C)c1cc(cc(C(C)C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14727 Cc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14728 CCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14729 CCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14730 CC(C)c1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14731 CCCCc1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14732 CC(C)(C)c1cc(cc(-c2ccccc2)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14733 Cc1cc(-c2ccccc2)[n+](-c2ccc(cc2)S(=O)(=O)Nc2nnc(s2)S(N)(=O)=O)c(c1)-c1ccccc1
14734 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2c(cc(cc2-c2ccccc2)-c2ccccc2)-c2ccccc2)s1
14735 NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2c(cccc2-c2ccccc2)-c2ccccc2)s1
14736 Cc1cc(C)[n+](c(C)c1C)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
14737 Cc1cc(c(C)c(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
14739 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(F)(F)F)c2cc1OC |r|
14740 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C)c2cc1OC |r|
14741 COc1ccccc1O[C@@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12 |r|
14742 COc1ccccc1O[C@H]1CCN(C1)c1ncnc2cc(OC)c(OC)cc12 |r|
14743 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3Cl)c2cc1OC |r|
14744 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C#N)c2cc1OC |r|
14745 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C#N)c2cc1OC |r|
14746 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(OC(F)(F)F)cc3)c2cc1OC |r|
14747 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc(cc3)C(C)(C)C)c2cc1OC |r|
14748 CCOc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1 |r|
14749 COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)C(C)C)c2cc1OC |r|
14750 COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc(c3)-c3ccccc3)c2cc1OC |r|
14751 CCOc1cccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)c1 |r|
14752 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4CCCc4c3)c2cc1OC |r|
14753 COc1ccc(O[C@@H]2CCN(C2)c2ncnc3cc(OC)c(OC)cc23)cc1OC |r|
14754 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
14755 COc1cc2ncnc(N3CCc4cccc(c4C3)S(=O)(=O)N3CCN(C)CC3)c2cc1OC
14756 COc1cc2ncnc(N3CC[C@H](C3)Oc3ncc(Cl)cn3)c2cc1OC |r|
14757 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccn3)c2cc1OC |r|
14758 COc1cc2ncnc(N3CC[C@H](C3)Oc3cccnc3)c2cc1OC |r|
14759 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccncc3)c2cc1OC |r|
14760 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ccccc4c3)c2cc1OC |r|
14761 COc1cc2ncnc(N3CC[C@H](C3)Oc3cccc4ccccc34)c2cc1OC |r|
14762 COc1ccc2cc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)ccc2c1 |r|
14763 COc1ccc2ccc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)cc2c1 |r|
14764 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4ncccc4c3)c2cc1OC |r|
14765 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4nc(C)ccc4c3)c2cc1OC |r|
14766 COc1cc2ncnc(N3CC[C@H](C3)Oc3ccc4cccnc4c3)c2cc1OC |r|
14767 COc1cc2ncnc(N3CC[C@H](C3)Oc3cc4ccccc4cn3)c2cc1OC |r|
14768 COc1cc2ncnc(N3CC[C@H](C3)Oc3cnc4ccccc4n3)c2cc1OC |r|
14769 COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1
14770 [H][C@]12CN(C)C[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:12:9:26:2.5.3|
14771 COc1ccc(cc1OC1CCCC1)C(C)=NOC(N)=O |w:16.18|
14772 CCCOc1cc(ccc1OC)C1(C)CNC(=O)O1
14773 COc1ccc(cc1OC1CCCC1)C1(CCC(CC1)C(O)=O)C#N |(1.4,-2.1,;1.4,-.56,;.07,.21,;-1.27,-.56,;-2.6,.21,;-2.6,1.75,;-1.27,2.52,;.07,1.75,;1.4,2.52,;1.4,4.06,;2.65,4.96,;2.17,6.43,;.63,6.43,;.15,4.96,;-3.93,2.52,;-4.44,3.97,;-5.95,4.26,;-6.96,3.1,;-6.46,1.65,;-4.94,1.35,;-8.47,3.39,;-9.48,2.23,;-8.97,4.85,;-3.16,3.85,;-2.39,5.18,)|
14774 FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
14775 COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
14776 CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
14777 [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
14778 Cc1n[nH]c(C)c1C(O)=O
14779 CCOC(=O)c1c(C)n[nH]c1C
14780 CCOC(=O)c1cn[nH]c1C
14781 CCOC(=O)c1cn[nH]c1N
14782 CCOC(=O)c1cn[nH]c1C(F)(F)F
14783 COC(=O)c1c(C)[nH]nc1-c1cc(C)on1
14784 CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1
14785 CCOC(=O)c1c(C)nn(c1C)-c1ccccc1
14786 CCOC(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
14787 CCOC(=O)c1c(C)nn(c1C)-c1cccc2cccnc12
14788 CCOC(=O)c1cnn(c1N)-c1ncnc2sc3CCCCc3c12
14789 CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
14790 CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
14791 CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC(F)(F)F)cc1
14792 CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(C)(C)C
14793 CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)S(N)(=O)=O
14794 CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC)cc1
14795 CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)[N+]([O-])=O
14796 CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1
14797 CCOC(=O)c1c(C)nn(c1C)-c1ccccc1Cl
14798 CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
14799 COc1ccc(cc1)-c1oc2ncnc(NCCO)c2c1-c1ccc(OC)cc1
14800 OCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14801 CN(CCO)c1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14802 OC(=O)CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14803 OCCNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
14804 CC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
14805 OCC(O)CNc1ncnc2[nH]c(c(-c3ccccc3)c12)-c1ccccc1
14806 Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14807 OCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14808 C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
14809 O=C(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
14810 OCC(Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)c1ccccc1
14811 NCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14812 COCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14813 CC(CO)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
14814 Nc1ncnc2nc(SCC(O)=O)[nH]c12
14815 NCCCNc1nc(F)c(Cl)c(C2c3ccccc3Sc3ccccc23)c1F
14816 Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(O)c1
14817 COc1ccc(Cl)cc1-c1nnc(Nc2ccc(cc2)C(O)=O)s1
14818 OC(=O)COc1ccc-2c(c1)C(N=O)c1cc(OCC(O)=O)ccc-21
14819 Clc1cc2OCOc2cc1CN=Nc1nnc2c(n1)[nH]c1ccccc21 |w:12.14|
14820 NN1C(=S)[S+]=C(C1=O)[c-]1c2cc(ccc2[nH]c1=O)[N+]([O-])=O |c:4|
14821 NC[C@H](O)CNc1ccc([N+]([O-])=O)c2cccnc12 |r|
14822 CCCn1nc(nc1-c1nonc1N)-c1nonc1N
14823 NC(=O)CSc1nc2ncnc(N)c2[nH]1
14824 COc1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)ncc2Br)cc1
14825 O=C1Nc2cc(ccc2C1c1ncnc2cc(OCCCN3CCOCC3)ccc12)C#N
14826 Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
14827 Clc1ccc(OC2CCOCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
14828 CN1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14829 CC(CN(C)C)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
14830 CC1(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)COC1
14831 Cn1nc(cc1NC(=O)Nc1ccc(Cl)cc1)C(C)(C)C
14832 Fc1ccc(cc1)-c1nc2SCCn2c1-c1ccncc1
14833 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)OCC)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:26:2.3|
14834 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)CO
14835 Cn1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
14836 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccccc1)C(C)(C)C
14837 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
14838 CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
14839 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
14840 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12)C(C)(C)C
14841 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1Cc2ccccc2C1 |r,TLB:10:7:24:2.3|
14842 O=C(Nc1ccnn1-c1ccccc1)Nc1ccc(OCCN2CCOCC2)c2ccccc12
14843 CC1(CCCCC1)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccccc1
14844 Cc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
14845 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(Cc2ccccc2)n1
14846 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)C1CCCCC1
14847 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1cccc(N)c1
14848 CC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
14849 CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(n1)-c1ccc(N)cc1
14850 CC(=O)Nc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
14851 COc1ccc(cn1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
14852 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3([H])C[C@@]([H])(C[C@@](O)(C3)C1)C2 |r,TLB:35:33:37:27.26.29,35:27:37:33.36.32,10:7:24:2.3,THB:34:33:37:27.26.29,32:33:26:37.30.29,32:30:26:33.36.35|
14853 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCS(=O)CC2)c2ccccc12)C(C)(C)C
14854 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:24:2.3|
14855 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCCCC2)c2ccccc12)C(C)(C)C
14856 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCNCC2)c2ccccc12)C(C)(C)C
14857 C[C@H]1CN(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)C[C@@H](C)O1 |r|
14858 C[C@H]1CN(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)C[C@H](C)O1 |r|
14859 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCSCC2)c2ccccc12)C(C)(C)C
14860 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCc2cccnc2)c2ccccc12)C(C)(C)C
14861 COc1ccc(CCOc2ccc(NC(=O)Nc3cc(nn3-c3ccc(C)cc3)C(C)(C)C)c3ccccc23)cc1OC
14862 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12)C(C)(C)C
14863 NC(=O)NCc1ccc(O)c(c1)-c1cccc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O
14864 NC(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
14865 CCCCCNC(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
14866 Oc1c(cccc1-c1cccc(CNC(=O)NCCc2ccccc2)c1)-c1cc2cnccc2[nH]1
14867 Oc1c(cccc1-c1cccc(CNC(=O)NCCc2cccs2)c1)-c1cc2cnccc2[nH]1
14868 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccccc2)c1)-c1cc2cnccc2[nH]1
14869 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccccc2F)c1)-c1cc2cnccc2[nH]1
14870 Oc1c(cccc1-c1cccc(CNC(=O)Nc2cccc(F)c2)c1)-c1cc2cnccc2[nH]1
14871 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccc(F)cc2)c1)-c1cc2cnccc2[nH]1
14872 Oc1c(cccc1-c1cccc(CNC(=O)Nc2c(F)cccc2F)c1)-c1cc2cnccc2[nH]1
14873 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccc(F)cc2F)c1)-c1cc2cnccc2[nH]1
14874 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccc(F)c(F)c2)c1)-c1cc2cnccc2[nH]1
14875 Oc1c(cccc1-c1cccc(CNC(=O)Nc2cc(F)cc(F)c2)c1)-c1cc2cnccc2[nH]1
14876 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccccc2Cl)c1)-c1cc2cnccc2[nH]1
14877 COc1ccccc1NC(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
14878 COc1cccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1
14879 COc1ccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)cc1
14880 COc1ccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)c(OC)c1
14881 CC(=O)c1cccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1
14882 CC(=O)c1ccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)cc1
14883 OC(=O)c1ccc(NC(=O)NCc2cccc(c2)-c2cccc(-c3cc4cnccc4[nH]3)c2O)cc1
14884 Oc1c(cccc1-c1cccc(CNC(=O)Nc2cccs2)c1)-c1cc2cnccc2[nH]1
14885 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccsc2)c1)-c1cc2cnccc2[nH]1
14886 Oc1c(cccc1-c1cccc(CNC(=O)Nc2ccccn2)c1)-c1cc2cnccc2[nH]1
14887 Oc1c(cccc1-c1cccc(CNC(=O)Nc2cccnc2)c1)-c1cc2cnccc2[nH]1
14888 Oc1c(cccc1-c1cccc(CNC(=O)N2CCCC2)c1)-c1cc2cnccc2[nH]1
14889 CN1CCN(CC1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
14890 Oc1c(cccc1-c1cccc(CNC(=O)Cc2ccccc2)c1)-c1cc2cnccc2[nH]1
14891 Oc1c(cccc1-c1cccc(CNC(=O)Cc2c(F)cccc2F)c1)-c1cc2cnccc2[nH]1
14892 OCC(C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O)c1ccccc1
14893 OCC(C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O)c1cccnc1
14894 OC(C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O)c1ccccc1
14895 Oc1c(cccc1-c1cccc(CNC(=O)CCCc2ccccc2)c1)-c1cc2cnccc2[nH]1
14896 ON(Cc1ccccc1)C(=O)NCc1cccc(c1)-c1cccc(-c2cc3cnccc3[nH]2)c1O
14897 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccccc2)c1O)C(CC(O)=O)C(O)=O
14898 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(F)ccc1O)C(CC(O)=O)C(O)=O
14899 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)ccc1O)C(CC(O)=O)C(O)=O
14900 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)[N+]([O-])=O)C(CC(O)=O)C(O)=O
14901 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(N)ccc1O)C(CC(O)=O)C(O)=O
14902 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(ccc1O)C#N)C(CC(O)=O)C(O)=O
14903 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1O)C(CC(O)=O)C(O)=O
14904 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Br)c1O)C(CC(O)=O)C(O)=O
14905 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Cl)c1O)C(CC(O)=O)C(O)=O
14906 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1c(O)cc(Cl)cc1Cl)C(CC(O)=O)C(O)=O |(-12.53,-2.27,;-11.93,-.85,;-12.87,.37,;-10.41,-.66,;-9.47,-1.88,;-7.95,-1.68,;-7.35,-.26,;-5.9,.25,;-5.93,1.78,;-7.41,2.23,;-8.29,.96,;-9.81,.77,;-4.6,2.55,;-4.6,4.1,;-3.27,4.87,;-1.93,4.1,;-1.93,2.55,;-3.27,1.78,;-3.27,.24,;-.6,1.78,;.73,2.56,;.73,4.1,;2.07,1.78,;2.07,.24,;3.4,-.53,;.73,-.53,;-.6,.24,;-1.93,-.53,;-3.27,6.41,;-1.93,7.18,;-.6,6.41,;-.6,4.87,;.73,7.18,;-4.6,7.18,;-5.93,6.41,;-4.6,8.72,)|
14907 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(CO)c2)c1O)C(CC(O)=O)C(O)=O
14908 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)[N+]([O-])=O)c1O)C(CC(O)=O)C(O)=O
14909 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1[N+]([O-])=O)C(CC(O)=O)C(O)=O
14910 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cc(Cl)cc(Cl)c2)c1O)C(CC(O)=O)C(O)=O
14911 Cc1cc(C)cc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14912 CC(=O)c1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14913 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(N)c2)c1O)C(CC(O)=O)C(O)=O
14914 Cc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14915 CC(=O)N(c1cccc(C)c1)c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14916 CSc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14917 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(Cl)c2)c1O)C(CC(O)=O)C(O)=O
14918 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cc(F)cc(F)c2)c1O)C(CC(O)=O)C(O)=O
14919 CC(C)c1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14920 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(c2)C#N)c1O)C(CC(O)=O)C(O)=O
14921 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccc(O)c2)c1O)C(CC(O)=O)C(O)=O
14922 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccc(Cl)s2)c1O)C(CC(O)=O)C(O)=O
14923 CC(=O)Nc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14924 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cccc(OC(F)F)c1)C(CC(O)=O)C(O)=O
14925 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(CC(C3)C1)C2 |r,TLB:28:29:33:27.26.32,32:27:34:31.33.30,32:31:34:27.26.28,10:7:24:2.3,THB:28:27:33:34.29.30|
14926 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccc(F)c(Cl)c1)C(CC(O)=O)C(O)=O
14927 COc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14928 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccc(CO)s2)c1O)C(CC(O)=O)C(O)=O
14929 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1F)C(CC(O)=O)C(O)=O
14930 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)cc(Cl)c1Cl)C(CC(O)=O)C(O)=O
14931 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cc(Cl)ccc1Cl)C(CC(O)=O)C(O)=O
14932 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cccc(Cl)c1Cl)C(CC(O)=O)C(O)=O
14933 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1cccc(c1)C1CCOC(=O)O1)C(CC(O)=O)C(O)=O
14934 COc1ccc(cc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O)C#N
14935 COc1ccc(F)cc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14936 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1N)C(CC(O)=O)C(O)=O
14937 Cc1ccc(cc1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14938 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccc(Cl)cc2)c1O)C(CC(O)=O)C(O)=O
14939 Cc1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14940 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2cccnc2)c1O)C(CC(O)=O)C(O)=O
14941 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(c1O)-c1ccccc1CO)C(CC(O)=O)C(O)=O
14942 NCc1cccc(c1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14943 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(cc(-c2ccc(O)cc2)c1O)C(CC(O)=O)C(O)=O
14944 COc1ccc(cc1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14945 CC(=O)c1ccccc1-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14946 NC(=N)c1ccc2nc([nH]c2c1)-c1cc(ccc1O)C(CC(O)=O)C(O)=O
14947 CC(C)(C)c1ccc(cc1)-c1cc(cc(-c2nc3ccc(cc3[nH]2)C(N)=N)c1O)C(CC(O)=O)C(O)=O
14948 CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
14949 Cc1ccc(cc1-c1ccc2nc(N)ncc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
14950 Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
14951 Nc1ncc(cn1)C#Cc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
14952 Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cccc(c1)C(F)(F)F
14953 Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14954 Nc1ncc(cn1)C#Cc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14955 Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14956 COc1ccc(cc1C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F)C#Cc1cnc(N)nc1
14957 CN(C)CCCN(C)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
14958 CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
14959 CN(C)C1CCN(CC1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
14960 CN(C)[C@@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
14961 CN(C)[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
14962 CN[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
14963 N[C@H]1CCCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
14964 CN(C)[C@@H]1CCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
14965 CN(C)[C@H]1CCN(C1)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F |r|
14966 Cc1ccc(cc1C#Cc1ccc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
14967 Cc1ccc(cc1C#Cc1cnc2nc[nH]c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
14968 CNC(=O)c1ccc(cn1)C#Cc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
14969 Cc1ccc(cc1C#Cc1cnc2ccccc2c1)C(=O)Nc1cccc(c1)C(F)(F)F
14970 Cc1ccc(cc1C#Cc1cnc2ccccc2n1)C(=O)Nc1cccc(c1)C(F)(F)F
14971 Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
14972 Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1ccccc1
14973 Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1ccc(cc1)C(F)(F)F
14974 CN(C)CCCc1cc(NC(=O)c2ccc(C)c(Nc3ncccc3-c3ccncn3)c2)cc(c1)C(F)(F)F
14975 COc1ccc(cc1NC(=O)c1ccc(C)c(Nc2ncccc2-c2ccncn2)c1)C(F)(F)F
14976 Cc1ccc(cc1Nc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14977 Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cccc(c1)C(F)(F)F
14978 Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1ccc(cc1)C(F)(F)F
14979 COc1ccc(cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccncn2)c1)C(F)(F)F
14980 Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14981 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C#CC(C)C)C(C)C |r,TLB:10:7:24:2.3|
14982 Cc1ccc(cc1Oc1ncccc1-c1ccncn1)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
14983 CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
14984 CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1OC)C1CCCCC1
14985 CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1OC)C1CCCCC1
14986 CNc1cc(ccn1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1OC)C1CCCCC1
14987 COc1ccc(cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ccnc3ccccc23)c1)C1CCCCC1
14988 COc1ccc(cc1NC(=O)c1ccc(C)c(Oc2ncccc2-c2ncnc3cc(OC)c(OC)cc23)c1)C1CCCCC1
14989 CNc1nccc(n1)-c1cccnc1Oc1cccc(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14990 CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1F)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14991 CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1Cl)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14992 CNc1nccc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14993 CNc1nccc(n1)-c1cccnc1Oc1cccc(C(=O)Nc2cc(ccc2N2CCCCC2)C(F)(F)F)c1C
14994 CNc1nccc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14995 CNc1nccc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
14996 CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
14997 CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
14998 CNc1ncnc(n1)-c1cccnc1Oc1cc(ccc1C)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
14999 CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
15000 CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(F)(F)F
15001 CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C(C)C
15002 CNc1ncnc(n1)-c1cccnc1Oc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N(C)CCCN(C)C)C1CC1
15003 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
15004 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
15005 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(Oc5ccccc5)c4)cc3)c12
15006 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
15007 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)c12
15008 COc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1
15009 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12
15010 Nc1ncnc2occ(-c3ccc(NC(=O)Nc4ccc5ccccc5c4)cc3)c12
15011 CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1C
15012 CCOC(=O)c1[nH]c(C=O)c(C(=O)OCC)c1CC
15013 CCOC(=O)c1[nH]c(CO)c(C(=O)OCC)c1C
15014 CCN(CC)C(=O)c1[nH]c(C=O)c(C(=O)N(CC)CC)c1C
15015 CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)OC(C)(C)C
15016 CCOC(=O)c1c(CC)c([nH]c1C=O)C(=O)NC(C)(C)C
15017 CCOC(=O)c1c(CC)c(C(=O)OC(C)(C)C)n(C)c1C=O
15018 COc1cc(Nc2ncnc(n2)-c2cccnc2Nc2ccccc2)cc(OC)c1OC
15019 O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1
15020 COc1cc(Nc2ncnc(n2)-c2cccnc2Nc2cccc(c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC
15021 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1ccccc1 |r|
15022 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15023 N[C@H](COc1cncc(c1)C#Cc1ccncc1)Cc1c[nH]c2ccccc12 |r|
15024 N[C@H](COc1cncc(c1)C#Cc1cccnc1)Cc1c[nH]c2ccccc12 |r|
15025 N[C@H](COc1cncc(c1)C(=O)Nc1ccncc1)Cc1c[nH]c2ccccc12 |r|
15026 N[C@H](COc1cncc(NC(=O)c2cccnc2)c1)Cc1ccccc1 |r|
15027 N[C@H](COc1cncc(NCc2ccncc2)c1)Cc1ccccc1 |r|
15028 N[C@H](COc1cncc(NCc2cccnc2)c1)Cc1ccccc1 |r|
15029 N[C@H](COc1cncc(c1)-c1ccccc1-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
15030 N[C@H](COc1cncc(c1)-c1nc(cs1)-c1ccncc1)Cc1ccccc1 |r|
15031 N[C@H](COc1cncc(c1)-c1nc(cs1)-c1cccnc1)Cc1ccccc1 |r|
15032 N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15033 N[C@H](COc1cncc(Nc2cccnc2)c1)Cc1c[nH]c2ccccc12 |r|
15034 N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1ccccc1 |r|
15035 N[C@H](COc1cncc(Nc2cccnc2)c1)Cc1ccccc1 |r|
15036 N[C@H](COc1cncc(NC(=O)c2ccncc2)c1)Cc1ccccc1 |r|
15037 N[C@H](COc1cncc(c1)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
15038 Cc1c(cc(C#N)c(=O)n1C)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15039 N[C@H](COc1cncc(c1)-c1ccc(cc1)C#N)Cc1c[nH]c2ccccc12 |r|
15040 N[C@H](COc1cncc(c1)-c1ccc(F)cc1)Cc1c[nH]c2ccccc12 |r|
15041 N[C@H](COc1cncc(c1)-c1ccc(cc1)N(=O)=O)Cc1c[nH]c2ccccc12 |r|
15042 N[C@H](COc1cncc(c1)-c1ccc(N)cc1)Cc1c[nH]c2ccccc12 |r|
15043 N[C@H](COc1cncc(c1)-c1ccc(cc1)C(O)=O)Cc1c[nH]c2ccccc12 |r|
15044 N[C@H](COc1cncc(c1)-c1ccc(cc1)C(N)=O)Cc1c[nH]c2ccccc12 |r|
15045 N[C@H](COc1cncc(c1)-c1ccc(cc1)C(N)=N)Cc1c[nH]c2ccccc12 |r|
15046 N[C@H](COc1cncc(c1)-c1ccc(cc1)C(=N)NO)Cc1c[nH]c2ccccc12 |r|
15047 N[C@H](COc1cncc(c1)-c1ccc(cc1)S(N)(=O)=O)Cc1c[nH]c2ccccc12 |r|
15048 N[C@H](COc1cncc(c1)-c1cccc(c1)S(N)(=O)=O)Cc1c[nH]c2ccccc12 |r|
15049 N[C@H](COc1cncc(c1)-c1cccc(CC(N)=O)c1)Cc1c[nH]c2ccccc12 |r|
15050 CC(=O)Nc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15051 CC(=O)Nc1cccc(c1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15052 CC(=O)NCc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15053 CS(=O)(=O)Nc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15054 N[C@H](COc1cncc(c1)-c1ccc(cc1)-c1nnn[nH]1)Cc1c[nH]c2ccccc12 |r|
15055 N[C@H](COc1cncc(c1)-c1ccc(NC(=O)Nc2ccccc2)nc1)Cc1c[nH]c2ccccc12 |r|
15056 N[C@H](COc1cncc(c1)-c1ccc(Nc2ccnc(N)n2)cc1)Cc1c[nH]c2ccccc12 |r|
15057 N[C@H](COc1cncc(c1)-c1ccc(Nc2ncccn2)cc1)Cc1c[nH]c2ccccc12 |r|
15058 N[C@H](COc1cncc(c1)-c1cccc(Nc2ncccn2)c1)Cc1c[nH]c2ccccc12 |r|
15059 N[C@H](COc1cncc(c1)-c1cccc(Nc2nccs2)c1)Cc1c[nH]c2ccccc12 |r|
15060 N[C@H](COc1cncc(c1)-c1ccc(N)c(c1)C(=O)c1cccc(Cl)c1)Cc1c[nH]c2ccccc12 |r|
15061 N[C@H](COc1cncc(c1)-c1cccc2c(cccc12)C(N)=O)Cc1c[nH]c2ccccc12 |r|
15062 N[C@H](COc1cnc2ccc(cc2c1)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
15063 N[C@H](COc1cnc2ccc(cc2c1)-c1cccnc1)Cc1c[nH]c2ccccc12 |r|
15064 N[C@H](CNc1cncc(Oc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12 |r|
15065 N[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12 |r|
15066 N[C@H](COc1cncc2nc(ccc12)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
15067 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
15068 N[C@@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
15069 C[C@H](N)COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r|
15070 NCCOc1cncc(\C=C\c2ccncc2)c1
15071 NCCCOc1cncc(\C=C\c2ccncc2)c1
15072 CC(C)[C@H](N)COc1cncc(\C=C\c2ccncc2)c1 |r|
15073 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)C(O)=O |r|
15074 C(Oc1cncc(\C=C\c2ccncc2)c1)[C@@H]1CCN1 |r|
15075 C(Oc1cncc(\C=C\c2ccncc2)c1)[C@@H]1CCCN1 |r|
15076 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(CC)C#CC(C)C |r,TLB:10:7:24:2.3|
15077 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)C(c1ccccc1)c1ccccc1 |r|
15078 N[C@@H](CCc1ccccc1)COc1cncc(\C=C\c2ccncc2)c1 |r|
15079 N[C@@H](COCc1ccccc1)COc1cncc(\C=C\c2ccncc2)c1 |r|
15080 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)C(=O)Nc1ccc2ccccc2c1 |r|
15081 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1cccc(O)c1 |r|
15082 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1cccc(c1)C#N |r|
15083 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1cccc2ccccc12 |r|
15084 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1ccc2ccccc2c1 |r|
15085 N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1csc2ccccc12 |r|
15086 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1Cc2cccc3cccc1c23 |r,TLB:10:7:24:2.3|
15087 N[C@@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15088 N[C@H](COc1cnc(Cl)c(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15089 N[C@H](COc1cc(\C=C\c2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 |r|
15090 Cn1cc(C[C@H](N)COc2cncc(\C=C\c3ccncc3)c2)c2ccccc12 |r|
15091 CN(C)[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15092 OC(COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
15093 C(COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
15094 N[C@H](CCc1cnc(Cl)c(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15095 N[C@H](CNc1cnc(Cl)c(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15096 N[C@H](CNc1cnc(Cl)c(\C=C\c2ccncc2)c1)CC1CNc2ccccc12 |r|
15097 N[C@H](CNc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15098 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(\C=C\c2ccncc2)c1 |r|
15099 N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cncc(C=Cc2ccncc2)c1 |r,w:17.18|
15100 N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(\C=C\c2ccncc2)c1 |r|
15101 N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(\C=C\c2ccncc2)c1 |r|
15102 Brc1ccc(\C=C\CNCCOc2cncc(\C=C\c3ccncc3)c2)cc1
15103 NCC(c1ccccc1)c1cncc(\C=C\c2ccncc2)c1
15104 Cn1cc(C(CN)c2cncc(\C=C\c3ccncc3)c2)c2ccccc12
15105 N[C@H](COc1cncc(\C=C\c2ccccc2)c1)Cc1c[nH]c2ccccc12 |r|
15106 N[C@H](COc1cccc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
15107 N[C@H](COc1cc(\C=C\c2ccncc2)ccn1)Cc1c[nH]c2ccccc12 |r|
15108 N[C@H](COc1cccc(\C=C\c2ccncc2)n1)Cc1c[nH]c2ccccc12 |r|
15109 N[C@H](COc1cnccc1\C=C\c1ccncc1)Cc1ccccc1 |r|
15110 N[C@H](COc1ccc(\C=C\c2ccncc2)cn1)Cc1ccccc1 |r|
15111 COc1cc(\C=C\c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 |r|
15112 N[C@H](COc1cncc(\C=C\c2ccnc(Oc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
15113 N[C@H](COc1cncc(\C=C\c2ccnc(Sc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
15114 N[C@H](COc1cncc(\C=C\c2ccnc(SCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
15115 N[C@H](COc1cncc(\C=C\c2ccnc(N)c2)c1)Cc1c[nH]c2ccccc12 |r|
15116 CNc1cc(\C=C\c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 |r|
15117 CCNc1cc(\C=C\c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 |r|
15118 N[C@H](COc1cncc(\C=C\c2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12 |r|
15119 N[C@H](COc1cncc(\C=C\c2ccnc(NCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
15120 N[C@H](COc1cncc(\C=C\c2ccnc(c2)-n2ccc3ccccc23)c1)Cc1c[nH]c2ccccc12 |r|
15121 CC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
15122 Cn1cc(C[C@H](N)COc2cncc(c2)-c2ccc3cnccc3c2)c2ccccc12 |r|
15123 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1n[nH]c2ccccc12 |r|
15124 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1csc2ccccc12 |r|
15125 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccc2ccccc2c1 |r|
15126 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1cnc2ccccc2c1 |r|
15127 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccccc1 |r|
15128 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccncc1 |r|
15129 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)CC1CCCCC1 |r|
15130 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
15131 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15132 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)[nH]c3ccccc23)c1 |r|
15133 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2csc3ccccc23)c1 |r|
15134 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3ccccc3c2)c1 |r|
15135 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc3ccccc23)c1 |r|
15136 COc1ccc2ccccc2c1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1 |r|
15137 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cnc3ccccc3c2)c1 |r|
15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
15139 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccncc2)c1 |r|
15140 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CC2CCCCC2)c1 |r|
15141 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)c2ccccc2)c1 |r|
15142 Cc1n[nH]c2ccc(cc12)-c1cncc(OCC[C@@H](N)Cc2ccccc2)c1 |r|
15143 Cc1n[nH]c2ccc(cc12)-c1cncc(OCCC[C@@H](N)Cc2ccccc2)c1 |r|
15144 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CCCc2ccccc2)c1 |r|
15145 Cc1n[nH]c2ccc(cc12)-c1cncc(NC[C@@H](N)Cc2ccccc2)c1 |r|
15146 Cc1n[nH]c2ccc(cc12)-c1cncc(SC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
15147 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
15148 CC(C)(N)c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
15149 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3nc2-c2ccccc2)CC1
15150 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(=O)[nH]c2-c2ccccc2)CC1
15151 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2[nH]c(=O)cnc2-c2ccccc2)CC1
15152 Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
15153 Cc1nc(-c2ccccc2)c([nH]c1=O)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
15154 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc(Cc3ccccc3)c(=O)[nH]c2-c2ccccc2)CC1
15155 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2[nH]c(=O)c(Cc3ccccc3)nc2-c2ccccc2)CC1
15156 Oc1ccc(Cc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c([nH]c2=O)-c2ccccc2)cc1
15157 Oc1ccc(Cc2nc(-c3ccccc3)c([nH]c2=O)-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)cc1
15158 CCC(C)c1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
15159 CCC(C)c1nc(-c2ccccc2)c([nH]c1=O)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
15160 CC(C)Cc1nc(-c2ccc(CN3CCC(CC3)n3c4ccccc4[nH]c3=O)cc2)c([nH]c1=O)-c1ccccc1
15161 CC(C)Cc1nc(-c2ccccc2)c([nH]c1=O)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
15162 OC(=O)c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
15163 OC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
15164 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccc(cc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
15165 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc(ccc3nc2-c2ccccc2)-c2nnn[nH]2)CC1
15166 Cn1nnc(n1)-c1ccc2nc(-c3ccc(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)cc3)c(nc2c1)-c1ccccc1
15167 Cn1nnc(n1)-c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
15168 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4cn[nH]c4cc3nc2-c2ccccc2)CC1
15169 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3cc4[nH]cnc4cc3nc2-c2ccccc2)CC1
15170 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nc3ccccc3cc2-c2ccccc2)CC1
15171 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2cc3ccccc3nc2-c2ccccc2)CC1
15172 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)C#N)CC1
15173 N#Cc1cnc(-c2ccc(CNCc3ccc(cc3)-c3csnn3)cc2)c(c1)-c1ccccc1
15174 Fc1ccc2nc([nH]c2c1)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)C#N)CC1
15175 Cc1ccc2nc([nH]c2c1)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)C#N)CC1
15176 N#Cc1cnc(-c2ccc(CN3CCC(CC3)c3nc4ccccc4[nH]3)cc2)c(c1)-c1ccccc1
15177 N#Cc1cnc(-c2ccc(CN3CCC(CC3)n3cnc4ccccc34)cc2)c(c1)-c1ccccc1
15178 Cc1nc2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)C#N)CC1
15179 O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
15180 C(NCc1ccc(cc1)-c1ncc(cc1-c1ccccc1)-c1nnn[nH]1)c1ccc(cc1)-c1csnn1
15181 Fc1ccc2nc([nH]c2c1)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
15182 Cc1ccc2nc([nH]c2c1)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
15183 C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cc1)-c1ncc(cc1-c1ccccc1)-c1nnn[nH]1
15184 C(N1CCC(CC1)n1cnc2ccccc12)c1ccc(cc1)-c1ncc(cc1-c1ccccc1)-c1nnn[nH]1
15185 Cc1nc2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
15186 Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(C(O)=O)c(Cl)c3)c12 |w:15.15|
15187 Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1
15188 [#8]-[#6](=O)-c1cc(ccc1-[#8])-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1
15189 Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(cc3)C(O)=O)c12 |w:15.15|
15190 Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3cccc(c3)C(O)=O)c12 |w:15.15|
15191 O=S(=O)(NCCNCCOCc1ccccc1)c1cccc2cnccc12
15192 Cc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
15193 Cc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
15194 Cc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
15195 Clc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
15196 Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
15197 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(=O)Nc3nc(CC(O)=O)cs3)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:33:2.3|
15198 Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1Cl
15199 COc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
15200 COc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
15201 COc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
15202 NCCCNS(=O)(=O)c1cccc2cnccc12
15203 O=S(=O)(N1CCNCC1)c1cccc2cnccc12
15204 O=S(=O)(NC1CCNCC1)c1cccc2cnccc12
15205 NC1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
15206 O=S(=O)(NCC1CCNCC1)c1cccc2cnccc12
15207 N[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1cccc2cnccc12 |r,wU:1.0,wD:4.7,(1.72,8.34,;.18,8.34,;-.59,7.01,;-2.13,7.01,;-2.9,8.34,;-2.13,9.68,;-.59,9.68,;-4.44,8.34,;-5.78,7.57,;-5.78,9.11,;-7.26,7.97,;-5.78,6.03,;-7.11,5.26,;-7.11,3.72,;-5.78,2.95,;-4.44,3.72,;-3.11,2.95,;-1.77,3.72,;-1.77,5.26,;-3.11,6.03,;-4.44,5.26,)|
15208 O=S(=O)(NC1CCNC1)c1cccc2cnccc12
15209 O=S(=O)(NC[C@@H]1CCCN1)c1cccc2cnccc12 |r|
15210 CNCCNS(=O)(=O)c1cccc2cnccc12
15211 Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
15212 O=S(=O)(N[C@H]1CC[C@@H](CC1)NCc1ccccc1)c1cccc2cnccc12 |r,wU:7.10,wD:4.3,(-5.78,9.11,;-5.78,7.57,;-7.26,7.97,;-4.44,8.34,;-3.11,9.11,;-1.66,8.59,;-.48,9.58,;-.75,11.09,;-2.2,11.62,;-3.38,10.63,;.43,12.08,;1.88,11.56,;3.06,12.55,;2.53,14,;3.52,15.18,;5.04,14.9,;5.56,13.46,;4.57,12.28,;-5.78,6.03,;-7.11,5.26,;-7.11,3.72,;-5.78,2.95,;-4.44,3.72,;-3.11,2.95,;-1.77,3.72,;-1.77,5.26,;-3.11,6.03,;-4.44,5.26,)|
15213 Clc1ccc(COCC2CN(CCN2)S(=O)(=O)c2cccc3cnccc23)cc1
15214 Clc1ccc(COC[C@@H]2C[C@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1 |r|
15215 Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1 |r|
15216 Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1 |r|
15217 O=S(=O)(NC[C@@H]1C[C@@H](CN1)OCc1ccccc1)c1cccc2cnccc12 |r|
15218 Clc1ccc(CO[C@@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1 |r|
15219 Clc1ccc(COC[C@@H]2CC[C@H](CNS(=O)(=O)c3cccc4cnccc34)N2)cc1 |r|
15220 Cc1cncc2cccc(c12)S(=O)(=O)N[C@@H]1CN[C@H](COCc2ccc(Cl)cc2)C1 |r|
15221 Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3c2cc[nH]c3=O)cc1 |r|
15222 NS(=O)(=O)c1ccc(cc1)N=[N+]=[N-]
15223 CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
15224 CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
15225 CC(=O)O[C@@H]1COC(OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:7.7|
15226 NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)nn1 |r|
15227 CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |r|
15228 NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
15229 NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1 |r|
15230 NS(=O)(=O)c1ccc(cc1)-n1cc(COC2OC[C@@H](O)[C@@H](O)[C@@H]2O)nn1 |r,w:15.15|
15231 NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 |r|
15232 NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1 |r|
15233 NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
15234 [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
15235 CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
15236 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
15237 Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
15238 Nc1nccc(n1)-c1c(ncn1CC1CC1)-c1ccc(F)cc1
15239 Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
15240 C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
15241 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1
15242 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1
15243 Fc1ccc(Sc2nc3CNC(=O)N(c3cc2C2=CCNCC2)c2c(Cl)cccc2Cl)c(F)c1 |t:19|
15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
15245 CC(CN(C)C)Oc1cncc(NC(=O)Nc2cccc(Cl)c2)n1
15246 COc1ccc(Cl)cc1NC(=O)Nc1cncc(OC(C)CN(C)C)n1
15247 Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3
15248 Clc1ccc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
15249 Clc1ccc2OCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
15250 Clc1ccc2OCCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
15251 Oc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15252 OCCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15253 NCCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15254 OCC(O)COc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15255 OCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15256 COCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15257 COCCOCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15258 CN(C)CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15259 CC(C)CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15260 CC(C)CCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15261 CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15262 CC(C)Oc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15263 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCc1ccncc1)n3
15264 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCc1cccnc1)n3
15265 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCc1ccccn1)n3
15266 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCCn1ccnc1)n3
15267 Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15268 CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15269 CCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15270 CCCCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15271 OCCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15272 CC(C)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15273 CC(C)CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15274 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cccnc1)n3
15275 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1ccncc1)n3
15276 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1ccccc1)n3
15277 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cnc[nH]1)n3
15278 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cncs1)n3
15279 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cnco1)n3
15280 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1ccsc1)n3
15281 Cn1cncc1CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15282 CC(=O)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15283 CN(C)CC(=O)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15284 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NC(=O)CCNC1CCCC1)n3
15285 CS(=O)(=O)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15286 CN(C)c1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15287 CCN(CC)c1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15288 OCCN(CCO)c1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15289 Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1N1CCCCC1)n3
15290 OCC#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15291 CC(O)C#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15292 CC(C)(O)C#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15293 CCN(CC)CC#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15294 OCCCc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15295 OCC(O)Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
15296 Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
15297 CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
15298 C[C@@H]1CC(=O)NN=C1c1ccc(NC(C)=O)cc1 |r,c:6|
15299 C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1 |r,c:6|
15300 CCOC(=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C |r,t:13|
15301 CC1CC(=O)NN=C1c1ccc(NC(=O)OCc2ccccc2)cc1 |c:6|
15302 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1 |r,c:6,14|
15303 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(C)C(=O)CCC2)cc1 |r,c:6,14|
15304 COc1ccccc1CC1=C(CCCC1=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C |r,t:10,26|
15305 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3C(F)(F)F)C(=O)CCC2)cc1 |r,c:6,14|
15306 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(F)c3)C(=O)CCC2)cc1 |r,c:6,14|
15307 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(Br)c3)C(=O)CCC2)cc1 |r,c:6,14|
15308 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(C)(CC(C)(C3)C1)C2 |r,TLB:34:32:36:26.27.28,34:27:36:32.35.31,10:7:24:2.3,THB:31:32:26:29.36.28,31:29:26:32.35.34,33:32:26:29.36.28,33:32:36:26.27.28|
15309 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)[N+]([O-])=O)C(=O)CCC2)cc1 |r,c:6,14|
15310 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)-c3ccsc3)C(=O)CCC2)cc1 |r,c:6,14|
15311 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)-c3cccc(c3)[N+]([O-])=O)C(=O)CCC2)cc1 |r,c:6,14|
15312 COc1ccc(CC2=C(CCCC2=O)Nc2ccc(cc2)C2=NNC(=O)C[C@H]2C)cc1 |r,t:7,23|
15313 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccc(cc3)[N+]([O-])=O)C(=O)CCC2)cc1 |r,c:6,14|
15314 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1C |c:6,14|
15315 C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2)cc1 |r,c:6|
15316 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)c(C)c1 |c:6,14|
15317 CCc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)CC1C |c:6,t:26|
15318 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F |c:6,14|
15319 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)c(F)c1 |c:6,14|
15320 CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1Cl |c:6,14|
15321 CC1CC(=O)NN=C1c1cc(F)c(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F |c:6,15|
15322 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1 |c:6,14|
15323 Cc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C |c:5,t:25|
15324 Cc1cc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C |c:5,t:27|
15325 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F |c:6,14|
15326 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)cc1F |c:6,14|
15327 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)[N+]([O-])=O)C(=O)CCC2)cc1F |c:6,14|
15328 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3Cl)C(=O)CCC2)cc1F |c:6,14|
15329 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3c(Cl)cccc3Cl)C(=O)CCC2)cc1F |c:6,14|
15330 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3F)C(=O)CCC2)cc1F |c:6,14|
15331 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(F)c3)C(=O)CCC2)cc1F |c:6,14|
15332 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccc(F)cc3)C(=O)CCC2)cc1F |c:6,14|
15333 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)[N+]([O-])=O)C(=O)CCC2)cc1Cl |c:6,14|
15334 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3Cl)C(=O)CCC2)cc1Cl |c:6,14|
15335 CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)c(F)c1F |c:6,14|
15336 CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
15337 C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1 |r,c:6,14|
15338 COc1ccc(cc1)-c1oc2c(CCC(C)C)c(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r|
15339 Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
15340 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C12CC3CC(CC(C3)C1)C2 |r,TLB:29:30:34:28.27.33,33:28:35:32.34.31,33:32:35:28.27.29,11:8:25:2.4.3,THB:29:28:34:35.30.31|
15341 OC(=O)c1sccc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
15343 OC(=O)C1=C(CCC1)C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1 |t:3|
15344 OC(=O)C1=C(CCC1)C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1cccc(OC(F)(F)F)c1 |t:3|
15345 Clc1ccc(NC(=O)c2ccc3ccccc3c2)c(Cl)c1
15346 COC1=C(OC)C(=O)C(C)=CC1=O |c:2,9|
15347 CCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C([O-])=O)c1=O
15348 Fc1ccccc1NC(=O)c1ccc2ccccc2c1
15349 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(Br)c1
15350 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(Cl)c1
15351 CCCC1(CCCCCCC1)N1CCC(CC1)n1c2ccccc2nc(C(O)=O)c1=O
15352 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(F)c(F)c1
15353 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc2ccccc12
15354 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)c(Cl)c1
15355 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1cccc(c1)C(F)(F)F
15356 FC(F)(F)c1ccccc1NC(=O)Nc1cccc2ccccc12
15357 COc1ccccc1NC(=O)Nc1cccc2ccccc12
15358 Clc1ccc(NC(=O)Nc2cccc3cccnc23)cc1
15359 CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28|
15360 OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)NCc1ccc(cc1)-c1c[nH]nc1-c1cc(Cl)c(O)cc1O |(5.91,5.15,;7,6.24,;8.09,5.15,;6.6,7.72,;5.1,7.36,;4.04,8.47,;4.47,9.95,;5.97,10.32,;7.03,9.2,;8.53,9.56,;9.01,11.03,;7.99,12.18,;8.47,13.64,;9.97,13.95,;10.37,15.44,;11,12.8,;10.52,11.34,;11.55,10.19,;11.06,8.73,;12.09,7.58,;11.61,6.12,;12.38,4.79,;10.1,5.81,;9.07,6.95,;9.56,8.42,;2.56,8.05,;2.19,6.55,;1.45,9.11,;-.03,8.69,;-.4,7.19,;.71,6.12,;.34,4.63,;-1.14,4.2,;-2.25,5.27,;-1.88,6.76,;-1.46,2.7,;-.44,1.55,;-1.22,.22,;-2.72,.54,;-2.87,2.08,;-4.21,2.85,;-4.21,4.39,;-5.54,5.16,;-5.54,6.7,;-6.88,4.39,;-8.21,5.16,;-6.88,2.85,;-5.54,2.08,;-5.54,.54,)|
15361 [H][C@@]12C[C@@H](C)OC(=O)c3c(O)cc(O)c(Cl)c3CC(=O)C=CC=C[C@@]1([H])O2 |r,w:22.22,20.20|
15362 CCc1cc(-c2n[nH]c(C)c2-c2ccc3OCCOc3c2)c(O)cc1O
15363 Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1ccc(O)cc1O
15364 Cc1[nH]nc(c1-c1ccc2OCCOc2c1)-c1cc(Cl)c(O)cc1O
15365 COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(O)cc1O
15366 COc1ccc(cc1)-c1c(C)[nH]nc1-c1cc(Br)c(O)cc1O
15367 COc1ccc(cc1)-c1c(C)[nH]nc1-c1cc(Cl)c(O)cc1O
15368 COc1ccc(cc1)-c1c([nH]nc1-c1cc(Cl)c(O)cc1O)C(O)=O
15369 COc1ccc(cc1)-c1c(n[nH]c1C(N)=O)-c1cc(Cl)c(O)cc1O
15370 CNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
15371 CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Br)c(O)cc1O
15372 CCNC(=O)c1[nH]nc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
15373 COc1ccc(cc1)-c1c(n[nH]c1C(=O)NC(C)C)-c1cc(Cl)c(O)cc1O
15374 CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc12
15375 CCCCn1c(Cc2ccc(OC)cc2)nc2c(N)ncnc12
15376 CCCCn1c(Cc2cccc(OC)c2)nc2c(N)ncnc12
15377 CCCCn1c(Cc2ccc3OCOc3c2)nc2c(N)ncnc12
15378 CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)ncnc12
15379 CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc12
15380 COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(Cl)c(OC)c1OC
15381 COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC
15382 COc1ccc(OC)c(Cc2nc3nc(F)nc(N)c3[nH]2)c1
15383 CCCCn1c(Cc2cc(OC)ccc2OC)nc2c(N)nc(F)nc12
15384 COc1ccc(OC)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c1
15385 CCCCn1c(Cc2ccc3OCOc3c2)nc2c(N)nc(F)nc12
15386 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccccc1
15387 Oc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
15388 COc1cccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1
15389 COc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
15390 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccc(Cl)cc1
15391 COc1ccc(cc1)N(C)C(=O)c1c[nH]nc1-c1cc(Cl)c(O)cc1O
15392 CC(=O)Nc1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
15393 CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
15394 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccccc1
15395 COc1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
15396 COc1cccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)c1
15397 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccc(F)cc1
15398 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1cccc(c1)C(F)(F)F
15399 NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
15400 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)NCc1ccco1
15401 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccccn1
15402 Oc1ccc(NS(=O)(=O)c2ccccc2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-1.77,9.84,;-.43,10.61,;.9,9.84,;.9,8.3,;-.43,7.53,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15403 Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-1.77,9.84,;-.43,10.61,;.9,9.84,;2.23,10.61,;.9,8.3,;-.43,7.53,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15404 Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-1.77,9.84,;-.43,10.61,;.9,9.84,;2.23,10.61,;.9,8.3,;-.43,7.53,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15405 Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-1.77,9.84,;-.43,10.61,;.9,9.84,;2.23,10.61,;.9,8.3,;-.43,7.53,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15406 CCc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(2.24,12.15,;2.23,10.61,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-1.77,8.3,;-.43,7.53,;.9,8.3,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-4.43,6.76,;-4.43,5.22,;-5.77,4.45,;-5.77,2.9,;-4.43,2.13,;-4.43,.59,;-3.1,2.9,;-3.1,4.45,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15407 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(3.57,11.38,;2.23,10.61,;3,9.27,;1.46,11.94,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-1.77,8.3,;-.43,7.53,;.9,8.3,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-4.43,6.76,;-4.43,5.22,;-5.77,4.45,;-5.77,2.9,;-4.43,2.13,;-4.43,.59,;-3.1,2.9,;-3.1,4.45,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15408 Oc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-.43,7.53,;.9,8.3,;2.23,7.53,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-3.1,10.61,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15409 Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(c1)-c1c(O)ccc2ccccc12 |(2.23,10.61,;.9,9.84,;-.43,10.61,;-1.77,9.84,;-3.1,10.61,;-1.77,8.3,;-.43,7.53,;.9,8.3,;2.23,7.53,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-4.43,6.76,;-4.43,5.22,;-5.77,4.45,;-5.77,2.9,;-4.43,2.13,;-4.43,.59,;-3.1,2.9,;-3.1,4.45,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15410 Oc1ccc(NS(=O)(=O)c2cccs2)cc1-c1c(O)ccc2ccccc12 |(-4.43,.59,;-4.43,2.13,;-5.77,2.9,;-5.77,4.45,;-4.43,5.22,;-4.43,6.76,;-3.1,7.53,;-3.87,8.86,;-2.33,6.19,;-1.77,8.3,;-2,9.82,;-.63,10.51,;.46,9.42,;-.25,8.05,;-3.1,4.45,;-3.1,2.9,;-1.77,2.13,;-1.77,.59,;-3.1,-.18,;-.43,-.18,;.9,.59,;.9,2.13,;2.23,2.91,;2.23,4.45,;.9,5.22,;-.43,4.45,;-.43,2.91,)|
15411 Fc1ccc(cc1)-c1ncoc1-c1ccncc1
15412 CC(C)n1c2ccc(cc2n(C)c1=O)-c1ocnc1-c1ccc(F)cc1
15413 CC(C)n1nnc2ccc(cc12)-c1ocnc1-c1ccc(F)cc1
15414 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
15415 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]cn1
15416 Cn1c2ccc(cc2n(C)c1=O)-c1nc[nH]c1-c1ccccc1
15417 CCn1c2ccc(cc2n(CC)c1=O)-c1nc[nH]c1-c1ccccc1
15418 Cc1cccc(c1)-c1[nH]cnc1-c1ccc2n(C)c(=O)n(C)c2c1
15419 CCn1c2ccc(cc2n(CC)c1=O)-c1nc[nH]c1-c1cccc(C)c1
15420 Cn1c2ccc(cc2n(C)c1=O)-c1nc[nH]c1-c1ccc(F)cc1
15421 CCn1c2ccc(cc2n(CC)c1=O)-c1nc[nH]c1-c1ccc(F)cc1
15422 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccccc1)-c1cccs1
15423 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccccc1F)-c1cccs1
15424 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(F)c1)-c1cccs1
15425 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccc(F)cc1)-c1cccs1
15426 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccccc1Cl)-c1cccs1
15427 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(Cl)c1)-c1cccs1
15428 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccc(Cl)cc1)-c1cccs1
15429 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(OC(F)(F)F)c1)-c1cccs1
15430 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)-c1cccs1
15431 Cc1ccccc1-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
15432 Cc1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
15433 Cc1ccc(cc1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
15434 CCc1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
15435 CCc1ccc(cc1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
15436 CC(C)c1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccs1
15437 Cc1cccc(c1)-c1[nH]c(nc1-c1ccc2n(C)c(=O)n(C)c2c1)-c1cccnc1
15438 CCn1c2ccc(cc2n(CC)c1=O)-c1nc([nH]c1-c1cccc(C)c1)-c1cccnc1
15439 CCn1c2ccc(cc2n(CC)c1=O)-c1nc([nH]c1-c1cccc(C)c1)C1CCNCC1
15440 Cn1c2ccc(cc2n(C)c1=O)-c1nc([nH]c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
15441 CCn1c2ccc(cc2n(CC)c1=O)-c1cc([nH]c1-c1cccc(C)c1)-c1cccnc1
15442 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1ccc(F)c(C)c1
15443 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1cccc(c1)C(F)(F)F
15444 Cn1c2ccc(cc2n(C)c1=O)-c1c[nH]nc1-c1ccccc1
15445 Cn1c2ccc(cc2n(C)c1=O)-c1n[nH]cc1-c1ccccc1
15446 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1ccccc1
15447 CCn1c2ccc(cc2n(CC)c1=O)-c1n[nH]cc1-c1ccccc1
15448 CCn1c2ccc(cc2n(CC)c1=O)-c1c[nH]nc1-c1cccc(C)c1
15449 CCn1c2ccc(cc2n(CC)c1=O)-c1n[nH]cc1-c1cccc(C)c1
15450 Cc1cccc(c1)-c1nncn1-c1ccc2n(C)c(=O)n(C)c2c1
15451 CCn1c2ccc(cc2n(CC)c1=O)-c1ocnc1-c1cccc(C)c1
15452 CCn1c2ccc(cc2n(CC)c1=O)-n1nnnc1-c1ccc(F)c(C)c1
15453 CCn1c2ccc(cc2n(CC)c1=O)-c1nnnn1-c1ccc(F)c(C)c1
15454 Cc1cccc(c1)-n1cncc1-c1ccc2n(C)c(=O)n(C)c2c1
15455 CCn1c2ccc(cc2n(CC)c1=O)-c1ccnn1-c1cccc(C)c1
15456 CCn1c2ccc(cc2n(CC)c1=O)-c1cccnc1-c1cccc(C)c1
15457 COc1cc(N)nc2[nH]c(c(-c3ccncc3)c12)-c1ccc(F)cc1
15458 COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
15459 C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r|
15460 Cc1cccc(c1)-c1[nH]c2nc(N)ccc2c1-c1ccc2n(C)c(=O)n(C)c2c1
15461 CCn1c2ccc(cc2n(CC)c1=O)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
15462 CCn1c2ccc(cc2n(CC)c1=O)-c1c(nc(C2CCNCC2)n1C)-c1cccc(C)c1
15463 C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccccc1 |r|
15464 C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r|
15465 C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)c(F)c1 |r|
15466 C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccccc1F |r|
15467 C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(Cl)cc1 |r|
15468 CC(CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(C)cc1
15469 C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccsc1 |r|
15470 C[C@H](COc1ccc(cc1)C(N)=O)NCC(=O)c1ccsc1 |r|
15471 NC(=O)c1ccc(OCC2(CCCC2)NCC(=O)c2ccsc2)cc1
15472 N[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1Cl |r|
15473 CC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|
15474 Cc1ccc(cc1)S(=O)(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|
15475 CCNC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|
15476 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(=O)NCc1cccc(F)c1 |r|
15477 CCN(C)C(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|
15478 COc1cccc(CN(C)C(=O)N2C[C@H](N)[C@H](C2)c2ccc(Cl)cc2Cl)c1 |r|
15479 CCOC(=O)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|
15480 Cc1cccc(COC(=O)N2C[C@H](N)[C@H](C2)c2ccc(Cl)cc2Cl)n1 |r|
15481 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 |r|
15482 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccccn1 |r|
15483 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ncccn1 |r|
15484 COc1ccc(cc1)-c1cnc(nc1)N1C[C@H](N)[C@H](C1)c1ccc(Cl)cc1Cl |r|
15485 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1nccc(n1)-c1ccccc1 |r|
15486 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1nccc(n1)-c1ccsc1 |r|
15487 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1ccnc(n1)-c1ccsc1 |r|
15488 N[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)c1cc(ncn1)-c1ccsc1 |r|
15489 N[C@H]1CN(C[C@@H]1c1ccc(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r|
15490 N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1Cl)c1cc(ncn1)-c1ccsc1 |r|
15491 N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccsc1 |r|
15492 N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|
15494 N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)C(O)=O |r|
15495 N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccc(cc1)C(O)=O |r|
15496 CN(C)C(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|
15497 N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1cccc(c1)S(=O)(=O)N1CCOCC1 |r|
15498 CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|
15499 CS(=O)(=O)c1cc(F)cc(c1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|
15500 CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F |r|
15501 N[C@H]1CN(C(=O)C[C@@H]1c1ccccc1Cl)c1ccccc1 |r|
15502 N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1Cl |r|
15503 N[C@H]1CN(CC2CCCCC2)C(=O)C[C@@H]1c1ccccc1Cl |r|
15504 N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15505 N[C@H]1CN(CCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15506 N[C@H]1CN(CCCc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15507 C[C@H](CN1C[C@H](N)[C@H](CC1=O)c1cc(F)c(F)cc1F)c1ccccc1 |r|
15508 N[C@H]1CN(CCN2CCOCC2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15509 N[C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15510 N[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15512 N[C@@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@H]1c1cc(F)c(F)cc1F |r|
15513 CS(=O)(=O)c1ccc(CCN2C[C@H](N)[C@H](CC2=O)c2cc(F)c(F)cc2F)cc1 |r|
15514 CS(=O)(=O)c1cccc(CCN2C[C@H](N)[C@H](CC2=O)c2cc(F)c(F)cc2F)c1 |r|
15515 N[C@H]1CN(CCc2cccc(c2)C(O)=O)C(=O)C[C@@H]1c1cc(F)c(F)cc1F |r|
15516 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1 |r|
15517 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)-c1ccccc1 |r|
15518 CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
15519 CS(=O)(=O)c1cccc(c1)-c1ncnc(n1)N1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r|
15520 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCCC1 |r|
15521 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCCCC1 |r|
15522 CCN(CC)c1cc(ncn1)N1CC[C@H]([C@H](N)C1)c1cc(F)c(F)cc1F |r|
15523 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCC(F)(F)C1 |r|
15524 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CC[C@@H](O)C1 |r|
15525 N[C@H]1CN(CC[C@@H]1c1cc(F)c(F)cc1F)c1cc(ncn1)N1CCn2cc(nc2C1)C(F)(F)F |r|
15526 O=C(NC[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)c1cscn1
15527 CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)cc1)-c1cc(Cl)c(O)cc1O |(4.42,-.65,;3.52,.6,;1.99,.45,;1.09,1.7,;1.73,3.1,;-.44,1.55,;-1.22,.22,;-2.72,.54,;-2.87,2.08,;-1.46,2.7,;-1.14,4.2,;.34,4.63,;.71,6.12,;-.4,7.19,;-.03,8.69,;1.45,9.11,;2.56,8.05,;2.19,6.55,;4.04,8.47,;4.47,9.95,;5.97,10.32,;7.03,9.2,;6.6,7.72,;5.1,7.36,;7,6.24,;5.91,5.15,;8.09,5.15,;8.53,9.56,;9.01,11.03,;7.99,12.18,;8.47,13.64,;9.97,13.95,;10.37,15.44,;11,12.8,;10.52,11.34,;11.55,10.19,;11.06,8.73,;12.09,7.58,;11.61,6.12,;12.38,4.79,;10.1,5.81,;9.07,6.95,;9.56,8.42,;-1.88,6.76,;-2.25,5.27,;-4.21,2.85,;-4.21,4.39,;-5.54,5.16,;-5.54,6.7,;-6.88,4.39,;-8.21,5.16,;-6.88,2.85,;-5.54,2.08,;-5.54,.54,)|
15528 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@H](C3)NC(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:30:2.3|
15529 CCN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
15530 COC(=O)CN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
15531 C[C@H]1N(CCCN(CC(O)=O)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
15532 C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r|
15534 C[C@H]1N(CCCN(C)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15535 C[C@H]1N(CCCN(CCO)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15536 C[C@H]1N(CCCN(CCOCc2ccccc2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15537 C[C@H]1N(CCCN(CC(F)(F)F)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15538 C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15539 C[C@H]1N(CCCN(C1=O)C(C)(C)C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15540 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(Nc3cnccc3C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
15541 CC1CCNC(=O)CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15543 C[C@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15544 C[C@@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15545 C[C@@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15546 C[C@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15547 CC[C@H]1N(C[C@@H](C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15548 CC[C@H]1N(C[C@H](C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15549 C[C@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15550 C[C@@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15551 C[C@H]1N(CC(C)(C)CNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15552 C[C@@H]1CCN([C@H](CC(F)(F)F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15553 C[C@@H]1CCN([C@H](Cc2ccccc2C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15554 C[C@@H]1CCN([C@H](Cc2ccccc2F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15555 C[C@@H]1CCN([C@H](Cc2ccccn2)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15556 C[C@H]1N(CC[C@@H](NC1=O)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15557 CC[C@@H]1CCN([C@H](C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15558 C[C@H]1N(CC[C@@H](Cc2ccccc2F)NC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
15559 CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1)C(O)=O |r|
15560 CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2c(F)c(F)c(F)c(F)c2F)cc1)C(O)=O |r|
15561 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(Cl)ccc1F |r|
15562 CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2C)cc1)C(O)=O |r|
15563 N[C@@H](CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(CC(O)=O)cc1)Cc1ccccc1F |r|
15564 N[C@@H](CC(=O)N1CCSC1)Cc1cc(F)c(F)cc1F |r|
15565 COC(=O)Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)cc1 |r|
15566 F[C@H]1CCN(C1)C(=O)[C@@H]1Cc2ccc(cc2CN1)-c1cccc(c1)-c1nnn[nH]1 |r|
15567 C[C@@H]([C@@H](C(=O)N(C)C)c1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |r|
15568 N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F |r|
15569 N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(F)(F)F)Cc1ccccc1F |r|
15570 CSc1cc(F)c(C[C@@H](N)CC(=O)N2CCn3c(C2)nnc3C(F)(F)F)cc1F |r|
15571 COc1cc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)ccc1O |r|
15572 [H][C@]1(CCN(C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](N)C(=O)N1CCC(F)(F)C1 |r|
15573 N[C@@H](CC(=O)N1CCN(CC1)c1ccc(Cl)cc1)Cc1ccccc1F |r|
15574 N[C@@H](CC(=O)N1CCn2nccc12)Cc1cc(F)ccc1F |r|
15575 N[C@@H](CC(=O)N1CCn2cc(nc2C1c1ccc(F)cc1)C(F)(F)F)Cc1ccc(F)c(F)c1 |r|
15576 CN(C)C(=O)[C@@H]([C@@H](N)C(=O)N1CC[C@H](F)C1)c1ccc(cc1)-c1ccc(F)cc1 |r|
15577 N[C@H](Cc1cc(F)c(F)cc1F)C(CC=C)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r|
15578 N[C@@H](CC(=O)N1CCN(CC1)C(=O)COC=C)Cc1ccccc1F |r|
15579 C[C@H](Cc1ccccc1)N(C)CC#C |r|
15580 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(N3CC[C@H](C3)N(C)C(O)=O)c1=O)N2C1CCCCCCC1 |r,TLB:10:7:31:2.3|
15581 CN(CCCOc1ccc(Cl)cc1Cl)CC#C
15582 O=C(Nc1ccccc1)c1ccc[nH]1
15583 O=C(NCc1ccccc1)c1ccc[nH]1
15584 CN(Cc1ccccc1)C(=O)c1ccc[nH]1
15585 O=C(NCCc1ccccc1)c1ccc[nH]1
15586 CN(CCc1ccccc1)C(=O)c1ccc[nH]1
15587 O=C(NCCCc1ccccc1)c1ccc[nH]1
15588 CN(CCCc1ccccc1)C(=O)c1ccc[nH]1
15589 O=C(NCCCCc1ccccc1)c1ccc[nH]1
15590 CN(CCCCc1ccccc1)C(=O)c1ccc[nH]1
15591 C(NCc1ccccc1)c1ccc[nH]1
15592 CN(Cc1ccc[nH]1)Cc1ccccc1
15593 Cn1cccc1CNCc1ccccc1
15594 CN(Cc1cccn1C)Cc1ccccc1
15595 C(Cc1ccccc1)NCc1ccc[nH]1
15596 CN(CCc1ccccc1)Cc1ccc[nH]1
15597 CN(CCCc1ccccc1)Cc1ccc[nH]1
15598 CN(CCCCc1ccccc1)Cc1ccc[nH]1
15599 CC(NC(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
15600 CC(N(C)C(=O)c1ccc[nH]1)c1ccccc1 |w:1.0|
15601 CC(N(C)Cc1ccc[nH]1)c1ccccc1 |w:1.0|
15602 C[C@@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
15603 C[C@H](NC(=O)c1ccc[nH]1)C1CCCCC1 |r|
15604 C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
15605 C[C@@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r|
15606 C[C@H](C1CCCCC1)N(C)Cc1ccc[nH]1 |r|
15607 O=C(NCC#C)c1ccc[nH]1
15608 CN(CC#C)C(=O)c1ccc[nH]1
15609 CN(CC#C)C(=O)c1cccn1C
15610 C#CCNCc1ccc[nH]1
15611 CN(CC#C)Cc1ccc[nH]1
15612 CN(CC#C)Cc1cccn1C
15613 Clc1ccc(cc1)C(=O)NCCN1CCOCC1
15614 CN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1ccccc1
15615 CCN(C)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
15616 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCCC1
15617 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCOCC1
15618 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCC1CCCO1
15619 CCN1CCCC1CNC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
15620 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)Nc1ccccc1
15621 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccccc1
15622 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1cccnc1
15623 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCc1ccncc1
15624 CN(Cc1ccccc1)C(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
15625 Fc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1F
15626 COc1ccc(CNC(=O)c2cc(c[nH]2)-c2n[nH]cc2-c2cccc(Cl)c2)cc1
15627 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)N1CCc2ccccc2C1
15628 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NCCc1cccnc1
15629 Clc1cccc(c1)-c1c[nH]nc1-c1c[nH]c(c1)C(=O)NOCc1ccccc1
15630 C[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
15631 C[C@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
15632 OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
15633 OC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
15634 NC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
15635 CNC(=O)[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 |r|
15636 OC1Cc2ccccc2C1NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1
15637 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)cc1
15638 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(Cl)cc1
15639 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F
15640 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1F
15641 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cccc(F)c1
15642 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(F)c1
15643 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1
15644 OCC(NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1
15645 OC[C@@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 |r|
15646 OC[C@H](NC(=O)c1cc(c[nH]1)-c1n[nH]cc1-c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 |r|
15647 O=C(Nc1ccccc1)C1CN(C2CCCCC2)C(=O)C1
15648 CCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
15649 COC(=O)c1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
15650 Brc1ccccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
15651 Brc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15652 Brc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
15653 Clc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15654 Clc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
15655 Ic1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15656 Ic1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
15657 Cc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15658 FC(F)(F)c1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15659 [O-][N+](=O)c1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15660 CC(=O)Nc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15661 CC(C)Cc1cccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15663 CC(=O)Nc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
15664 CC(=O)c1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
15665 CCOc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
15666 O=C(Nc1ccc(Oc2ccccc2)cc1)C1CN(C2CCCCC2)C(=O)C1
15667 Clc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c(Cl)c1
15668 Clc1ccc(Cl)c(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15669 Cc1ccc(Cl)cc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
15670 Cc1cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)ccc1Br
15671 Cc1cccc(C)c1NC(=O)C1CN(C2CCCCC2)C(=O)C1
15672 Cc1ccc(C)c(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15673 Cc1cc(C)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15674 Cc1c(Cl)cccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
15675 Cc1cc(ccc1NC(=O)C1CN(C2CCCCC2)C(=O)C1)[N+]([O-])=O
15676 Fc1cc(F)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15677 Clc1cc(Cl)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15678 FC(F)(F)c1cc(Br)cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)c1
15679 COc1cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc(c1)C(F)(F)F
15680 FC(F)(F)c1cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc(c1)C(F)(F)F
15681 COc1ccc(Cl)cc1NC(=O)C1CN(C2CCCCC2)C(=O)C1
15682 Fc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1Cl
15683 Cc1ccc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1Br
15684 O=C(Nc1ccc2OCCOc2c1)C1CN(C2CCCCC2)C(=O)C1
15685 O=C(Nc1cccc(c1)-c1ccccc1)C1CN(C2CCCCC2)C(=O)C1
15686 O=C(Nc1cccc(Cc2ccccc2)c1)C1CN(C2CCCCC2)C(=O)C1
15687 CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCC2)C(=O)C1
15688 O=C(Nc1cccc-2c1Cc1ccccc-21)C1CN(C2CCCCC2)C(=O)C1
15689 O=C(Nc1cccc(OCc2ccccc2)c1)C1CN(C2CCCCC2)C(=O)C1
15690 Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1
15691 CCn1c2ccccc2c2cc(NC(=O)C3CN(C4CCCCC4)C(=O)C3)ccc12
15692 Cc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1
15693 Fc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccccc1
15694 Fc1ccc(cc1)C(N1CCN(CC1)C(=O)C1CN(C2CCCCC2)C(=O)C1)c1ccc(F)cc1
15695 Clc1cccc(NC(=O)C2CN(C(=O)C2)c2ccccc2)c1
15696 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc(Cl)c1
15697 CCCOc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc(Cl)c1
15698 Cc1c(Cl)cccc1NC(=O)C1CN(C(=O)C1)c1ccccc1
15699 Cc1c(Cl)cccc1NC(=O)C1CN(C(=O)C1)c1cccc(c1)[N+]([O-])=O
15700 Cc1c(Cl)cccc1NC(=O)C1CN(C(=O)C1)c1ccc(Br)cc1
15701 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc(Cl)c1C
15702 CC(C)Oc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc(Cl)c1C
15703 Brc1cccc(NC(=O)C2CN(C(=O)C2)c2ccccc2)c1
15704 Fc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc(Br)c1
15705 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cccc(Br)c1
15706 Cc1ccc(cc1C)N1CC(CC1=O)C(=O)Nc1cccc(Br)c1
15707 O=C(Nc1cccc(c1)-c1ccccc1)C1CN(C2CC3CCC2C3)C(=O)C1 |THB:17:18:21.22:24|
15708 CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CC3CCC2C3)C(=O)C1 |THB:21:22:25.26:28|
15709 Oc1c(cc(NC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1-c1ccccc1)-c1ccccc1
15710 CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCCC2)C(=O)C1
15711 Oc1c(cc(NC(=O)C2CN(C3CCCCCC3)C(=O)C2)cc1-c1ccccc1)-c1ccccc1
15712 CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCCCC2)C(=O)C1
15713 Oc1c(cc(NC(=O)C2CN(C3CCCCCCC3)C(=O)C2)cc1-c1ccccc1)-c1ccccc1
15714 Nc1c(cnn1-c1ccccc1)C(=O)c1ccccc1
15715 O=C(c1cnn(c1C#N)-c1ccccc1)c1ccccc1
15716 Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1
15717 CO\N=C(/c1cnn(c1N)-c1ccccc1)c1ccccc1
15718 Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
15719 Nc1c(cnn1-c1cccc(c1)[N+]([O-])=O)C(=O)c1ccccc1
15720 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccccc1
15721 Nc1c(cnn1-c1cccc(F)c1)C(=O)c1ccccc1
15722 Nc1c(cnn1-c1ccccc1F)C(=O)c1ccccc1
15723 COc1ccc(cc1)-n1ncc(C(=O)c2ccccc2)c1N
15724 COc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N
15725 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCOCC2)c1
15726 CN1CCN(CC1)c1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
15727 NCCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
15728 CN1CCN(CCc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
15729 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#N
15730 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#N
15731 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCO
15732 CN(C)CC#Cc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
15733 CN1CCN(CC#Cc2cccc(c2)C(=O)c2cnn(c2N)-c2ccc(F)cc2)CC1
15734 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCCCC1
15735 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C#CCN1CCOCC1
15736 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)C#CCN1CCOCC1
15737 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCCN2CCOCC2)c1
15738 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(CCCN2CCOCC2)cc1
15739 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OCCN2CCCCC2)c1
15740 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1cccnc1
15741 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cccnc1
15742 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)-c1ccncc1
15743 Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1ccncc1
15744 Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1cccnc1
15745 Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(Oc2cccnc2)c1
15746 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCO)c1
15747 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCS(N)(=O)=O)c1
15748 CS(=O)(=O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
15749 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(CCC2(O)CCCC2)c1
15750 CC(C)(O)CCc1cccc(c1)C(=O)c1cnn(c1N)-c1ccc(F)cc1
15751 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C(O)CO
15752 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(c1)C(O)(CO)CO
15753 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@H](O)CO)c1 |r|
15754 Nc1c(cnn1-c1ccc(F)cc1)C(=O)c1cccc(OC[C@@H](O)CO)c1 |r|
15756 Fc1ccc(cc1)-c1c([nH]c2cccnc12)-c1ccncc1
15757 Fc1ccc(cc1)-c1c([nH]c2ccncc12)-c1ccncc1
15758 Fc1ccc(cc1)-c1c([nH]c2ccccc12)-c1ccncc1
15759 Fc1ccc(cc1)-c1c([nH]c2nccnc12)-c1ccncc1
15760 Fc1ccc(cc1)-c1c([nH]c2cncnc12)-c1ccncc1
15761 Nc1ncnc2n(c(cc12)-c1ccncc1)-c1ccc(F)cc1
15762 Fc1ccc(cc1)-c1c(oc2cccnc12)-c1ccncc1
15763 COn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15764 COC(C)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15765 CCn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15766 Cn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15767 CC(O)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15768 CC(N1CCOCC1)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15769 CC(N1CCCC1)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15770 CC(N1CCCCC1)n1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15771 OC(=O)Cn1c(c(-c2ccc(F)cc2)c2ncccc12)-c1ccncc1
15772 OCCCCNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1
15773 C[C@H](O)CNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1 |r|
15774 C[C@@H](O)CNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1 |r|
15775 CCC(O)CNc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1
15776 CC(CO)Nc1cc(ccn1)-c1[nH]c2cccnc2c1-c1ccc(F)cc1
15777 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(C)(C)CC(C)(C)C |r,TLB:10:7:24:2.3|
15778 Nc1cccc(CCc2ccccc2)n1
15779 Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
15780 COc1cccc(c1)-c1cccc(CCc2cccc(N)n2)c1
15781 Nc1ncccc1NCc1ccccc1
15782 Nc1ncccc1NCc1cccc(c1)-c1cccnc1
15783 COc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
15784 CCCOc1cncc(c1)-c1cccc(CNc2cccnc2N)c1
15785 Nc1ncccc1NCc1cccc(c1)-c1ccc2cc[nH]c2c1
15786 Nc1ncccc1NCc1cc(ccc1OCc1ccccc1)-c1ccc2cc[nH]c2c1
15787 Nc1ncccc1NCc1cc(ccc1OCc1ccccn1)-c1ccc2cc[nH]c2c1
15788 Fc1ccc(CC2CCNCC2)cc1
15789 Cc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1
15790 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C |r|
15791 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
15792 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
15793 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H](C)C(=O)NCC(C)C |r|
15794 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@H](C)C(=O)NCC(C)C |r|
15795 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)C(=O)NCC(C)C |r|
15796 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1ccccc1 |r|
15797 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 |r|
15798 CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1 |r|
15799 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r|
15800 CC(C)[C@H](NC(=O)CC[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
15801 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
15802 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccncc1 |r|
15803 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCC[C@H](N)C(=O)N[C@@H](C)C(=O)N1)C(=O)NCc1ccccc1 |r|
15804 CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCN([C@@H](C)C(=O)N1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccncc1 |r|
15805 CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC[C@H](NC(=O)[C@@H]1C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1 |r|
15806 CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(cc2)[N+]([O-])=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
15807 CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(Cl)cc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
15808 CCc1cc(CC(NC(C)=O)C(=O)NCc2ccc(OC)cc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
15809 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
15810 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NCCc2ccccc2)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
15811 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)NC(Cc2ccccc2)C(N)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
15812 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15813 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](C2CCCCC2)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15814 CCC(C)[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O |r|
15815 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15816 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCCCN)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15817 CCCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O |r|
15818 CCSCC[C@H](NC(=O)CCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O)C(O)=O |r|
15819 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15820 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCS(C)(=O)=O)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15821 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15822 CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@H](CCSC)C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O |r|
15823 CN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15824 CCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15825 CCCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15826 CCC(CC)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15827 CC(C)CN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15828 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CC2)no1
15829 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CCCC2)no1
15830 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CCCCC2)no1
15831 CC(C)NC1CCN(CC1)C(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15832 CC(C)N1CCC(CNC(=O)c2cc3ccccc3n2Cc2cc(on2)-c2ccc(Cl)s2)CC1
15833 OCCN1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15834 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C2CCOCC2)no1
15835 CC(=O)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15836 CS(=O)(=O)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15837 NC(=O)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15838 CC(C)N1CC[C@@H](C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 |r|
15839 CC(C)N1CC[C@H](C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1 |r|
15840 CC(C)N1CC(C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15841 CC(C)CN1CC(C1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)s1
15842 CC(C)N1CC(CNC(=O)c2cc3ccccc3n2Cc2cc(on2)-c2ccc(Cl)s2)C1
15843 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)c2ccncc2)no1
15844 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CCN(CC2)c2ccncn2)no1
15845 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NCC2CCN(CC2)c2ccncc2)no1
15846 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)N2CCC(CC2)Nc2ccncc2)no1
15847 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)N2CCC(CC2)Oc2ccncc2)no1
15848 Clc1ccc(s1)-c1cc(Cn2c(cc3ccccc23)C(=O)NC2CN(C2)c2ccncc2)no1
15849 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1-c1ccc(Cl)cc1
15850 COc1cccc(c1)-n1c(cc2ccccc12)C(=O)NC1CCN(CC1)C(C)C
15851 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1-c1cccc(Cl)c1
15852 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)cc1
15853 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cccc(Cl)c1
15854 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CCc1ccc(Cl)cc1
15855 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CCc1ccc(Cl)cc1Cl
15856 COc1cccc(CCn2c(cc3ccccc23)C(=O)NC2CCN(CC2)C(C)C)c1
15857 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc2ccc(Cl)cc2s1
15858 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(on1)-c1ccc(Cl)cc1
15859 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(no1)-c1ccc(Cl)cc1
15860 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1nc(no1)-c1ccc(Cl)cc1
15861 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cnc(s1)-c1ccc(Cl)cc1
15862 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cc(no1)-c1ccc(Cl)s1
15863 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1nnc(s1)-c1ccc(Cl)s1
15864 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1Cc1cnc(s1)-c1ccc(Cl)s1
15865 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)s1
15866 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1cccc(Cl)c1
15867 CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cn1
15868 Cc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15869 Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(F)(F)F
15870 Cc1nn(C)c2n(O)c3ccc(Br)cc3c(=O)c12
15871 Cn1nc(c2c1n(O)c1ccc(Cl)c(Cl)c1c2=O)C(F)(F)F
15872 Cn1nc(c2c1n(O)c1cc(Cl)c(Cl)cc1c2=O)C(F)(F)F
15873 COc1cc(Cl)cc2c1n(O)c1n(C)nc(c1c2=O)C(F)(F)F
15874 CN(C)c1cc2n(O)c3n(C)nc(c3c(=O)c2cc1Cl)C(F)(F)F
15875 Cc1nn(C)c2n(O)c3ccccc3c(=O)c12
15876 Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1ccccc1
15877 Cc1nn(C)c2n(O)c3ccc(cc3c(=O)c12)-c1cc[nH]n1
15878 COn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
15879 CCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
15880 CCCOn1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
15881 CC(C)On1c2n(C)nc(C)c2c(=O)c2cc(Cl)ccc12
15882 Cc1nn(C)c2n(OC3CCCC3)c3ccc(Cl)cc3c(=O)c12
15883 Cc1nn(C)c2n(OCc3ccccc3)c3ccc(Cl)cc3c(=O)c12
15884 Cc1nn(C)c2nc3ccc(Cl)cc3c(O)c12
15885 CCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15886 CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15887 CCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15888 CC(C)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15889 Cn1nc(c2c1n(O)c1ccc(Cl)cc1c2=O)C(C)(C)C
15890 COC(=O)c1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15891 Cn1nc(-c2ccc(N)cc2)c2c1n(O)c1ccc(Cl)cc1c2=O
15892 COCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15893 Cn1nc(CCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O
15894 Cn1nc(CCCC(O)=O)c2c1n(O)c1ccc(Cl)cc1c2=O
15895 Cn1nc(CCN)c2c1n(O)c1ccc(Cl)cc1c2=O
15896 CNC(=O)CCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15897 CC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15898 CCNC(=O)NCCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15899 CCOC(=O)NCCc1nn(C)c2n(O)c3ccc(Cl)cc3c(=O)c12
15900 Cc1nn(CC(O)=O)c2n(O)c3ccc(Cl)cc3c(=O)c12
15901 CCOC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
15902 CNC(=O)Cn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
15903 Cc1nn(CCO)c2n(O)c3ccc(Cl)cc3c(=O)c12
15904 CCn1nc(C)c2c1n(O)c1ccc(Cl)cc1c2=O
15905 Cc1nn(-c2ccccc2)c2n(O)c3ccc(Cl)cc3c(=O)c12
15906 Cn1n2c(CCNC2=O)c2c1[n+]([O-])c1ccc(Cl)cc1c2=O
15907 CCOc1nc(NC(C)=O)cc(N)c1C#N
15908 CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
15909 CCOc1nc(cc(N)c1C#N)C(=O)NCc1cc(OC)ccc1OC
15910 CCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N
15911 CCOc1nc(cc(N)c1C#N)C(=O)NC
15912 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1
15913 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
15914 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccccc1S(N)(=O)=O
15915 CCOc1nc(cc(N)c1C#N)C(=O)NCc1cccnc1
15916 CCOc1nc(cc(N)c1C#N)C(=O)NCc1ccc(nc1)-c1ccc(cc1)C(O)=O
15917 CCOc1nc(cc(N)c1C#N)C(=O)N(C)Cc1ccc(cc1)S(C)(=O)=O
15918 CCOc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
15919 CC(C)Oc1nc(cc(N)c1Cl)C(=O)NCc1ccc(cc1)S(C)(=O)=O
15920 CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(Cl)n2)cc1
15921 CCOc1nc(ccc1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O
15922 CCOc1nc(ccc1C#N)C(=O)NCc1cc(OC)ccc1OC
15923 CCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
15924 CCOc1nc(NC(=O)C(C)C)cc(N)c1C#N
15925 CCOc1nc(NC(=O)CC(C)C)cc(N)c1C#N
15926 CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N
15927 CCOc1nc(NC(=O)Cc2ccccc2Cl)cc(N)c1C#N
15928 CCOc1nc(NC(=O)Cc2cccc(Cl)c2)cc(N)c1C#N
15929 CCOc1nc(NC(=O)Cc2ccc(Cl)cc2)cc(N)c1C#N
15930 CCOc1nc(NC(=O)Cc2ccccc2C)cc(N)c1C#N
15931 CCOc1nc(NC(=O)Cc2cccc(C)c2)cc(N)c1C#N
15932 CCOc1nc(NC(=O)Cc2ccc(C)cc2)cc(N)c1C#N
15933 CCOc1nc(NC(=O)Cc2ccccc2OC)cc(N)c1C#N
15934 CCOc1nc(NC(=O)Cc2cccc(OC)c2)cc(N)c1C#N
15935 CCOc1nc(NC(=O)Cc2ccc(OC)cc2)cc(N)c1C#N
15936 CCOc1nc(NC(=O)Cc2cc(C)ccc2C)cc(N)c1C#N
15937 CCOc1nc(NC(=O)Cc2cc(Br)ccc2Br)cc(N)c1C#N
15938 CCOc1nc(NC(=O)Cc2cc(OC)c(NC(C)=O)cc2OC)cc(N)c1C#N
15939 CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1C#N
15940 CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N
15941 CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)[N+]([O-])=O)cc(N)c1C#N
15942 CCOc1nc(NC(=O)OC)cc(N)c1C#N
15943 CCNC(=O)Nc1cc(N)c(C#N)c(OCC)n1
15944 CCOc1nc(NCCc2cc(OC)ccc2OC)cc(N)c1C#N
15945 CCOc1nc(NC(=O)CN(CC)CC)cc(N)c1C#N
15946 CCCCN(CCCC)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1
15947 CCCCNCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
15948 CCCN(CCO)CC(=O)Nc1cc(N)c(C#N)c(OCC)n1
15949 CCOc1nc(NC(=O)CN2CCCCC2)cc(N)c1C#N
15950 CCOc1nc(NC(=O)CN2CCOCC2)cc(N)c1C#N
15951 CCOc1nc(NC(=O)CN2CCC(O)CC2)cc(N)c1C#N
15952 CCCCNC(=O)C1CCN(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)CC1
15953 CCOc1nc(NC(=O)CN2CCC(CC2)C(=O)NC(C)C)cc(N)c1C#N
15954 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(Br)n2)c1
15955 CC(C)Oc1nc(NC(C)=O)cc(N)c1C#N
15956 COc1cc(c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1)S(C)(=O)=O
15957 CN(C)CCOc1nc(NC(C)=O)cc(N)c1C#N
15958 CC(=O)Nc1cc(N)c(C#N)c(OCCC(O)=O)n1
15959 CC(=O)Nc1cc(N)c(C#N)c(OC2CCOC2)n1
15960 CCCCOc1nc(NC(C)=O)cc(N)c1C#N
15961 COc1nc(NC(C)=O)cc(N)c1C#N
15962 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCO)n2)c1
15963 COCCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N
15964 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(C#N)c(OCCS(C)(=O)=O)n2)c1
15965 CCCCSc1nc(NC(C)=O)cc(N)c1C#N
15966 CCNc1nc(NC(C)=O)cc(N)c1C#N
15967 CC(C)Nc1nc(NC(C)=O)cc(N)c1C#N
15968 CC(=O)Nc1cc(N)c(C#N)c(n1)-c1ccccc1
15969 CCCc1nc(NC(C)=O)cc(N)c1C#N
15970 COc1ccc(OC)c(CC(=O)Nc2cc(N)c(cn2)C#N)c1
15971 CCOc1nc(NC(C)=O)cc(C)c1C#N
15972 CCOc1cccc(NC(C)=O)n1
15973 CCOc1cc(NC(C)=O)nc(N)c1C#N
15974 CCCCC(=O)Nc1nc(OCC)c(C#N)c(N)c1Cl
15975 CCCCC(=O)N(C)c1cc(N)c(C#N)c(OCC)n1
15976 CCOc1nc(NC(=O)Cc2cc(OC)c(cc2OC)S(C)(=O)=O)cc(N)c1Cl
15977 CCCCOc1nccc(Nc2ccccc2C(O)=O)n1
15978 NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
15979 CCOc1nccc(Nc2ccccc2C(O)=O)n1
15980 CCCOc1nccc(Nc2ccccc2C(O)=O)n1
15981 CCCCCOc1nccc(Nc2ccccc2C(O)=O)n1
15982 CCCCCCOc1nccc(Nc2ccccc2C(O)=O)n1
15983 CC(C)COc1nccc(Nc2ccccc2C(O)=O)n1
15984 OC(=O)c1ccccc1Nc1ccnc(OCC2CCCCC2)n1
15985 OC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)n1
15986 CCCCNc1nccc(Nc2ccccc2C(O)=O)n1
15987 OC(=O)c1ccccc1Nc1ccnc(NCc2ccccc2)n1
15988 OC(=O)c1ccccc1Nc1ccnc(NC2CCCCC2)n1
15989 OC(=O)c1ccccc1Nc1ccnc(n1)N1CCCCCC1
15990 CCN(CC)c1nccc(Nc2ccccc2C(O)=O)n1
15991 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
15992 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2O)n1
15993 OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1
15994 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(O)cc2)n1
15995 NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
15996 OC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2F)n1
15997 OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1
15998 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(F)cc2)n1
15999 Cc1cccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)c1
16000 Cc1ccc(Nc2nccc(Nc3ccccc3C(O)=O)n2)cc1F
16001 Cc1c(O)cccc1Nc1nccc(Nc2ccccc2C(O)=O)n1
16002 OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(c2)C(F)(F)F)n1
16003 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
16004 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)[N+]([O-])=O)n1
16005 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
16006 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1
16007 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3[nH]ncc3c2)n1
16008 OC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ncccc3c2)n1
16009 OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2ccccc2)n1
16010 OC(=O)c1cc2ccccc2cc1Nc1ccnc(Nc2cccc(O)c2)n1
16011 OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1F
16012 OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1F
16013 OC(=O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Br
16014 OC(=O)c1ccccc1Nc1nc(Nc2cccc(O)c2)ncc1Br
16015 CCCn1c(nc(c1-c1ccnc(NC2CC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1
16016 CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1
16017 Oc1ccc(cc1)-c1cnc2ccc3ccncc3c2c1
16018 O=C1c2ccccc2-c2n[nH]c3cccc1c23
16019 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:11:8:25:2.4.3|
16020 CNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
16021 CCC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
16022 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)Cc1ccccc1)S(C)(=O)=O |r|
16023 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)Cc1ccccc1)S(C)(=O)=O |r|
16024 CN(c1cc(cc(c1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16025 CN(c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(O)c1ccccc1)S(C)(=O)=O |r|
16026 CN(c1cc(cc(c1)C(=C)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16027 CN(c1cc(Cc2ccccc2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16028 CN(c1cc(cc(c1)C(=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16029 CC(C)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O |r|
16030 CN(c1cc(cc(c1)C(=O)C1CCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16031 CN(c1cc(\C=C\C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16032 CN(c1cc(\C=C/C2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16033 CN(c1cc(CCC2CC2)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)S(C)(=O)=O |r|
16034 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r|
16035 C[C@@H](NC(=O)c1cc(cc(c1)C1=NC(CO)(Cc2ccccc2)CO1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r,t:12|
16036 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)OCC(N)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16037 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)NC(CO)(CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16038 C[C@@H](NC(=O)c1cc(COC[C@@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16039 C[C@@H](NC(=O)c1cc(COC[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16040 C[C@@H](NC(=O)c1cc(COC(=O)[C@](C)(N)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16041 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)(N)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16042 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)C(=O)N(CC=C)CC=C)c1ccccc1 |r|
16043 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(c1)-c1ccccc1C#N)c1ccccc1 |r|
16044 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 |r|
16045 C[C@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccccc1 |r|
16046 C[C@@H](NC(=O)c1cc(OCC(=O)NCCCCCN)cc(OS(=O)(=O)Cc2ccccc2)c1)c1ccc(F)cc1 |r|
16047 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
16048 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(O)=O |r|
16049 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C |r|
16050 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C |r|
16051 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C |r|
16052 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16053 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16054 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16055 [H][C@]1(CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16056 [H][C@]1(CCC[C@H]1C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16057 [H][C@]1(CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16058 [H][C@]1(CN(C)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16059 [H][C@]1(CN(CC)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16060 [H][C@]1(CC(=O)N(C)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16061 [H][C@]1(CCO[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16062 [H][C@]1(CC(=O)C[C@H]1C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16063 [H][C@]1(CC(=C)C[C@H]1C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16064 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r|
16065 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r|
16066 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r|
16067 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCc2ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)cc2 |r|
16068 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r,c:16|
16069 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16070 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 |r|
16071 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 |r|
16072 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCCSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 |r|
16073 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCc2ccc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1)cc2 |r|
16074 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSCCC(=O)N[C@@H](C)C(=O)N1 |r,c:16|
16075 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSCCC(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16076 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](N)C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16077 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
16078 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(C)=O |r|
16079 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COCCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r|
16080 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r,c:16|
16081 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 |r,c:16|
16082 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/CSC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N1 |r,c:16|
16083 CCCCNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(C)C |r,c:20|
16084 CCCCNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1)C(C)C |r,t:20|
16085 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@@H]2CNCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16086 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@H]2CNCC[C@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16087 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@@H]2CCCN[C@@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16088 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@H]2CCCN[C@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16089 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@@H]2CNCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16090 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@H]2CNCC[C@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16091 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@@H]2CCCN[C@@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16092 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CC[C@H]2CCCN[C@H]2C(=O)N[C@@H](C)C(=O)N1 |r,t:16|
16093 CN(C(=O)c1ccc(cc1)-c1ccccc1)c1ccccc1C(O)=O
16094 OC(=O)c1ccccc1NC(=O)c1ccc(cc1)-c1ccccc1
16095 CN(C(=O)c1ccc2cc(Br)ccc2c1)c1ccccc1C(O)=O
16096 OC(=O)c1ccccc1NC(=O)c1ccc2cc(Br)ccc2c1
16097 CN(C(=O)c1ccc2ccccc2c1)c1ccccc1C(O)=O
16098 OC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
16099 NC(=O)c1cc(cc(c1)-c1ccc(cc1)-c1ccccc1)C(O)=O
16100 [#6]-[#8]-[#6]-1=[#6](-[#8]-[#6])-[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#6])-[#6]-1=O |c:2,t:13|
16101 Cc1ccc(cc1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
16102 NC(=O)c1cc(cc(c1)-c1cccc(c1)-c1ccccc1)C(O)=O
16103 Cc1cccc(c1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
16104 CC(C)(C)c1ccc(cc1)-c1cccc(c1)-c1cc(cc(c1)C(O)=O)C(N)=O
16105 NC(=O)c1cc(cc(c1)-c1cccc(c1)-c1ccc(cc1)C(F)(F)F)C(O)=O
16106 NC(=O)c1cc(cc(c1)-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(O)=O
16107 CC(C)(C)c1ccc(cc1)-c1ccc(cc1)-c1cc(cc(c1)C(O)=O)C(N)=O
16108 Cc1ccc(cc1)-c1ccc(cc1)-c1cc(cc(c1)C(O)=O)C(N)=O
16109 OC(=O)C1=C(CCC1)C(=O)Nc1ccc(cc1)-c1ccccc1 |t:3|
16110 [#6]-[#8]-[#6]-1=[#6](-[#8]-[#6])-[#6](=O)-[#6](-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])=[#6](-[#6])-[#6]-1=O |w:10.9,c:2,t:38|
16111 COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16|
16112 COc1ccccc1-c1c(F)c(F)c(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1F |t:18,(1.02,8.12,;-.07,7.03,;.7,5.69,;2.24,5.69,;3.01,4.36,;2.24,3.03,;.7,3.03,;-.07,4.36,;-1.61,4.36,;-2.38,5.69,;-1.61,7.03,;-3.92,5.69,;-4.69,7.03,;-4.69,4.36,;-6.23,4.36,;-7,3.03,;-6.23,1.69,;-8.54,3.03,;-9.21,4.41,;-10.73,4.21,;-11.01,2.69,;-9.65,1.96,;-8.48,5.77,;-9.29,7.08,;-6.94,5.82,;-3.92,3.03,;-4.69,1.69,;-2.38,3.03,;-1.61,1.69,)|
16113 OC(=O)c1sccc1C(=O)Nc1ccc(cc1)-c1ccccc1
16114 COc1cccc(c1)-c1ccc(NC(=O)c2ccsc2C(O)=O)c(F)c1
16115 CCOc1cccc(c1)-c1cc(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1
16116 CCOc1ccccc1-c1cc(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1
16117 COc1ccccc1-c1c(F)c(F)c(NC(=O)c2ccsc2C(O)=O)c(F)c1F |(1.02,8.12,;-.07,7.03,;.7,5.69,;2.24,5.69,;3.01,4.36,;2.24,3.03,;.7,3.03,;-.07,4.36,;-1.61,4.36,;-2.38,5.69,;-1.61,7.03,;-3.92,5.69,;-4.69,7.03,;-4.69,4.36,;-6.23,4.36,;-7,3.03,;-6.23,1.69,;-8.54,3.03,;-9.65,1.96,;-11.01,2.69,;-10.73,4.21,;-9.21,4.41,;-8.48,5.77,;-9.29,7.08,;-6.94,5.82,;-3.92,3.03,;-4.69,1.69,;-2.38,3.03,;-1.61,1.69,)|
16118 COc1ccccc1-c1ccc(NC(=O)c2ccsc2C(O)=O)cc1Cl
16119 OC(=O)c1cscc1C(=O)Nc1ccc(cc1)-c1ccccc1
16120 CCOc1ccccc1-c1cc(F)c(NC(=O)c2cscc2C(O)=O)c(F)c1
16121 OC(=O)c1cscc1C(=O)Nc1c(F)cc(cc1F)-c1cccc(OC(F)(F)F)c1
16122 COc1cccc(c1)-c1ccc(NC(=O)c2c(csc2C(O)=O)C(O)=O)c(F)c1
16123 COc1cccc(c1)-c1ccc(NC(=O)c2cc(sc2C(O)=O)C(O)=O)c(F)c1
16124 COc1cccc(c1)-c1ccc(NC(=O)c2csc(C(O)=O)c2C(O)=O)c(F)c1
16125 CCOc1cccc(c1)-c1cc(F)c(NC(=O)c2cocc2C(O)=O)c(F)c1
16126 COc1cccc(c1)-c1ccc(NC(=O)c2cocc2C(O)=O)c(F)c1
16127 NC(=N)c1ccc2nc(Cc3nc4ccc(cc4[nH]3)C(N)=N)[nH]c2c1
16128 NC(=N)Nc1ccc(cc1)C(F)(F)F
16129 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)-c1cccc(c1)-[#6](-[#8])=O
16130 [#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)S([#7])(=O)=O
16131 [#7]\[#6](-[#7])=[#7]/c1nccc2ccc(cc12)S(=O)(=O)[#7]-c1ccccc1
16132 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S([#7])(=O)=O
16133 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1
16134 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1
16135 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
16136 [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16137 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-c1ccccc1-[#6](-[#8])=O
16138 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-c1cccc(c1)-[#6](-[#8])=O
16139 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6](-[#8])=O
16140 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-[#6]-[#6]-[#6](-[#8])=O
16141 [#6]C([#6])([#6]-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#6](-[#8])=O
16142 [#6]-[#7](-[#6]-[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16143 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6](-[#8])=O)-c1ccccc1
16144 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6](-[#8])=O)-[#6]-c1ccccc1
16145 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6](-[#8])=O
16146 [#6]-[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
16147 [#6]-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
16148 [#6]-[#6](-[#6])-[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
16149 [#6]-[#6](-[#6])-[#6@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
16150 [#6]C([#6])([#6])[#6@@H](-[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
16151 [#6]-[#6@H](-[#7](-[#6]-c1ccccc1)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)-[#6](-[#8])=O |r|
16152 [#6]C([#6])([#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#6](-[#8])=O
16153 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]1)[#6](-[#8])=O
16154 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O
16155 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O
16156 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#8]-[#6]-[#6]1)[#6](-[#8])=O
16157 [#6]-[#7]-1-[#6]-[#6]C([#6]-[#6]-1)([#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1)[#6](-[#8])=O
16158 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6](-[#6]-1)-[#6](-[#8])=O
16159 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
16160 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
16161 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#8])=O |r|
16162 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#8] |r|
16163 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@@H]-1-[#6](-[#7])=O |r|
16164 [#6]-[#7](C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16165 [#6]-[#7](-[#6])-[#6]-[#6]-[#7](C1([#6]-[#6]-[#6]-[#6]1)[#6](-[#8])=O)S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16166 [#6]-[#6]-[#8]-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16167 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#8])[#6]-[#6]-[#6]-[#6]1
16168 [#6]-[#7](-[#6])-[#6]-[#6]-[#7]-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16169 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-[#6]-[#6]-[#8]
16170 [#7]\[#6](-[#7])=[#7]/c1ncc(Cl)c2ccc(cc12)S(=O)(=O)[#7]C1([#6]-[#6]-[#6]-[#6]1)[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
16171 [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)C1([#6]-[#6]-[#6]-[#6]1)[#7]S(=O)(=O)c1ccc2c(Cl)cnc(\[#7]=[#6](/[#7])-[#7])c2c1
16173 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
16174 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN
16175 CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
16176 [#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#7]-[#6](=O)-[#7]C23[#6]-[#6]-4-[#6]-[#6](-[#6]-[#6](-[#6]-4)-[#6]2)-[#6]3)cc1 |TLB:22:13:20:17.16.18,THB:22:17:20:14.21.13,18:17:14:21.20.19,18:19:14:17.16.22,12:13:20:17.16.18|
16178 O=S(=O)(N1Cc2cc(ccc2N(Cc2cnc[nH]2)CC1Cc1ccccc1)C#N)c1cccs1
16179 Clc1cccc(CN2CC[C@H](NCc3cncn3Cc3ccc(cc3)C#N)C2=O)c1 |r|
16180 CCSC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C |r|
16181 Cn1cncc1C(O)(CN1CCC(C#N)=C(C1)c1cccc2ccccc12)c1ccc(cc1)C#N |c:15|
16182 CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(O)=O |r|
16183 CSCC[C@H](NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C)C(=O)OCc1ccccc1 |r|
16184 Ic1cccc(c1)C(=O)CC#N
16185 Clc1cccc(c1)C(=O)CC#N
16186 Clc1ccc(cc1Br)C(=O)CC#N
16187 O=C(CC#N)c1cccc(c1)C(=O)c1ccccc1
16188 O=C(CC#N)c1cccc(c1)-c1ccccc1
16189 Ic1cccc(CC(=O)CC#N)c1
16190 CCOP(=O)(OCC)Oc1cccc(c1)C(=O)CC#N
16191 NC(=O)CC(=O)c1cccc(I)c1
16192 NC(=O)CC(=O)c1cccc(Cl)c1
16193 NC(=O)CC(=O)c1cccc(c1)C(=O)c1ccccc1
16194 NC(=O)CC(=O)c1cccc(c1)-c1ccccc1
16195 NC(=O)c1[nH]cnc1-c1cccc(Cl)c1
16196 NC(=O)c1[nH]cnc1-c1ccc(Cl)c(Br)c1
16197 NC(=O)c1[nH]cnc1-c1cccc(c1)C(=O)c1ccccc1
16198 NC(=O)c1[nH]cnc1-c1cccc(c1)-c1ccccc1
16199 NC(=O)c1[nH]cnc1-c1ccccc1
16200 NC(=O)c1sc(N)nc1-c1cccc(I)c1
16201 NC(=O)c1sc(N)nc1-c1cccc(Cl)c1
16202 NC(=O)c1sc(N)nc1-c1ccc(Cl)c(Br)c1
16203 NC(=O)c1sc(N)nc1-c1cccc(c1)C(=O)c1ccccc1
16204 NC(=O)c1sc(N)nc1-c1cccc(c1)-c1ccccc1
16205 NC(=O)c1sc(N)nc1-c1ccccc1
16206 NC(=O)c1scnc1-c1cccc(I)c1
16207 NC(=O)c1scnc1-c1ccc(Cl)c(Br)c1
16208 NC(=O)c1scnc1-c1cccc(c1)C(=O)c1ccccc1
16209 NC(=O)c1scnc1-c1cccc(c1)-c1ccccc1
16210 NC(=O)c1scnc1-c1ccccc1
16211 Cc1[nH]ncc1-c1ccccc1
16212 Cc1[nH]ncc1-c1ccc(CN)cc1
16213 Cc1[nH]ncc1-c1ccc(CCN)cc1
16214 NCCCc1ccc(cc1)-c1cn[nH]c1
16215 c1n[nH]cc1-c1ccccc1
16216 NCC(c1ccccc1)c1ccc(cc1)-c1cn[nH]c1
16217 C1CC(CCN1)(c1ccccc1)c1ccc(cc1)-c1cn[nH]c1
16218 NCC(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1
16219 Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1
16220 NC[C@@H](c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 |r|
16221 NC[C@H](c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 |r|
16222 Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
16223 c1cc2cccnc2[nH]1
16224 CNCc1ccc(cc1)-c1ncnc2nc[nH]c12
16225 CNCc1cccc(c1)-c1ncnc2nc[nH]c12
16226 NCCc1ccc(cc1)-c1ncnc2nc[nH]c12
16227 NCCc1cccc(c1)-c1ncnc2nc[nH]c12
16228 NC(c1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
16229 NC(Cc1ccccc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
16230 NC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
16231 CNCC(c1ccc(Cl)cc1)c1ccc(cc1)-c1ncnc2nc[nH]c12
16232 Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1ncnc2nc[nH]c12
16233 OC(=O)CCCc1nc([n-][o+]1)-c1cccc(c1)[N+]([O-])=O
16234 O[C@@H]1COC(O)[C@H](O)[C@H]1O
16235 OC(=O)CSc1nnc(o1)-c1ccc(o1)[N+]([O-])=O
16236 OC(=O)CCCc1nc(no1)-c1ccccn1
16237 OC(=O)CCCc1nc(no1)-c1ccc(Cl)cc1
16238 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
16239 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O
16240 OC(=O)CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O
16241 OCC(O)C=O
16242 OC(=O)COC(=O)c1cc2ccccc2c2C(=O)N(CC(O)=O)S(=O)(=O)c12
16243 OC(=O)CN1C(=O)c2c(ccc3ccccc23)S1(=O)=O
16244 OC(=O)CN1C(=O)c2c(ccc3cccc([N+]([O-])=O)c23)S1(=O)=O
16245 OC(=O)CN1C(=O)c2c(ccc3c(cccc23)[N+]([O-])=O)S1(=O)=O
16246 Nc1cccc2ccc3c(C(=O)N(CC(O)=O)S3(=O)=O)c12
16247 Nc1cccc2c3C(=O)N(CC(O)=O)S(=O)(=O)c3ccc12
16248 CN1C(=O)c2c(c(cc3ccccc23)C(O)=O)S1(=O)=O
16249 CN1C(=O)c2c(c(cc3ccccc23)C(=O)OCC(O)=O)S1(=O)=O
16250 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16251 CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16252 CSC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r|
16253 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C |r|
16254 CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCc1nc(C)oc1C)C(C)C |r|
16255 CCCNC(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16256 CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)N(C)S(C)(=O)=O |r|
16257 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16258 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NCc1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16259 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16260 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](C)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16261 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)c1ccccc1)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16262 CC(C)C[C@H](NC(=O)c1cc(cc(c1)C(=O)NC(C)c1nc(C)oc1C)N(C)S(C)(=O)=O)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C |r|
16263 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16264 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\COC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
16265 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16266 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16267 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
16268 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16269 CC(C)C[C@H](NC(=O)[C@H](CC(=O)NCC=C)NC(=O)[C@@H](NC(=O)OCCCC=C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16270 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC\C=C\CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r,t:14|
16271 CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16272 N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N |r|
16273 N[C@@H]1CCCN(C1)c1nc2cccc(F)c2c(=O)n1Cc1ccccc1C#N |r|
16274 N[C@@H]1CCCN(C1)c1nc2ccc(F)cc2c(=O)n1Cc1ccccc1C#N |r|
16275 N[C@@H]1CCCN(C1)c1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1C#N |r|
16276 N[C@@H]1CCCN(C1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1C#N |r|
16277 N[C@@H]1CCCN(C1)c1nc2c(Cl)cccc2c(=O)n1Cc1ccccc1C#N |r|
16278 N[C@@H]1CCCN(C1)c1nc2c(Cl)cc(Cl)cc2c(=O)n1Cc1ccccc1C#N |r|
16279 N[C@@H]1CCCN(C1)c1nc2ccc(Br)cc2c(=O)n1Cc1ccccc1C#N |r|
16280 COc1ccc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2c1 |r|
16281 COc1cc2c(cc1F)nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O |r|
16282 COc1cc2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c(=O)c2cc1OC |r|
16283 COc1cccc2c1nc(N1CCC[C@@H](N)C1)n(Cc1ccccc1C#N)c2=O |r|
16284 N[C@@H]1CCCN(C1)c1nc2cc(N3CCOCC3)c(F)cc2c(=O)n1Cc1ccccc1C#N |r|
16285 Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
16286 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16287 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16288 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16289 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r|
16290 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r|
16291 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16292 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r|
16293 CCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
16294 CCc1ccc(Oc2ccccc2)c(O)c1
16295 CCCCc1ccc(Oc2ccccc2)c(O)c1
16296 CCCCCc1ccc(Oc2ccccc2)c(O)c1
16297 CCCCCCc1ccc(Oc2ccccc2)c(O)c1
16298 CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
16299 CCCCCCCCCCCCCCc1ccc(Oc2ccccc2)c(O)c1
16300 NC(=O)C1=CN(C=C[C@@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3|
16301 Clc1ccc(cc1)C1CCC(CC1)C1C(=O)C(=O)c2ccccc2C1=O |(22.89,-15.28,;24.23,-14.51,;25.56,-15.28,;26.9,-14.51,;26.9,-12.97,;25.56,-12.2,;24.23,-12.97,;28.23,-12.2,;29.56,-12.97,;30.9,-12.2,;30.9,-10.66,;29.56,-9.89,;28.23,-10.66,;32.23,-9.89,;32.23,-8.35,;30.9,-7.58,;33.56,-7.58,;33.56,-6.04,;34.9,-8.35,;36.27,-7.53,;37.67,-8.32,;37.67,-9.92,;36.27,-10.71,;34.9,-9.89,;33.56,-10.66,;33.56,-12.2,)|
16302 CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)SCc1ccccc1
16303 NC(=N)c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1
16304 NC(=N)c1ccc2nc([nH]c2c1)C(=O)c1nc2ccccc2[nH]1
16305 NC(=N)c1ccc2nc(Cc3ncc[nH]3)[nH]c2c1
16306 NC(=N)c1ccc2nc([nH]c2c1)-c1ccccn1
16307 NC(=N)c1ccc2nc(Cc3ccccn3)[nH]c2c1
16308 NC(=N)c1ccc2nc([nH]c2c1)-c1nccc2ccccc12
16309 NC(=N)c1ccc2nc([nH]c2c1)-c1cccc2cccnc12
16310 NC(=N)c1ccc2nc([nH]c2c1)-c1cc2ccccc2cn1
16311 NCC(c1ccccc1)c1ccc(Cl)cc1
16312 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
16313 OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F
16314 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
16315 Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
16316 CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
16317 CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1
16318 CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C
16319 CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1
16320 CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1
16321 CNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N
16322 CCCNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N
16323 CONC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1
16324 CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
16325 CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
16326 Cc1ccc(cc1Nc1ncnc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
16327 CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1
16328 CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
16329 CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
16330 Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
16331 CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1
16332 CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC3CCCC3)c2C#N)c1
16333 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16334 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(C)c1
16335 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(F)c1
16336 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(C)c1
16337 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(C)ccc1F
16338 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1
16339 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(Cl)c1
16340 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1Cl
16341 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
16342 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
16343 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1c(F)cccc1F |(-5.34,-5.49,;-4.57,-4.15,;-3.03,-4.15,;-5.34,-2.82,;-6.87,-2.98,;-7.5,-1.57,;-6.35,-.54,;-6.35,1,;-5.02,1.77,;-3.69,1,;-3.69,-.54,;-5.02,-1.31,;-2.52,2,;-1.02,1.64,;-.22,2.96,;-1.22,4.13,;-2.64,3.53,;-3.97,4.3,;-3.97,5.85,;-2.64,6.62,;-5.31,6.62,;-6.64,5.85,;-6.64,4.3,;-5.31,3.53,;-5.31,1.99,)|
16344 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(F)c1
16345 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(Cl)c1
16346 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1F
16347 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(Cl)ccc1F
16348 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1Cl
16349 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)c(F)c1
16350 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)c(F)c1
16351 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
16352 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1c(F)cc(F)cc1F |(-5.34,-5.49,;-4.57,-4.15,;-3.03,-4.15,;-5.34,-2.82,;-6.87,-2.98,;-7.5,-1.57,;-6.35,-.54,;-6.35,1,;-5.02,1.77,;-3.69,1,;-3.69,-.54,;-5.02,-1.31,;-2.52,2,;-1.02,1.64,;-.22,2.96,;-1.22,4.13,;-2.64,3.53,;-3.97,4.3,;-3.97,5.85,;-2.64,6.62,;-5.31,6.62,;-6.64,5.85,;-7.98,6.62,;-6.64,4.3,;-5.31,3.53,;-5.31,1.99,)|
16353 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)cc(F)c1F
16354 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(F)c1F
16355 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)c(Cl)c1
16356 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1Cl
16357 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cccc(Cl)c1Cl
16358 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(Cl)cc1F
16359 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1Cl
16360 CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)c(Br)c1
16361 CCc1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16362 C1CC1c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16363 C1CC(C1)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16364 CCNc1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16365 CCN(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16366 FC(F)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16367 FC(F)(F)Cc1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16368 c1cc(on1)-c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1
16369 Fc1ccc(cc1)-c1ncoc1-c1ccc2nncn2c1
16370 CCc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16371 CN(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16372 CCNc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16373 CCOc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16374 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(C3CCC3)n2c1
16375 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(C3CC3)n2c1
16376 CC(C)Cc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16377 CC(C)Nc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16378 CCCNc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16379 CCN(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16380 CC(C)Oc1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16381 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16382 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(N3CCCC3)n2c1
16383 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(-c3ccccc3)n2c1
16384 COc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16385 CCOc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16386 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
16387 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(N3CCOCC3)n2c1
16388 Fc1ccc(cc1)-c1ncoc1-c1ccc2nnc(Cc3ccccc3)n2c1
16389 Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CC4)n3c2)c(F)c1
16390 CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
16391 Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1
16392 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
16393 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
16394 CC(C)(O)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
16395 Fc1ccc(F)c(c1)-c1ncoc1-c1ccc2nnc(C3CC3)n2c1
16396 CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
16397 Fc1ccc(F)c(c1)-c1ncoc1-c1ccc2nnc(C3CCC3)n2c1
16398 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
16399 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
16400 Fc1cc(F)c(cc1F)-c1ncoc1-c1ccc2nnc(C3CC3)n2c1
16401 CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
16402 Fc1cc(F)c(cc1F)-c1ncoc1-c1ccc2nnc(C3CCC3)n2c1
16403 CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
16404 CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
16405 CC(C)c1nnc2ccc(cn12)-c1c[nH]nc1-c1cc(F)ccc1F
16406 CC(C)c1nnc2ccc(cn12)-c1cnoc1-c1cc(F)ccc1F
16407 CC(C)c1nnc2ccc(cn12)-c1nc[nH]c1-c1cc(F)ccc1F
16408 C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccc(F)cc1 |r|
16409 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16410 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16411 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
16412 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)C)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16413 CC(C)S(=O)(=O)N(C)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)C(=O)N[C@H](C)c1ccccc1 |r|
16414 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N(C)S(=O)(=O)N(C)C)c1ccccc1 |r|
16415 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23
16416 OCC(O)C(O)C(O)CO
16417 OC(=O)CN1C(=O)c2ccccc2C1=O
16418 OCc1ccccc1
16419 OC(=O)Cc1ccccc1
16420 O[C@H](C(O)=O)c1ccccc1 |r|
16421 O[C@@H](C(O)=O)c1ccccc1 |r|
16422 OC(=O)Cc1ccccc1F
16423 Cc1ccccc1CC(O)=O
16424 OC(=O)Cc1ccccc1Cl
16425 OC(=O)Cc1ccccc1Br
16426 OC(=O)Cc1ccccc1O
16427 OC(=O)Cc1ccc(Cl)cc1
16428 OC(=O)Cc1c(F)cccc1F
16429 OC(=O)Cc1c(Cl)cccc1Cl
16430 OC(=O)\C=C\c1ccccc1
16431 OC(=O)Cc1ccc2ccccc2c1
16432 OC(=O)C[c-]1cccc1
16433 CCCCCC(O)=O
16434 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:11:8:25:2.4.3|
16435 NC(=O)CCCCC1CCSS1
16436 OC(=O)CCCCC(S)CCS
16437 OCCSC1CC(=O)N(CC(O)=O)C1=O
16438 NC(CSC1CC(=O)N(CC(O)=O)C1=O)C(O)=O
16439 CC(=O)NC(CSC1CC(=O)N(CC(O)=O)C1=O)C(O)=O
16440 COC(=O)C(N)CSC1CC(=O)N(CC(O)=O)C1=O
16441 N[C@@H](CCC(=O)N[C@@H](CSC1CC(=O)N(CC(O)=O)C1=O)C(=O)NCC(O)=O)C(O)=O |r|
16442 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1
16443 OC[C@@H](O)C=O
16444 Clc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
16445 Brc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
16446 COc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
16447 Cc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
16448 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1-c1ccccc1
16449 Clc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
16450 Fc1ccc(c(Cl)c1)S(=O)(=O)c1ccc(=O)[nH]n1
16451 Fc1cc(Br)ccc1S(=O)(=O)c1ccc(=O)[nH]n1
16452 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
16453 O=c1ccc(n[nH]1)S(=O)(=O)c1nc2ccccc2s1
16454 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2[nH]1
16455 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2s1
16456 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2ccccc2o1
16457 Clc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16458 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccccc12
16459 Cc1ccc2n(CC(O)=O)cc(Cc3nc4cc(ccc4s3)C(F)(F)F)c2c1
16460 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2cc(Cl)ccc12
16461 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Br)cc12
16462 OC(=O)Cn1cc(Cc2nc3ccc(Cl)cc3s2)c2ccccc12
16463 OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12
16464 OC(=O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc12
16465 OC(=O)Cn1cc(Cc2nc3ccc(F)cc3s2)c2ccccc12
16466 OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
16467 OC(=O)Cn1cc(Cc2nc3cc(F)c(F)cc3s2)c2ccccc12
16468 OC(=O)Cn1cc(Cc2nc3c(F)cc(F)cc3s2)c2ccccc12
16469 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
16470 Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(O)=O
16471 OC(=O)Cn1c(c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12)-c1ccccc1
16472 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
16473 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc12
16474 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc12
16475 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc12
16476 Cc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
16477 COc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
16478 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc12
16479 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc12
16480 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)-c1ccccc1
16481 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)N1CCOCC1
16482 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc12
16483 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc12
16484 Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
16485 COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
16486 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)-c1ccccc1
16487 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)N1CCOCC1
16488 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(F)c12
16489 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Cl)c12
16490 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Br)c12
16491 Cc1cccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c12
16492 OC(=O)Cn1cc(C(=O)c2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
16493 OC(=O)Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
16494 OC(=O)CCn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
16495 CC(C(O)=O)n1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
16496 OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O
16497 [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O |r|
16498 [#6]-c1cc(=O)oc2cc(-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6](=O)-[#8]-[#6]-c3ccccc3)ccc12 |r|
16499 [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O |r|
16500 [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)CC)C(O)=O |r|
16501 [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)CC)C(O)=O |r|
16502 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCc1ccccc1 |r|
16503 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)NCCC |r|
16504 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCCC |r|
16505 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1)C(=O)NCc1ccccc1 |r|
16506 [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O |r|
16507 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:11:8:25:2.4.3,25:26:30.31.29:35.34.33|
16508 [H][C@@]1(O[C@]1([H])C(=O)OCC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O |r|
16509 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O)C(=O)NCCC |r|
16510 CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(O)=O |r|
16511 [H][C@@]1(O[C@]1([H])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)OC |r|
16512 NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
16513 Clc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
16514 CCc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
16515 Cc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
16516 COc1ccccc1Nc1ccc(=O)n(n1)-c1ccccc1Cl
16517 Fc1ccccc1Sc1ccc(=O)n(n1)-c1ccccc1Cl
16518 Cc1cc(Cl)ccc1-n1nc(Sc2ccc(F)cc2F)ccc1=O
16519 Cc1cc(Cl)ccc1-n1nc(Sc2ccc(Cl)cc2)ccc1=O
16520 Cc1ccccc1CNc1ccc(=O)n(n1)-c1ccccc1Cl
16521 OCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccc(F)cc1Cl
16522 NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
16523 COc1ccc(CNCCCN(c2ccc(=O)n(n2)-c2ccccc2Cl)c2ccccc2Cl)c(OC)c1OC
16524 Clc1ccccc1N(CCCN1C(=O)c2ccccc2C1=O)c1ccc(=O)n(n1)-c1ccccc1Cl
16525 Fc1ccc(N(CCCN2C(=O)c3ccccc3C2=O)c2ccc(=O)n(n2)-c2ccccc2Cl)c(Cl)c1
16526 NCC(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
16527 CNCC(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl
16528 Clc1ccccc1N(CCCNC(=O)C1CCCN1)c1ccc(=O)n(n1)-c1ccccc1Cl
16529 Clc1ccccc1N(CCCNC(=O)C1CCNCC1)c1ccc(=O)n(n1)-c1ccccc1Cl
16530 FC(F)(F)C1CCC(CC1)C(=O)NCCCN(c1ccc(=O)n(n1)-c1ccccc1Cl)c1ccccc1Cl |(13.52,-3.17,;12.75,-4.5,;14.08,-5.27,;11.98,-5.84,;11.41,-3.73,;11.41,-2.19,;10.08,-1.42,;8.74,-2.19,;8.74,-3.73,;10.08,-4.5,;7.41,-1.42,;7.41,.12,;6.08,-2.19,;4.74,-1.42,;3.41,-2.19,;2.08,-1.42,;.74,-2.19,;-.59,-1.42,;-1.92,-2.19,;-3.26,-1.42,;-3.26,.12,;-4.59,.89,;-1.92,.89,;-.59,.12,;-1.92,2.43,;-.59,3.2,;-.59,4.74,;-1.92,5.51,;-3.26,4.74,;-3.26,3.2,;-4.59,2.43,;.74,-3.73,;-.59,-4.5,;-.59,-6.04,;.74,-6.81,;2.08,-6.04,;2.08,-4.5,;3.41,-3.73,)|
16531 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|
16532 Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16533 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1ccccc1 |r|
16534 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1ccccc1 |r|
16535 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C\c3ccco3)c2c1)Cc1ccccc1 |r|
16536 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2)c1 |r|
16537 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1 |r|
16538 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2F)c1 |r|
16539 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(F)cccc2F)c1 |r|
16540 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(F)c2F)c1 |r|
16541 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(F)cc(F)cc2F)c1 |r|
16542 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2Cl)c1 |r|
16543 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(Cl)c2)c1 |r|
16544 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)cc2)c1 |r|
16545 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2Br)c1 |r|
16546 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(Br)c2)c1 |r|
16547 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)cc2)c1 |r|
16548 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(I)c2)c1 |r|
16549 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(Cl)c2)c1 |r|
16550 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(F)c2)c1 |r|
16551 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(Cl)c2Cl)c1 |r|
16552 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(Cl)c2)c1 |r|
16553 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(Cl)cc(Cl)c2)c1 |r|
16554 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)cc2F)c1 |r|
16555 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)c(F)c2)c1 |r|
16556 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(F)cc(F)cc2Br)c1 |r|
16557 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(F)ccc2C)c1 |r|
16558 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)c(C)c2)c1 |r|
16559 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(C)c2)c1 |r|
16560 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2C)c1 |r|
16561 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(C)c(F)c2)c1 |r|
16562 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)cc(C)cc2C)c1 |r|
16563 COc1ccc(F)cc1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1 |r|
16564 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
16565 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)c1 |r|
16566 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1 |r|
16567 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(c2)C(F)(F)F)c1 |r|
16568 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(F)cc(c2)C(F)(F)F)c1 |r|
16569 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(ccc2F)C(F)(F)F)c1 |r|
16570 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(c(F)c2)C(F)(F)F)c1 |r|
16571 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(cc2F)C(F)(F)F)c1 |r|
16572 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2OC(F)(F)F)c1 |r|
16573 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OC(F)(F)F)c2)c1 |r|
16574 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
16575 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)-c2ccccc2)c1 |r|
16576 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3OCOc3c2)c1 |r|
16577 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc3OC(F)(F)Oc23)c1 |r|
16578 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3OC(F)(F)C(F)(F)Oc3c2)c1 |r|
16579 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCCN3CCOCC3)c2)c1 |r|
16580 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCCC3CCNCC3)c2)c1 |r|
16581 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCC3CCNCC3)c2)c1 |r|
16582 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCC3CCCCC3)c2)c1 |r|
16583 CN1CCC(COc2cccc(C[C@H](N)COc3cncc(c3)-c3ccc4[nH]nc(C)c4c3)c2)CC1 |r|
16584 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCCN)c2)c1 |r|
16585 N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|
16586 N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|
16587 Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
16588 Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1 |r|
16589 COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
16590 c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
16591 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
16592 O=C(NCc1cccnc1)c1cc(ncn1)C(=O)NCc1cccnc1
16594 O=C(NCc1ccccc1)c1cc(ncn1)C(=O)NCc1ccccc1
16595 Cc1cccc(CNC(=O)c2cc(ncn2)C(=O)NCc2cccc(C)c2)c1
16596 Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F
16597 Brc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
16598 Clc1cccc(c1)S(=O)(=O)c1ccc(=O)[nH]n1
16599 Clc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
16600 Fc1ccccc1S(=O)(=O)c1ccc(=O)[nH]n1
16601 Fc1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
16602 Clc1cccc(c1Cl)S(=O)(=O)c1ccc(=O)[nH]n1
16603 Clc1ccc(Cl)c(c1)S(=O)(=O)c1ccc(=O)[nH]n1
16604 Clc1cccc(Cl)c1S(=O)(=O)c1ccc(=O)[nH]n1
16605 Fc1cccc(c1F)S(=O)(=O)c1ccc(=O)[nH]n1
16606 Fc1ccc(c(F)c1)S(=O)(=O)c1ccc(=O)[nH]n1
16607 FC(F)(F)c1cccc(c1)S(=O)(=O)c1ccc(=O)[nH]n1
16608 FC(F)(F)c1ccc(cc1)S(=O)(=O)c1ccc(=O)[nH]n1
16609 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1Cc1cccc2ccccc12
16610 O=c1ccc(n[nH]1)S(=O)(=O)c1ccccc1Cc1ccc2ccccc2c1
16611 O=c1ccc(n[nH]1)S(=O)(=O)Cc1ccccc1
16612 Clc1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
16613 Fc1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
16614 FC(F)(F)c1ccccc1CS(=O)(=O)c1ccc(=O)[nH]n1
16615 FC(F)(F)c1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1
16616 Clc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1Cl
16617 Clc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1
16618 Fc1cccc(CS(=O)(=O)c2ccc(=O)[nH]n2)c1F
16619 Fc1cc(Br)ccc1CS(=O)(=O)c1ccc(=O)[nH]n1
16620 Fc1cccc(Cl)c1CS(=O)(=O)c1ccc(=O)[nH]n1
16621 Fc1c(Cl)cccc1CS(=O)(=O)c1ccc(=O)[nH]n1
16622 Fc1c(CS(=O)(=O)c2ccc(=O)[nH]n2)cccc1C(F)(F)F
16623 Clc1ccc2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16624 Clc1ccc2cc([nH]c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16625 Clc1cccc2cc([nH]c12)S(=O)(=O)c1ccc(=O)[nH]n1
16626 Fc1ccc2cc([nH]c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16627 O=c1ccc(n[nH]1)S(=O)(=O)c1cc2cc3OCOc3cc2[nH]1
16628 Clc1cc(Cl)c2[nH]c(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16629 Cc1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1
16630 COc1ccc2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16631 Clc1cc(Cl)c2oc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16632 Cc1c(oc2cc(Cl)ccc12)S(=O)(=O)c1ccc(=O)[nH]n1
16633 Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
16634 Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1
16635 Cc1c(oc2ccc(C)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
16636 CCc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
16637 CC(C)c1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
16638 O=c1ccc(n[nH]1)S(=O)(=O)c1oc2ccccc2c1-c1ccccc1
16639 Fc1ccc(cc1)-c1c(oc2ccccc12)S(=O)(=O)c1ccc(=O)[nH]n1
16640 Clc1ccc2oc(c(-c3ccccc3)c2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16641 Cc1ccc2sc(cc2c1)S(=O)(=O)c1ccc(=O)[nH]n1
16642 Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1
16643 CC(=O)Nc1ccc(cc1)S(N)(=O)=O
16644 NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
16645 CCC(=O)Nc1ccc(cc1)S(N)(=O)=O
16646 CCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
16647 CC(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
16648 CCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
16649 CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O
16650 CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
16651 NS(=O)(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
16652 NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
16653 NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
16654 NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
16655 NS(=O)(=O)c1ccc(CNC(=O)Nc2ccccc2)cc1
16656 NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccccc2)cc1
16657 NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
16658 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
16659 NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
16660 NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
16661 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
16662 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
16663 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
16664 NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
16665 NS(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3oc2=O)cc1
16666 NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3oc2=O)cc1
16667 NS(=O)(=O)c1ccc(cc1)\N=C/c1ncc[nH]1
16668 CC(C)(C)C(=O)Nc1nnc(s1)S(N)(=O)=O
16669 NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
16670 NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
16671 Cn1nc(s\c1=N\C(=O)c1ccco1)S(N)(=O)=O
16672 Cn1nc(s\c1=N\C(=O)c1ccccc1)S(N)(=O)=O
16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
16674 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CO)Cc1cc(F)cc(F)c1 |r|
16675 CCCC[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
16676 CCCC[C@H](N)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
16677 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@H](CN)Cc1ccccc1 |r|
16678 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
16679 C[C@H]1C[C@@H]1CNc1cc(cc(n1)N(C)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CCC(F)(F)F |r|
16680 CCCC[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
16681 C[C@H](N)[C@H](Cc1ccsc1)NC(=O)c1cc(NC[C@H]2C[C@@H]2C)nc(c1)N(C)S(C)(=O)=O |r|
16682 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
16683 CCCC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(CCC)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
16684 CCCN(c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](C)N)S(C)(=O)=O |r|
16685 COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(C)(=O)=O)N(C)C[C@H]1C[C@@H]1C |r|
16686 COC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C |r|
16687 CCOC[C@H](N)[C@H](Cc1ccccc1)NC(=O)c1cc(nc(c1)N(C)S(=O)(=O)C(C)C)N(C)C[C@H]1C[C@@H]1C |r|
16688 COCCN(C[C@H]1C[C@@H]1C)c1cc(cc(n1)N(C)S(=O)(=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)COC |r|
16689 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CO)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16690 C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@H](CN)Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16691 CC(C)CNC(=O)CNC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
16692 CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
16693 CC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
16694 CCC[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCC(C)C |r|
16695 CC(C)CNC(=O)[C@H](CCO)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
16696 CC(C)CNC(=O)[C@H](CCS(C)(=O)=O)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
16697 CCNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O |r|
16698 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NC1CC1 |r|
16699 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)NCc1ccccc1 |r|
16700 C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccc(F)cc1)N(C)S(C)(=O)=O)C(=O)N1CCCC1C(O)=O |r|
16701 CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O |r|
16702 C[C@@H](NC(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r|
16703 CC(C)C(=O)c1cc(cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)N(C)S(C)(=O)=O |r|
16704 CCCN(c1cc(\C=C/C2CC2C)cc(c1)-c1nnc(o1)[C@](C)([NH3+])Cc1ccccc1)S(C)(=O)=O |r|
16705 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1 |r|
16706 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC=C)c1ccccc1 |r|
16707 CC(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1 |r|
16708 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1 |r|
16709 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CC1)c1ccccc1 |r|
16710 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCC1)c1ccccc1 |r|
16711 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)c1ccccc1 |r|
16712 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1)c1ccccc1 |r|
16713 C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r|
16714 C[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 |r|
16715 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C)Cc1ccccc1)c1ccccc1 |r|
16716 C[C@@H](NC(=O)c1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC1)c1ccccc1 |r|
16717 CNC(=O)c1cc(cc(c1)C(=O)NC(CO)Cc1cccc(OC)c1)N(C)S(C)(=O)=O
16718 CN(c1cc2cc(c1)C(=O)NC(CO)Cc1cccc(OCCNC2=O)c1)S(C)(=O)=O
16719 CC[C@H](NCC1Cc2cccc(OCCNC(=O)c3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
16720 CC[C@H](NCC1Cc2cccc(CCCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
16721 CC[C@H](NCC1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(C)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
16722 CCCC[C@H](NC[C@@H]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC)S(C)(=O)=O)c2)C(=O)NCC(C)C |r|
16723 Brc1ccc(N2CCOCC2)c(NC(=O)c2cccc3ccccc23)c1
16724 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
16725 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1
16726 Brc1ccc(N2CCNCC2)c(NC(=O)c2cccc3ccccc23)c1
16727 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12
16728 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cccc2ccccc12
16729 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cccc2ccccc12
16730 OCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
16731 CCOC(=O)CN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
16732 O=C(Nc1cc(ccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)-c1ccccc1)c1cccc2ccccc12
16733 NCCCCCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
16734 O[C@@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
16735 O[C@H](CCN1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1)c1ccccc1 |r|
16736 O=C(Nc1cc(ccc1N1CCN(CC1)C(=O)c1ccccc1)-c1ccccc1)c1cccc2ccccc12
16737 O=C(CCCCC1CCSS1)N1CCN(CC1)c1ccc(cc1NC(=O)c1cccc2ccccc12)-c1ccccc1
16738 Brc1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
16739 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O
16740 Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
16741 Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
16742 OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O
16743 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCOCC3)c(=O)oc12
16744 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12
16745 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12
16746 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12
16747 COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CCO)CC3)c(=O)oc12
16748 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1NC(=O)c1cc2ccccc2oc1=O)-c1ccccc1
16749 O=C(Nc1cc(ccc1N1CCN(Cc2ccccc2)CC1)-c1ccccc1)c1cc2ccccc2oc1=O
16750 O=C(Nc1cc(ccc1N1CCNCC1)-c1ccccc1)c1cc2ccccc2oc1=O
16751 NC(=N)NC(=O)Cn1c(ccc1-c1ccccc1)-c1ccccc1
16752 NC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:18:13:16.15.21,17:16:13:18.19.20|
16753 CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
16754 OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:23:18:25:22.21.24,23:22:18.19.17:25,THB:21:22:17:20.19.25,21:20:17:22.23.24|
16755 CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1CC(=O)NC(=N)NCCCO
16756 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCC(O)=O |r|
16757 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCC(O)=O |r|
16758 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCC(O)=O |r|
16759 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCC(O)=O |r|
16760 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(O)=O |r|
16761 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,38.39,wD:31.32,28.30,41.46,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;6.23,2.24,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
16762 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCCCCCCCC(=O)OC |r|
16763 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)OC)OC |r|
16764 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC)C(=O)NCc1ccccc1 |r|
16765 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,37.38,wD:28.30,31.33,40.45,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
16766 CCC[C@H](C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)C(=O)N(CCC)CCC)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:7.17,39.40,wD:3.3,5.5,42.47,(8.9,.7,;8.9,2.24,;7.56,3.01,;7.56,4.55,;6.23,5.32,;4.89,4.55,;4.89,3.01,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;2.23,4.55,;.89,5.32,;.89,6.86,;-.44,4.55,;-.44,3.01,;-1.77,2.24,;-3.11,3.01,;-3.11,4.55,;-1.77,5.32,;-4.44,5.32,;-4.44,6.86,;-5.78,4.55,;-7.11,5.32,;-8.44,4.55,;-9.78,5.32,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
16767 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CCC(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,36.37,wD:28.30,39.44,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
16768 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,40.41,wD:31.32,28.30,43.48,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,2.24,;8.9,.7,;10.23,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
16769 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:18.18,43.45,wD:31.32,28.30,46.52,(-9.78,5.32,;-8.44,4.55,;-7.11,5.32,;-5.78,4.55,;-5.78,3.01,;-4.44,2.24,;-4.44,.7,;-4.44,5.32,;-4.44,6.86,;-3.11,4.55,;-3.11,3.01,;-1.77,2.24,;-.44,3.01,;-.44,4.55,;-1.77,5.32,;.89,5.32,;.89,6.86,;2.23,4.55,;3.56,5.32,;3.56,6.86,;4.65,7.95,;4.06,9.37,;5,10.59,;4.41,12.02,;6.52,10.39,;7.11,8.97,;8.64,8.77,;6.18,7.75,;4.89,4.55,;4.89,3.01,;6.23,5.32,;7.56,4.55,;7.56,3.01,;8.9,2.24,;8.9,.7,;10.23,-.07,;11.56,.7,;11.56,2.24,;10.23,3.01,;8.9,5.32,;8.9,6.86,;10.23,4.55,;11.56,5.32,;12.9,4.55,;14.23,5.32,;15.56,4.55,;15.56,3.01,;14.23,2.24,;12.9,3.01,;16.9,2.24,;18.23,3.01,;16.9,.7,)|
16770 CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O |r|
16771 CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)C(O)c1ccccc1-c1ccccc1)C(=O)N[C@@H]1C[C@@H](C[C@@H](C1)C(O)=O)C(O)=O |r|
16772 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
16773 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
16774 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16775 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16776 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1ccccc1 |r|
16777 CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16778 CSC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16779 CC(C)C[C@H](NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16780 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16781 CC(C)C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16782 CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r|
16783 N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12 |r|
16784 N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(Cl)c2c1)Cc1c[nH]c2ccccc12 |r|
16785 N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(c2c1)C(F)(F)F)Cc1c[nH]c2ccccc12 |r|
16786 N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1[N+]([O-])=O)Cc1c[nH]c2ccccc12 |r|
16787 N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1N)Cc1c[nH]c2ccccc12 |r|
16788 N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cc1N)Cc1c[nH]c2ccccc12 |r|
16789 N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1c[nH]c2ccccc12 |r|
16790 N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1ccccc1 |r|
16791 Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
16792 N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1ccccc1 |r|
16793 Cc1n[nH]c2c[n+]([O-])c(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
16794 N[C@H](COc1cncc(c1)-c1cc2c(C=C)n[nH]c2cn1)Cc1ccccc1 |r|
16795 N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccco1)Cc1ccccc1 |r|
16796 Cn1cccc1-c1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
16797 N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccccc1)Cc1ccccc1 |r|
16798 CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
16799 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
16800 CC(C)C[C@H](NC(=O)C(O)c1cccc2ccccc12)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
16801 COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16802 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16803 COc1cnn(C)c(=O)c1-c1ccc(C[C@@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16804 COc1cn[nH]c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16805 COc1cnn(Cc2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16806 COc1cnn(-c2ccccc2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16807 COc1cnn(C2CCCCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16808 COc1cnn(c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1)C(C)(C)C |r|
16809 COc1cnn(CCO)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16810 COc1cnn(CCN2CCOCC2)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16811 Cn1ncc(O)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16812 CCOc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1 |r|
16813 Cn1ncc(OC(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16814 Cn1ncc(N)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16815 Cn1ncc(N2CCCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16816 Cn1ncc(N2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16817 Cn1ncc(OCCO)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16818 Cn1ncc(OCCN2CCOCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16819 Cn1ncc(OC2CCCCC2)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(O)=O)cc2)c1=O |r|
16820 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)c2ccccc2)C(O)=O)cc1 |r|
16821 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C(C)C)c2ccccc2)C(O)=O)cc1 |r|
16822 CCCN(C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cnn(C)c1=O)C(O)=O)c1ccccc1 |r|
16823 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)C)C(O)=O)cc1 |r|
16824 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)CCO)C(O)=O)cc1 |r|
16825 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)CC(C)C)C(O)=O)cc1 |r|
16826 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N2CCCCC2C)C(O)=O)cc1 |r|
16827 COC(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cnn(C)c1=O)C(O)=O |r|
16828 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)OCc2ccccc2)C(O)=O)cc1 |r|
16829 COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(O)=O)cc1 |r|
16830 COc1cnn(CCO)c(=O)c1-c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(O)=O)cc1 |r|
16831 CC(C)(C)C(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:13.15,17.18,TLB:14:13:9.8:11.12,THB:4:6:9.8:11.12,(10.4,-11.83,;11.89,-12.23,;12.29,-13.72,;10.8,-13.32,;12.98,-11.14,;14.47,-11.54,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16832 CC(C)(C)CC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:5:7:10.9:12.13,(9.31,-12.92,;10.4,-11.83,;10,-10.34,;8.92,-11.43,;11.89,-12.23,;12.98,-11.14,;14.47,-11.54,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16833 CC(C)CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:5:7:10.9:12.13,(7.83,-12.52,;9.31,-12.92,;9.71,-14.41,;10.4,-11.83,;11.89,-12.23,;12.98,-11.14,;14.47,-11.54,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16834 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCC1CCCC1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.98,-11.14,;14.47,-11.54,;11.89,-12.23,;10.4,-11.83,;9.31,-12.92,;7.85,-12.45,;6.95,-13.69,;7.85,-14.94,;9.32,-14.46,)|
16835 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCCC1CCCCC1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.98,-11.14,;14.47,-11.54,;11.89,-12.23,;10.4,-11.83,;9.31,-12.92,;7.83,-12.52,;7.55,-11.01,;6.1,-10.49,;4.93,-11.48,;5.2,-13,;6.65,-13.52,)|
16836 CC(C)(C)OC(=O)NCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:19.21,23.24,TLB:20:19:15.14:17.18,THB:10:12:15.14:17.18,(3.24,-11.96,;4.58,-11.19,;4.58,-9.65,;3.24,-10.42,;5.91,-11.96,;7.25,-11.19,;7.25,-9.65,;8.58,-11.96,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16837 NCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:12.14,16.17,TLB:13:12:8.7:10.11,THB:3:5:8.7:10.11,(8.58,-11.96,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16838 CN(C)CCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:5:7:10.9:12.13,(7.25,-11.19,;8.58,-11.96,;8.58,-13.5,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16839 OCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:12.14,16.17,TLB:13:12:8.7:10.11,THB:3:5:8.7:10.11,(8.58,-11.96,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16840 CC(C)(O)CC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:5:7:10.9:12.13,(8.82,-10.1,;9.91,-11.19,;11,-10.1,;8.58,-11.96,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16841 COCCC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:13.15,17.18,TLB:14:13:9.8:11.12,THB:4:6:9.8:11.12,(7.25,-11.19,;8.58,-11.96,;9.91,-11.19,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16842 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1ccccc1F |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;9.91,-11.19,;8.58,-11.96,;8.58,-13.5,;9.91,-14.27,;11.25,-13.5,;12.58,-14.27,)|
16843 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccccc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;8.58,-16.58,;9.91,-15.81,)|
16844 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1cccs1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;10,-14.41,;10.48,-15.87,;12.02,-15.87,;12.49,-14.41,)|
16845 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1ccsc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;10,-14.41,;10.48,-15.87,;12.02,-15.87,;12.49,-14.41,)|
16846 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CN1CCOCC1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;9.91,-15.81,;11.25,-16.58,;12.58,-15.81,;12.58,-14.27,)|
16847 COc1ccc(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1 |r,wU:16.18,20.21,TLB:17:16:12.11:14.15,THB:7:9:12.11:14.15,(12.56,-18.9,;11.23,-18.12,;11.24,-16.58,;9.91,-15.81,;9.91,-14.27,;11.25,-13.5,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,;12.58,-14.28,;12.57,-15.82,)|
16848 COc1cc(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc(OC)c1 |r,wU:15.17,19.20,TLB:16:15:11.10:13.14,THB:6:8:11.10:13.14,(15.24,-15.82,;13.9,-16.59,;12.57,-15.82,;12.58,-14.28,;11.25,-13.5,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,;9.91,-14.27,;9.91,-15.81,;8.57,-16.57,;8.57,-18.11,;11.24,-16.58,)|
16849 COc1ccc(OC)c(CC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)c1 |r,wU:19.21,23.24,TLB:20:19:15.14:17.18,THB:10:12:15.14:17.18,(8.57,-18.11,;8.57,-16.57,;9.91,-15.81,;11.24,-16.58,;12.57,-15.82,;12.58,-14.28,;13.91,-13.51,;15.4,-13.91,;11.25,-13.5,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,;9.91,-14.27,)|
16850 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1ccccn1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;9.91,-15.81,;11.25,-16.58,;12.58,-15.81,;12.58,-14.27,)|
16851 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1cccnc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;9.91,-15.81,;11.25,-16.58,;12.58,-15.81,;12.58,-14.27,)|
16852 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Cc1ccncc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;9.91,-15.81,;11.25,-16.58,;12.58,-15.81,;12.58,-14.27,)|
16853 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccccc1F |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;9.91,-15.81,;8.58,-16.58,;7.25,-15.81,;7.25,-14.27,;8.58,-13.5,;8.58,-11.96,)|
16854 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CCc1ccc(Cl)cc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;5.91,-16.58,;8.58,-16.58,;9.91,-15.81,)|
16855 COc1ccc(CCC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1 |r,wU:17.19,21.22,TLB:18:17:13.12:15.16,THB:8:10:13.12:15.16,(5.91,-18.12,;5.91,-16.58,;7.25,-15.81,;7.25,-14.27,;8.58,-13.5,;9.91,-14.27,;11.25,-13.5,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,;9.91,-15.81,;8.58,-16.58,)|
16856 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)OCc1ccccc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;8.58,-16.58,;9.91,-15.81,)|
16857 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CSc1ccccn1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;8.58,-16.58,;9.91,-15.81,)|
16858 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CSc1ccncc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;8.58,-16.58,;9.91,-15.81,)|
16859 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)Nc1ccccc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;9.91,-15.81,;11.25,-16.58,;12.58,-15.81,;12.58,-14.27,)|
16860 Cc1ccc(NC(=O)N2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1 |r,wU:15.17,19.20,TLB:16:15:11.10:13.14,THB:6:8:11.10:13.14,(11.25,-18.12,;11.25,-16.58,;9.91,-15.81,;9.91,-14.27,;11.25,-13.5,;11.25,-11.96,;12.58,-11.19,;13.91,-11.96,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,;12.58,-14.27,;12.58,-15.81,)|
16861 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1C(=O)NCc1ccccc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;13.91,-11.96,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;8.58,-16.58,;9.91,-15.81,)|
16862 CC(C)(C)CCN1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(O)=O |r,wU:13.15,17.18,TLB:14:13:9.8:11.12,THB:5:6:9.8:11.12,(9.91,-14.27,;11.25,-13.5,;12.58,-14.27,;11.25,-15.04,;11.25,-11.96,;12.58,-11.19,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,)|
16863 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1CCCc1ccccc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;11.25,-11.96,;11.25,-13.5,;9.91,-14.27,;8.58,-13.5,;7.25,-14.27,;7.25,-15.81,;8.58,-16.58,;9.91,-15.81,)|
16864 Cc1ccc(CCN2C3CCC(CC3)[C@H]2C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)C(O)=O)cc1 |r,wU:14.16,18.19,TLB:15:14:10.9:12.13,THB:6:7:10.9:12.13,(11.25,-18.12,;11.25,-16.58,;9.91,-15.81,;9.91,-14.27,;11.25,-13.5,;11.25,-11.96,;12.58,-11.19,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,;12.1,-8.77,;13.43,-8,;13.43,-6.46,;14.76,-8.77,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;17.43,-8.77,;18.76,-8,;17.43,-10.31,;12.58,-14.27,;12.58,-15.81,)|
16865 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccccc1 |r,wU:25.26,3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.58,-11.19,;11.25,-11.96,;9.91,-11.19,;8.58,-11.96,;8.58,-13.5,;9.91,-14.27,;11.25,-13.5,)|
16866 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@H]1NC2CCC1CC2 |r,wU:25.26,3.23,TLB:23:25:29.28:31.32,(18.76,-8,;17.43,-8.77,;17.43,-10.31,;16.1,-8,;16.1,-6.46,;17.43,-5.69,;17.43,-4.15,;18.76,-3.38,;20.1,-4.15,;21.43,-3.38,;22.77,-4.15,;22.77,-5.69,;24.1,-3.38,;24.13,-1.84,;22.82,-1.04,;25.48,-1.1,;26.8,-1.9,;26.77,-3.44,;25.42,-4.18,;25.38,-5.72,;20.1,-5.69,;18.76,-6.46,;14.76,-8.77,;13.43,-8,;13.43,-6.46,;12.1,-8.77,;12.58,-9.65,;11.25,-8.88,;11.25,-7.34,;10.76,-6.46,;10.76,-8,;9.43,-8.77,;9.91,-9.65,)|
16867 OC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 |r,wU:25.26,wD:3.23,TLB:23:25:27.28:31.30,THB:33:32:27.28:31.30,(12.01,-6.54,;13.34,-5.77,;13.34,-4.23,;14.67,-6.54,;16.01,-5.77,;17.34,-6.54,;18.67,-5.77,;20.01,-6.54,;20.01,-8.08,;21.34,-8.85,;22.67,-8.08,;22.67,-6.54,;24.01,-8.85,;25.34,-8.08,;25.34,-6.54,;26.68,-8.85,;26.68,-10.39,;25.34,-11.16,;24.01,-10.39,;22.67,-11.16,;18.67,-8.85,;17.34,-8.08,;14.67,-8.08,;13.58,-9.17,;13.98,-10.66,;12.1,-8.77,;10.76,-8,;10.76,-6.46,;11.25,-7.34,;11.25,-8.88,;9.91,-9.65,;9.43,-8.77,;12.58,-9.65,;12.18,-11.14,;13.67,-11.54,;12.18,-12.68,;10.69,-11.54,;10.25,-13.01,;8.75,-13.37,;7.7,-12.25,;8.14,-10.78,;9.64,-10.42,)|
16868 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16869 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(N)=O |r|
16870 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CSC[C@H]1C(N)=O |r|
16871 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CSC[C@@H]1C(N)=O |r|
16872 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1CC(N)=O |r|
16873 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCCC(C1)C(N)=O |r|
16874 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCCC[C@H]1C(N)=O |r|
16875 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCCC[C@@H]1C(N)=O |r|
16876 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC2(CC1)N(CN(CC(N)=O)C2=O)c1ccccc1 |r|
16877 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CC(C[C@H]1C(N)=O)OCc1ccccc1 |r|
16878 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O |r|
16879 [H][C@]12CCC(NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCC)NC(=O)Cc3ccc(NC(=O)Nc4ccccc4C)cc3)[C@@H](C)CC)C(=O)N1[C@@H](CS2)C(N)=O |r|
16880 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC(CC1)C(N)=O |r|
16881 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)Nc1cccc(c1)C(N)=O |r|
16882 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CC(O)C[C@H]1C(N)=O |r|
16883 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1)C(N)=O |r|
16884 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)NC1CCCC1C(N)=O |r|
16885 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
16886 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(N)=O |r|
16887 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NC1(CC1)C(=O)N1CCC[C@H]1C(N)=O |r|
16888 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16889 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NC(CC)CC(=O)N1CCC[C@H]1C(N)=O |r|
16890 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)CC(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16891 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CCCC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16892 CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
16893 CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)=C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
16894 CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(C)C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
16895 CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1CC1)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
16896 CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O |r|
16897 CCCC(CCC)(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16898 CCCC(=O)NC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16899 CCC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CNC(=O)CC(C)C)NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N1CCC[C@H]1C(N)=O |r|
16900 CCCCC(=O)NC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16901 CCCCCCC(=O)NC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16902 CCCC[C@H](NC(=O)Cc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16903 CCCC[C@H](NC(=O)Cc1ccccc1NC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16904 CCCC[C@H](NC(=O)COc1ccccc1NC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16905 CCCC[C@H](NC(=O)CCCc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16906 CCCC[C@H](NC(=O)\C=C\c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16907 CCCC[C@H](NC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16908 CCCC[C@H](NC(=O)C(C)c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16909 CCCC[C@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16910 CCCC[C@H](NC(=O)c1ccc(o1)-c1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16911 CCCC[C@H](NC(=O)OCc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16912 CCCC[C@H](NC(=O)Oc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16913 CCCC[C@H](NC(=O)Nc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16914 CCCC[C@H](NC(=O)Nc1cccc(NC(=O)Nc2ccccc2C)c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16915 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2c(C)cccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16916 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2Br)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16917 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C(C)C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16918 CCCC[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2Oc2ccccc2)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@H]1C(N)=O |r|
16919 N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|
16920 N[C@H](COc1cncc(c1)-c1cc2cnccc2s1)Cc1c[nH]c2ccccc12 |r|
16921 N[C@H](COc1cncc(c1)-c1ccc2nonc2c1)Cc1c[nH]c2ccccc12 |r|
16922 N[C@H](COc1cncc(c1)-c1ccc2CC(=O)Nc2c1)Cc1c[nH]c2ccccc12 |r|
16923 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
16924 N[C@H](COc1cncc(c1)-c1cnc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
16925 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(=O)c2c1)Cc1c[nH]c2ccccc12 |r|
16926 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(N=O)c2c1)Cc1c[nH]c2ccccc12 |r|
16927 N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)[nH]c2c1)Cc1c[nH]c2ccccc12 |r|
16928 N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)n(CC#N)c2c1)Cc1c[nH]c2ccccc12 |r|
16929 N[C@H](COc1cncc(c1)-c1ccc2n(CC#N)c(=O)[nH]c2c1)Cc1c[nH]c2ccccc12 |r|
16930 N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)oc2c1)Cc1c[nH]c2ccccc12 |r|
16931 N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12 |r|
16932 N[C@H](COc1cncc(c1)-c1ccc2NS(=O)(=O)Nc2c1)Cc1c[nH]c2ccccc12 |r|
16933 CC1(C)C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16934 CC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16935 CCC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16936 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(Cc3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
16937 CC(C)=C1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r,wU:20.22,(-12.05,2.37,;-10.54,2.69,;-9.45,1.6,;-10.07,4.16,;-10.97,5.4,;-12.51,5.4,;-10.07,6.65,;-8.6,6.17,;-7.27,6.94,;-5.93,6.17,;-5.93,4.63,;-7.27,3.86,;-8.6,4.63,;-4.6,3.86,;-4.6,2.32,;-3.27,1.55,;-1.93,2.32,;-1.93,3.86,;-.6,4.63,;.73,3.86,;2.07,4.63,;2.07,6.17,;3.4,3.86,;4.74,4.63,;4.28,6.1,;5.53,6.99,;6.77,6.07,;8.28,6.37,;9.3,5.22,;8.8,3.76,;7.29,3.46,;6.28,4.61,;-3.27,4.63,)|
16938 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(F)(F)c2c1)Cc1c[nH]c2ccccc12 |r|
16939 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CC3)c2c1)Cc1c[nH]c2ccccc12 |r|
16940 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
16941 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc(Cl)cc3Cl)c2c1)Cc1c[nH]c2ccccc12 |r|
16942 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccnc3)c2c1)Cc1c[nH]c2ccccc12 |r|
16943 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccn3)c2c1)Cc1c[nH]c2ccccc12 |r|
16944 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
16945 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CCCN3)c2c1)Cc1c[nH]c2ccccc12 |r|
16946 Cn1cccc1\C=C1/C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16947 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cc[nH]c3)c2c1)Cc1c[nH]c2ccccc12 |r|
16948 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1)Cc1c[nH]c2ccccc12 |r|
16949 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ncc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
16950 CCc1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)c1C |r|
16951 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccs3)c2c1)Cc1c[nH]c2ccccc12 |r|
16952 Cc1ccc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)o1 |r|
16953 Cc1cc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)oc1C |r|
16954 N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16955 N[C@H](COc1cnc(C#N)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16956 N[C@H](COc1cnc(C=C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16957 N[C@H](COc1cnc(-c2ccco2)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16958 N[C@H](COc1cnc(C#C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16959 N[C@H](COc1cnc(C#Cc2ccccc2)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16960 N[C@H](COc1cc(cnc1Cl)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
16961 Cc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1 |r|
16962 N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1\C=C\C#N)Cc1c[nH]c2ccccc12 |r|
16963 N[C@H](COc1cncc(c1)-c1ccc2c(F)nccc2c1)Cc1c[nH]c2ccccc12 |r|
16964 N[C@H](COc1cncc(c1)-c1ccc2c(cc[nH]c2=O)c1)Cc1c[nH]c2ccccc12 |r|
16965 N[C@H](COc1cncc(c1)-c1ccc2c(Cl)nccc2c1)Cc1c[nH]c2ccccc12 |r|
16966 COc1nccc2cc(ccc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16967 N[C@H](COc1cncc(c1)-c1ccc2c(N)nccc2c1)Cc1c[nH]c2ccccc12 |r|
16968 N[C@H](COc1cncc(c1)-c1ccc2cnc(F)cc2c1)Cc1c[nH]c2ccccc12 |r|
16969 N[C@H](COc1cncc(c1)-c1ccc2cnc(Cl)cc2c1)Cc1c[nH]c2ccccc12 |r|
16970 N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)C#N)Cc1c[nH]c2ccccc12 |r|
16971 CCc1cc2cc(ccc2cn1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16972 N[C@H](COc1cncc(c1)-c1ccc2cnc(C=C)cc2c1)Cc1c[nH]c2ccccc12 |r|
16973 N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)-c1ccco1)Cc1c[nH]c2ccccc12 |r|
16974 N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)-c1ccccc1)Cc1c[nH]c2ccccc12 |r|
16975 N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
16976 CC#Cc1cc2cc(ccc2cn1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16977 N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)C#Cc1ccccc1)Cc1c[nH]c2ccccc12 |r|
16978 N[C@H](COc1cncc(c1)-c1ccc2cnc(N)cc2c1)Cc1c[nH]c2ccccc12 |r|
16979 N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1N)Cc1c[nH]c2ccccc12 |r|
16980 Cc1cc(cc2ccncc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
16981 NC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
16982 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(O)=O)c2c1
16983 Cc1c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)[nH]cc1C(O)=O
16984 Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(NC(N)=O)cc12
16985 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c(C)c1CCC(O)=O
16986 CN(C)CCNC(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
16987 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCCCC3)c2c1
16988 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCN3CCOCC3)c2c1
16989 CN(C)[C@H]1CCN(C1)C(=O)c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1 |r|
16990 NC(=O)Nc1ccc2NC(=O)C(=Cc3cc(c[nH]3)C(=O)NCCc3cnc[nH]3)c2c1 |w:12.12|
16991 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)C(=O)NCCc3ccncc3)c2c1
16992 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3ccccc3)c2c1
16993 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccnc3)c2c1
16994 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(O)=O)c2c1
16995 CN(C)CCNC(=O)c1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
16996 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(=O)NCCN3CCCCC3)c2c1
16997 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(O)c3)c2c1
16998 COc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
16999 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(F)c3)c2c1
17000 Cc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
17001 NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(N)=O)c2c1
17002 CC(=O)Nc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
17003 NCc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
17004 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
17005 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CN)c[nH]1
17006 CC(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
17007 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2ccncc2)c[nH]1
17008 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)c2cccnc2)c[nH]1
17009 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CCNCC2)c[nH]1
17010 CN1CCC(CC1)C(=O)NCc1c[nH]c(c1)C(\C)=C1/C(=O)Nc2ccc(NC(N)=O)cc12
17011 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)C2CNCCN2)c[nH]1
17012 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CN)c[nH]1
17013 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CO)c[nH]1
17014 C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1
17015 O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
17016 Cc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
17017 Cc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17018 Cc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
17019 Oc1cccc2NC(=O)\C(=C/c3ccc[nH]3)c12
17020 Oc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17021 Oc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
17022 Oc1cccc2\C(=C\c3ccc[nH]3)C(=O)Nc12
17023 C\C(=C1\C(=O)Nc2ccc(O)cc12)c1ccc[nH]1
17024 Cc1cc[nH]c1\C=C1/C(=O)Nc2ccc(O)cc12
17025 Cc1c[nH]c(\C=C2/C(=O)Nc3ccc(O)cc23)c1
17026 Cc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
17027 CCc1ccc(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
17028 Cc1cc(C)c(\C=C2/C(=O)Nc3ccc(O)cc23)[nH]1
17029 COc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17030 NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17031 COC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17032 OC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17033 NC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17034 O=C1Nc2ccc(cc2C1=Cc1ccc[nH]1)-c1nnn[nH]1 |w:10.12|
17035 Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17036 O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)C#N
17037 NCc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17038 CS(=O)(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17039 CC(=O)Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
17040 C\C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)c1ccc[nH]1
17041 CC\C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)c1ccc[nH]1
17042 NS(=O)(=O)c1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3ccccc3)c2c1
17043 CCOC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
17044 NS(=O)(=O)c1ccc2NC(=O)\C(=C(\C(O)=O)c3ccc[nH]3)c2c1
17045 NC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
17046 CCNC(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
17047 CCN(CC)C(=O)C(=C1\C(=O)Nc2ccc(cc12)S(N)(=O)=O)\c1ccc[nH]1
17048 CC\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1
17049 NC(=O)Nc1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3cccc(N)c3)c2c1
17050 NC(=O)Nc1ccc2NC(=O)\C(=C(/c3ccc[nH]3)c3ccncc3)c2c1
17051 Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
17052 Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc1cnc[nH]1
17053 CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br
17054 [H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
17056 COc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17057 Nc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17058 COC(=O)c1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17059 Oc1cc2N(C(=O)NCc2c(c1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17060 Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
17061 CC(C)N1CCC(CC1)c1cc2N(C(=O)NCc2c(c1)-c1ccc(F)cc1F)c1c(Cl)cccc1Cl
17062 CSc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17063 CS(=O)(=O)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17064 Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17065 CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17066 CN(C)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17067 CC(C)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17068 CC(C)(C)CNc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17069 Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCc2[nH]ncc2C1
17070 Clc1ccccc1-c1nc(=O)[nH]c2N(C(=O)NCc12)c1c(Cl)cccc1Cl
17071 COCCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
17072 CN(C)CCNc1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
17073 CN(C)CCOc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17074 CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17075 CN(C)CCN1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
17076 CC(C)N1CCN(CC1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
17077 Clc1ccccc1-c1nc(NN2CCOCC2)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl
17078 Clc1ccccc1-c1nc(nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCOCC1
17079 C[C@H]1CN(C[C@@H](C)O1)c1nc2N(C(=O)NCc2c(n1)-c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl |r|
17080 Clc1ccccc1-c1nc(NC2CN3CCC2CC3)nc2N(C(=O)NCc12)c1c(Cl)cccc1Cl |(1.29,-3.87,;-.05,-4.64,;-.05,-6.18,;-1.38,-6.95,;-2.71,-6.18,;-2.71,-4.64,;-1.38,-3.87,;-1.38,-2.33,;-.04,-1.57,;-.03,-.03,;1.3,.74,;2.84,.74,;3.68,1.98,;5.44,1.98,;6.41,.71,;5.48,-.48,;3.78,-.48,;5.19,.21,;4.58,.89,;-1.36,.75,;-2.7,-.01,;-4.03,.77,;-5.36,.01,;-6.69,.79,;-5.37,-1.53,;-4.05,-2.31,;-2.71,-1.55,;-4.03,2.31,;-5.36,3.08,;-6.69,2.31,;-5.36,4.62,;-4.03,5.39,;-2.69,4.62,;-2.69,3.08,;-1.36,2.31,)|
17081 CN1C2CCC1CC(C2)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17082 CC(C)N1CCC(CC1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17083 CC1(C)CC(CC(C)(C)N1)Nc1nc2N(C(=O)NCc2c(n1)-c1ccccc1Cl)c1c(Cl)cccc1Cl
17084 Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(F)cc1
17085 CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
17086 CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)c2Cl)CC1
17087 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cc2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
17088 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN(C)CC2)c1Cl
17089 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN)c1Cl
17090 CNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17091 CCNCc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17092 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CNC(C)C)c1Cl
17093 CCN(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17094 CCN(CC)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17095 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOCC2)c1Cl
17096 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCCC2)c1Cl
17097 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCC(O)CC2)c1Cl
17098 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCO)c1Cl
17099 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCO)c1Cl
17100 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)O)c1Cl
17101 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(C)(C)O)c1Cl
17102 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CC(O)CO)c1Cl
17103 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCCN(C)C)c1Cl
17104 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)CCN2CCCC2)c1Cl
17105 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)S(C)(=O)=O)c1Cl
17106 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(N)=O)c1Cl
17107 CCNC(=O)N(C)Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17108 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCO)c1Cl
17109 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCN2CCCC2)c1Cl
17110 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(=O)NCCC(O)=O)c1Cl
17111 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCO2)c1Cl |t:31|
17112 CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1 |t:35|
17113 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(CC(F)(F)F)C2=NCCO2)c1Cl |t:35|
17114 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C2=NCCO2)C(C)(C)C)c1Cl |t:30|
17115 COCCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1 |t:37|
17116 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCC(C)O2)c1Cl |t:31|
17117 CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NC(C)CO1 |t:35|
17118 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCCO2)c1Cl |t:31|
17119 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2nc(O)co2)c1Cl
17120 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCS2)c1Cl |t:31|
17121 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2ncco2)c1Cl
17122 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C2=NCCC2)c1Cl |t:31|
17123 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCOC2=N)c1Cl
17124 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCSC2=N)c1Cl
17125 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCNC2=N)c1Cl
17126 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2cc(O)nc2N)c1Cl
17127 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2SC)c1Cl |c:32|
17128 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2C)c1Cl |c:32|
17129 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN2CCN=C2)c1Cl |c:32|
17130 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(C)=N)c1Cl
17131 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)C(N)=N)c1Cl
17132 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2)c1Cl
17133 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2C)c1Cl
17134 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2N)c1Cl
17135 CNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17136 CCNc1nccn1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
17137 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(Cn2ccnc2NC(C)C)c1Cl
17138 COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1NC(=O)c1scc(CN(C)c2ncc[nH]2)c1Cl
17139 CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NC(CCC\[NH+]=C(/N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
17140 O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r|
17141 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17142 [O-][N+](=O)c1ccccc1-c1ccc(\C=C2/SC(=N)NC2=O)o1
17143 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17144 CNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17145 CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17146 N=C1NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCNCC1
17147 N=C1NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
17148 NC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17149 NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17150 NS(=O)(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=N)NC2=O)o1
17151 C\C(=C1\SC(=N)NC1=O)c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O
17152 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
17153 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
17154 COc1cc(ccc1NC(=O)Nc1ccccc1)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17155 CC(C)C[C@H](NC(=O)COc1ccccc1C)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCC(CC2)C(N)=O)cc1)C([O-])=O
17156 COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17157 COc1cc(ccc1NC(=O)Nc1ccccc1C(C)C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17158 COc1ccccc1NC(=O)Nc1ccc(cc1OC)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17159 COc1cc(ccc1NC(=O)Nc1ccccc1Br)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17160 COc1cc(ccc1NC(=O)Nc1ccccc1NC(C)=O)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17161 COc1cc(ccc1NC(=O)Nc1cccc(C)c1C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17162 COc1cc(ccc1NC(=O)Nc1ccc(C)cc1C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17163 COc1cc(ccc1NC(=O)Nc1cc(C)ccc1C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17164 COc1cc(ccc1NC(=O)Nc1c(C)cccc1C)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17165 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccc(CCC(O)=O)cc2)c1=O
17166 C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3)c2=O)cc1 |r|
17167 C[C@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3)c2=O)cc1 |r|
17168 COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@@H](C)CC(O)=O)c1=O |r|
17169 COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@H](C)CC(O)=O)c1=O |r|
17170 C[C@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(Cl)c3)c2=O)cc1 |r|
17171 C[C@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(OC(F)(F)F)c3)c2=O)cc1 |r|
17172 CCOc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@H](C)CC(O)=O)c1=O |r|
17173 CCc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@H](C)CC(O)=O)c1=O |r|
17174 C[C@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(C)c3)c2=O)cc1 |r|
17175 C[C@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3Cl)c2=O)cc1 |r|
17176 C[C@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3C)c2=O)cc1 |r|
17177 C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(Cl)c3)c2=O)cc1 |r|
17178 C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(OC(F)(F)F)c3)c2=O)cc1 |r|
17179 CCOc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@@H](C)CC(O)=O)c1=O |r|
17180 CCc1cc(ccc1NC(=O)Nc1ccccc1C)-c1cccn(Cc2ccc(cc2)[C@@H](C)CC(O)=O)c1=O |r|
17181 C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)c(C)c3)c2=O)cc1 |r|
17182 C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3Cl)c2=O)cc1 |r|
17183 C[C@@H](CC(O)=O)c1ccc(Cn2cccc(-c3ccc(NC(=O)Nc4ccccc4C)cc3C)c2=O)cc1 |r|
17184 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ccn(Cc2ccc(CCC(O)=O)cc2)n1
17185 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncn(Cc2ccc(CCC(O)=O)cc2)n1
17186 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(CCC(O)=O)cc2)cn1
17187 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cnn(Cc2ccc(CCC(O)=O)cc2)c1
17188 COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1ccn(Cc2ccc(CCC(O)=O)cc2)n1
17189 COc1cc(ccc1NC(=O)Nc1ccccc1C)-c1nnc(Cc2ccc(CCC(O)=O)cc2)o1
17190 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(-c2ccc(CCC(O)=O)cc2)c1=O
17191 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2cccc(CCC(O)=O)c2)c1=O
17192 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccccc2CCC(O)=O)c1=O
17193 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccc(CC(O)=O)cc2)c1=O
17194 Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(Cc2ccc(cc2)C(O)=O)c1=O
17195 C[C@H](CC(O)=O)c1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)cc2)cc1 |r|
17196 COc1cc(CC(=O)Nc2ccc(cc2)[C@H](C)CC(O)=O)ccc1NC(=O)Nc1ccccc1C |r|
17197 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl
17198 COc1cccc(OC)c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2n1
17199 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1ccc(Cl)cc1Cl)NC(=O)c1c(Cl)cccc1Cl
17200 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(F)cccc1F)NC(=O)c1c(Cl)cccc1Cl
17201 Cc1cccc(C)c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2n1
17202 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(F)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl
17203 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1[N+]([O-])=O)NC(=O)c1c(Cl)cccc1Cl
17204 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1ccccc1)NC(=O)c1c(Cl)cccc1Cl
17205 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1ccccc1Br)NC(=O)c1c(Cl)cccc1Cl
17206 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1ccccc1C(F)(F)F)NC(=O)c1c(Cl)cccc1Cl
17207 COc1ccc2ccccc2c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2n1
17208 CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2n1
17209 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1ccncc1)NC(=O)c1c(Cl)cccc1Cl
17210 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1cc(Cl)nc(Cl)c1)NC(=O)c1c(Cl)cccc1Cl
17211 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1nccs1)NC(=O)c1c(Cl)cccc1Cl
17212 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1cc(ccc1Cl)C(F)(F)F)NC(=O)c1c(Cl)cccc1Cl
17213 COc1cccc(OC)c1C(=O)NC(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)C(O)=O
17214 Cc1cccc(C)c1C(=O)NC(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)C(O)=O
17215 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(F)cccc1F
17216 Cc1cccc(Cl)c1C(=O)NC(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)C(O)=O
17217 CS(=O)(=O)c1ccc(C(=O)NC(Cc2ccc3nc(ccc3c2)-c2c(Cl)cccc2Cl)C(O)=O)c(Cl)c1
17218 Cc1cc(Cl)c(C(=O)NC(Cc2ccc3nc(ccc3c2)-c2c(Cl)cccc2Cl)C(O)=O)c(Cl)n1
17219 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1ccccc1
17220 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)C1(CCCC1)c1ccc(Cl)cc1
17221 OC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 |r|
17222 OC(=O)[C@H](Cc1ccc(NC(=O)c2ccncc2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 |r,wU:23.24,3.21,TLB:21:23:26.25:28.29,THB:31:30:26.25:28.29,(27.15,-19.67,;25.82,-18.9,;24.49,-19.67,;25.82,-17.36,;27.15,-16.59,;28.49,-17.36,;29.82,-16.59,;31.15,-17.36,;31.15,-18.9,;32.49,-19.67,;33.82,-18.9,;33.82,-17.36,;35.16,-19.67,;35.16,-21.21,;36.49,-21.98,;37.82,-21.21,;37.82,-19.67,;36.49,-18.9,;29.82,-19.67,;28.49,-18.9,;24.49,-16.59,;24.09,-15.1,;25.18,-14.01,;22.6,-14.71,;22.6,-13.17,;23.93,-12.4,;23.45,-13.27,;22.12,-14.04,;20.78,-13.27,;21.27,-12.4,;22.12,-15.58,;21.35,-16.92,;20.95,-18.41,;22.68,-17.69,;19.81,-16.92,;19.04,-15.58,;17.5,-15.58,;16.73,-16.92,;17.5,-18.25,;19.04,-18.25,)|
17223 OC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)nc(Cl)c2)cc1)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 |r,wU:25.26,3.23,TLB:23:25:28.27:30.31,THB:33:32:28.27:30.31,(27.15,-19.67,;25.82,-18.9,;24.49,-19.67,;25.82,-17.36,;27.15,-16.59,;28.49,-17.36,;29.82,-16.59,;31.15,-17.36,;31.15,-18.9,;32.49,-19.67,;33.82,-18.9,;33.82,-17.36,;35.16,-19.67,;36.49,-18.9,;37.82,-19.67,;39.16,-18.9,;37.82,-21.21,;36.49,-21.98,;36.49,-23.52,;35.16,-21.21,;29.82,-19.67,;28.49,-18.9,;24.49,-16.59,;24.09,-15.1,;25.18,-14.01,;22.6,-14.71,;22.6,-13.17,;23.93,-12.4,;23.45,-13.27,;22.12,-14.04,;20.78,-13.27,;21.27,-12.4,;22.12,-15.58,;21.35,-16.92,;20.95,-18.41,;22.68,-17.69,;19.81,-16.92,;19.04,-15.58,;17.5,-15.58,;16.73,-16.92,;17.5,-18.25,;19.04,-18.25,)|
17224 OC(=O)[C@H](Cc1ccc(cc1)N1C(=O)c2ccccc2C1=O)NC(=O)[C@@H]1C2CCC(CC2)N1S(=O)(=O)c1ccccc1 |r,wU:25.27,3.24,TLB:23:25:28.27:30.31,THB:33:32:28.27:30.31,(27.15,-19.67,;25.82,-18.9,;24.49,-19.67,;25.82,-17.36,;27.15,-16.59,;28.49,-17.36,;29.82,-16.59,;31.15,-17.36,;31.15,-18.9,;29.82,-19.67,;28.49,-18.9,;32.49,-19.67,;33.86,-18.98,;34.11,-17.46,;34.95,-20.07,;36.49,-19.99,;37.32,-21.29,;36.62,-22.66,;35.08,-22.73,;34.24,-21.44,;32.72,-21.19,;31.63,-22.28,;24.49,-16.59,;24.09,-15.1,;25.18,-14.01,;22.6,-14.71,;22.6,-13.17,;23.93,-12.4,;23.45,-13.27,;22.12,-14.04,;20.78,-13.27,;21.27,-12.4,;22.12,-15.58,;21.35,-16.92,;20.95,-18.41,;22.68,-17.69,;19.81,-16.92,;19.04,-15.58,;17.5,-15.58,;16.73,-16.92,;17.5,-18.25,;19.04,-18.25,)|
17225 CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C3CCC(CC3)N2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r,wU:15.14,11.11,TLB:13:15:18.17:20.21,THB:23:22:18.17:20.21,(36.49,-18.9,;35.16,-19.67,;35.16,-21.21,;33.82,-18.9,;33.82,-17.36,;32.49,-19.67,;31.15,-18.9,;31.15,-17.36,;29.82,-16.59,;28.49,-17.36,;27.15,-16.59,;25.82,-17.36,;24.49,-16.59,;24.09,-15.1,;25.18,-14.01,;22.6,-14.71,;22.6,-13.17,;23.93,-12.4,;23.45,-13.27,;22.12,-14.04,;20.78,-13.27,;21.27,-12.4,;22.12,-15.58,;21.35,-16.92,;20.95,-18.41,;22.68,-17.69,;19.81,-16.92,;19.04,-15.58,;17.5,-15.58,;16.73,-16.92,;17.5,-18.25,;19.04,-18.25,;25.82,-18.9,;27.15,-19.67,;24.49,-19.67,;28.49,-18.9,;29.82,-19.67,)|
17226 Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
17227 Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17228 Cc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17229 Cc1cccc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
17230 Cc1ccc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2c1
17231 Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17232 CN(C)Cc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17233 CN(C)Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17234 CN1CCN(Cc2c(sc3ccccc23)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
17235 CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
17236 OC(=O)CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
17237 Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17238 Cc1cc(Cl)c(s1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17239 CN1CCN(Cc2cc(Cl)c(s2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
17240 Clc1c(CN2CCOCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17241 Clc1cc(CN2CCOCC2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17242 Clc1c(Cn2ccnc2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17243 Clc1cc(Cn2ccnc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17244 CN1CCN(Cc2c(C)sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
17245 CN1CCN(Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C)CC1
17246 CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC
17247 CCCN1Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C1
17248 CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
17249 CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
17250 Clc1c(CN2CCSCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17251 CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17252 CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17253 CN(CC(O)CO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17254 OCCOCCNCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17255 CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17256 CN(C)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17257 CCN(CC)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17258 CN(C)CCCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17259 CN(CCN1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17260 Clc1c(CNCCCn2ccnc2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17261 CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C1CCN(C)CC1
17262 Clc1c(Cn2cccn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17263 Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17264 Clc1c(Cn2ccnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17265 Clc1c(Cn2nccn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17266 Clc1c(Cn2cnnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17267 Clc1c(Cn2ncnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
17268 CSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17269 CS(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17270 CS(=O)(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17271 CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17272 COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17273 COCCOCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17274 CC1(C)OCC(COCc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)O1
17275 OCC(O)COCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
17276 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCC1 |r,TLB:10:7:24:2.3|
17277 NC(=N)c1ccc(\C=C2\CCCC\C(=C\c3ccc(cc3)C(N)=N)C2=O)cc1
17278 Cc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2cccc(c2)C(N)=N)c1F
17279 NC(=N)c1ccc(O)c(Oc2cc(cc(Oc3cccc(c3)C3=NCCN3)n2)C(O)=O)c1 |t:23|
17280 CN1CCN=C1c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)c(F)c(N3CCCC(C3)C(O)=O)c2F)c1 |c:4|
17281 CC(=N)N1CCC(CC1)Oc1ccc2c(c1)n(Cc1ccc3ccc(cc3c1)C(N)=N)c1ccccc21
17282 CC(=N)N1CCC(CC1)Oc1ccc2nc(C)n(Cc3ccc4ccc(cc4c3)C(N)=N)c2c1
17283 CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O |r|
17284 CN(CC(O)=O)c1c(F)c(Oc2cccc(c2)C2=NCCN2C)nc(Oc2cc(ccc2O)C(N)=N)c1F |t:18|
17285 C[C@]12CCC3C(CCc4cc(ccc34)C(N)=O)C1CC[C@@]21CCC(C)(C)C(=O)O1 |r|
17286 COCCOc1cc2CCC3C4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CCC3c2cc1C(=O)ON |r|
17287 COCCOc1cc2CCC3C4CC[C@@]5(CCC(C)(C)C(=O)O5)[C@@]4(C)CCC3c2cc1C#N |r|
17288 [H][C@@]12CC(CCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
17289 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
17290 [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
17291 [H][C@@]12CC(CCCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
17292 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
17293 CCCCCCCCC(=O)OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12
17294 CCCCCCCCC[C@H]1CC2C3CCc4cc(O)ccc4C3CC[C@]2(C)[C@H]1O
17295 CCOC(=O)CO\N=C(\c1ccccn1)C1(CC1)c1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
17297 Cc1nc2ccccc2n1Cc1ccc2n(C)c(CNc3ccc(cc3)C(N)=N)nc2c1
17298 Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C1(CC1)C(=O)N1CCCC1
17299 CC[C@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|
17300 CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCSC1 |r|
17304 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 |r|
17305 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(C)cc1 |r|
17306 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(C)cc1 |r|
17307 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|
17308 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(=O)c1ccc(F)cc1 |r|
17309 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|
17310 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(NC(C)=O)cc1 |r|
17311 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|
17312 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)c1ccc(cc1)N(C)C(C)=O |r|
17313 [NH3+][C@@H](C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F)C(=O)N1CC[C@H](F)C1 |r,wU:1.0,wD:25.27,(-1.19,3.31,;-1.19,4.85,;-2.52,5.62,;-2.52,7.16,;-3.86,7.93,;-5.19,7.16,;-5.19,5.62,;-3.86,4.85,;-6.53,7.93,;-7.86,7.16,;-8.63,5.83,;-7.09,5.83,;-9.19,7.93,;-10.53,7.16,;-11.86,7.93,;-11.86,9.47,;-13.19,10.24,;-10.53,10.24,;-9.19,9.47,;-7.86,10.24,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|
17314 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F |r,wU:6.6,wD:13.13,5.4,(-5.19,7.16,;-3.86,7.93,;-3.86,9.47,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-14.53,.23,;-13.19,2.54,;-11.86,3.31,;-11.86,4.85,)|
17315 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(F)cc1F |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-14.53,.23,;-13.19,2.54,;-11.86,3.31,;-11.86,4.85,)|
17316 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-11.86,3.31,;-13.19,2.54,;-13.19,1,;-14.53,.23,;-14.53,-1.31,;-15.86,-2.08,;-14.53,-2.85,;-13.19,-2.08,;-11.86,.23,;-10.53,1,)|
17317 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-9.19,3.31,;-8.42,4.65,;-9.96,4.65,;-10.53,2.54,;-11.86,3.31,;-13.19,2.54,;-13.19,1,;-14.53,.23,;-14.53,-1.31,;-15.86,-2.08,;-14.53,-2.85,;-13.19,-2.08,;-11.86,.23,;-10.53,1,)|
17318 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1 |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-13.19,2.54,;-14.53,3.31,;-11.86,3.31,)|
17319 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-13.19,1,;-13.19,2.54,;-14.53,3.31,;-11.86,3.31,)|
17320 COc1ccc(cc1)C(=O)NC1CCC(CC1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r,wU:19.21,wD:26.28,17.19,(-14.53,-1.31,;-14.53,.23,;-13.19,1,;-13.19,2.54,;-11.86,3.31,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-9.19,3.31,;-9.19,4.85,;-7.86,2.54,;-6.53,3.31,;-6.53,4.85,;-5.19,5.62,;-3.86,4.85,;-3.86,3.31,;-5.19,2.54,;-2.52,5.62,;-2.52,7.16,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|
17321 COc1ccc(cc1)C(=O)N(C)C1CCC(CC1)[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 |r,wU:20.22,wD:27.29,18.20,(-14.53,-1.31,;-14.53,.23,;-13.19,1,;-13.19,2.54,;-11.86,3.31,;-10.53,2.54,;-10.53,1,;-11.86,.23,;-9.19,3.31,;-9.19,4.85,;-7.86,2.54,;-7.86,1,;-6.53,3.31,;-6.53,4.85,;-5.19,5.62,;-3.86,4.85,;-3.86,3.31,;-5.19,2.54,;-2.52,5.62,;-2.52,7.16,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,)|
17322 CN(C)C(=O)[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:6.6,wD:13.13,5.4,(-3.86,9.47,;-3.86,7.93,;-5.19,7.16,;-2.52,7.16,;-1.19,7.93,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|
17323 C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(C)=O |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-10.53,2.54,;-9.19,4.85,)|
17324 C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)C1CC1 |r,wU:2.2,wD:9.9,1.0,(-2.52,7.16,;-2.52,5.62,;-1.19,4.85,;-1.19,3.31,;.14,5.62,;.14,7.16,;1.48,4.85,;2.72,5.76,;3.97,4.85,;3.49,3.39,;4.4,2.14,;1.95,3.39,;-3.86,4.85,;-5.19,5.62,;-6.53,4.85,;-6.53,3.31,;-5.19,2.54,;-3.86,3.31,;-7.86,2.54,;-7.86,1,;-9.19,3.31,;-9.19,4.85,;-10.53,2.54,;-12.07,2.49,;-11.25,1.19,)|
17325 CCCCN(CCC1CCCCC1)Cc1ccc(C(=O)N[C@@H](CCSC)C(O)=O)c(c1)-c1ccccc1C |r|
17326 CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)CN(Cc1cncs1)Cc1ccccc1)c1ccccc1C)C(O)=O |r,t:8|
17327 CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)N(Cc1cncs1)Cc1ccccc1)c1ccccc1C)C(O)=O |r,t:8|
17328 CSCC[C@H](NC(=O)C1=C(CN(CC1)C(=O)OC(CCC1CCCCC1)c1cncs1)c1ccccc1C)C(O)=O |r,t:8|
17329 Cn1cncc1CN(CC(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12)Cc1ccc(cc1)C#N |c:17|
17330 Cn1cncc1CN(CC(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12)Cc1ccccc1 |c:17|
17331 Cn1cncc1CN[C@H](Cc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27|
17332 Cn1cncc1CN[C@@H](Cc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27|
17333 Cn1cncc1C[C@@H](NCc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27|
17334 Cn1cncc1C[C@H](NCc1ccc(cc1)C#N)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:27|
17335 CN(Cc1ccc(cc1)C#N)[C@H](Cc1cncn1C)C(=O)N1CCC(C#N)=C(C1)c1cccc2ccccc12 |r,c:28|
17336 C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
17337 CC(C)C(NC(=O)C(C)[NH3+])C(=O)N1CCCC1C(=O)NC(CSCC(=O)c1ccc2cc(ccc2c1)N(C)C)C([O-])=O
17338 C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
17339 C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
17340 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1coc(n1)[C@H](C)N)C(O)=O |r|
17341 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
17343 CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
17344 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
17345 [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r|
17346 [H][C@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@H](C(=O)Nc1cc(C)nn1-c1ccccc1)C(C)(C)S2 |r|
17347 [H][C@@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r|
17348 [H][C@]12CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1[C@@H](CS2)C(=O)Nc1cc(C)nn1-c1ccccc1 |r|
17349 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
17350 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
17351 CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1 |r|
17352 C(Sc1nnc(Nc2ccccc2)[nH]1)c1ccccc1
17353 CSCC[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 |r|
17354 C(Sc1nnc(Nc2ccccc2)[nH]1)c1cccs1
17355 Cc1ccccc1Nc1nnc(SCc2ccccc2)[nH]1
17356 Cc1ccccc1CSc1nnc(Nc2ccccc2C)[nH]1
17357 COc1ccccc1CSc1nnc(Nc2ccccc2C)[nH]1
17358 Cc1ccccc1Nc1nnc(SCc2ccccc2F)[nH]1
17359 Cc1ccccc1Nc1nnc(SCc2ccc(F)c(F)c2)[nH]1
17360 Cc1ccccc1Nc1nnc(SCc2ccncc2)[nH]1
17361 Cc1ccccc1Nc1nnc(SCC2CCCCC2)[nH]1
17362 CC(C)=CCSc1nnc(Nc2ccccc2C)[nH]1 |(5.94,4.3,;4.59,5.03,;4.55,6.57,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-8.21,3.37,;-2.04,3.24,)|
17363 Cc1nc(CSc2nnc(Nc3ccccc3C)[nH]2)cs1
17364 Cc1cc(CSc2nnc(Nc3ccccc3C)[nH]2)no1
17365 Cc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
17366 Cc1ccc(Nc2nnc(SCc3ccccc3C)[nH]2)cc1
17367 COc1ccccc1CSc1nnc(Nc2ccc(C)cc2)[nH]1
17368 Cc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
17369 Cc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1
17370 Cc1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1
17371 Cc1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1
17372 Cc1ccc(Nc2nnc(SCC3CCCCC3)[nH]2)cc1
17373 CC(C)=CCSc1nnc(Nc2ccc(C)cc2)[nH]1 |(5.89,4.78,;4.42,5.25,;4.42,6.79,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,8.7,;-8.21,6.03,;-7.44,4.7,;-2.04,3.24,)|
17374 Cc1nc(CSc2nnc(Nc3ccc(C)cc3)[nH]2)cs1
17375 Cc1cc(CSc2nnc(Nc3ccc(C)cc3)[nH]2)no1
17376 Cc1ccc(Nc2nnc(SCc3cccs3)[nH]2)cc1
17377 Clc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
17378 Cc1ccccc1CSc1nnc(Nc2ccc(Cl)cc2)[nH]1
17379 COc1ccccc1CSc1nnc(Nc2ccc(Cl)cc2)[nH]1
17380 Fc1ccccc1CSc1nnc(Nc2ccc(Cl)cc2)[nH]1
17381 Fc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1F
17382 Clc1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1
17383 Clc1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1
17384 Clc1ccc(Nc2nnc(SCC3CCCCC3)[nH]2)cc1
17385 CC(C)=CCSc1nnc(Nc2ccc(Cl)cc2)[nH]1 |(5.94,4.35,;4.57,5.06,;4.5,6.59,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,8.7,;-8.21,6.03,;-7.44,4.7,;-2.04,3.24,)|
17386 Cc1nc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)cs1
17387 Cc1cc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)no1
17388 COc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
17389 COc1ccc(Nc2nnc(SCc3ccccc3OC)[nH]2)cc1
17390 COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
17391 COc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1
17392 COc1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1
17393 COc1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1
17394 COc1ccc(Nc2nnc(SCC3CCCCC3)[nH]2)cc1
17395 COc1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1 |(-9.75,8.7,;-8.21,8.7,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.51,5.15,;5.93,4.55,;4.32,6.68,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,)|
17396 COc1ccc(Nc2nnc(SCc3cc(C)on3)[nH]2)cc1
17397 COc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1OC
17398 COc1ccc(Nc2nnc(SCc3ccccc3C)[nH]2)cc1OC
17399 COc1ccccc1CSc1nnc(Nc2ccc(OC)c(OC)c2)[nH]1
17400 COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1OC
17401 COc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1OC
17402 COc1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1OC
17403 COc1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1OC
17404 COc1ccc(Nc2nnc(SCC3CCCCC3)[nH]2)cc1OC
17405 COc1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1OC |(-9.75,8.7,;-8.21,8.7,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.42,5.25,;5.89,4.78,;4.1,6.76,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,;-5.13,8.7,;-5.9,10.03,)|
17406 COc1ccc(Nc2nnc(SCc3csc(C)n3)[nH]2)cc1OC
17407 COc1ccc(Nc2nnc(SCc3cc(C)on3)[nH]2)cc1OC
17408 COC(=O)c1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
17409 COC(=O)c1ccc(Nc2nnc(SCc3ccccc3C)[nH]2)cc1
17410 COC(=O)c1ccc(Nc2nnc(SCc3ccccc3OC)[nH]2)cc1
17411 COC(=O)c1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
17412 COC(=O)c1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1
17413 COC(=O)c1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1
17414 COC(=O)c1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1
17415 COC(=O)c1ccc(Nc2nnc(SCC3CCCCC3)[nH]2)cc1
17416 COC(=O)c1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1 |(-10.52,10.03,;-9.75,8.7,;-8.21,8.7,;-7.44,10.03,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.42,5.25,;5.89,4.78,;4.1,6.76,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,)|
17417 COC(=O)c1ccc(Nc2nnc(SCc3csc(C)n3)[nH]2)cc1
17418 COC(=O)c1ccc(Nc2nnc(SCc3cc(C)on3)[nH]2)cc1
17419 C(Sc1nnc(Nc2ccccc2-c2ccccc2)[nH]1)c1ccccc1
17420 Cc1ccccc1CSc1nnc(Nc2ccccc2-c2ccccc2)[nH]1
17421 COc1ccccc1CSc1nnc(Nc2ccccc2-c2ccccc2)[nH]1
17422 Fc1ccccc1CSc1nnc(Nc2ccccc2-c2ccccc2)[nH]1
17423 Fc1ccc(CSc2nnc(Nc3ccccc3-c3ccccc3)[nH]2)cc1F
17424 C(Sc1nnc(Nc2ccccc2-c2ccccc2)[nH]1)c1ccncc1
17425 C(Sc1nnc(Nc2ccccc2-c2ccccc2)[nH]1)C1CCCCC1
17426 CC(C)=CCSc1nnc(Nc2ccccc2-c2ccccc2)[nH]1 |(5.94,4.11,;4.64,4.94,;4.71,6.48,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-8.21,3.37,;-9.69,3.76,;-10.78,2.67,;-10.38,1.19,;-8.89,.79,;-7.81,1.88,;-2.04,3.24,)|
17427 Cc1cc(CSc2nnc(Nc3ccccc3-c3ccccc3)[nH]2)no1
17428 C(Sc1nnc(Nc2cccnc2)[nH]1)c1ccccc1
17429 Cc1ccccc1CSc1nnc(Nc2cccnc2)[nH]1
17430 Fc1ccccc1CSc1nnc(Nc2cccnc2)[nH]1
17431 Fc1ccc(CSc2nnc(Nc3cccnc3)[nH]2)cc1F
17432 C(Sc1nnc(Nc2cccnc2)[nH]1)c1ccccn1
17433 C(Sc1nnc(Nc2cccnc2)[nH]1)c1ccncc1
17434 C(Sc1nnc(Nc2cccnc2)[nH]1)C1CCCCC1
17435 Cc1nc(CSc2nnc(Nc3cccnc3)[nH]2)cs1
17436 Cc1cc(CSc2nnc(Nc3cccnc3)[nH]2)no1
17437 Cn1nc(SCc2ccccc2)nc1Nc1ccccc1
17438 Cn1nc(Nc2ccccc2)nc1SCc1ccccc1
17439 CN(c1nnc(SCc2ccccc2)[nH]1)c1ccccc1
17440 CSc1nnc(Nc2ccccc2)[nH]1
17441 CC(C)CCSc1nnc(Nc2ccccc2)[nH]1
17442 CC(C)=CCSc1nnc(Nc2ccccc2)[nH]1 |(4.43,-.32,;3.66,1.01,;4.74,2.1,;2.12,1.01,;1.35,2.34,;-.19,2.34,;-1.1,3.59,;-.62,5.05,;-1.87,5.96,;-3.12,5.05,;-4.6,5.45,;-5.69,4.36,;-7.21,4.64,;-8.2,3.47,;-7.69,2.02,;-6.17,1.74,;-5.17,2.91,;-2.64,3.59,)|
17443 CC(C)c1ccccc1Nc1nnc(SCc2cccs2)[nH]1
17444 CC(C)c1ccccc1Nc1nnc(SCc2ccco2)[nH]1
17445 CC(C)c1ccccc1Nc1nnc(SCc2ccoc2)[nH]1
17446 [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
17447 Cc1ccc(cc1)-c1c[nH]nn1
17448 c1[nH]nnc1-c1ccccc1
17449 c1c2ccccc2c2n[nH][nH]c12
17450 Cc1ccc(cc1)-c1cn[nH]c1
17451 Cc1ccc(cc1)-c1cc[nH]n1
17452 Cc1ccccc1-c1c[nH]nn1
17453 COc1ccccc1-c1c[nH]nn1
17454 c1[nH]nnc1-c1ccccc1-c1ccccc1
17455 CCc1ccc(cc1)-c1c[nH]nn1
17456 CCCc1ccc(cc1)-c1c[nH]nn1
17457 Oc1ccc(cc1)-c1c[nH]nn1
17458 Nc1ccc(cc1)-c1c[nH]nn1
17459 Clc1ccc(cc1)-c1c[nH]nn1
17460 Brc1ccc(cc1)-c1c[nH]nn1
17461 Ic1ccc(cc1)-c1c[nH]nn1
17462 Cc1cccc(c1)-c1c[nH]nn1
17463 Oc1cccc(c1)-c1c[nH]nn1
17464 Nc1cccc(c1)-c1c[nH]nn1
17465 C(Nc1cccc(c1)-c1c[nH]nn1)c1ccccc1
17466 Ic1cccc(c1)-c1c[nH]nn1
17467 Brc1cccc(c1)-c1c[nH]nn1
17468 Brc1ccc(cc1Br)-c1c[nH]nn1
17469 c1[nH]nnc1-c1cc2ccccc2o1
17470 c1[nH]nnc1-c1ccccn1
17471 c1[nH]nnc1-c1cccnc1
17472 c1[nH]nnc1-c1ccncc1
17473 Cc1cccnc1-c1c[nH]nn1
17474 Cc1ccnc(c1)-c1c[nH]nn1
17475 Cc1ccc(nc1)-c1c[nH]nn1
17476 Cc1cccc(n1)-c1c[nH]nn1
17477 Cc1ccc(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
17478 OC(=O)c1c(NS(=O)(=O)c2ccccc2)ccc2CCCCc12
17479 CN(C)CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17480 CCN(CC)CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17481 CC(C)N(CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O)C(C)C
17482 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCN2CCCC2)ccc2CCCCc12
17483 CN(C)CCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17484 CCN(CC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17485 CCCCN(CCCC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17486 CN(C)CC(C)(C)CNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17487 OCCN(CCO)CCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17488 CCNCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17489 OCCNCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17490 CC(C)(C)OC(=O)NCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17491 CN(CCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O)C(=O)OC(C)(C)C
17492 NCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17493 CN1CCN(CCCNc2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
17494 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCCCC2)ccc2CCCCc12
17495 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCOCC2)ccc2CCCCc12
17496 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCCC2)ccc2CCCCc12
17497 CN1CCCC1CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17498 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC2CCN(Cc3ccccc3)CC2)ccc2CCCCc12
17499 CN1C(C)(C)CC(CC1(C)C)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17500 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCC2CCCNC2)ccc2CCCCc12
17501 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCC2CCNC2)ccc2CCCCc12
17502 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCC2CCNCC2)ccc2CCCCc12
17503 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCC2CCCN2)ccc2CCCCc12
17504 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCC(CC2)N2CCCCC2)ccc2CCCCc12
17505 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCn2ccnc2)ccc2CCCCc12
17506 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCc2ccncc2)ccc2CCCCc12
17507 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccccn2)ccc2CCCCc12
17508 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccncc2)ccc2CCCCc12
17509 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCCN2CCCC2=O)ccc2CCCCc12
17510 CCN(CC)CCCNc1cccc(F)c1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17511 CCN(CC)CCCNc1ccc(F)cc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17512 CCN(CC)CCCNc1c(Cl)cccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17513 CCN(CC)CCCNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17514 CCN(CC)CCCNc1cc(Cl)c(F)cc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17515 CCN(CC)CCCNc1ccc(C)cc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17516 CCN(CC)CCCNc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17517 CCN(CC)CCCNc1cc(C)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17518 CCN(CC)CCCNc1ccc(cc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O)C(F)(F)F
17519 CN(C)CCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17520 CCN(CC)CCCC(C)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17521 Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17522 CC(C)N1CCC(CNc2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
17523 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCC2CCCN2CC2CCCCC2)ccc2CCCCc12
17524 CN1CCC(CC1)N1CCCC1CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17525 OC(=O)c1c(NS(=O)(=O)c2ccccc2NCCC2CCCN2C2CCCCC2)ccc2CCCCc12
17526 CC(C)N1CCCC1CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17527 CN1CCC(CNc2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
17528 CN1CCC(CC1)N1CCC(CNc2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
17529 CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17530 CCN(CC)CCC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17531 CCN(CC)CCCC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17532 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)CCCN2CCCC2)ccc2CCCCc12
17533 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)CCCN2CCCCC2)ccc2CCCCc12
17534 CCN(CC)CCNC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17535 CN1CCCC1CCNC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17536 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCN2CCCCC2)ccc2CCCCc12
17537 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCN2CCOCC2)ccc2CCCCc12
17538 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCCN2CCOCC2)ccc2CCCCc12
17539 OC(=O)c1c(NS(=O)(=O)c2ccccc2NC(=O)NCCCN2CCCCC2)ccc2CCCCc12
17540 CCN(CC)CCOC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17541 CCN(CC)CCSc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17542 CCN(CC)CCCSc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17543 CCN(CC)CCSc1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17544 CN(C)CCSc1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17545 CN(C)CCSc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17546 CCN(CC)CCS(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17547 CCN(CC)CCS(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17548 CN(C)CCS(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17549 CN(C)CCS(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17550 CCN(CC)CCCOc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17551 CN1CCCC1CCOc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17552 CCN(CC)CCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17553 CN1CCCC1CCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17554 OC(=O)c1c(NS(=O)(=O)c2ccccc2C(=O)NCCN2CCCCC2)ccc2CCCCc12
17555 CCN(CC)CCCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17556 CCN(CC)CCCCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17557 CCN(CC)CCCC(C)NC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17558 CCN(CC)CCCC(C)NC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17559 CCN(CC)C\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17560 CCN(CC)C\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17561 CCN(CC)CC\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17562 CCN(CC)CCC\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17563 CC(\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O)N1CCCC1
17564 CC(\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O)N1CCCC1
17565 CCN(CC)C(C)\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17566 CCN(CC)C(C)\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17567 OC(=O)c1c(NS(=O)(=O)c2ccccc2\C=C/CN2CCCC2)ccc2CCCCc12
17568 OC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2\C=C/CN2CCCC2)ccc2CCCCc12
17569 CCN(CCO)C\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17570 CN1CCN(C\C=C/c2ccccc2S(=O)(=O)Nc2ccc3CCCCc3c2C(O)=O)CC1
17571 CN(C)C\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17572 CN(C)C\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17573 CCN(C)C\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17574 CN(CCO)C\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17575 CC(C)N(C)C\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17576 CCN(CC)C\C=C\c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17577 CCN(CC)CC\C=C\c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17578 CCN(CC)CCC\C=C\c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17579 CCN(CC)CCCc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17580 CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17581 CCN(CC)CCCCc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17582 CCN(CC)CCCCCc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17583 CN(C)CCCc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17584 CCN(CC)CC1CC1c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17585 CN(C)CC1CC1c1cc(F)ccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
17586 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)CCSC |r|
17587 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)CCSCC |r|
17588 CCOC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)CSCC(C)C |r|
17589 CCSCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
17590 CC(C)CSC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
17591 CC(C)SCC[C@@H](N)[C@H](O)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
17592 CCSCC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 |r|
17593 CC(C)CSC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 |r|
17594 CC(C)SCC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 |r|
17595 OC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
17596 OC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccc2nsnc12
17597 Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(c1)C(O)=O
17598 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2[C@@]1([H])C2CCCC1CCC2 |r,TLB:10:7:24:2.3,24:25:29.30.28:34.33.32|
17599 Cc1cc(C)c(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
17600 CCc1ccc(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
17601 CCCc1ccc(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
17602 CCCCc1ccc(NS(=O)(=O)c2ccccc2)c(c1)C(O)=O
17603 OC(=O)c1c(NS(=O)(=O)c2ccccc2)ccc2ccccc12
17604 OC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2ccccc12
17605 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCC1 |r,TLB:10:7:24:2.3|
17606 CC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(O)=O)c12 |t:1|
17607 OC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2)ccc2CCCCc12
17608 C[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(O)=O)c12 |r|
17609 Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
17610 Cc1c(C=C)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O
17611 CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
17612 CCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
17613 CCCCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
17614 Cc1c(CO)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O
17615 CC(O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1C
17616 CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OC
17617 COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O)-c1ccoc1
17618 COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(O)=O)-c1ccoc1
17619 COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(O)=O)-c1ccco1
17620 COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2Br)c1C(O)=O)-c1c[nH]cn1
17621 COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O)-c1cn[nH]c1
17622 CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1Cl
17623 CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(c1)C(O)=O
17624 CCOc1c(CC)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(O)=O
17625 CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCCN
17626 CCc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(C(O)=O)c1OCC(O)=O
17627 CCCc1ccccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(O)=O
17628 CCc1ccc(NS(=O)(=O)c2ccccn2)c(C(O)=O)c1C
17629 CCN(CC)CCCc1cc(F)ccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(O)=O
17630 CCc1ccc(NS(=O)(=O)c2ccccc2NCCCCN(C)C)c(C(O)=O)c1OC
17631 CCc1ccc(NS(=O)(=O)c2ccccc2NCCCN2CCCCC2C)c(C(O)=O)c1OC
17632 CCc1ccc(NS(=O)(=O)c2ccccc2NCCC2CCCN2C)c(C(O)=O)c1OC
17633 CCN(CC)C\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc(CC)c(OC)c1C(O)=O
17634 COc1c(ccc(NS(=O)(=O)c2ccc(F)cc2NCCCN(C)C)c1C(O)=O)-c1ccoc1
17635 CCN(CC)C\C=C/c1cc(F)ccc1S(=O)(=O)Nc1ccc(-c2ccoc2)c(OC)c1C(O)=O
17636 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
17637 [H][C@@]1(O)CC[C@]2(C)C3CC[C@]4(C)[C@@H](O)CCC4C3CC[C@@]2([H])C1 |r|
17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
17639 [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C
17640 CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)CC)ccc3C22OC(=O)c3ccccc23)c1 |r|
17641 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17642 C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)cc2)C1=O)C(=O)N1CCOCC1 |r|
17643 C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17644 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(C)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
17645 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3sc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1 |r|
17646 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(\C=C\Cl)cc2)C1=O)C(=O)N1CCOCC1 |r|
17647 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3nc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1 |r|
17648 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)cnc3s2)C1=O)C(=O)N1CCOCC1 |r|
17649 C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3ncc(Cl)cc3s2)C1=O)C(=O)N1CCOCC1 |r|
17650 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2nnc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17651 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(s2)-c2ncc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17652 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(o2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17653 C[C@H](N1CC[C@H](NS(=O)(=O)c2cnc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17654 C[C@H](N1CC[C@H](NS(=O)(=O)c2ncc(s2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17655 C[C@H](N1CC[C@H](NS(=O)(=O)c2nnc([nH]2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17656 C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc(nc2)-c2ccc(Cl)s2)C1=O)C(=O)N1CCOCC1 |r|
17657 N[C@@H](CCC(O)=O)C(O)=O
17658 CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
17659 OC(=O)CCC(CP(O)(O)=O)C(O)=O
17660 N[C@@H](Cn1oc(=O)[nH]c1=O)C(O)=O
17661 N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O
17662 Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O
17663 N[C@@H](COS(O)(=O)=O)C(O)=O
17664 N[C@@H](COP(O)(O)=O)C(O)=O
17665 Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17666 Fc1cccc(F)c1Cn1c(nc2ccccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17667 COc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17668 CN(C(C)=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.54,5.49,;3.88,6.26,;2.54,3.95,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17669 CCc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17670 [O-][N+](=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.75,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17671 COC(=O)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(2.54,8.57,;1.21,7.81,;1.21,6.27,;2.54,5.49,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17672 Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17673 Fc1cccc(F)c1Cn1c(nc2c(Br)cccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;1.21,6.27,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17674 Fc1cccc(F)c1Cn1c(nc2c(Cl)cccc12)-c1c(F)cccc1F |(-3.45,3.05,;-4.22,1.72,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;-3.45,.39,;-1.91,.34,;-1.14,1.68,;.39,1.52,;1.02,2.92,;-.12,3.95,;-.12,5.5,;1.21,6.27,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17675 CC(=O)Nc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(2.54,8.57,;1.21,7.81,;-.12,8.58,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17676 CNc1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17677 CN(C)c1cccc2n(Cc3c(F)cccc3F)c(nc12)-c1c(F)cccc1F |(1.21,7.81,;1.21,6.27,;2.54,5.49,;-.12,5.5,;-1.46,6.27,;-2.79,5.5,;-2.79,3.95,;-1.46,3.18,;-1.14,1.68,;-1.91,.34,;-3.45,.39,;-4.22,1.72,;-3.45,3.05,;-5.76,1.72,;-6.53,.39,;-5.76,-.95,;-4.22,-.95,;-3.45,-2.28,;.39,1.52,;1.02,2.92,;-.12,3.95,;1.16,.18,;2.7,.18,;3.47,1.52,;3.47,-1.15,;2.7,-2.48,;1.16,-2.48,;.39,-1.15,;-1.15,-1.15,)|
17678 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(c4)C(F)(F)F)[nH]c3c2)ccn1
17679 FC(F)(F)c1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl
17680 COc1cc2ncnc(Oc3ccc4nc(Nc5ccc(Cl)cc5)[nH]c4c3)c2cc1OC
17681 FC(F)(F)c1cc(Nc2nc3ccc(Oc4ccnc5[nH]ccc45)cc3[nH]2)ccc1Cl
17682 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)ccn1
17683 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OCCN(C)C)c4)C(F)(F)F)[nH]c3c2)ccn1
17684 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)F)[nH]c3c2)ccn1 |r|
17685 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(c(OC[C@H]5CCCN5C)c4)C(F)(F)C(F)(F)F)[nH]c3c2)ccn1 |r|
17686 CNC(=O)c1cc(Oc2ccc3nc(Nc4cc(OCCN5CCCC5)cc(c4)C(F)(F)F)[nH]c3c2)ccn1
17687 CN1CCC[C@@H]1COc1cc(Nc2nc3ccc(Oc4ccnc5ccccc45)cc3[nH]2)ccc1C(F)(F)F |r|
17688 CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6ccccc56)cc4[nH]3)ccc2Cl)CC1
17689 COc1cc2nccc(Oc3ccc4nc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)[nH]c4c3)c2cc1OC
17690 CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ncnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1
17691 CN1CCN(Cc2cc(Nc3nc4ccc(Oc5ccnc6[nH]ccc56)cc4[nH]3)ccc2Cl)CC1
17692 CNc1nccc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)n1
17693 CSc1nccc(Oc2ccc3nc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)[nH]c3c2)n1
17694 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
17695 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
17696 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)cc4)nc3c2)ccn1
17697 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|
17698 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCCN(C)C)c4)nc3c2)ccn1
17699 CCN(CC)CCOc1cc(Nc2nc3cc(Oc4ccnc(c4)C(=O)NC)ccc3o2)ccc1Cl
17700 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCOCC5)c4)nc3c2)ccn1
17701 CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OCC5CCNCC5)c4)nc3c2)ccn1
17702 CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc(c4)C(N)=O)ccc3o2)ccc1Cl |r|
17703 COc1cc2ncnc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC |r|
17704 COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(OC[C@@H]6CCCN6C)c5)nc4c3)c2cc1OC |r|
17705 COc1cc2nccc(Oc3ccc4oc(Nc5ccc(Cl)c(CN6CCN(C)CC6)c5)nc4c3)c2cc1OC
17706 CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)ccc4o3)ccc2Cl)CC1
17707 CNc1nccc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)n1
17708 CNc1cc(Oc2ccc3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ncn1
17709 CN1CCC[C@H]1COc1cc(Nc2nc3cc(Oc4ccnc5[nH]ccc45)ccc3o2)ccc1Cl |r|
17710 CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6[nH]ccc56)ccc4o3)ccc2Cl)CC1
17711 CNC(=O)c1cc(Oc2cc(F)c3oc(Nc4ccc(Cl)c(OC[C@@H]5CCCN5C)c4)nc3c2)ccn1 |r|
17712 CNC(=O)c1cc(Oc2cc(Cl)c3oc(Nc4ccc(Cl)c(CN5CCN(C)CC5)c4)nc3c2)ccn1
17713 CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)cc(Cl)c4o3)ccc2Cl)CC1
17714 C(CN1CCNCC1)Nc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
17715 C(Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1)[C@@H]1CCCO1 |r|
17716 C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccccc1
17717 C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCOCC2)cc1
17718 C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCC2)cc1
17719 C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCn2ccnc2)cc1
17720 CC(C)N(CCOc1ccc(cc1)-c1oc2nccc(NCCN3CCNCC3)c2c1-c1ccccc1)C(C)C
17721 C(CN1CCNCC1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
17722 C(Cc1ccncc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
17723 C(Cc1cccnc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
17724 C(CNc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1)Cn1ccnc1
17725 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccccc2)cc1
17726 COc1ccccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
17727 COc1ccc(cc1)N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
17728 CC(C)Oc1cc(F)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
17729 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c(OC)c1
17730 COc1ccc(OC)c(CN(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(cc3)N3CCN(C)CC3)n2)c1
17731 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccc3ccccc3c2)cc1
17732 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2ccc(cc2)-c2ccccc2)cc1
17733 CN1CCN(CC1)c1ccc(Nc2nccc(n2)N(C(=O)Oc2c(C)cccc2C)c2cccc(c2)-c2ccccc2)cc1
17734 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
17735 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(N4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
17736 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)c(F)c3)n2)c(OC)c1
17737 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN(C)C)cc3)n2)c(OC)c1
17738 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN(C)C)cc3)n2)c(OC)c1
17739 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
17740 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
17741 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCN4CCOCC4)c(OC)c3)n2)c(OC)c1
17742 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)c(OC)c1
17743 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
17744 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3cc(OC)c(OCCCN4CCN(C)CC4)c(OC)c3)n2)c(OC)c1
17745 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCN(C)CC4)c(F)c3)n2)c(OC)c1
17746 COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)n2)c(OC)c1
17747 CN(C)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
17748 Cc1cc2ncc(nc2cc1C)-c1ccc(O)c(O)c1
17750 CC1CCN(CC1)c1ccc(CO)cc1NC(=O)c1ccc(o1)C#N
17751 Cc1cc(on1)-c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
17752 OC(=O)CCC(CP(O)(=O)Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O
17753 OC(=O)CC[C@@H](CP(O)(=O)Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O |r|
17754 OC(=O)CC[C@H](CP(O)(=O)Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O |r|
17755 OC(=O)CCC(CCCS)C(O)=O
17756 OC(=O)CC[C@H](CCCS)C(O)=O |r|
17757 OC(=O)CC[C@@H](CCCS)C(O)=O |r|
17758 OC(=O)CC[C@@H](CP(O)(O)=O)C(O)=O |r|
17759 OC(=O)CC[C@H](CP(O)(O)=O)C(O)=O |r|
17760 OC(=O)C(CCCS)Cc1ccccc1
17761 OC(=O)C(CCCS)Cc1ccccc1C(O)=O
17762 OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O
17763 OC(=O)C(CCCS)Cc1ccc(cc1)C(O)=O
17764 OC(=O)C(CS)Cc1cccc(c1)C(O)=O
17765 OC(=O)C(CCS)Cc1cccc(c1)C(O)=O
17766 OC(=O)C(CCCCS)Cc1cccc(c1)C(O)=O
17767 OC(=O)C(CCCCCS)Cc1cccc(c1)C(O)=O
17768 CSCCCC(Cc1cccc(c1)C(O)=O)C(O)=O
17769 OC(=O)C(CCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1cccc(c1)C(O)=O
17770 COC(=O)C(CCCS)Cc1cccc(c1)C(O)=O
17771 NC(=O)C(CCCS)Cc1cccc(c1)C(O)=O
17772 COC(=O)c1cccc(CC(CCCS)C(O)=O)c1
17773 NC(=O)c1cccc(CC(CCCS)C(O)=O)c1
17774 OC(=O)C(CCCS)Cc1cccc(c1)C#N
17775 OC(=O)C(CCCS)Oc1cccc(c1)C(O)=O
17776 OC(=O)C(CCCS)Sc1cccc(c1)C(O)=O
17777 OC(=O)C(Cc1cccc(c1)C(O)=O)CP(O)(O)=O
17778 OC(=O)C(Cc1cccc(c1)C(O)=O)CP(O)(=O)Cc1c(F)c(F)c(F)c(F)c1F
17779 ONC(=O)CC(CCC(O)=O)C(O)=O
17780 ONC(=O)CC(Cc1cccc(c1)C(O)=O)C(O)=O
17781 OC(=O)CCC(CC(O)=O)C(O)=O
17782 OC(=O)CC(Cc1cccc(c1)C(O)=O)C(O)=O
17783 CN(C1CCCCC1)C(=O)CCN1Cc2cc(ccc2N=C1N)C(=O)c1ccccc1 |c:22|
17784 CN(C1CCCCC1)C(=O)c1cccc(CN2Cc3cc(Oc4ccccc4)ccc3N=C2N)c1 |c:34|
17785 CN(C1CCCCC1)C(=O)CCC(C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |c:38|
17786 CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
17787 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4ccccc4)cc3)cc2[nH]1
17788 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
17789 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17790 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4Cl)C(F)(F)F)cc3)cc2[nH]1
17791 CCc1cccc(NC(=O)Nc2ccc(Oc3ccc4nc(NC(=O)OC)[nH]c4c3)cc2)c1
17792 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)cc2[nH]1
17793 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc2[nH]1
17794 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)cc2[nH]1
17795 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC(F)(F)F)c4)cc3)cc2[nH]1
17796 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)cc2[nH]1
17797 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(N)ccc4F)cc3)cc2[nH]1
17798 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(O)=O)cc3)cc2[nH]1
17799 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=S)Nc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
17800 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Cc4cccc(c4)C(F)(F)F)cc3)cc2[nH]1
17801 COC(=O)Nc1nc2ccc(Oc3ccc(CC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17802 COC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)cc2[nH]1
17803 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cn3)cc2[nH]1
17804 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c[n+]3[O-])cc2[nH]1
17805 CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)nc3)cc2[nH]1
17806 CC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17807 COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17808 COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
17809 COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
17810 COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
17811 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2n1C
17812 COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1C
17813 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
17814 COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2o1
17815 COC(=O)Nc1cn2cc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2n1
17816 COC(=O)Nc1nc2nc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)ccc2[nH]1
17817 COC(=O)Nc1nc2ncc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17818 Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17819 Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4)[nH]c3c2)cc1)C(F)(F)F
17820 Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccccc4-n4cccc4)[nH]c3c2)cc1)C(F)(F)F
17821 Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4ccco4)[nH]c3c2)cc1)C(F)(F)F
17822 Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccc3nc(NC(=O)c4cccnc4)[nH]c3c2)cc1)C(F)(F)F
17823 COCCOCC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2[nH]1
17824 CN1CCN(CC(=O)Nc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
17825 CN1CCN(CCNc2nc3ccc(Oc4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4)cc3[nH]2)CC1
17826 CS(=O)(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)cc2s1
17827 CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
17828 CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
17829 CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(F)c(F)c1)Cc1ccccc1 |r|
17830 CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)Cc1ccccc1 |r|
17831 CC(C)[C@H](NC(C)=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O)Cc1ccccc1 |r|
17832 CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
17833 COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1)C(C)(C)C |r|
17834 Cc1cccc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)Cc1ccccc1 |r|
17835 CC(=O)c1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r|
17836 CC(=O)c1ccc(cc1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C |r|
17837 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1 |r|
17838 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
17839 Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F |r|
17840 O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2OCOc2c1 |r|
17841 O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
17842 O[C@@H](C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(F)(F)F)[C@H](Cc1ccccc1)NC(=O)OCc1cccnc1 |r|
17843 COC(=O)N[C@H](C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
17844 COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)C(C)(C)C |r|
17845 O[C@@H](CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccccc1 |r|
17846 CC(=O)c1cccc(c1)N1C[C@H](OC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H]1CN(C(=O)O1)c1cccc(c1)C(C)=O |r|
17847 CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc1nccs1
17848 CSCC[C@H](N)C(=O)N1CCCC1C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
17849 CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
17850 O=C(CCc1ccccc1)Nc1cccnc1C(=O)Nc1nccs1
17851 CC(C)C=Nc1cccnc1C(=O)Nc1nccs1 |w:4.4|
17852 CCCCCCCC(=O)Nc1cccnc1C(=O)Nc1nccs1
17853 FC(F)(F)c1cccc(NN=c2c(=N)nnc2=N)c1 |(.72,8.79,;2.05,8.02,;2.82,9.36,;3.38,7.25,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)|
17854 FC(F)(F)c1ccccc1NN=c1c(=N)nnc1=N |(-1.8,9.36,;-1.03,8.02,;.3,8.79,;-2.36,7.25,;-.26,6.69,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,)|
17855 Fc1cccc(NN=c2c(=N)nnc2=N)c1 |(2.05,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)|
17856 Cc1c(Cl)cccc1NN=c1c(=N)nnc1=N |(-1.03,8.02,;-.26,6.69,;1.28,6.69,;2.05,8.02,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,)|
17857 Fc1ccc(NN=c2c(=N)nnc2=N)cc1 |(3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)|
17858 Clc1ccc(NN=c2c(=N)nnc2=N)cc1 |(3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)|
17859 COc1ccc(NN=c2c(=N)nnc2=N)cc1 |(4.36,4.02,;3.59,5.36,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)|
17860 OC(=O)c1cccc(NN=c2c(=N)nnc2=N)c1 |(1.28,9.36,;2.05,8.02,;3.59,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,)|
17861 OC(=O)c1cccc(NN=c2c(=N)nnc2=N)c1O |(1.28,9.36,;2.05,8.02,;3.59,8.02,;1.28,6.69,;2.05,5.36,;1.28,4.02,;-.26,4.02,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,6.69,;-1.03,8.02,)|
17862 NC(N)=NNS(=O)(=O)c1ccc(NN=c2c(=N)nnc2=N)cc1 |(5.9,6.69,;6.67,5.36,;8.21,5.36,;5.9,4.02,;4.36,4.02,;3.59,5.36,;3.19,6.84,;5.08,5.75,;2.05,5.36,;1.28,6.69,;-.26,6.69,;-1.03,5.36,;-2.57,5.36,;-3.34,4.02,;-4.88,4.02,;-6.13,4.93,;-6.13,6.47,;-7.37,4.02,;-6.9,2.56,;-5.35,2.56,;-4.45,1.31,;-.26,4.02,;1.28,4.02,)|
17863 COC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(F)(F)F |r|
17864 COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(cc1)C(C)C |r|
17865 CCCC[C@@H](N)[C@H](O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC |r|
17866 COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](O)[C@H](N)c1ccc(C)cc1 |r|
17867 CSCC[C@H](N)C(=O)c1nccs1 |r|
17868 CSCC[C@H](N)C(=O)c1ccccn1 |r|
17869 CCCC[C@H](N)C(=O)CNC1CC1 |r|
17870 Nc1nnc(SCc2ccccc2)[nH]1
17871 CSCC[C@H](N)c1nnc(SCc2ccccc2)[nH]1 |r|
17872 Cn1cnnc1SCc1ccccc1
17873 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)C(C\C=C\CC(C)C)C(C)C)C(=O)C(=O)NCC(=O)N[C@H](C(O)=O)c1ccccc1 |r|
17874 CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H]2OC(C)(C)[C@@H]2[C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O |r|
17875 CCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(N)=O |r|
17876 CCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(N)=O |r|
17877 CCCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(N)=O |r|
17878 CC(C)CC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(N)=O |r|
17879 CC(C)(C)CC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(N)=O |r|
17880 CC(C)(C)OC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(C(=O)C(N)=O)C(C)(C)C)C2(C)C)C(C)(C)C |r|
17881 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(C1CC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
17882 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(C1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
17883 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(C1CCCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
17884 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1(F)F)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
17885 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC(F)(F)C1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
17886 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(Cl)Cl)C(C)(C)C |r|
17887 CC(C)(C)NC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(F)F)C(C)(C)C |r|
17888 CC(C)(C)NC(=O)NC(C(=O)N1C[C@@H]2OC(C)(C)C[C@@H]2C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C |r|
17889 CC(C)(C)NC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C
17890 CC(C)(C)NC(=O)NC(C(=O)N1C[C@@H]2OC(C)(C)[C@@H]2C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C(C)(C)C |r|
17891 CC(C)CC(NC(=O)C(NC(=O)NC(C)(C)C)C(C)(C)C)C(=O)NC(CC1CCC1)C(=O)C(N)=O
17892 CC(C)CC(NC(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC1CCC1)C(=O)C(N)=O
17893 CC(C)C(NC(=O)NC(C)(C)C)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
17894 COC(=O)NC(C1CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
17895 CCOC(=O)NC(C1CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
17896 CC(C)OC(=O)NC(C1CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
17897 CC(C)C(NC(C)=O)C(=O)NC(C1CCCCC1)C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C |r|
17898 CC(C)C(NC(C)=O)C(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C |r|
17899 COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C |r|
17900 COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1Cl |r|
17901 COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1Br |r|
17902 COc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1OC |r|
17903 COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C(F)(F)F |r|
17904 COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C(C)C |r|
17905 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1C |r|
17906 CCc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C |r|
17907 CC(C)c1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C |r|
17908 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1C(F)(F)F |r|
17909 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1Cl |r|
17910 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1Br |r|
17911 Cc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1Cl |r|
17912 OC(=O)c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 |r|
17913 OC(=O)c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Cl)c(Br)c2)cc1 |r|
17914 Cc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1Br |r|
17915 OC(=O)c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Br)c(Cl)c2)cc1 |r|
17916 OC(=O)c1ccc(OC[C@@H]2C[C@H](F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Br)c(Br)c2)cc1 |r|
17917 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(O)=O)CC2)cc1 |r|
17918 COc1cc(CC(=O)N2CCC[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17919 CO[C@@H]1C[C@H](N(C1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C(=O)N1CCN(CC(O)=O)CC1 |r|
17920 CO[C@@H]1C[C@H](N(C1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1)C(=O)N1CCC(CC(O)=O)CC1 |r|
17921 COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r|
17922 COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r|
17923 COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17924 COc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17925 COc1cc(CC(=O)N2C[C@@H]3OC(C)(C)O[C@@H]3[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17926 COc1cc(CC(=O)N2C[C@H](O)[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17927 COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r|
17928 COc1cc(CC(=O)N2C[C@H](C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)Oc2ccc3ccccc3c2)ccc1NC(=O)Nc1ccccc1C |r|
17929 COc1cc(CC(=O)N2CC[C@H](OCc3ccccc3)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17930 COc1cc(CC(=O)N2CC[C@H](O)[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17931 COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17932 COc1cc(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17933 COc1cc(CC(=O)N2CC(F)(F)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17934 COc1cc(CC(=O)N2C[C@@H](Cl)C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17935 COc1cc(CC(=O)N2Cc3ccccc3C2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C
17936 COc1cc(CC(=O)N2[C@@H](Cc3ccccc23)C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17937 COc1cc(CC(=O)N2C3CCCCC3C[C@H]2C(=O)N2CCN(CC(O)=O)CC2)ccc1NC(=O)Nc1ccccc1C |r|
17938 COc1cc(CC(=O)N2CCC[C@H]2C(=O)N2CCN(CC2)C(C)C(O)=O)ccc1NC(=O)Nc1ccccc1C |r|
17939 COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC2)C(C)C(O)=O)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r|
17940 COc1cc(CC(=O)N2C[C@@H](C[C@H]2C(=O)N2CCN(CC2)C(C)(C)C(O)=O)OCc2ccccc2)ccc1NC(=O)Nc1ccccc1C |r|
17941 CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C |r|
17942 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1CCCc2ccccc12 |r|
17943 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@H](Cc2ccccc12)C(=O)OC |r|
17944 CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](Cc2ccccc12)NC(=O)OC)C(C)C |r|
17945 CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1C[C@@H](COCOC)Oc2ccccc12)C(C)C |r|
17946 CCCCNC(=O)[C@H](C)CC(O)[C@@H](N)C[C@H](C)COC(=O)c1cn(Cc2ccccc2)c2ccccc12 |r|
17947 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)CNC(=O)c1ccccc1OCCCOC |r|
17948 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](CNC(=O)c1ccccc1OCCCOC)C(C)C |r|
17949 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r|
17950 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
17951 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2ccccc2c1 |r|
17952 COc1ccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc2c1 |r|
17953 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2cccnc2c1 |r|
17954 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2CCCNc2c1 |r|
17955 COC(=O)c1cccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc12 |r|
17956 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2occc2c1 |r|
17957 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2[nH]ccc2c1 |r|
17958 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc2c(cccc2c1)C(O)=O |r|
17959 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NC(=O)c1ccc2ccccc2c1 |r|
17960 COc1ccccc1COCCCOc1ccc(cc1)[C@H]1CCNC[C@H]1NCc1ccc(cc1)-c1ccccc1 |r|
17961 COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2ccccc2c1 |r|
17962 COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COCc1ccc2ccccc2c1 |r|
17963 COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COCc1ccc(cc1)-c1ccccc1 |r|
17964 COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2CCCCc2c1 |r|
17965 COc1ccccc1COCCCOc1ccc(cc1)N1CCNC[C@@H]1COc1ccc2CCCN(CCNC(C)=O)c2c1 |r|
17966 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3ccccc3c2)CNCC1=O |r|
17967 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCNC(C)=O)c3c2)CNCC1=O |r|
17968 CCc1nc(N)nc(N)c1-c1ccc2OCCN(CCCOC)c2c1
17969 CCc1nc(N)nc(N)c1-c1ccc2OCC(=O)N(CCCOC)c2c1
17970 CCc1nc(N)nc(N)c1-c1ccc2OC(C)CN(CCCOC)c2c1
17971 CCc1nc(N)nc(N)c1-c1ccc2O[C@H](C)CN(CCCOC)c2c1 |r|
17972 CCc1nc(N)nc(N)c1-c1ccc2O[C@@H](C)CN(CCCOC)c2c1 |r|
17973 CCc1nc(N)nc(N)c1-c1ccc2OC(C)C(=O)N(CCCOC)c2c1
17974 CCc1nc(N)nc(N)c1-c1ccc2O[C@H](C)C(=O)N(CCCOC)c2c1 |r|
17975 CCc1nc(N)nc(N)c1-c1ccc2O[C@@H](C)C(=O)N(CCCOC)c2c1 |r|
17976 CCCC1Oc2ccc(cc2N(CCCOC)C1=O)-c1c(N)nc(N)nc1CC
17977 CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1ccccc1
17978 CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1ccc(F)c(F)c1
17979 CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1ccc(F)cc1
17980 CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1
17981 CCc1nc(N)nc(N)c1-c1ccc2OC(C(=O)N(CCCOC)c2c1)c1cccc(F)c1F
17982 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1
17983 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1
17984 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)C(F)(F)F
17985 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(CC)C(=O)N(CCCOC)c2c1
17986 CCc1nc(N)nc(N)c1-c1ccc2OC(CC)(CC)C(=O)N(CCCOC)c2c1
17987 CCc1nc(N)nc(N)c1-c1ccc2OC3(CC3)C(=O)N(CCNC(C)=O)c2c1
17988 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1
17989 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cc(F)cc(F)c1
17990 CCc1nc(N)nc(N)c1-c1ccc2OC(CC)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1
17991 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1ccc(F)c(F)c1
17992 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cccc(c1)C(F)(F)F
17993 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1ccc(Cl)cc1
17994 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cccc(Cl)c1
17995 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cc(F)ccc1F
17996 CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1 |r|
17997 CCc1nc(N)nc(N)c1-c1ccc2O[C@@](C)(C(=O)N(CCNC(C)=O)c2c1)c1ccccc1 |r|
17998 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCO)c2c1)c1cc(F)cc(F)c1
17999 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCO)c2c1)c1cc(F)cc(F)c1
18000 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCCO)c2c1)c1cc(F)cc(F)c1
18001 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(=O)CO)c2c1)c1cc(F)cc(F)c1
18002 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCC(=O)NC)c2c1)c1cc(F)cc(F)c1
18003 CCNC(=O)CN1C(=O)C(C)(Oc2ccc(cc12)-c1c(N)nc(N)nc1CC)c1cc(F)cc(F)c1
18004 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNS(C)(=O)=O)c2c1)c1cc(F)cc(F)c1
18005 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(=O)OC)c2c1)c1cc(F)cc(F)c1
18006 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCC#N)c2c1)c1cc(F)cc(F)c1
18007 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC(F)(F)F)c2c1)c1cc(F)cc(F)c1
18008 CCOCCCN1C(=O)C(C)(Oc2ccc(cc12)-c1c(N)nc(N)nc1CC)c1cc(F)cc(F)c1
18009 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCOCC(F)(F)F)c2c1)c1cc(F)cc(F)c1
18010 CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1
18011 CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 |r|
18012 COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r|
18013 [H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NCCC(O)=O)c1=O |r|
18014 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
18015 [H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NC(Cc2c[nH]cn2)C(O)=O)c1=O |r|
18016 [H][C@]1(C[C@@H]2CC[C@H](C1)N2C1CCCCCCC1)n1c2ccccc2nc(C(=O)NC(Cc2ccccc2)C(O)=O)c1=O |r|
18017 CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCC(=O)OC)c2c1
18018 CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCC(=O)OC)c2c1
18019 CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCCC(=O)OC)c2c1
18020 CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCNC(C)=O)c2c1
18021 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCCCCCCCCCC1 |r,TLB:10:7:24:2.3|
18022 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCN(C)C(C)=O)c3c2)CNCC1=O |r|
18023 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCN4CCCC4=O)c3c2)CNCC1=O |r|
18024 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCN4CCOC4=O)c3c2)CNCC1=O |r|
18025 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCOC(C)=O)c3c2)CNCC1=O |r|
18026 CCC(=O)OCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
18027 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCOC(=O)C(C)C)c3c2)CNCC1=O |r|
18028 COCCCN1CCCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
18029 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCCO)c3c2)CNCC1=O |r|
18030 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3CCCN(CCC(O)=O)c3c2)CNCC1=O |r|
18031 COCCCN1C(=O)CCc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
18032 COCCCN1C(=O)COc2ccc(OC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
18033 COCCCN1C(=O)COc2ccc(SC[C@H]3CNCC(=O)N3c3ccc(OCCCOCc4ccccc4OC)cc3)cc12 |r|
18034 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](COc2ccc3OCC(=O)N(CC(O)=O)c3c2)CNCC1=O |r|
18035 COc1ccccc1COCCCOc1ccc(cc1)N1[C@@H](CSc2ccc3OCC(=O)N(CC(O)=O)c3c2)CNCC1=O |r|
18036 CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1
18037 CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1
18038 CCc1nc(N)nc(N)c1-c1ccc2CCC(N(CCCOC)c2c1)c1ccccc1
18039 CCc1nc(N)nc(N)c1-c1ccc2c(c1)n(CCCOC)c1ccccc21
18040 CCc1nc(N)nc(NCCc2ccccc2NC(=O)c2ccc(N)c(OC)c2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1
18041 CCc1nc(N)nc(NCCNS(=O)(=O)c2ccc3ccccc3c2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1
18042 CCc1nc(N)nc(NCCNC(=O)c2ccccc2)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1
18043 CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
18044 Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27|
18045 Nc1nc(N)c2c(Sc3ccccc3)cccc2n1
18046 Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
18047 CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
18048 Nc1nc(N)c2c(Sc3ccc(cc3)N3CCOCC3)cccc2n1
18049 Cc1cc(CSC(=N)NC(N)=N)c(C)cc1CSC(=N)NC(N)=N
18050 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
18051 COc1cccc(CSC(=N)NC(N)=N)c1
18052 NC(=N)NC(=N)SCc1cccc(c1)C(F)(F)F
18053 NC(=N)NC(=N)SCc1cccc(c1)[N+]([O-])=O
18054 NC(=N)NC(=N)SCc1ccccc1
18055 COc1ccc(CSC(=N)NC(N)=N)cc1
18056 NC(=N)NC(=N)SCc1ccc(Cl)c(Cl)c1
18057 Cc1ccc(CSC(=N)NC(N)=N)cc1
18058 NC(=N)NC(=N)SCc1ccc(cc1)C(F)(F)F
18059 NC(=N)NC(=N)SCc1ccc(Cl)cc1
18060 NC(=N)NC(=N)SCc1ccc(F)cc1
18061 NC(=N)NC(=N)SCc1ccc(cc1)[N+]([O-])=O
18062 NC(=N)NC(=N)SCc1cc(ccc1O)[N+]([O-])=O
18063 NC(=N)NC(=N)SCc1ccccc1C(F)(F)F
18064 NC(=N)NC(=N)SCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
18065 NC(=N)NC(=N)SC\C=C\c1ccccc1
18066 NC(=N)NC(=N)SCc1ccc(Cl)nc1
18067 NC(=N)NC(=N)SCc1cccc(CSC(=N)NC(N)=N)c1
18068 CNc1nc(N)[nH]c(=O)c1[N+]([O-])=O
18069 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
18070 COc1cc(Cc2cnc(N)nc2N)c2C=CC(Oc2c1OC)C1CC1 |c:16|
18071 COc1cc(Cc2cnc(N)nc2N)c2cc(Cc3c([nH]c4ccc(Cl)cc34)C(=O)N(C)C)oc2c1OC
18072 OC(CNCc1ccccc1)c1cccc(c1)C(F)(F)F
18073 N[C@@H](Cc1ccccc1)C(O)=O
18074 Cc1ccccc1CNCC(O)c1cccc(c1)C(F)(F)F
18075 OC(CNCc1ccccc1C(O)=O)c1cccc(c1)C(F)(F)F
18076 OC(CNCc1ccccc1N1CCOCC1)c1cccc(c1)C(F)(F)F
18077 OC(CNCc1ccccc1O)c1cccc(c1)C(F)(F)F
18078 OC(CNCc1ccccc1OC(F)F)c1cccc(c1)C(F)(F)F
18079 COc1ccccc1CNCC(O)c1cccc(c1)C(F)(F)F
18080 OC(CNCc1ccccc1OCC=C)c1cccc(c1)C(F)(F)F
18081 OC(CNCc1ccccc1OCc1ccccc1)c1cccc(c1)C(F)(F)F
18082 COc1ccccc1CNCC(O)c1cccc(Br)c1
18083 COc1ccccc1CNCC(O)c1cccc(C)c1
18084 COc1ccccc1CNCC(O)c1cccc(OC(F)(F)F)c1
18085 OC(CNCc1ccccc1OCc1ccccc1)c1cccc(Cl)c1
18086 OC(CNCc1ccccc1OCc1ccccc1)c1cccc(I)c1
18087 COc1cccc(c1)C(O)CNCc1ccccc1OCc1ccccc1
18088 OCc1cccc(c1)C(O)CNCc1ccccc1OCc1ccccc1
18089 COc1ccccc1CNCC(O)c1cc(Br)cs1
18090 OC(CNCc1ccccc1Oc1ccccc1)c1cc(Br)cs1
18091 COCOc1ccccc1CNCC(O)c1cc(Br)cs1
18092 OC(CNCc1ccccc1OCC#N)c1cc(Br)cs1
18093 OCCOc1ccccc1CNCC(O)c1cc(Br)cs1
18094 NCCOc1ccccc1CNCC(O)c1cc(Br)cs1
18095 OC(CNCc1ccccc1OCCN1C(=O)c2ccccc2C1=O)c1cc(Br)cs1
18096 OC(CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1
18097 OC(CNCc1ccccc1OCC=C)c1cc(Br)cs1
18098 OC(CNCc1ccccc1OCc1ccccc1)c1cc(Br)cs1
18099 CS(=O)(=O)c1ccc(COc2ccccc2CNCC(O)c2cc(Br)cs2)cc1
18100 OC(CNCc1ccccc1OCc1ccccn1)c1cc(Br)cs1
18101 OC(CNCc1ccccc1OCc1cccnc1)c1cc(Br)cs1
18102 OC(CNCc1ccccc1OCc1ccncc1)c1cc(Br)cs1
18103 OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1
18104 NC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
18105 CCNC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
18106 CNC(=O)CNC(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
18107 CN(CCO)C(=O)COc1ccccc1CNCC(O)c1cc(Br)cs1
18108 OC(CNCc1ccccc1OCCC(O)=O)c1cc(Br)cs1
18109 CNC(=O)CNC(=O)CCOc1ccccc1CNCC(O)c1cc(Br)cs1
18110 CN(CCO)C(=O)CCOc1ccccc1CNCC(O)c1cc(Br)cs1
18111 OC(CNCc1ccccc1OCCCC(O)=O)c1cc(Br)cs1
18112 CNC(=O)CNC(=O)CCCOc1ccccc1CNCC(O)c1cc(Br)cs1
18113 CN(CCO)C(=O)CCCOc1ccccc1CNCC(O)c1cc(Br)cs1
18114 NCCCCOc1ccccc1CNCC(O)c1cc(Br)cs1
18115 OC(CNCc1ccccc1OCCCCN1C(=O)c2ccccc2C1=O)c1cc(Br)cs1
18116 OCCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 |r|
18117 OCCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 |r|
18118 N[C@@H](CCC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
18120 N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
18121 N[C@@H](CCC(N)=O)C(O)=O
18122 N[C@@H](CCC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
18123 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)[C@H]1O |r|
18124 N[C@H](COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC(O)=O |r|
18125 N[C@@H](CC(O)=O)C(O)=O
18126 NC(CC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
18127 NC(CC(O)=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
18128 [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O |r|
18129 N[C@@H](Cc1ccc(O)cc1)C(O)=O
18130 [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@](O)(CO)[C@@H](O)CN1O |r|
18131 [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)OCCCC)[C@H](O)[C@](O)(CO)[C@@H](O)CN1O |r|
18132 [H][C@]1(O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
18133 NCC(O)=O
18134 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O |r|
18135 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
18136 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
18137 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
18138 NCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
18139 CCCCC[C@H](N)C(O)=O |r|
18140 CC[C@H](C)[C@H](N)C(O)=O
18141 CC[C@H](C)C[C@H](N)C(O)=O |r|
18142 CC(C)CCC(N)C(O)=O
18143 CC(C)CC[C@H](N)C(O)=O |r|
18144 CCC(CC)C(N)C(O)=O
18145 CCC(CC)[C@H](N)C(O)=O |r|
18146 CCC(C)(C)C(N)C(O)=O
18147 CC(C)(C)CC(N)C(O)=O
18148 CC(C)(C)C[C@H](N)C(O)=O |r|
18149 CCC[C@H](C)C(N)C(O)=O |r|
18150 CCC[C@H](C)[C@H](N)C(O)=O |r|
18151 CCC[C@@H](C)C(N)C(O)=O |r|
18152 CC(C)[C@H](C)[C@H](N)C(O)=O |r|
18153 CC(C)[C@@H](C)C(N)C(O)=O |r|
18154 CC(C)[C@@H](C)[C@H](N)C(O)=O |r|
18155 CCCC[C@H](C)C(N)C(O)=O |r|
18156 CCCC[C@@H](C)C(N)C(O)=O |r|
18157 CCC[C@H](CC)C(N)C(O)=O |r|
18158 CCC[C@@H](CC)C(N)C(O)=O |r|
18159 CCC(C)[C@H](N)CO
18160 CC(C)[C@H](N)CO
18161 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
18162 Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|
18163 Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;21.55,-7.96,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|
18164 Oc1c2CCCn2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |(-3.62,5.53,;-3.62,3.99,;-4.86,3.09,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-2.85,1.62,;-1.94,.38,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,)|
18165 O[C@@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wD:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)|
18166 O[C@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wU:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)|
18167 OC1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
18168 O[C@@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
18169 O[C@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
18170 OC1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
18171 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
18172 O[C@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
18173 Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)|
18174 [H][C@]12CN(C(=O)N1CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|
18175 [H][C@]12CN(C(=O)[C@@]1([H])CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|
18176 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|
18177 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
18178 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
18179 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C)c1ccc(C#N)c(Cl)c1C |r|
18180 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
18181 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
18182 [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|
18183 [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
18184 [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
18185 [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
18186 [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
18187 [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(C)C)c1ccc(C#N)c(Cl)c1C |r|
18188 [H][C@@]12[C@@H](O)CCN1C(=O)C(=C2C)c1ccc(C#N)c(Cl)c1C |r,c:10|
18189 [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20|
18190 CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18191 FC(F)(F)c1cc(=O)[nH]c2cc3OCCNc3cc12
18192 CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18193 CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18194 CCCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18195 CC(C)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18196 CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18197 FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18198 FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12
18199 FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(Cc4ccccc4)c3cc12
18200 CC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
18201 CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
18202 CCC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
18203 CCC1CN(CC)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
18204 CCC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
18205 C[C@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|
18206 C[C@@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|
18207 [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
18208 CC1COc2cc3[nH]c(=O)cc(c3cc2N1)C(F)(F)F
18209 CCN1C(C)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
18210 CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC)C(F)(F)F
18211 CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
18212 CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
18213 CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
18214 CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
18215 C[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
18216 C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
18217 CC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
18218 CC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
18219 CC(C)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
18220 CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
18221 FC(F)(F)c1cc(=O)[nH]c2cc3OC[C@H]4CCCN4c3cc12 |r|
18222 FC(F)(F)c1cc(=O)[nH]c2cc3OCC4CCCCN4c3cc12
18223 COc1cc(cc(Cc2cnc(N)nc2N)c1OC)C#CCCCC(O)=O
18224 COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18225 COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
18226 COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
18227 COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
18228 COc1ccc(OCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18229 COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
18230 COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
18231 COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
18232 COc1ccc(C#CCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18233 COc1ccc(C#CCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18234 Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCC(O)=O)cnc2n1 |c:17|
18235 Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCCC(O)=O)cnc2n1 |c:17|
18236 Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCCCC(O)=O)cnc2n1 |c:17|
18237 COc1cc(Cc2cnc(N)nc2N)cc(C#CCCC(O)=O)c1Br
18238 CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18239 CCOC(=O)CCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18240 CCOC(=O)CCCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18241 COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18242 CCOC(=O)CCCOc1ccc(OC)cc1Cc1cnc2nc(N)nc(N)c2c1C
18243 COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
18244 COc1ccc(I)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
18245 Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r|
18246 CCc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)nc(N)c12 |r|
18247 CCc1c(Sc2cccc3ccccc23)[nH]c2nc(N)nc(N)c12
18248 CCc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12
18249 CCc1c(Sc2ccc(cc2)[N+]([O-])=O)[nH]c2nc(N)nc(N)c12
18250 CCc1c(Sc2ccc(Br)cc2)[nH]c2nc(N)nc(N)c12
18251 CCc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12
18252 CCc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12
18253 CCc1c(Sc2ccc(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12
18254 CCc1c(Sc2ccc(OC)cc2)[nH]c2nc(N)nc(N)c12
18255 CCc1c(Sc2cc(OC)ccc2OC)[nH]c2nc(N)nc(N)c12
18256 CCc1c(Sc2cccc(OC)c2)[nH]c2nc(N)nc(N)c12
18257 CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12
18258 CCc1c(Sc2cccc3cccnc23)[nH]c2nc(N)nc(N)c12
18259 CCc1c(Sc2c(C)cccc2C)[nH]c2nc(N)nc(N)c12
18260 CCc1c(Sc2ccc(Cl)cc2)[nH]c2nc(N)nc(N)c12
18261 CCc1c(Sc2c(Cl)cccc2Cl)[nH]c2nc(N)nc(N)c12
18262 Cc1c(Sc2ccc3ccccc3c2)[nH]c2nc(N)nc(N)c12
18263 Cc1c(Sc2cccc(Cl)c2)[nH]c2nc(N)nc(N)c12
18264 Cc1c(Sc2ccc(Cl)cc2)[nH]c2nc(N)nc(N)c12
18265 Cc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12
18266 COc1ccc(Sc2[nH]c3nc(N)nc(N)c3c2C)cc1
18267 COc1ccc(OC)c(Sc2[nH]c3nc(N)nc(N)c3c2C)c1
18268 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
18269 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(=O)OC)c1)C(C)(C)C)C(C)C |r|
18270 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)OC)c1)C(C)C |r|
18271 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(N)=O)c1)C(C)(C)C)C(C)C |r|
18272 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(N)=O)c1)C(C)C |r|
18273 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCC(=O)NC)c1)C(C)C |r|
18274 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCS(C)(=O)=O)c1)C(C)(C)C)C(C)C |r|
18275 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCS(C)(=O)=O)c1)C(C)C |r|
18276 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCc2ccncc2)c1)C(C)(C)C)C(C)C |r|
18277 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C |r|
18278 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C |r|
18279 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOC)c1)C(C)C |r|
18280 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCC)c1)C(C)C |r|
18281 CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r|
18282 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOCC)c1)C(C)C |r|
18283 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCO)c1)C(C)C |r|
18284 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCCOC)c1)C(C)C |r|
18285 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCOCCOC)c1)C(C)C |r|
18286 CCCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)ccc1OC |r|
18287 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCO)C(C)C)ccc1OC |r|
18288 COCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r|
18289 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCO)C(C)C)ccc1OC |r|
18290 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN(C)C)C(C)C)ccc1OC |r|
18291 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN)C(C)C)ccc1OC |r|
18292 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCCCC2)C(C)C)ccc1OC |r|
18293 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r|
18294 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2C[C@H](C)O[C@H](C)C2)C(C)C)ccc1OC |r|
18295 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC |r|
18296 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC |r|
18297 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCSCC2)C(C)C)ccc1OC |r|
18298 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)C(C)C)ccc1OC |r|
18299 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(O)CC2)C(C)C)ccc1OC |r|
18300 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCC(CC2)OC)C(C)C)ccc1OC |r|
18301 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(O)=O)C(C)C)ccc1OC |r|
18302 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(O)=O)C(C)C)ccc1OC |r|
18303 CCOC(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r|
18304 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)OC)C(C)C)ccc1OC |r|
18305 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCOC(C)=O)C(C)C)ccc1OC |r|
18306 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC#N)C(C)C)ccc1OC |r|
18307 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCC(N)=O)C(C)C)ccc1OC |r|
18308 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC |r|
18309 CNC(=O)CCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r|
18310 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)NCCOC)C(C)C)ccc1OC |r|
18311 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCCC(N)=O)C(C)C)ccc1OC |r|
18312 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC |r|
18313 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC |r|
18314 CCS(=O)(=O)CCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C |r|
18315 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCS(=O)(=O)C(C)(C)C)C(C)C)ccc1OC |r|
18316 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCS(=O)(=O)N(C)C)C(C)C)ccc1OC |r|
18317 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC |r|
18318 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2cnc[nH]2)C(C)C)ccc1OC |r|
18319 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[nH]2)C(C)C)ccc1OC |r|
18320 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCc2nc(C)no2)C(C)C)ccc1OC |r|
18321 CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r|
18322 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(N)=O)C(C)C)ccc1OC |r|
18323 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCC(N)=O)C(C)C)ccc1OC |r|
18324 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(N)=O)C(C)C)ccc1OC |r|
18325 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(N)=O)C(C)C)ccc1OC |r|
18326 CC[C@H](NC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C)C(N)=O |r|
18327 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](CO)C(N)=O)C(C)C)ccc1OC |r|
18328 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
18329 CNC(=O)CCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r|
18330 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCC(=O)N(C)C)C(C)C)ccc1OC |r|
18331 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@@H](C)CC(N)=O)C(C)C)ccc1OC |r|
18332 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)N[C@H](C)CC(N)=O)C(C)C)ccc1OC |r|
18333 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@H](C)C(N)=O)C(C)C)ccc1OC |r|
18334 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@@H](C)C(N)=O)C(C)C)ccc1OC |r|
18335 CNC(=O)[C@@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r|
18336 CNC(=O)[C@H](C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r|
18337 CNC(=O)C(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r|
18338 CNC(=O)CCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |r|
18339 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCC(=O)N(C)C)C(C)C)ccc1OC |r|
18340 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@@H]2CCC(=O)N2)C(C)C)ccc1OC |r|
18341 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC[C@H]2CCC(=O)N2)C(C)C)ccc1OC |r|
18342 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r|
18343 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC |r|
18344 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)N2CCOCC2)C(C)C)ccc1OC |r|
18345 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC(C)(C)CN2CCOCC2)C(C)C)ccc1OC |r|
18346 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NC(C)CN2CCOCC2)C(C)C)ccc1OC |r|
18347 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(O)=O)C(C)C)ccc1OC |r|
18348 COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCc2nnn[nH]2)C(C)C)ccc1OC |r|
18349 COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r|
18350 COCCCCc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
18351 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
18352 Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
18353 CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
18354 CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
18355 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
18356 CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
18357 CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
18358 CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
18359 C[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
18360 CCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
18361 CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
18362 CCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
18363 CCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
18364 CCCCCCCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
18365 Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
18366 OC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@@H]1O
18367 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:26:17:24:20.21.22,16:17:20:24.22.23,16:17:24:20.21.22,THB:26:21:24:18.25.17,25:23:20:18.26.17,25:17:20:24.22.23|
18368 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:27:18:25:21.22.23,17:18:21:25.23.24,17:18:25:21.22.23,THB:27:22:25:19.26.18,26:24:21:19.27.18,26:18:21:25.23.24|
18369 OC[C@H]1CN(CCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,TLB:20:11:18:14.15.16,10:11:14:18.16.17,10:11:18:14.15.16,THB:20:15:18:12.19.11,19:17:14:12.20.11,19:11:14:18.16.17|
18370 OC[C@H]1CN(CCCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,TLB:21:12:19:15.16.17,11:12:15:19.17.18,11:12:19:15.16.17,THB:21:16:19:13.20.12,20:18:15:13.21.12,20:12:15:19.17.18|
18371 OC[C@H]1CN(CCCCCC(=O)NC23CC4CC(CC(C4)C2)C3)C[C@@H](O)[C@@H]1O |r,TLB:22:13:20:16.17.18,12:13:16:20.18.19,12:13:20:16.17.18,THB:22:17:20:14.21.13,21:19:16:14.22.13,21:13:16:20.18.19|
18372 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
18373 C[C@](O)(CC(O)=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
18374 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccc1)-c1ccc(F)cc1 |r|
18375 [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9|
18376 COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r|
18377 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(N)=O)-c1ccccn1)-c1ccc(F)cc1 |r|
18378 CCNC(=O)c1c(c(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n1C(C)C)-c1ccc(F)cc1)-c1ccccn1 |r|
18379 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C#N)-c1ccccn1)-c1ccc(F)cc1 |r|
18380 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)NCc1ccccc1)-c1ccccn1)-c1ccc(F)cc1 |r|
18381 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccn1)-c1ccc(F)cc1 |r|
18382 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C([O-])=O)-c1ccc(F)cc1 |r|
18383 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1cnc(C)cn1)-c1ccc(F)cc1 |r|
18384 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(OC)cc1)-c1ccc(F)cc1 |r|
18385 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(N)=O)-c1ccc(F)cc1 |r|
18386 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)Nc1ccccc1)-c1ccc(F)cc1 |r|
18387 CCn1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(C)c1C(=O)NCc1ccc(cc1)C(=O)OC)-c1ccc(F)cc1 |r|
18388 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
18389 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
18390 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(F)c1F)-c1ccc(F)cc1 |r|
18391 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1F)-c1ccc(F)cc1 |r|
18392 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(C)cc1)-c1ccc(F)cc1 |r|
18393 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
18394 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(C)c1)-c1ccc(F)cc1 |r|
18395 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1C)-c1ccc(F)cc1 |r|
18396 COc1ccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
18397 COc1cccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
18398 COc1ccccc1CNC(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
18399 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(Cl)cc1)-c1ccc(F)cc1 |r|
18400 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
18401 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1Cl)-c1ccc(F)cc1 |r|
18402 CCOc1cccc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
18403 COc1cc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)cc(OC)c1 |r|
18404 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
18405 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
18406 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1 |r|
18407 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(c1)C(F)(F)F)-c1ccc(F)cc1 |r|
18408 COc1cccc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
18409 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |r|
18410 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1 |r|
18411 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1)-c1ccc(F)cc1 |r|
18412 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)[C@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
18413 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCCc1ccccc1)-c1ccc(F)cc1 |r|
18414 CCN(Cc1ccccc1)C(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
18415 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)NCC1CCCCC1 |r|
18416 CCCCNC(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
18417 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N(C)CC1CCCCC1 |r|
18418 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCCC1c1ccccc1 |r|
18419 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCc2ccccc2C1)-c1ccc(F)cc1 |r|
18420 CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)c1ccccc1 |r|
18421 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCCCC1)-c1ccc(F)cc1 |r|
18422 CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccn1)-c1ccc(F)cc1 |r|
18423 COCc1cccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
18424 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
18425 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
18426 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
18427 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCC[C@@H](C1)c1ccccc1)-c1ccc(F)cc1 |r|
18428 Cc1cc(nc2ccc(NC(=O)C3CCCCC3)cc12)N1CCOCC1
18429 OC[C@H]1O[C@@H](Oc2ccc3nc4ccc(=O)cc4oc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
18430 CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
18431 CCCC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-16.03,6.94,;-14.69,6.17,;-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
18432 Cc1cc(nc2ccc(NC(=O)C3CC3)cc12)N1CCOCC1
18433 CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCC(C)CC1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;5.31,-.76,;3.98,1.55,;2.64,2.32,)|
18434 CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCCCC1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
18435 CCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1 |(2.64,-.76,;1.31,.01,;1.31,1.55,;2.64,2.32,;3.98,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;-5.36,3.86,;-6.69,4.63,;-8.03,3.86,;-8.03,2.32,;-9.36,4.63,;-9.46,6.17,;-10.84,6.85,;-12.12,6,;-13.5,6.68,;-12.02,4.46,;-10.64,3.78,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,)|
18436 CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(CC1)c1ncccn1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;2.66,2.3,;3.98,1.5,;3.95,-.04,;2.6,-.78,;1.28,.01,;5.27,-.84,;6.57,-.02,;7.93,-.75,;7.98,-2.29,;6.67,-3.1,;5.32,-2.37,)|
18437 CC1CCC(CC1)C(=O)Nc1ccc2nc(Nc3cccc(Cl)c3)cc(C)c2c1 |(-13.5,6.68,;-12.12,6,;-10.84,6.85,;-9.46,6.17,;-9.36,4.63,;-10.64,3.78,;-12.02,4.46,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;1.31,1.55,;1.28,.01,;-.03,-.8,;.02,-2.34,;1.37,-3.07,;2.68,-2.26,;4.04,-2.99,;2.64,-.72,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,)|
18438 CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
18439 Cc1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)no1
18440 CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
18441 CCc1nnc(NC(=O)c2ccc(cc2)N(C)S(=O)(=O)c2ccccc2)s1
18442 CN(c1ccc(cc1)C(=O)Nc1cc(C)on1)S(=O)(=O)c1ccccc1
18443 Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1nccs1
18444 CN(c1ccc(cc1)C(=O)Nc1nccs1)S(=O)(=O)c1ccccc1
18445 O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
18446 O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
18447 COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
18448 Cc1cccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
18449 OCCNc1nc(Nc2ccc(Cl)cc2)nc(n1)N1CCCC1
18450 Cc1cccc(Nc2nc(NCCO)nc(n2)N2CCOCC2)c1
18451 OCCNc1nc(Nc2ccc(Cl)cc2)nc(n1)N1CCOCC1
18452 CCCCNc1nc(Nc2cc(Cl)ccc2OC)nc(n1)N1CCCC1
18453 COc1ccccc1Nc1nc(NCC(C)O)nc(n1)N1CCCC1
18454 COc1ccccc1Nc1nc(NCC(O)Cc2ccccc2)nc(n1)N1CCCC1
18455 COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCOCC1
18456 COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCCC1
18457 CCCCNc1nc(NCCO)nc(Nc2ccccc2OC)n1
18458 COc1ccccc1Nc1nc(NCCO)nc(NCc2ccccc2)n1
18459 COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCC(F)(F)C1
18460 COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCC1
18461 Cc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
18462 Cc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)cc1
18463 OCCNc1nc(Nc2ccccc2Cl)nc(n1)N1CCCC1
18464 OCCNc1nc(Nc2cccc(Cl)c2)nc(n1)N1CCCC1
18465 COc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
18466 COc1cccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
18467 COc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)cc1
18468 OCCNc1nc(Nc2ccccc2O)nc(n1)N1CCCC1
18469 CCOc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
18470 OCCNc1nc(Nc2ccccc2Oc2ccccc2)nc(n1)N1CCCC1
18471 CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
18472 OCCNc1nc(Nc2ccccc2OCc2ccccc2)nc(n1)N1CCCC1
18473 OCCNc1nc(Nc2ccccc2OC(F)(F)F)nc(n1)N1CCCC1
18474 CSc1ccccc1Nc1nc(NCCO)nc(n1)N1CCCC1
18475 COc1ccc(OC)c(Nc2nc(NCCO)nc(n2)N2CCCC2)c1
18476 COc1ccc(Nc2nc(NCCO)nc(n2)N2CCCC2)c(OC)c1
18477 COc1ccc(cc1Nc1nc(NCCO)nc(n1)N1CCCC1)C(F)(F)F
18478 COc1ccc(cc1Nc1nc(NCCO)nc(n1)N1CCCC1)-c1ccccc1
18479 OCCNc1nc(Nc2cc(Cl)ccc2O)nc(n1)N1CCCC1
18480 OCCNc1nc(Nc2cc(ccc2O)-c2ccccc2)nc(n1)N1CCCC1
18481 CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
18482 CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
18483 CC(C)(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1
18484 OCCNc1nc(Nc2ccccc2)nc(n1)N1CCCC1
18485 COc1cc(cc(OC)c1OC)C#Cc1cnc(N)nc1N
18486 COc1cc(\C=C\c2cnc(N)nc2N)cc(OC)c1OC
18487 COc1cc(\C=C/c2cnc(N)nc2N)cc(OC)c1OC
18488 COc1cc(CCc2cnc(N)nc2N)cc(OC)c1OC
18489 COc1cc(CC#Cc2cnc(N)nc2N)cc(OC)c1OC
18490 COc1cc(CC#Cc2c(C)nc(N)nc2N)cc(OC)c1OC
18491 COc1cc(cc(OC)c1OC)C(C)C#Cc1cnc(N)nc1N
18492 COc1cc(cc(OC)c1OC)C(C)C#Cc1c(C)nc(N)nc1N
18493 COc1cc(cc(OC)c1OC)C(O)C#Cc1cnc(N)nc1N
18494 COc1cc(cc(OC)c1OC)C(O)C#Cc1c(C)nc(N)nc1N
18495 COC(C#Cc1cnc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
18496 COC(C#Cc1c(C)nc(N)nc1N)c1cc(OC)c(OC)c(OC)c1
18497 COc1cc(cc(OC)c1OC)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
18498 COc1cc(cc(OC)c1OC)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
18499 COc1cc(NCc2ccc3nc(N)nc(N)c3c2)c(Br)c(OC)c1OC
18500 Nc1nc(N)c2nc(CNc3ccc4cc(Cl)c(Cl)cc4c3)cnc2n1
18501 Nc1nc(N)c2nc(CNc3ccc4cc(Cl)ccc4c3)cnc2n1
18502 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2cc(Cl)ccc2c1
18503 Nc1nc(N)c2nc(CNc3ccc4c(Cl)cc(Cl)cc4c3)cnc2n1
18504 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc2c(Cl)cc(Cl)cc2c1
18505 CN(Cc1nc2c(N)nc(N)nc2nc1C)c1ccc2c(Cl)cc(Cl)cc2c1
18506 Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1 |c:17|
18507 COc1cc(CCc2c[nH]c3nc(N)nc(N)c23)cc(OC)c1OC
18508 COc1ccc(I)cc1Cc1cnc(N)nc1N
18509 COc1ccc(cc1Cc1cnc(N)nc1N)C#CCCCCC(O)=O
18510 COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N
18511 COc1ccc(CCCCCC(O)=O)cc1Cc1cnc(N)nc1N
18512 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
18513 Nc1nc(N)c2cc3c(ccc4ccccc34)cc2n1
18514 Nc1nc(N)c2c(ccc3c4ccccc4ccc23)n1
18515 Nc1nc(N)c2c(ccc3cc4ccccc4cc23)n1
18516 FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N1CCCC1
18517 CC1CCCN1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18518 C[C@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18519 C[C@@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18520 C[C@@H]1CC[C@H](CO)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18521 C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18522 C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18523 C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18524 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18525 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
18526 Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18527 CCCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18528 CC(C)Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18529 CN(C)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18530 CCN(CC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18531 CCCN(CCC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18532 CCCCN(CCCC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18533 CCN(C(C)C)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18534 FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N(CC1CC1)CC1CC1
18535 CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18536 FC(F)(F)CN(CC1CC1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18537 CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F |c:17|
18538 CCC1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
18539 CCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18540 Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18541 CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18542 CCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18543 CCCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18544 CC(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18545 CC(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18546 CC(C)(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18547 CCC(C)(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18548 CC(C)(Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F)C=C
18549 FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCC3)ccc12
18550 FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCC3)ccc12
18551 FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCCC3)ccc12
18552 FC(F)(F)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18553 FC(F)(F)c1cc(=O)[nH]c2cc(NCC(F)(F)C(F)(F)F)ccc12
18554 FC(F)(F)c1cc(=O)[nH]c2cc(NCc3ccccc3)ccc12
18555 CN(C)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18556 CCN(CC)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18557 CCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18558 CCCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
18559 Cc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
18560 CCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
18561 CCCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
18562 CCC(C)c1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
18563 CCCNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F
18564 CC(C)CNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F
18565 CCc1cc2c(cc(=O)[nH]c2cc1NC)C(F)(F)F
18566 CCc1cc2c(cc(=O)[nH]c2cc1NCC(F)(F)F)C(F)(F)F
18567 FC(F)(F)CNc1ccc2c(cc(=O)oc2c1)C(F)(F)F
18568 FC(F)(F)CN(CC(F)(F)F)c1ccc2c(cc(=O)oc2c1)C(F)(F)F
18569 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CC2CCCC(C2)C1 |r,@:26,TLB:11:8:25:2.4.3|
18570 CCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18571 FC(F)(F)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18572 FC(F)(F)c1cc(=O)[nH]c2ccc(NCC(F)(F)C(F)(F)F)cc12
18573 FC(F)(F)c1cc(=O)[nH]c2ccc(NC3CCCC3)cc12
18574 CC(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18575 CC(C)(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18576 [H][C@]12CC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C(CC)CC |r,TLB:10:7:24:2.3|
18577 [H][C@]12CCC[C@]([H])(C[C@@]([H])(C1)n1c3ccccc3nc(C(O)=O)c1=O)N2C1CCC(C)(C)CC1 |r,TLB:11:8:25:2.4.3|
18578 FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18579 FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18580 CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18581 [H]C1(CC2CCCC(C2)C1)N1[C@@]2([H])CCC[C@]1([H])C[C@@]([H])(C2)n1c2ccccc2nc(C(O)=O)c1=O |r,@:10,@@:1,TLB:10:1:8:4.5.6,THB:22:19:10:13.15.14|
18582 CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18583 CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18584 CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18585 CC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18586 CC(C)(C)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18587 CCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18588 FC(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18589 FC(F)(F)CN(CCCl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18590 FC(F)(F)CN(CC(Cl)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18591 FC(F)(F)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18592 FC(F)(F)CN(CC(F)(F)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18593 OCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18594 FC(F)(F)CN(Cc1ccccc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18595 FC(F)(F)CN(Cc1cccs1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18596 CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18597 FC(F)(F)CN(C(=O)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18598 CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18599 CCN(C(C)C(C)=O)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
18600 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)ccc2c1
18601 Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18602 CCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18603 CCCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18604 CC(C)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18605 FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18606 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Cl)c2c1
18607 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Br)c2c1
18608 COc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18609 Oc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
18610 C[C@@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r|
18611 C[C@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r|
18612 C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18613 C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
18614 CC(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C)c2c1
18615 COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:35|
18616 COc1c(O)ccc2O\C(=C/c3sccc3CO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:28|
18617 COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:30|
18618 COc1c(O)ccc2O\C(=C/c3sccc3COCCO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:31|
18619 COc1c(O)ccc2O\C(=C/c3sccc3CNCC(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:33|
18620 COc1c(O)ccc2O\C(=C/c3sccc3C#N)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:28|
18621 COc1c(O)ccc2OC(=Cc3sccc3C(C)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:29|
18622 COc1c(O)ccc2OC(=Cc3sccc3C(C)N=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:30|
18623 CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|
18624 CCO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:33|
18625 COC(=O)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:31|
18626 CC\C=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|
18627 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
18628 COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:32|
18629 COc1c(O)ccc2O\C(=C/c3sccc3[C@H](O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:32|
18630 COc1c(O)ccc2O\C(=C/c3sccc3[C@@H](O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |r,t:32|
18631 COc1c(O)ccc2OC(=Cc3sccc3C(=O)C3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:35|
18632 COc1c(O)ccc2O\C(=C/c3sccc3C(C)O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
18633 CCCCC(O)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:33|
18634 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(F)cc1F)c1ccc(C#N)c(c1)C(F)(F)F |r|
18635 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18636 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18637 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18638 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ncccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18639 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18640 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18641 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18642 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
18643 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cnccc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
18644 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncc(C)c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18645 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(C)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18646 COc1ncccc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
18647 COc1ccncc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
18648 COc1cncc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
18649 COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
18650 CSc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
18651 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(Cl)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18652 COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
18653 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(C)=O)c1ccc(C#N)c(c1)C(F)(F)F |r|
18654 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C#N)c1ccc(C#N)c(c1)C(F)(F)F |r|
18655 CC1CN(C(C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F
18656 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
18657 C[C@H]1CN([C@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
18658 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(=O)[nH]c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18659 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(N)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
18660 [H][C@@]12CC[C@](C)(C(=O)CC)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:15,21|
18661 CC(=O)Nc1ccc(SC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18662 CCC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
18663 C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18664 C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18665 CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18666 CC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18667 CCC(=O)c1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18668 C[C@](O)(COc1ccc(Cl)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18669 C[C@](O)(COc1ccc(Br)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18670 C[C@](O)(COc1ccc(I)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18671 Cc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18672 COc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18673 CC(C)(C)OC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18674 C[C@](O)(COc1ccc(cc1)-c1ccc2[nH]ccc2c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18675 CC(O)(COc1ccc([N-]C#[S+])cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
18676 C[C@](O)(CNc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18677 CC(=O)Nc1ccc(NC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
18678 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18679 C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18680 C[C@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18681 C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18682 C[C@](O)(CSc1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18683 C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18684 C[C@](O)(CS(=O)(=O)c1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18685 C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18686 C[C@](O)(CSc1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18687 C[C@](O)(CSc1ccc(NC(=O)CBr)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18688 C[C@](O)(CSc1cccc(NC(=O)CBr)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18689 C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18690 C[C@](O)(CS(=O)(=O)c1cccc(NC(=O)CCl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18691 C[C@](O)(CS(=O)(=O)c1ccc(NC(=O)CBr)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18692 C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18693 C[C@@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18694 C[C@@](O)(CSc1cccc(N)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18695 C[C@@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18696 C[C@@](O)(CSc1cccc(c1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18697 C[C@@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18698 C[C@](O)(CBr)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18699 C[C@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18700 C[C@](O)(CI)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
18701 C[C@](O)(CI)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
18702 COc1ccccc1-c1ccc2NC(C)(C)C=C(CNCC=C)c2c1 |t:17|
18704 COc1ccccc1-c1ccc2NC(C)(C)C=C(COCC=C)c2c1 |t:17|
18705 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17|
18706 CCCSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:5|
18707 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCC3)c2c1 |t:17|
18708 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCCC3)c2c1 |t:17|
18709 CCC(C)CSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:7|
18710 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCC(C)C)c2c1 |t:17|
18711 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccccc3)c2c1 |t:17|
18712 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCc3ccccc3)c2c1 |t:17|
18713 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:17|
18714 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccc(Cl)cc3)c2c1 |t:17|
18715 COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC(C)=O)c2c1 |t:17|
18716 COc1ccccc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:17|
18717 CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1ccccc1F |c:16|
18718 COc1cccc(c1)-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17|
18719 COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:18|
18720 CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1cccc(O)c1Cl |c:16|
18721 COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:18|
18722 CC1(C)Nc2ccc(cc2C(CSCCc2ccccc2)=C1)-c1cccc(O)c1Cl |c:22|
18724 COc1ccccc1-c1ccc2NC(C)(C)C=C(CS(=O)CC=C)c2c1 |t:17|
18725 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)SCC=C)c2c1 |t:17|
18727 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCC=C)c2c1 |t:17|
18728 CCC(OCC=C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:7|
18729 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(OCC=C)C(C)C)c2c1 |t:17|
18730 CCCC(OCC=C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:8|
18731 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(CC=C)OCC=C)c2c1 |t:17|
18732 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(OCC=C)c3ccccc3)c2c1 |t:17|
18733 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(Cc3ccccc3)OCC=C)c2c1 |t:17|
18734 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(CCc3ccccc3)OCC=C)c2c1 |t:17|
18735 COC(C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:4|
18736 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OC\C=C\C)c2c1 |t:17|
18737 [#6]-[#8]-c1ccccc1-c1ccc2-[#7]C([#6])([#6])[#6]=[#6](-[#6](-[#6])-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c2c1 |t:17|
18738 CC\C=C\COC(C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:8|
18739 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OC\C=C\c3ccccc3)c2c1 |t:17|
18740 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCCc3ccccc3)c2c1 |t:17|
18741 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccccc3)c2c1 |t:17|
18742 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccccc3Cl)c2c1 |t:17|
18743 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3cccc(Cl)c3)c2c1 |t:17|
18744 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccc(Cl)cc3)c2c1 |t:17|
18745 COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCC3CCCCC3)c2c1 |t:17|
18746 COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(C(C)OCC=C)c2c1 |t:18|
18747 CCOC(=O)CC(=O)OCCOCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
18748 OC(=O)CC(=O)OCCOCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
18749 CC(COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C)NC(=O)CN(C)C
18750 CC(C)C(COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C)NC(=O)CN(C)C
18751 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)COCC(N)=N1 |r,c:27|
18752 COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccccc3)c2c1 |t:18|
18753 Oc1ccc(cc1Br)C1(OC(=O)c2ccc(Cl)c3cccc1c23)c1ccc(O)c(Br)c1
18754 Nc1nc2NCC3CN(CN3c2c(=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
18755 Oc1ccc(cc1)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)cc1
18756 Oc1ccc(cc1)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)cc1
18757 Oc1ccc(cc1I)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(I)c1
18758 Oc1ccc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1ccc(O)c(Br)c1
18759 Oc1c(Br)cc(cc1Br)C1(OC(=O)c2ccc3ccccc3c12)c1cc(Br)c(O)c(Br)c1
18760 Oc1ccc(cc1Cl)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)c(Cl)c1
18761 Oc1ccc(cc1F)C1(OC(=O)c2c1ccc1ccccc21)c1ccc(O)c(F)c1
18762 Oc1ccc(cc1I)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(I)c1
18763 Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
18764 Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(Cl)c1
18765 Oc1c(Cl)cc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1cc(Cl)c(O)c(Cl)c1
18766 Oc1ccc(cc1)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1
18767 Oc1ccc(cc1Br)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Br)c1
18768 Oc1c(Br)cc(cc1Br)C1(OC(=O)c2cccc3cccc1c23)c1cc(Br)c(O)c(Br)c1
18769 Oc1ccc(cc1F)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(F)c1
18770 Oc1ccc(cc1F)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(F)c1
18771 Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
18772 Oc1ccc(cc1Br)C1(OC(=O)c2cccc3c(Cl)ccc1c23)c1ccc(O)c(Br)c1
18773 CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccc3ccccc3c12)c1cc(C(C)C)c(O)cc1C
18774 Nc1ncc(c(N)n1)-c1ccc(Cl)cc1
18775 Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
18776 CC(C)Cc1nc(N)nc(N)c1-c1ccc(Cl)cc1
18777 CCCCCCCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
18778 COC(=O)CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
18779 CCc1nc(N)nc(N)c1-c1ccc(C)cc1
18780 CCc1nc(N)nc(N)c1-c1ccc(OC)cc1
18781 CCc1nc(N)nc(N)c1-c1ccc(Br)cc1
18782 CCc1nc(N)nc(N)c1-c1ccc(cc1)C(C)(C)C
18783 CCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
18784 CCc1nc(N)nc(N)c1-c1cccc(Cl)c1
18785 Cc1nc(N)nc(N)c1-c1cccc(Cl)c1
18786 Nc1nc(N)c(c(CCCc2ccccc2)n1)-c1cccc(Cl)c1
18787 Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)-c1cccc(Cl)c1
18788 CCc1nc(N)nc(N)c1-c1ccccc1
18789 Cc1nc(N)nc(N)c1-c1ccccc1
18790 CCCCCCc1nc(N)nc(N)c1-c1ccccc1
18791 Nc1nc(N)c(-c2ccccc2)c(CCCc2ccccc2)n1
18792 CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6|
18793 CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|
18794 Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[nH]c2nc(N)[nH]c(=O)c12 |r|
18795 CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
18796 Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
18797 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
18798 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
18799 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
18800 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
18801 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
18802 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
18803 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
18804 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Br)c1
18805 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F
18806 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1c(C)cccc1C
18807 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
18808 Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
18809 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
18810 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC)cc1
18811 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(OC)c1
18812 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc2ccccc12
18813 CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
18814 CCCCCCc1ccc(cc1)C(=O)CCN(C)CCc1ccccc1
18815 CCCCCCc1ccc(cc1)C(=O)CCN(C)CCO
18816 CCCCCCc1ccc(cc1)C(=O)CCN(C(C)C)C(C)C
18817 CCCCCCc1ccc(cc1)C(=O)CCN1CCCC1
18818 CCCCCCc1ccc(cc1)C(=O)CCN1CCOCC1
18819 CCCCCCc1ccc(cc1)C(=O)CCN1CCC(CC1)C(=O)OC
18820 CCCCCCc1ccc(cc1)C(=O)CCN(CCCC)CCCC
18821 CCCCCCc1ccc(cc1)C(=O)CCN(C)C
18822 CCCCCCc1ccc(cc1)C(=O)CCN(C)Cc1ccco1
18823 CCCCCCc1ccc(cc1)C(=O)CCN(C1CCCCC1)C1CCCCC1
18824 CCCCCCc1ccc(cc1)C(=O)CCNCCC
18825 CCCCCCc1ccc(cc1)C(=O)C=C
18826 CCCCCCc1ccc(cc1)C(=O)\C=C\C(O)=O
18827 CCCCCCCc1ccc(cc1)C(=O)C=CC |w:16.17|
18828 CCCCCCCc1ccc(cc1)C(=O)C(C)=C
18829 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(cc1)-[#6](=O)\[#6]=[#6](\[#6])-[#6]
18830 CCCCCCCc1ccc(cc1)C(=O)C(C)=CC |w:17.18|
18831 CCCCCCCc1ccc(cc1)C(=O)\C=C\c1ccccc1
18832 CCCCCCc1ccc(cc1)C(=O)CC
18833 CCCc1ccc(OC(=O)C=C)cc1
18834 CCCCc1ccc(OC(=O)C=C)cc1
18835 CCCCCc1ccc(OC(=O)C=C)cc1
18836 CCC(C)(C)c1ccc(OC(=O)C=C)cc1
18837 CCCCCCc1ccc(OC(=O)C=C)cc1
18838 CCCCCCCc1ccc(OC(=O)C=C)cc1
18839 CCCCCCCCc1ccc(OC(=O)C=C)cc1
18840 CCC(C)(C)C1CCC(CC1)OC(=O)C=C |(22,-28.08,;20.71,-27.32,;20.65,-25.77,;22.21,-25.77,;19.15,-25.77,;20.65,-24.21,;22,-23.51,;22.05,-21.95,;20.71,-21.2,;19.36,-21.9,;19.31,-23.46,;20.71,-19.64,;19.36,-18.89,;19.36,-17.33,;18.02,-19.64,;16.68,-18.83,)|
18841 CCCOC(=O)c1ccc(OC(=O)C=C)cc1
18842 CCCCCOC(=O)c1ccc(OC(=O)C=C)cc1
18843 CCCCCCOC(=O)c1ccccc1OC(=O)C=C
18844 CCCC(=O)Nc1ccc(OC(=O)C=C)cc1
18845 C=CC(=O)Oc1ccc2CCCCc2c1
18846 CCCCCCc1ccc(NC(=O)C=C)cc1
18847 CCCCCCc1ccc(NC(=O)\C=C/C(O)=O)cc1
18848 CCCCCCc1ccc(NC(=O)\C=C\C)cc1
18849 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-c1ccc(-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])cc1
18850 CCCCCCc1ccc(NC(=O)\C=C\c2ccccc2)cc1
18851 CCCCCCc1ccc(NC(=O)CC(=C)C(O)=O)cc1
18852 CCCCCCc1ccc(NC(=O)CCC(O)=O)cc1
18853 CCCCCCc1ccc(NC(=O)C#C)cc1
18854 CCCCCCc1ccc(OC(=O)C#C)cc1
18855 CCCCCCc1ccc(cc1)C(=O)CCl
18856 CCCCCCc1ccc(cc1)C(=O)CF
18857 CCCCCCc1ccc(cc1)C(=O)CCBr
18858 CCCCCCc1ccc(cc1)C(=O)CCCBr
18859 CCCCCCc1ccc(cc1)C(=O)C1CO1
18860 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
18862 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
18863 CC(C)c1cc(Oc2c(I)cc(C[C@@H](N)C(O)=O)cc2I)ccc1O |r|
18864 OC(=O)CCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
18865 CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)ccc1O
18866 CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)ccc1O
18867 CC(C)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
18868 CC(C)c1cc(Oc2c(Cl)cc(cc2Cl)C(O)=O)ccc1O
18869 CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
18870 CC(C)c1cc(Oc2c(Cl)cc(CCC(O)=O)cc2Cl)ccc1O
18871 CC(C)c1cc(Oc2c(Br)cc(CC(=O)NCC(O)=O)cc2Br)ccc1O
18872 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C)C(O)=O)cc2Br)ccc1O |r|
18873 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(O)=O)cc2Br)ccc1O |r|
18874 CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r|
18875 CC(C)[C@@H](NC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r|
18876 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(O)=O)c3ccccc3)cc2Br)ccc1O |r|
18877 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](C(O)=O)c3ccccc3)cc2Br)ccc1O |r|
18878 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](CC(O)=O)C(O)=O)cc2Br)ccc1O |r|
18879 CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@@H](CCO)C(O)=O)cc2Br)ccc1O |r|
18880 CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2cc(F)c(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r|
18881 CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2cc(Cl)c(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r|
18882 CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2cc(C)c(O)c(c2)C(C)C)c(Br)c1)C(O)=O |r|
18883 CC(C)c1cc(Oc2c(Br)cc(cc2Br)C(O)=O)cc(C(C)C)c1O
18884 CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(c1O)-c1ccc(cc1)[N+]([O-])=O
18885 CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)cc(C#Cc2ccc(cc2)[N+]([O-])=O)c1O
18886 CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)cc(\C=C\c2ccncc2)c1O
18887 OC(=O)CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1
18888 OC(=O)CCc1cc(Br)c(OCc2ccccc2)c(Br)c1
18889 Cc1ccccc1COc1c(Br)cc(CCC(O)=O)cc1Br
18890 Cc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
18891 Cc1ccc(COc2c(Br)cc(CCC(O)=O)cc2Br)cc1
18892 OC(=O)CCc1cc(Br)c(OCc2cccc(c2)C(F)(F)F)c(Br)c1
18893 OC(=O)CCc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1
18894 OC(=O)CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1
18895 Nc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
18896 CCNc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
18897 CCN(CC)c1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
18898 CCOc1c(Br)cc(CC(O)=O)cc1Br
18899 CCCCOc1c(Br)cc(CC(O)=O)cc1Br
18900 CCCCCOc1c(Br)cc(CC(O)=O)cc1Br
18901 CC(C)CCOc1c(Br)cc(CC(O)=O)cc1Br
18902 CCCCCCOc1c(Br)cc(CC(O)=O)cc1Br
18903 CCC(CC)COc1c(Br)cc(CC(O)=O)cc1Br
18904 OC(=O)Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1
18905 CC(C)CCOc1c(Br)cc(CCC(O)=O)cc1Br
18906 CCCCCCOc1c(Br)cc(CCC(O)=O)cc1Br
18907 CCC(CC)COc1c(Br)cc(CCC(O)=O)cc1Br
18908 N[N+](=C([NH-])c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2Cl)[N+]([O-])=O)c(Cl)c1 |w:1.0|
18909 N[N+](=C([NH-])c1ccccn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2Cl)[N+]([O-])=O)c(Cl)c1 |w:1.0|
18910 N[N+](=C([NH-])CCl)S(=O)(=O)c1cc(Cl)c(Oc2ccc(cc2Cl)[N+]([O-])=O)c(Cl)c1 |w:1.0|
18911 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1
18912 Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCC(=O)c1ccc(Cl)cc1Cl
18913 CCc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
18914 CCC(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
18915 CC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
18916 CCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
18917 CCCC(C)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
18918 CCC(CC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
18919 CCCC(CCC)C(=O)Nc1ccc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)cc1Br
18920 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2)c(Cl)c1
18921 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2C(F)(F)F)c(Cl)c1
18922 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(c2)C(F)(F)F)c(Cl)c1
18923 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(cc2)C(F)(F)F)c(Cl)c1
18924 CC(C)c1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
18925 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(c2)-c2ccccc2)c(Cl)c1
18926 COc1cccc(c1)-c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
18927 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(OC(F)F)c2)c(Cl)c1
18928 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(OC(F)(F)F)c2)c(Cl)c1
18929 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccc2O)c(Cl)c1
18930 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccc(O)c2)c(Cl)c1
18931 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccc(O)cc2)c(Cl)c1
18932 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccccn2)c(Cl)c1
18933 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cccnc2)c(Cl)c1
18934 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2ccncc2)c(Cl)c1
18935 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2cncnc2)c(Cl)c1
18936 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)-c2nccs2)c(Cl)c1
18937 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C2CCCCC2)c(Cl)c1
18938 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3)c2)c(Br)c1
18939 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3C(F)(F)F)c2)c(Br)c1
18940 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(c3)C(F)(F)F)c2)c(Br)c1
18941 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccc(cc3)C(F)(F)F)c2)c(Br)c1
18942 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(c3)-c3ccccc3)c2)c(Br)c1
18943 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccccc3O)c2)c(Br)c1
18944 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3cccc(O)c3)c2)c(Br)c1
18945 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(Oc3ccc(O)cc3)c2)c(Br)c1
18946 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)Nc2ccccc2)c(Br)c1
18947 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCc2ccccc2)c(Br)c1
18948 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCCc2ccccc2)c(Br)c1
18949 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCCCc2ccccc2)c(Br)c1
18950 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCCCCc2ccccc2)c(Br)c1
18951 COc1ccc(CCNC(=O)c2cc(Oc3c(Br)cc(CC(O)=O)cc3Br)ccc2O)cc1
18952 COc1cccc(CCNC(=O)c2cc(Oc3c(Br)cc(CC(O)=O)cc3Br)ccc2O)c1
18953 COc1ccccc1CCNC(=O)c1cc(Oc2c(Br)cc(CC(O)=O)cc2Br)ccc1O
18954 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCC(c2ccccc2)c2ccccc2)c(Br)c1
18955 OC(=O)Cc1cc(Br)c(Oc2ccc(O)c(c2)C(=O)NCCc2ccccn2)c(Br)c1
18956 OC(=O)Cc1cc(Cl)c(Oc2ccc(O)c(c2)C(=O)NCCc2ccccc2)c(Cl)c1
18957 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
18958 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1
18959 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN)c(I)c1
18960 CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)c(I)c1
18961 CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCN(CC)CC)cc1
18962 CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
18963 CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1
18964 CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1
18965 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(CN)c1
18966 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(N)c1
18967 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1N
18968 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(N)cc1
18969 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(CCCCN)n1
18970 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)C1CCCNC1
18971 COc1ccc(cc1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
18972 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(N)=O
18973 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(Cl)c1
18974 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccccc1
18975 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C#N
18976 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)S(C)=N
18977 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)S(N)(=O)=O
18978 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2onc(N)c2c1
18979 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2[nH]nc(N)c2c1
18980 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)B(O)O
18981 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2c(N)n[nH]c2c1
18982 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccnc(N)c2c1
18983 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2nc(N)nc(N)c2c1
18984 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ncnc(N)c2c1
18985 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cccc(c1)C(=N)NO
18986 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccncc2c1
18987 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc(N)nc1
18988 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)S(C)(=O)=O |r|
18989 CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r|
18990 COc1ccc(cc1)-n1nc(C(O)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18991 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18992 CNC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r|
18993 COc1ccc(cc1)-n1nc(C(=O)N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18994 COc1ccc(cc1)-n1nc(C#N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18995 COc1ccc(cc1)-n1nc(NC(=O)OC(C)(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18996 COc1ccc(cc1)-n1nc(N)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18997 COc1ccc(cc1)-n1nc(N(C)C(=O)OC(C)(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
18998 CNc1nn(c2c1CCN(C2=O)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1ccc(OC)cc1 |r|
18999 COc1ccc(cc1)-n1nc(N(C)C)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
19000 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnnn1C |r|
19001 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)-c1nnn[nH]1 |r|
19002 COc1ccc(cc1)-n1nc(Cn2ccnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
19003 COc1ccc(cc1)-n1nc(Cn2nccn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
19004 COc1ccc(cc1)-n1nc(Cn2cncn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
19005 COc1ccc(cc1)-n1nc(Cn2cnnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
19006 COc1ccc(cc1)-n1nc(Cn2ncnn2)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1 |r|
19007 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN
19008 CNCc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
19009 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(C)C
19010 CCN(CC)Cc1ccccc1-c1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
19011 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCCC1
19012 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCC(O)CC1
19013 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN(CCO)CCO
19014 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(N)cc1)C(F)(F)F
19015 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(NC(C)=O)cc1)C(F)(F)F
19016 CNc1ccc(cc1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(F)(F)F
19017 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O)C(F)(F)F
19018 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C)C(F)(F)F
19019 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1)C(F)(F)F
19020 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)C(F)(F)F
19021 COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCCC1=O)C(F)(F)F
19022 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N(C)C(C)=O
19023 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O
19024 CS(=O)(=O)c1ccccc1C1=CCC(CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |t:11|
19025 CS(=O)(=O)c1ccccc1[C@H]1CC[C@@H](CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |r,wU:13.17,wD:10.10,(6.57,7.3,;6.57,5.76,;5.03,5.76,;8.11,5.76,;6.57,4.22,;7.9,3.45,;7.9,1.91,;6.57,1.14,;5.24,1.91,;5.24,3.45,;3.9,4.22,;3.9,5.76,;2.57,6.53,;1.24,5.76,;1.24,4.22,;2.57,3.45,;-.23,6.23,;-1.37,5.2,;-1.05,3.69,;-2.84,5.68,;-3.31,7.14,;-4.85,7.14,;-5.33,5.68,;-4.08,4.77,;-4.08,3.23,;-2.75,2.46,;-2.75,.92,;-4.08,.15,;-5.42,.92,;-6.75,.15,;-8.08,.92,;-5.42,2.46,;-5.76,8.39,;-6.53,9.72,;-4.47,9.23,;-7.05,7.55,)|
19026 CS(=O)(=O)c1ccccc1[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F |r,wU:13.17,10.10,(6.57,7.3,;6.57,5.76,;5.03,5.76,;8.11,5.76,;6.57,4.22,;7.9,3.45,;7.9,1.91,;6.57,1.14,;5.24,1.91,;5.24,3.45,;3.9,4.22,;3.9,5.76,;2.57,6.53,;1.24,5.76,;1.24,4.22,;2.57,3.45,;-.23,6.23,;-1.37,5.2,;-1.05,3.69,;-2.84,5.68,;-3.31,7.14,;-4.85,7.14,;-5.33,5.68,;-4.08,4.77,;-4.08,3.23,;-2.75,2.46,;-2.75,.92,;-4.08,.15,;-5.42,.92,;-6.75,.15,;-8.08,.92,;-5.42,2.46,;-5.76,8.39,;-6.53,9.72,;-4.47,9.23,;-7.05,7.55,)|
19027 CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1cccc(CN)c1)C(F)(F)F
19028 CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccccc1CN)C(F)(F)F
19029 CS(=O)(=O)c1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F
19030 CS(=O)(=O)c1ccccc1N1CCC(CC1=O)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F
19031 COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1S(C)(=O)=O)C(F)(F)F
19032 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCCC1)C(F)(F)F
19033 Nc1noc2ccc(cc12)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCC[C@H]1O)C(F)(F)F |r|
19034 CNCc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F
19035 CCN(C)Cc1ccccc1N1CCC(CC1)NC(=O)c1cc(nn1-c1ccc2onc(N)c2c1)C(F)(F)F
19036 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3S(C)(=O)=O)C(=O)c12
19037 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)C)C(=O)c12
19038 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCCC3)C(=O)c12
19039 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCOCC3)C(=O)c12
19040 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCC[C@@H]3O)C(=O)c12 |r|
19041 CNCc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
19042 CCN(CC)Cc1ccccc1N1CCC(CC1)N1CCc2c(nn(c2C1=O)-c1ccc(OC)cc1)C(N)=O
19043 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)C(C)=O)C(=O)c12
19044 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN(C)S(C)(=O)=O)C(=O)c12
19045 COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3S(N)(=O)=O)C(=O)c12
19046 COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN(C)C)C(F)(F)F
19047 COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCCC1)C(F)(F)F
19048 COc1ccc(cc1)-n1nc(cc1C(=O)NC1CCN(CC1)c1ccccc1CN1CCOCC1)C(F)(F)F
19049 OC(=O)[C@H](CNC(=O)c1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19050 OC(=O)[C@H](CNC(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19051 OC(=O)[C@H](CNS(=O)(=O)CCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19052 OC(=O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19053 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19054 CCCNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r|
19055 CC(C)(C)NC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r|
19056 OC(=O)[C@H](CNC(=O)Nc1ccccc1)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19057 Nc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
19058 OC(=O)[C@H](CNC(=O)NCc1ccccc1Cl)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1 |r|
19059 COc1ccccc1CNC(=O)NC[C@H](NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(O)=O |r|
19060 COc1cccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)c1 |r|
19061 COc1ccc(CNC(=O)NC[C@H](NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
19062 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 |r|
19063 Cc1cc(C)cc(c1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r|
19064 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
19065 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)cc(F)c1 |r|
19066 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r|
19067 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl |r|
19068 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 |r|
19069 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
19070 Cc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r|
19071 CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r|
19072 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|
19073 Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r|
19074 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(O)=O |r|
19075 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
19076 OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 |r|
19077 Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CCCCNC(=O)\C=C\c2cccnc2)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC2(CCCCC2)C(N)=O)cc1 |r|
19078 NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)c1cccc(Nc2nc3ccccc3[nH]2)c1 |r|
19079 CC(C(=O)N[C@@H](CCCCNC(=O)\C=C\c1cccnc1)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC1(CCCCC1)C(N)=O)c1ccc(Nc2nc3ccccc3[nH]2)cc1 |r|
19080 NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCCCNC(=O)C=Cc1cccnc1)NC(=O)Cc1ccc(Nc2nc3ccc(Br)cc3[nH]2)cc1 |r,w:30.30|
19081 NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)Cc1ccc(Nc2nc3ccccc3[nH]2)cc1 |r|
19082 NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)CCc1ccc(Nc2nc3ccccc3[nH]2)cc1 |r|
19083 NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)c1ccc(Nc2nc3ccccc3[nH]2)cc1 |r|
19084 Cc1cccc2[nH]c(Nc3ccc(cc3)C(=O)N[C@@H](CCCCNC(=O)C=Cc3cccnc3)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC3(CCCCC3)C(N)=O)nc12 |r,w:26.26|
19085 Cc1cccc2[nH]c(Nc3ccc(CC(=O)N[C@@H](CCCCNC(=O)C=Cc4cccnc4)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC4(CCCCC4)C(N)=O)cc3)nc12 |r,w:25.24|
19086 Cc1ccccc1Nc1nc2ccc(cc2[nH]1)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccnc1)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC1(CCCCC1)C(N)=O |r,w:28.30|
19087 COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
19088 COc1cc2ncc3cnc4ccccc4c3c2cc1OC
19089 COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC
19090 COc1cc2ncc3c(N)nc4c(C)cccc4c3c2cc1OC
19091 COc1cc2ncc3c(N)nc4c(C)c(O)ccc4c3c2cc1OC
19092 COc1cc2ncc3c(N)nc4c(C)c(Cl)ccc4c3c2cc1OC
19093 CCOc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OCC
19094 COc1cc2c(cc1F)ncc1c(N)nc3c(C)c(N)ccc3c21
19095 COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
19096 COc1cc2c(cc1NCCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
19097 COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
19098 COc1cc2c(cc1OCCN1CCOCC1)ncc1c(N)nc3c(C)c(N)ccc3c21
19099 COc1cc2c(cc1OCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
19100 COc1cc2c(cc1OCCC(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
19101 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
19102 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CO |r|
19103 [H][C@@]12CC3=CC[C@H](NC(=O)C(C)C)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
19104 [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
19105 [H][C@@]12CC3=CC[C@H](NC(=O)C(C)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
19106 [H][C@@]12CC3=CC[C@H](NC(=O)C(CC)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
19107 [H][C@@]12CC3=CC[C@@H]4N=C(C)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7|
19108 [H][C@@]12CC3=CC[C@@H]4N=C(CC)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7|
19109 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)(C)C |r,c:7,t:3|
19110 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3|
19111 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)CC |r,c:7,t:3|
19112 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(CC)CC |r,c:7,t:3|
19113 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)c1ccccc1 |r,c:7,t:3|
19114 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C1CCCCC1 |r,c:7,t:3|
19115 [H][C@@]12CC3=CC[C@@H]4N=C(Cc5ccccc5)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7|
19116 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N[C@@H](OC[C@@]31C)C(C)C |r|
19117 [H][C@@]12CC3=CC[C@@H]4N[C@@H](OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,t:3|
19118 [H][C@@]12CC[C@]3([H])C(=C[C@@H]1CC[C@@H]1N=C(OC[C@@]21C)C(C)C)C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]31C |r,wU:11.12,24.27,26.29,16.19,4.4,wD:35.40,27.30,32.35,8.9,1.0,c:6,13,(-2.23,3.97,;-2.23,5.51,;-.9,4.74,;.43,5.51,;.43,7.05,;1.47,5.9,;-.9,7.82,;-2.23,8.59,;-2.23,7.05,;-3.57,7.82,;-4.9,7.05,;-4.9,5.51,;-6.23,4.74,;-6.23,3.2,;-4.9,2.43,;-3.57,3.2,;-3.57,4.74,;-4.9,3.97,;-7.57,2.43,;-8.9,3.2,;-7.57,.89,;-.9,9.36,;-2.23,10.13,;.43,10.13,;1.77,9.36,;1.77,10.9,;3.23,9.83,;4,11.17,;3.23,12.5,;5.54,11.17,;6.31,9.83,;6.31,12.5,;4.14,8.59,;5.63,8.19,;3.23,7.34,;1.77,7.82,;2.17,6.33,)|
19119 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(C)=O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
19120 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(=O)C(C)(C)C)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
19121 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CO |r|
19122 [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)NC)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3|
19123 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CN |r|
19124 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)[C@@H](C)CC)[C@@]3(C)CN |r|
19125 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)C(C)C |r,c:32|
19126 [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)[C@@H](C)CC |r,c:32|
19127 [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(\C=N\Cc4ccccc4)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
19128 [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(CN)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3|
19129 [H][C@@]12CC3=CC[C@@H]4N=C(NC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3|
19130 CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1|
19131 SCCCCCCC(=O)Nc1nc(cs1)-c1ccccc1
19132 CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cccc(c1)-c1ccccc1 |r|
19133 CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)Nc1cnc2ccccc2c1 |r|
19134 CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19135 CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCC1 |r|
19136 CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCCCC1 |r|
19137 CC(C)(C)NC(=O)[C@H](CCCCCS)NC(=O)OC(C)(C)C |r|
19138 CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:26:20.19.25,25:20:27:24.26.23,25:24:27:20.19.21,THB:21:20:26:22.27.23|
19139 N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19140 SCCCCC[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCC1 |r|
19141 SCCCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCC1 |r|
19142 OCC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19143 CC(C)(C)C(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19144 CC(C)(C)NC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19145 CC(C)(C)NC(=S)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19146 COC(=O)N[C@@H](CCCCCS)C(=O)NC1CCCC1 |r|
19147 SCCCCC[C@H](NC(=O)OC1CCCCC1)C(=O)NC1CCCC1 |r|
19148 SCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1 |r|
19149 ONC(=O)CCCCCCC(=O)Nc1ccccc1
19150 [#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-c1ccc2c(-[#6])cc(=O)oc2c1
19151 C\C=C1/NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C |r,t:12|
19152 CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)CNC1=O |r,t:13|
19153 CC(C)[C@H]1NC(=O)C[C@@H]2OC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26|
19154 CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCS |r|
19155 CC(C)[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](OC(=O)CNC1=O)\C=C\CCSC(C)=O |r|
19156 CC1(C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
19157 CC1(C)NC(=O)[C@H](CCCCCC2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
19158 CC1(C)NC(=O)[C@H](CCCCCC(=O)CBr)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
19159 CC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC1=O |r|
19160 CC1(C)NC(=O)[C@H](CCCCCC(O)CO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
19161 CC1(C)NC(=O)[C@H](CCCCCC=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
19162 CC1(C)NC(=O)[C@H](CCCCCC(=O)CO)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
19163 Cc1cc2C(=O)c3ccccc3-c2nn1
19164 O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
19165 C1c2ccccc2-c2nnc(cc12)-c1ccccc1
19166 c1ccc(cc1)-c1cc2[nH]c3ccccc3c2nn1
19167 O=C1c2ccccc2-c2nnc(COc3ccccc3)cc12
19168 Fc1ccc(OCc2cc3C(=O)c4ccccc4-c3nn2)cc1
19169 FC(F)(F)c1ccc(OCc2cc3C(=O)c4ccccc4-c3nn2)cc1
19170 O=C1c2ccccc2-c2nnc(OCc3ccccc3)cc12
19171 O=C1c2ccccc2-c2nncc(c12)-c1ccccc1
19172 Clc1ccc(cc1)-c1cnnc2-c3ccccc3C(=O)c12
19173 O=C1c2ccccc2-c2nn(-c3ccccc3)c(=O)cc12
19174 Cc1ncc2-c3ccccc3C(=O)c2n1
19175 O=C1c2ccccc2-c2cnc(nc12)-c1ccccc1
19176 c1c2ccccc2c2c[nH]c(nc12)-c1ccccc1
19177 [O-][N+](=O)c1cccc(c1)-c1ncc2-c3ccccc3C(=O)c2n1
19178 O=C1c2ccccc2-c2nc(ncc12)-c1ccccc1
19179 C1c2ccccc2-c2nc(ncc12)-c1ccccc1
19180 O=C1c2ccccc2-c2ncnc(c12)-c1ccccc1
19181 O=C1c2ccccc2-c2nc(nnc12)-c1ccccc1
19182 Nc1cccc(c1)-c1nnc2C(=O)c3ccccc3-c2n1
19183 [O-][N+](=O)c1cccc(c1)-c1nnc2C(=O)c3ccccc3-c2n1
19184 [O-][N+](=O)c1cccc(c1)-c1nnc2-c3ccccc3C(=O)c2n1
19185 c1ccc2c(c1)[nH]c1c2nnc2ccccc12
19186 C1Cc2ccccc2-c2[nH]c3ccccc3c12
19187 [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r|
19188 CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
19189 Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1
19190 [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
19191 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccccc1 |r,t:5|
19192 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
19193 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccccc1F |r,t:5|
19194 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cccc(O)c1 |r,t:5|
19195 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(O)cc1 |r,t:5|
19196 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(Cl)cc1 |r,t:5|
19197 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)c(OC)c1 |r,t:5|
19198 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)c(C)c1 |r,t:5|
19199 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
19200 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 |r,t:5|
19201 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|
19202 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
19203 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](C)O |r,t:5|
19204 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)C(C)(C)O |r,t:5|
19205 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)C(C)(C)C |r,t:5|
19206 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CC=C |r,t:5|
19207 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CCC=C |r,t:5|
19208 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CCC1CC1 |r,t:5|
19209 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccccc1 |r,t:5|
19210 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(F)cc1 |r,t:5|
19211 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(C)cc1 |r,t:5|
19212 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(cc1)C(C)(C)C |r,t:5|
19213 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)Cc1ccc(OC)cc1 |r,t:5|
19214 [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
19215 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:4|
19216 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 |r,t:4|
19217 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccsc1 |r,t:5|
19218 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccsc1 |r,t:4|
19219 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccsc1 |r,t:4|
19220 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc2ccccc2s1 |r,t:5|
19221 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc2ccccc2s1 |r,t:4|
19222 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1cc2ccccc2s1 |r,t:4|
19223 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:5|
19224 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:5|
19225 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1csc2ccccc12 |r,t:4|
19226 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1csc2ccccc12 |r,t:4|
19227 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc2ccccc2c1 |r,t:4|
19228 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccc2ccccc2c1 |r,t:4|
19229 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cccc2ccccc12 |r,t:4|
19230 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1cccc2ccccc12 |r,t:4|
19231 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1coc2ccccc12 |r,t:4|
19232 [H][C@@]1(CCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1coc2ccccc12 |r,t:4|
19233 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20|
19234 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1
19235 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
19236 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Br)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
19237 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1
19238 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
19239 C[C@@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19240 C[C@](O)(COc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
19241 C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19242 C[C@](O)(COc1ccc(N=C=S)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
19243 C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19244 C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
19245 C[C@](O)(COc1ccc(cc1F)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19246 C[C@](O)(COc1ccc(cc1Cl)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19247 CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
19248 C[C@](O)(CNc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19249 CN(C[C@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)c1ccc(cc1)N=C=S |r|
19250 C[C@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19251 C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
19252 COc1cc2c(cc1NCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c21
19253 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
19254 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
19255 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(I)nc23)[C@@H](O)[C@H]1O |r|
19256 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(nc23)-c2ccccc2)[C@@H](O)[C@H]1O |r|
19257 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(N)nc23)[C@@H](O)[C@H]1O |r|
19258 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(Nc4ccccc4)nc23)[C@@H](O)[C@H]1O |r|
19259 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(NCc4ccccc4)nc23)[C@@H](O)[C@H]1O |r|
19260 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(NCCc4ccccc4)nc23)[C@@H](O)[C@H]1O |r|
19261 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(nc23)C#C)[C@@H](O)[C@H]1O |r|
19262 NC(=O)c1csc(n1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)nc(C=C)nc23)[C@@H](O)[C@H]1O |r|
19263 CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)c4nc(cs4)C(N)=O)[C@@H](O)[C@H]3O)c2n1 |r|
19264 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
19265 COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
19266 COc1c(C)c2COC(=O)c2c(O)c1CCOP(O)(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r|
19267 CCc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(=O)OCCc4c(O)c5C(=O)OCc5c(C)c4OC)[C@@H](O)[C@H]3O)c2n1 |r|
19268 CCOC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O
19269 CC(C)(C)NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O
19270 CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccc1
19271 O=C(NCc1ccccc1)c1ccc2c(c1)[nH]c1ccccc1c2=O
19272 [H][C@](C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccc1 |r|
19273 [H][C@@](C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccc1 |r|
19274 CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccccn1
19275 CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1cccnc1
19276 CC(C)(NC(=O)c1ccc2c(c1)[nH]c1ccccc1c2=O)c1ccncc1
19277 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccc1
19278 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccccn1
19279 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccnc1
19280 CN(C)CCOc1ccc(cc1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19281 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(cc1)S(C)(=O)=O
19282 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cccc(c1)S(C)(=O)=O
19283 CN(C)S(=O)(=O)c1ccc(cc1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19284 CN(C)S(=O)(=O)c1cccc(c1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19285 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1cnc2NCCOc2c1
19286 Cc1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19287 CN(C)c1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19288 CN(C)c1cc(ccn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19289 CCN1CCN(CC1)c1ccc(cn1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19290 CC(C)(NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F)c1ccc(nc1)N1CCOCC1
19291 COc1cc(cnc1N1CCOCC1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19292 Cc1cc(cnc1N1CCOCC1)C(C)(C)NC(=O)c1cc2[nH]c3ccccc3c(=O)c2cc1F
19293 CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 |r|
19294 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r|
19295 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 |r|
19296 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 |r|
19297 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 |r|
19298 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)c(OC)c1 |r|
19299 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN)cc1 |r|
19300 NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1 |r|
19301 COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN |r,wU:23.38,(4.36,-2.45,;2.85,-2.19,;2.31,-.75,;.8,-.48,;.27,.96,;1.25,2.14,;2.77,1.88,;3.76,3.06,;5.3,3.06,;3.3,.44,;.85,3.63,;2.12,4.51,;3.57,4,;4.74,5.01,;4.74,6.55,;3.4,7.32,;3.4,8.86,;4.74,9.63,;6.07,8.86,;6.07,7.32,;1.67,5.98,;.13,6.02,;-.37,4.56,;-1.71,3.79,;-2.48,2.46,;-2.48,.92,;-1.01,.45,;-1.01,-1.09,;-2.47,-1.57,;-3.1,-2.98,;-4.63,-3.15,;-5.53,-1.9,;-4.91,-.49,;-3.38,-.33,;-3.04,4.56,;-4.38,3.79,;-4.38,2.25,;-5.71,4.56,;-7.04,3.79,)|
19302 CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN |r|
19303 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NCCN)c(OC)c1 |r|
19304 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)N)cc1 |r|
19305 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)N)cc1 |r|
19306 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCN)cc1 |r|
19307 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)Cc2ccccc2)cc1 |r|
19308 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r|
19309 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2)cc1 |r|
19310 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r|
19311 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2)cc1 |r|
19312 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 |r|
19313 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 |r|
19314 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)cc1 |r|
19315 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)[C@@H]1CCCN1 |r|
19316 CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1 |r|
19317 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 |r|
19318 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCNC2)c(OC)c1 |r|
19319 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1 |r|
19320 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccccn1)C1CCCNC1 |r|
19321 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r|
19322 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r|
19323 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCNC2)cc1 |r|
19324 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCNC2)cc1 |r|
19325 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCN2)c(OC)c1 |r|
19326 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCCN2)cc1 |r|
19327 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 |r|
19328 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 |r|
19329 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)c(OC)c1 |r|
19330 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCCN2)cc1 |r|
19331 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
19332 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
19333 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 |r|
19334 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 |r|
19335 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCNCC1 |r|
19336 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)C1CCNCC1 |r|
19337 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)C1CCNCC1 |r|
19338 CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 |r|
19339 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
19340 COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCNCC1 |r,wU:23.38,(4.57,-2.49,;3.09,-2.1,;2.48,-.68,;.95,-.51,;.33,.91,;1.25,2.14,;2.78,1.97,;3.7,3.2,;5.24,3.2,;3.39,.55,;.85,3.63,;2.12,4.51,;3.57,4,;4.74,5.01,;4.74,6.55,;3.4,7.32,;3.4,8.86,;4.74,9.63,;6.07,8.86,;6.07,7.32,;1.67,5.98,;.13,6.02,;-.37,4.56,;-1.71,3.79,;-2.48,2.46,;-2.48,.92,;-1,.49,;-.95,-1.05,;-2.41,-1.57,;-2.99,-3,;-4.52,-3.2,;-5.46,-1.98,;-4.87,-.56,;-3.35,-.35,;-3.04,4.56,;-4.38,3.79,;-4.38,2.25,;-5.71,4.56,;-7.04,3.79,;-8.38,4.56,;-8.38,6.1,;-7.04,6.87,;-5.71,6.1,)|
19341 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccn1)C1CCNCC1 |r|
19342 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccs1)C1CCNCC1 |r|
19343 O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccco1)C1CCNCC1 |r|
19344 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CNCCN2)cc1 |r|
19345 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CNCCN2)cc1 |r|
19346 COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CNCCN2)c(OC)c1 |r|
19347 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CNCCN2)c(OC)c1 |r|
19348 CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CNCCN2)cc1 |r|
19349 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCOCC2)cc1 |r|
19350 COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc1 |r|
19351 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)cc1
19352 CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)cnc2c1
19353 CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c(nc2c1)C1CCCC1
19354 CCc1nc(N)nc(N)c1-c1ccc2n(Cc3ccc(cc3)S(C)(=O)=O)c(nc2c1)-c1ccccc1
19355 CC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19356 CCC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19357 CC(C)CC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19358 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CC2)cc1
19359 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CCCC2)cc1
19360 CN(C(=O)C1CCCC1)c1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19361 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)c2ccncc2)cc1
19362 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2cccnc2)cc1
19363 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)c2ccsc2)cc1
19364 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccsc2)cc1
19365 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccsc2Br)cc1
19366 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Cc2ccccc2)cc1
19367 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)CCc2ccccc2)cc1
19368 CC(C)NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19369 CC(C)N(C)C(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19370 CC(C)(C)NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19371 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)Nc2ccccc2)cc1
19372 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)NCc2ccccc2)cc1
19373 CC(NC(=O)Nc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1)c1ccccc1
19374 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)NCCc2ccccc2)cc1
19375 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NC(=O)C2CCCO2)cc1
19376 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(Cl)cc2)cc1
19377 CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(c(F)c2)S(C)(=O)=O)cc1
19378 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
19379 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(C)=O)cc1
19380 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C(C)O)cc1
19381 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)C#N)cc1
19382 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1
19383 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccnc(Cl)c2)cc1
19384 CCc1nc(N)nc(N)c1-c1ccc(NCc2csc(Cl)c2)cc1
19385 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)cc2)cc1
19386 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)[N+]([O-])=O)cc1
19387 CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
19388 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)S(=O)(=O)C(F)(F)F)cc1
19389 CC(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
19390 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccnc(Cl)c2)cc1
19391 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C#N)cc1
19392 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(cc2)C(F)(F)F)cc1
19393 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2csc(Cl)c2)cc1
19394 COc1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
19395 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccncc2)cc1
19396 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)s2)cc1
19397 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2ccccc2)cc1
19398 CC(C)(C)CNc1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
19399 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(NCc2cnc3ccccc3c2)cc1
19400 Nc1nc(N)c(c(CCc2ccccc2)n1)-c1ccc(NCc2ccc(Cl)cc2)cc1
19401 CS(=O)(=O)c1ccc(COc2ccc(cc2)-c2c(N)nc(N)nc2COCc2ccccc2)cc1
19402 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(OCc2ccc(cc2)C#N)cc1
19403 Nc1nc(N)c(c(COCc2ccccc2)n1)-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
19404 CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(cc2)[N+]([O-])=O)cc1
19405 CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(cc2)S(C)(=O)=O)cc1
19406 CCc1nc(N)nc(N)c1-c1ccc(CNc2ccc(Cl)cc2)cc1
19407 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Cl)c1
19408 CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(cc2)S(C)(=O)=O)c(Br)c1
19409 CCc1nc(N)nc(N)c1-c1ccc(cc1)N(C)Cc1ccc(cc1)S(C)(=O)=O
19410 Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
19411 CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
19412 Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1
19413 COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC
19414 COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)cc1OC
19415 COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cc1OC
19416 COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC
19417 COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC
19418 COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cc3ccccc3s2)cc1OC
19419 COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccc(cc2N)-c2cccs2)cc1OC
19420 COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2O)cc1OC
19421 COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2O)-c2cccs2)cc1OC
19422 CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
19423 CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
19424 Nc1ccccc1NC(=O)c1ccc2nccnc2c1
19425 Nc1ccc(cc1NC(=O)c1ccc2nccnc2c1)-c1cccs1
19426 COc1ccc(cc1)C(=O)Nc1ccccc1N
19427 COc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
19428 OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1
19429 Fc1ccc(cc1)-c1n[nH]cc1-c1ccncc1
19430 CN1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19431 CC1CC(C)CN(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19432 CC1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19433 Clc1ccc(cc1)-c1n[nH]c(N2CCC3CCCCC3C2)c1-c1ccncc1 |w:14.15,19.19|
19434 Clc1ccc(cc1)-c1n[nH]c(N2CCc3ccccc3C2)c1-c1ccncc1
19435 Clc1ccc(cc1)-c1n[nH]c(N2CCCC3CCCCC23)c1-c1ccncc1 |w:19.20,15.16|
19436 OC1CCCN(C1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19437 OC1CCN(CC1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19438 Clc1ccc(cc1)-c1n[nH]c(N2CCN3CCC[C@H]3C2)c1-c1ccncc1 |r|
19439 CC1CN(CCN1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19440 CC1CN(CC(C)N1)c1[nH]nc(c1-c1ccncc1)-c1ccc(Cl)cc1
19441 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
19442 COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
19443 Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
19444 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(F)cc1
19445 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Br)cc1
19446 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccccc1
19447 CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
19448 Nc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
19449 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NC(=O)CCl)cc1
19450 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(NCCCl)cc1
19451 Oc1ccc(cc1)-c1nn2cc(O)cnc2c1-c1ccc(O)cc1
19452 Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccccc1
19453 Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccccc1)C(F)(F)F)C(F)(F)F
19454 Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F
19455 Oc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(OCCN2CCCCC2)cc1)C(F)(F)F)C(F)(F)F
19456 CN(C)CCOc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(O)cc1
19457 Oc1ccc(cc1)-c1c(nn2c(cc(nc12)C(F)(F)F)C(F)(F)F)-c1ccc(OCCN2CCCCC2)cc1
19458 CN(C)CCOc1ccc(cc1)-c1nn2c(cc(nc2c1-c1ccc(O)cc1)C(F)(F)F)C(F)(F)F
19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
19460 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
19461 Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1
19462 Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19463 CCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19464 CCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19465 CCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19466 CCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19467 CCCCCCCCCCCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19468 CC(C)CCc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19469 CC(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19470 CC(C)(C)Cc1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)cc1
19471 Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)c(Cc3ccccc3)c2O1
19472 OC(=O)C=O
19473 CC(=O)C(O)=O
19474 Clc1ccc(cc1)-n1ccnc1
19475 Clc1ccc(cc1)-c1c[nH]cn1
19476 Cc1cc(Cl)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
19477 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OCCCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O |r|
19478 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O |r|
19479 CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C |r|
19481 CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C(C)C |r|
19482 CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C1CCCCC1 |r|
19483 CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CCCCC1 |r|
19484 CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CC[C@H](C)CC1 |r,wU:12.13,25.27,wD:12.14,4.6,(2.85,-4.57,;1.52,-3.8,;1.52,-2.26,;.18,-1.49,;.18,.05,;1.52,.82,;2.85,1.59,;-1.15,.82,;-2.59,.29,;-3.55,1.49,;-2.7,2.78,;-1.22,2.36,;-5.09,1.49,;-6.42,.72,;-5.09,3.03,;-6.42,3.8,;-6.42,5.34,;-7.76,3.03,;-9,3.94,;-10.25,3.03,;-9.77,1.57,;-8.23,1.57,;-4.69,.01,;-5.66,-1.19,;-5.12,-2.63,;-3.6,-2.87,;-3.05,-4.31,;-2.62,-1.68,;-3.17,-.24,)|
19486 Fc1ccc(c(F)c1F)-c1ccccc1OCC=O
19487 CCCc1ccc(c(F)c1F)-c1ccccc1OCC=O
19488 CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O
19489 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
19491 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19492 CS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19493 CSC[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19494 CS(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19495 CS(=O)(=O)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19496 CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19497 CS(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19498 CS(=O)(=O)C[C@H](N[C@@H](c1cccc(F)c1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19499 CS(=O)(=O)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19500 CC(C)CS(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19501 FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
19502 Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
19503 Fc1ccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)cc1 |r|
19504 Fc1cccc(CS(=O)(=O)C[C@H](N[C@@H](c2ccccc2)C(F)(F)F)C(=O)NC2(CC2)C#N)c1F |r|
19505 Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1cccc(F)c1F)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
19506 Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1c(Cl)cccc1Cl)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
19507 Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)Cc1ccccc1-c1ccccc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
19508 CC(C)(c1ccc(F)cc1)S(=O)(=O)C[C@H](N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
19509 Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
19510 FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
19511 FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1cccc(Br)c1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
19512 FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nccs1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
19513 FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1nc2ccccc2s1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
19514 FC(F)(F)[C@@H](N[C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N)c1ccccc1 |r|
19515 Fc1ccc(cc1)[C@H](N[C@@H](CS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N)C(F)(F)F |r|
19516 CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
19518 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|
19519 CC(C)C[C@H](NCC(F)(F)F)C(=O)NCC#N |r|
19520 CCCC[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|
19521 CC(C)C[C@H](N[C@@H](c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|
19522 CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N |r|
19523 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|
19524 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccccc1F)C(F)(F)F)C(=O)NCC#N |r|
19525 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(F)c1)C(F)(F)F)C(=O)NCC#N |r|
19526 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)cc1)C(F)(F)F)C(=O)NCC#N |r|
19527 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(F)c(F)c1)C(F)(F)F)C(=O)NCC#N |r|
19528 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cc(F)cc(F)c1)C(F)(F)F)C(=O)NCC#N |r|
19529 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(C)cc1)C(F)(F)F)C(=O)NCC#N |r|
19530 COc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|
19531 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C#N)C(F)(F)F)C(=O)NCC#N |r|
19532 CSc1ccc(cc1)-c1ccc(cc1)[C@H](N[C@@H](CC(C)C)C(=O)NCC#N)C(F)(F)F |r|
19533 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
19534 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
19535 CC(C)C[C@H](N[C@@H](c1ccc(Oc2ccccc2)cc1)C(F)(F)F)C(=O)NCC#N |r|
19536 CC(C)C[C@H](N[C@@H](c1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F)C(=O)NCC#N |r|
19537 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r|
19538 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccsc1)C(F)(F)F)C(=O)NCC#N |r|
19539 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nccs1)C(F)(F)F)C(=O)NCC#N |r|
19540 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1nc(C)no1)C(F)(F)F)C(=O)NCC#N |r|
19541 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ncccn1)C(F)(F)F)C(=O)NCC#N |r|
19542 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1cccc2[nH]cnc12)C(F)(F)F)C(=O)NCC#N |r|
19543 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F)C(=O)NCC#N |r|
19544 CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)-c1ccncc1)C(F)(F)F)C(=O)NCC#N |r|
19545 COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|
19547 COc1ccc(NCCNC(=O)[C@H](CC(C)(C)C)NC(=O)c2cccc(C)c2)cc1 |r|
19548 COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C2CCCCC2)cc1 |r|
19549 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(C)c2)cc1 |r|
19550 COc1ccc(NCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)c2cccc(C)c2)cc1 |r|
19551 COc1ccc(NCCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)c2ccccc2)cc1 |r|
19552 COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C)c2)cc1 |r|
19553 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)c2cccc(C)c2)cc1 |r|
19554 COc1ccc(NCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)c2cccc(C)c2)cc1 |r|
19555 COc1ccc(NCCNC(=O)[C@H](Cc2ccccc2Cl)NC(=O)c2cccc(C)c2)cc1 |r|
19556 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(C)cc2)NC(=O)c2cccc(C)c2)cc1 |r|
19557 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)c2cccc(C)c2)cc1 |r|
19558 COc1ccc(C[C@H](NC(=O)c2cccc(C)c2)C(=O)NCCNc2ccc(OC)cc2)cc1 |r|
19559 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(NC(C)=O)cc2)NC(=O)c2cccc(C)c2)cc1 |r|
19560 COc1ccc(NCCNC(=O)[C@H](Cc2cccnc2)NC(=O)c2cccc(C)c2)cc1 |r|
19561 COc1ccc(NCCNC(=O)[C@H](Cc2ccncc2)NC(=O)c2cccc(C)c2)cc1 |r|
19562 COc1ccc(NCCNC(=O)[C@H](Cc2ccco2)NC(=O)c2cccc(C)c2)cc1 |r|
19563 COc1ccc(NCCNC(=O)[C@H](Cc2cncs2)NC(=O)c2cccc(C)c2)cc1 |r|
19564 COc1ccc(NCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)c2cccc(C)c2)cc1 |r|
19565 COc1ccc(NCCNC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)c2cccc(C)c2)cc1 |r|
19566 COc1ccc(NCCNC(=O)[C@H](Cc2ccc(cc2)-c2ccccc2)NC(=O)c2cccc(C)c2)cc1 |r|
19567 COc1ccc(NCCNC(=O)[C@H](Cc2c(F)c(F)c(F)c(F)c2F)NC(=O)c2cccc(C)c2)cc1 |r|
19568 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc3ccccc3c2)cc1 |r|
19569 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3cc(Cl)ccc3o2)cc1 |r|
19570 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(c2)-c2ccccc2)cc1 |r|
19571 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2ccccc2)cc1 |r|
19572 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-c2cccc(Cl)c2)cc1 |r|
19573 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cccc(Oc3ccccc3)c2)cc1 |r|
19574 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 |r|
19575 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)N2CCOCC2)cc1 |r|
19576 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(cc2)-n2cncn2)cc1 |r|
19577 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 |r|
19578 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCN(CC2)c2ncc(Br)cn2)cc1 |r|
19579 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCCN(C2)c2ncc(Br)cn2)cc1 |r|
19580 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cnn(c2C)-c2ccccc2)cc1 |r|
19581 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1 |r|
19582 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1 |r|
19585 COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C |r|
19586 COc1cc(C)c(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)c(C)c1 |r|
19587 CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r|
19588 CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(Cl)cc1 |r|
19589 CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCNc1ccc(F)cc1 |r|
19590 CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2ccccc12 |r|
19591 CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(Cl)ccc12 |r|
19592 CC(C)C[C@H](NC(=O)c1cccc(C)c1)C(=O)NCCN1CCc2cc(F)ccc12 |r|
19593 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCCN1CCc2cc(F)ccc12 |r|
19594 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)C(C)C |r|
19595 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CC(C)C)CN1CCc2cc(F)ccc12 |r|
19596 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)c1ccccc1 |r|
19597 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)Cc1ccccc1 |r|
19598 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc12 |r|
19599 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CSCc1ccccc1)CN1CCc2cc(F)ccc12 |r|
19600 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)OCc1ccccc1 |r|
19601 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CO)CN1CCc2cc(F)ccc12 |r|
19602 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCO)CN1CCc2cc(F)ccc12 |r|
19603 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)[C@@H](C)O |r|
19604 COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](CCS(C)(=O)=O)CN1CCc2cc(F)ccc12 |r|
19605 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCCN)CN1CCc2cc(F)ccc12 |r|
19606 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCN1CCOCC1)CN1CCc2cc(F)ccc12 |r|
19607 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)Cc1ccc(O)cc1 |r|
19608 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(=O)OCc1ccccc1 |r|
19609 COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(O)=O |r|
19610 COc1ccc(NC[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|
19611 COc1ccc(NC[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1 |r|
19612 COc1cccc(c1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](CN1CCc2cc(F)ccc12)CC(O)=O |r|
19613 CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cccc(OC)c1 |r|
19614 COc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 |r|
19615 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccccc3o2)cc1 |r|
19616 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cc(F)ccc3o2)cc1 |r|
19617 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccc(F)cc3o2)cc1 |r|
19618 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3ccc(Cl)cc3o2)cc1 |r|
19619 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cc(Cl)ccc3o2)cc1 |r|
19620 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r|
19621 COC(=O)c1ccc2nc(N[C@@H](CC3CCCCC3)C(=O)NCCNc3ccc(F)cc3)oc2c1 |r|
19622 COc1ccc(NC[C@H](C)NC(=O)[C@H](CC2CCCCC2)Nc2nc3cccc(Cl)c3o2)cc1 |r|
19623 C[C@@H](CNc1ccc(cc1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|
19624 C[C@@H](CNc1cccc(c1)S(C)(=O)=O)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|
19625 C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|
19626 C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|
19627 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|
19628 C[C@@H](CN1C(=O)Cc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 |r|
19629 Fc1ccc2N(CCNC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1 |r|
19630 C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 |r|
19631 Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)[C@H](CC3CCCCC3)Nc3nc4ccccc4o3)CCc2c1 |r|
19632 C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|
19633 CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|
19634 OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccccc2o1 |r|
19635 OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|
19636 CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|
19637 CC(C)(C)OC(=O)C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 |r|
19638 Fc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|
19639 Fc1ccc(NCCNC(=O)[C@@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|
19640 Fc1ccc(NCCNC(=O)C[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1 |r|
19641 Fc1ccc(NCCNC(=O)C[C@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1 |r|
19642 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|
19643 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|
19644 CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|
19645 CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|
19646 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|
19647 FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)cc1 |r|
19648 FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@H](CC2CCCCC2)CC(=O)N2CCOCC2)c2ccccc2)cc1 |r|
19649 CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|
19650 CS(=O)(=O)CC[C@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)CC(=O)N1CCOCC1 |r|
19651 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r|
19652 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r|
19653 CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)CC(=O)N1CCOCC1 |r|
19654 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCCC1)CC(=O)N1CCOCC1 |r|
19655 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC1CCCC1)CC(=O)N1CCOCC1 |r|
19656 FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CCC2CCCC2)CC(=O)N2CCOCC2)cc1 |r|
19657 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)CC(C)(C)C |r|
19658 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCC(C)(C)C)CC(=O)N1CCOCC1 |r|
19659 C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1ccccc1 |r|
19660 CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r|
19661 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCc1ccccc1)CC(=O)N1CCOCC1 |r|
19662 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CCCc1ccccc1)CC(=O)N1CCOCC1 |r|
19663 FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)cc1 |r|
19664 FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccccc2)c2ccccc2)cc1 |r|
19665 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1 |r|
19666 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(F)cc1 |r|
19667 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(Cl)cc1 |r|
19668 COc1ccc(cc1)[C@H](CC(=O)N1CCOCC1)C(=O)N[C@H](CNc1ccc(OC(F)(F)F)cc1)C(C)C |r|
19669 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(C)cc1 |r|
19670 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(cc1)C(F)(F)F |r|
19671 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1cccc(c1)C(F)(F)F |r|
19672 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccccc1C(F)(F)F |r|
19673 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](CC(=O)N1CCOCC1)c1ccc(cc1)C(F)(F)F |r|
19674 FC(F)(F)Oc1ccc(NC[C@@H](NC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)C2CC2)cc1 |r|
19675 FC(F)(F)Oc1ccc(NCCNC(=O)[C@@H](CC(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1 |r|
19676 C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19677 Fc1ccc2N(CCNC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1 |r|
19678 OC[C@@H](CN1CCc2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19679 Fc1ccc2N(C[C@H](COCc3ccccc3)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N3CCOCC3)CCc2c1 |r|
19680 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19681 CCC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19682 CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19683 FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)cc1 |r|
19684 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 |r|
19685 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC(C)(C)C)C(=O)N1CCOCC1 |r|
19686 C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19687 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19688 CC1(C)CN(C[C@@H](NC(=O)O[C@@H](CC2CCCCC2)C(=O)N2CCOCC2)C2CC2)c2ccc(F)cc12 |r|
19689 C[C@@H](CN1CC2(CC2)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 |r|
19690 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
19691 COCCN(C)C(=O)[C@H](CC1CCCCC1)OC(=O)N[C@@H](C)CN1CC(C)(C)c2cc(F)ccc12 |r|
19692 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N(C)C |r|
19693 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCC1 |r|
19694 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1 |r|
19695 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCCC1 |r|
19696 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCSCC1 |r|
19697 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCS(=O)(=O)CC1 |r|
19698 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCN(CC1)C(C)=O |r|
19699 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCN(CC1)S(C)(=O)=O |r|
19700 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)cc1 |r|
19701 Fc1cccc(c1)-c1ccc(o1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r|
19702 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2cc3ccccc3o2)cc1 |r|
19703 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccco2)cc1 |r|
19704 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)c2ccoc2)cc1 |r|
19705 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]2CCCO2)cc1 |r|
19706 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)C2CCOC2)cc1 |r|
19707 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CCCO1 |r|
19708 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CCCO1 |r|
19709 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOC1 |r|
19710 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@H]1CCOC1 |r|
19711 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)O[C@@H]1CCOC1 |r|
19712 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1 |r|
19713 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCOCC1 |r|
19714 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
19715 CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
19716 CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
19717 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](CC2CCCCC2)NC(=O)N2CCOCC2)cc1 |r|
19718 FC(F)(F)Oc1ccc(NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)N2CCOCC2)cc1 |r|
19719 CC(C)(C)C[C@H](NC(=O)N1CCOCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1 |r|
19720 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1CCOCC1 |r|
19721 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCC1)NC(=O)N1CCOCC1 |r|
19722 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CSCc1ccccc1)NC(=O)N1CCOCC1 |r|
19723 C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)N1CCOCC1 |r|
19724 C[C@@H](CN1CCc2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
19725 C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
19726 C[C@@H](CN1CC(C)(C)c2cc(F)ccc12)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1 |r|
19727 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O |r|
19728 OC(=O)C[C@H](NC(=O)[C@@H](c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O)C(=O)COc1ccccc1 |r|
19729 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:22|
19730 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,c:4|
19731 O=C(NCCc1ccccc1)c1cnc(nc1NC1CCCCC1)C#N
19732 COc1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
19733 COc1cccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)c1
19734 O=C(NCCc1ccc(cc1)N1CCCC1)c1cnc(nc1NC1CCCCC1)C#N
19735 CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NC2CCCCC2)C#N)cc1
19736 COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
19737 COc1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
19738 CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(cc1)N1CCCC1)C#N
19739 CN1CCN(CC1)c1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
19740 CN1CCN(CC1)c1cccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)c1
19741 CN1CCN(Cc2ccc(CCNC(=O)c3cnc(nc3NCC(C)(C)C)C#N)cc2)CC1
19742 CN1CCC(CC1)Oc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1
19743 CC(C)(C)CNc1nc(ncc1C(=O)NCCc1ccc(OCCn2ccnc2)cc1)C#N
19744 CC(C)(C)CNc1nc(ncc1C(=O)NCCc1cccc(OCCn2ccnc2)c1)C#N
19745 COc1ccc(CCNC(=O)c2cnc(nc2NCC(C)(C)C)C#N)cc1OCCn1ccnc1
19746 CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1
19747 N#Cc1cccc(NC2CCCCC2)n1
19748 N#Cc1ccnc(NC2CCCCC2)n1
19749 N#Cc1nccc(NC2CCCCC2)n1
19750 N#Cc1cncc(NC2CCCCC2)n1
19751 N#Cc1cccc(NC2CCCCC2)c1
19752 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(C)cc1)C#N |r|
19753 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cccc(C)c1)C#N |r|
19754 COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C#N)cc1 |r|
19755 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C#N |r|
19756 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C#N |r|
19757 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C#N |r|
19758 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COC(C)(C)C)C#N |r|
19759 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19760 CC(C)C[C@H](NC(=O)CN1CCC(CC1)c1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19761 CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19762 CC(C)C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19763 CC(C)C[C@H](NC(=O)C(C)(C)Nc1ccc(Cl)cc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19764 CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19765 CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19766 CC(C)C[C@H](NC(=O)Cc1[nH]cnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19767 CC(C)C[C@H](NC(=O)Cn1ccnc1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r|
19768 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N |r|
19769 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19770 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19771 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19772 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19773 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1[C@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19774 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19775 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19776 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19777 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|
19778 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
19779 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
19780 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
19781 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
19782 CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H](C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19783 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)Nc1ccn[nH]1 |r|
19784 CC(C)(C)[C@@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)OC(=O)NCC(=O)CNS(=O)(=O)c1ccccn1 |r|
19785 C[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19786 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19787 C[C@H](NC(=O)O[C@H](Cn1ccc(n1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19788 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19789 CCCC[C@H](NC(=O)O[C@H](Cn1cnc(c1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19790 CCCC[C@H](NC(=O)O[C@H](Cn1cc(cn1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19791 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccncc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19792 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1cccnc1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19793 C[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19794 CCCC[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc12)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |r|
19795 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNC(=O)N1CCOCC1 |r|
19796 CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNc1cccc(F)n1 |r|
19797 COCC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
19798 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1=O |r|
19799 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1=O |r|
19800 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCC1=O |r|
19801 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1=O |r|
19802 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1COCC1O |r|
19803 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCOCC1O |r|
19804 CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NC1COCC1=O |r|
19805 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(C)=O |r|
19806 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(C)=O |r|
19807 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
19808 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r|
19809 CC(C)C[C@H](N(C)C(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r|
19810 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
19811 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r|
19812 C[NH2+][C@@H](CC(C)C)C(=O)N1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1 |r|
19813 CC(C)C[C@@H](CN1CC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C(=O)C1)NC(=O)OCc1ccccc1 |r|
19814 CCCOCC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
19815 CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1CCOCC1=O |r|
19816 CC(C)C[C@H](NC(=O)c1cc2ccccc2s1)C(=O)NC1COCCC1=O |r|
19817 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1ccccc1 |r|
19818 Fc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19819 Clc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19820 Brc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19821 Ic1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19822 CSc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19823 Cc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19824 Oc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19825 COc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19826 Nc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19827 Fc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19828 Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19829 Brc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19830 Oc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19831 COc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19832 Nc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19833 Clc1cc(Cl)cc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19834 Clc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c(Cl)c1 |r|
19835 Clc1ccc(Cl)c(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
19836 Clc1cc(Cl)c(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1Cl |r|
19837 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1ncc[nH]1 |r|
19838 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1nc2ccccc2s1 |r|
19839 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1nc2ccccc2o1 |r|
19840 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1ncccn1 |r|
19841 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1nccs1 |r|
19842 O=C(NCC#N)[C@@H]1CCCC[C@H]1CSc1nnc(o1)-c1ccncc1 |r|
19843 CSc1ccc(cc1)S(=O)(=O)C[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
19844 CSc1ccc(CC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19845 CSc1ccc(\C=C/[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1 |r|
19846 CSc1ccc(cc1)-c1ccccc1[C@@H]1CCCC[C@H]1C(=O)NCC#N |r|
19847 CSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19849 CSc1ccc(cc1)-c1ccccc1[C@H]1CCC(F)(F)C[C@@H]1C(=O)NCC#N |r|
19850 Fc1ccc(cc1)-c1ccccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19851 CSc1ccc(cc1)-c1ccccc1[C@@H]1CCC(Cl)(Cl)C[C@H]1C(=O)NCC#N |r|
19852 CSc1ccc(cc1)-c1ccccc1[C@@H]1CC[C@H](F)C[C@H]1C(=O)NCC#N |r|
19853 CSc1ccc(cc1)-c1ccccc1[C@@H]1CC[C@@H](F)C[C@H]1C(=O)NCC#N |r|
19854 CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
19855 CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
19856 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1 |r|
19857 O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)-c1csc(n1)N1CCOCC1
19858 O=C(NC1(CCCCC1)C(=O)NCC#N)c1ccc(cc1)N1CCOCC1
19859 O=C(NCC#N)[C@H](CC1CCCCC1)NC(=O)c1ccccc1 |r|
19860 CN1CCN(CC1)c1nc(cs1)-c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC(F)(F)F
19861 CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r|
19862 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1
19863 CC(C)CC(C(=O)NCC#N)c1ccc(cc1)-c1ccccc1
19864 CC(C)CC(C(=O)NCC#N)c1cncc(c1)-c1ccccc1
19865 CC(C)CC(C(=O)NCC#N)c1csc(n1)-c1ccccc1
19866 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C(N)=O
19867 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)S(C)(=O)=O
19868 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1nnn[nH]1 |r|
19869 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
19870 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCOCC1
19871 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCOCC1
19872 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cncnc1
19873 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccn1
19874 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1
19875 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccncc1
19876 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)-c1ccncc1 |r|
19877 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2cc[nH]c2c1
19878 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1
19879 CC(C)C[C@H](C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1 |r|
19880 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc2[nH]ccc2c1 |r|
19881 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccc(c1)N1CCNCC1
19882 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccccc1N1CCNCC1
19883 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCNCC1
19884 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
19885 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r|
19886 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1=CCNCC1 |t:25|
19887 CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C1CCNCC1
19888 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)C12CCN(CC1)CC2 |r|
19889 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C |r|
19890 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)=O)CC1 |r|
19891 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)(C)C |r|
19892 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CCO)CC1 |r|
19893 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)O)CC1 |r|
19894 CC(C)C[C@@H](C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(CC(C)(C)N)CC1 |r|
19895 CN1CCN(CC1)c1ccc(cc1)-c1cccc(CC(=O)NCC#N)c1
19896 CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(Cc1ccccc1)C(=O)NCC#N
19897 CCCC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1
19898 CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CC1)C(=O)NCC#N
19899 CC[C@H](C)CC(C(=O)NCC#N)c1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1 |r|
19900 CN1CCN(CC1)c1ccc(cc1)-c1cccc(c1)C(CC1CCC1)C(=O)NCC#N
19901 FCSc1ccc(cc1)-c1ccncc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19902 CSc1ccc(cc1)-c1cnccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19903 CSc1ccc(cc1)-c1ncccc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19904 CSc1ccc(cc1)C1=C(C=C[N]([O-])=C1)[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r,c:11,14,t:9|
19905 CSc1ccc(cc1)-c1c(cc[nH]c1=O)[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19906 CSc1ccc(cc1)-c1c[nH]c(=O)cc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19907 CSc1ccc(cc1)-c1c(nnn1Cc1ccccc1)[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19908 CSc1ccc(cc1)-c1nc(C)sc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19909 CSc1ccc(cc1)-c1cn(C)nc1[C@@H]1CCC(F)(F)C[C@H]1C(=O)NCC#N |r|
19910 Oc1ccc(cc1)-n1cnc2cc(O)cc(O)c2c1=O
19911 COc1cc(O)c2c(c1)ncn(-c1ccc(O)cc1)c2=O
19912 Cc1cc(O)ccc1-n1cnc2cc(O)cc(O)c2c1=O
19913 Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(Cl)c1)c2=O
19914 Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(F)c1)c2=O
19915 Oc1ccc(c(F)c1)-n1cnc2cc(O)cc(O)c2c1=O
19916 Oc1ccc(c(Cl)c1)-n1cnc2cc(O)cc(O)c2c1=O
19917 Cc1cc(ccc1O)-n1cnc2cc(O)cc(O)c2c1=O
19918 COc1ccc(cc1)-n1cnc2cc(OC)cc(O)c2c1=O
19919 COc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19920 Oc1ccc(nc1)-n1cnc2cc(O)cc(O)c2c1=O
19921 Oc1cc(O)c2c(c1)ncn(-c1ccc(=O)[nH]c1)c2=O
19922 Oc1ccc(cc1)-n1cnc2c(I)c(O)cc(O)c2c1=O
19923 Oc1ccc(cc1)-n1cnc2c(I)c(O)c(I)c(O)c2c1=O
19924 Cc1c(O)cc(O)c2c1ncn(-c1ccc(O)cc1)c2=O
19925 Oc1ccc(cc1)-n1cnc2cc(O)c(I)c(O)c2c1=O
19926 CCCc1c(O)cc2ncn(-c3ccc(O)cc3)c(=O)c2c1O
19927 Oc1ccc(cc1)-n1cnc2cc(O)ccc2c1=O
19928 Oc1cccc(c1)-n1cnc2cc(O)cc(O)c2c1=O
19929 Oc1cc(O)c2c(c1)ncn(-c1ccccc1)c2=O
19930 Cc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
19931 CCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
19932 CCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
19933 CCCCc1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
19934 CC(C)c1nc2cc(O)cc(O)c2c(=O)n1-c1ccc(O)cc1
19935 COc1cc(O)c2c(c1)[nH]c(=S)n(-c1ccc(O)cc1)c2=O
19936 Oc1ccc(cc1)-n1c(=S)[nH]c2cc(O)cc(O)c2c1=O
19937 Oc1ccc(cc1)-n1c(Cl)nc2cc(O)cc(O)c2c1=O
19938 Oc1ccc(cc1)-n1c(=O)[nH]c2cc(O)cc(O)c2c1=O
19939 Cc1nc2cc(O)ccc2c(=O)n1-c1ccc(O)cc1
19940 Oc1ccc(cc1)-c1nc2cc(O)ccc2c(=O)n1-c1ccc(O)cc1
19941 CCOc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19942 Nc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19943 Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19945 Oc1ccc(cc1)-n1cnc2cc(O)cc(C#N)c2c1=O
19946 Oc1ccc(cc1)-n1cnc2cc(O)cc(OS(=O)(=O)C(F)(F)F)c2c1=O
19947 CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19948 Oc1ccc(cc1)-n1cnc2cc(O)cc(C=C)c2c1=O
19949 COC(=O)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19950 Oc1ccc(cc1)-n1cnc2cc(O)cc(-c3ccccc3)c2c1=O
19951 OCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19952 CC(=C)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12
19953 Oc1ccc(cc1)-n1cnc2cc(O)cc(O)c2c1=S
19954 Oc1cc(O)c2c(c1)ncn(-c1ccc(O)c(F)c1)c2=S
19955 Cc1cc(ccc1O)-n1cnc2cc(O)cc(O)c2c1=S
19956 Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
19957 CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=S)c12
19958 Oc1ccc(nc1)-n1cnc2cc(O)cc(O)c2c1=S
19959 CC(=O)Oc1ccc(cc1)-n1cnc2cc(OC(C)=O)cc(OC(C)=O)c2c1=S
19960 COc1ccc(cc1)-n1cnc2cc(OC)cc(OS(=O)(=O)C(F)(F)F)c2c1=S
19961 COc1ccc(cc1)-n1cnc2cc(OC)cc(O)c2c1=S
19962 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=S
19964 Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1
19965 CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1
19966 CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
19967 Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1
19968 Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
19969 Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r|
19970 Oc1ccc(cc1)[C@@H]1CCc2cc(O)ccc2O1 |r|
19972 Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCC[C@H]12 |r|
19973 Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCCC[C@H]12 |r|
19974 Oc1ccc2O[C@H]([C@H]3CCC[C@H]3c2c1)c1ccccc1 |r|
19975 Oc1cccc(c1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r|
19976 Oc1ccc(cc1)[C@@H]1Oc2ccccc2[C@@H]2CCC[C@H]12 |r|
19977 Oc1ccc(cc1)[C@@H]1Oc2cccc(O)c2[C@@H]2CCC[C@H]12 |r|
19978 Oc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2[C@@H]2CCC[C@H]12 |r|
19979 Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12 |r|
19980 Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CC(=O)CC[C@@H]12 |r|
19981 Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC(=O)C[C@@H]12 |r|
19982 Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12 |r|
19983 [H][C@@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
19984 [H][C@]1(C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1)C(F)(F)F |r|
19985 [H][C@@]1(C)C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1 |r|
19986 Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
19987 COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
19988 CCOCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
19989 OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
19990 COCc1cc(O)cc2[C@@H]3CC(F)(F)C[C@@H]3[C@@H](Oc12)c1ccc(O)cc1 |r|
19991 COCc1cc(O)cc2[C@H]3CC(F)(F)C[C@H]3[C@H](Oc12)c1ccc(O)cc1 |r|
19992 OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
19993 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
19994 FC(F)(F)c1cccc2c(-c3ccccc3)c(cnc12)C(=O)c1ccccc1
19995 OC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
19996 COC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
19997 OC(=O)c1cccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)c1
19998 OC(=O)c1ccc(COc2ccc(cc2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
19999 OC(=O)Cc1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20000 OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
20001 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
20002 OC(=O)Cc1ccc(NCc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
20003 CN(Cc1ccc(CC(O)=O)cc1)c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
20004 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20005 Cc1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
20006 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
20007 OC(c1ccccc1)c1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
20008 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)cc1
20009 NC(=O)c1cnc2c(cccc2c1-c1cccc(NCc2ccc(CC(O)=O)cc2)c1)C(F)(F)F
20010 Cc1cccc2c(-c3cccc(NCc4ccc(CC(O)=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
20011 Cc1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(NCc2ccc(CC(O)=O)cc2)c1
20012 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(F)cccc23)C(=O)c2ccccc2)cc1
20013 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3ccccc23)C(=O)c2ccccc2)cc1
20014 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(Cl)cccc23)C(=O)c2ccccc2)cc1
20015 OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(Cl)cccc23)cc1
20016 OC(=O)Cc1cccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)c1
20017 OC(=O)COc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20018 OC(=O)\C=C\c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20019 OC(=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20020 CC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20021 CC(C)(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20022 OC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20023 OC(=O)C(F)(F)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20024 NC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20025 OCCc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20026 FC(F)(F)c1cccc2c(-c3cccc(NCc4ccccc4)c3)c(cnc12)C(=O)c1ccccc1
20027 OCc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
20028 FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=O)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
20029 FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=S)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
20030 Nc1[nH]c(=O)[nH]c(=O)c1Cl
20031 Brc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
20032 Brc1c([nH]c(=O)[nH]c1=O)N1CCCC1
20033 Brc1c([nH]c(=O)[nH]c1=O)N1CCC1
20034 NNc1[nH]c(=O)[nH]c(=O)c1Br
20035 Brc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
20036 Brc1c(NC2CC2)[nH]c(=O)[nH]c1=O
20037 OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Br
20038 OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Br
20039 OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
20040 OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
20041 Clc1c([nH]c(=O)[nH]c1=O)N1CCCCC1
20042 Clc1c([nH]c(=O)[nH]c1=O)N1CCCC1
20043 Clc1c([nH]c(=O)[nH]c1=O)N1CCC1
20044 NNc1[nH]c(=O)[nH]c(=O)c1Cl
20045 Clc1c([nH]c(=O)[nH]c1=O)N1CCOCC1
20046 Clc1c(NC2CC2)[nH]c(=O)[nH]c1=O
20047 OCC1CCCCN1c1[nH]c(=O)[nH]c(=O)c1Cl
20048 OCC1CCCN(C1)c1[nH]c(=O)[nH]c(=O)c1Cl
20049 OCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
20050 OCCC1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
20051 Brc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Br
20052 Brc1c(NCCNc2[nH]c(=O)[nH]c(=O)c2Br)[nH]c(=O)[nH]c1=O
20053 Clc1c([nH]c(=O)[nH]c1=O)N1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cl
20054 CCc1c(Cl)[nH]c(=O)[nH]c1=O
20055 CCCc1c(Cl)[nH]c(=O)[nH]c1=O
20056 CCCCc1c(Cl)[nH]c(=O)[nH]c1=O
20057 CCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
20058 CCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
20059 CCCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
20060 Clc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
20061 Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCC1 |t:10|
20062 Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCCC1 |t:10|
20063 CC(=C)c1c(Cl)[nH]c(=O)[nH]c1=O
20064 CCC(=CC)c1c(Cl)[nH]c(=O)[nH]c1=O |w:3.3|
20065 Clc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
20066 Cc1cc(C)cc(c1)-c1c(Cl)[nH]c(=O)[nH]c1=O
20067 Clc1[nH]c(=O)[nH]c(=O)c1-c1cccc2ccccc12 |(.16,2.02,;-1.17,2.79,;-2.51,2.02,;-3.84,2.79,;-5.18,2.02,;-3.84,4.33,;-2.51,5.1,;-2.51,6.64,;-1.17,4.33,;.16,5.1,;.16,6.64,;1.49,7.41,;2.83,6.64,;2.83,5.1,;4.16,4.33,;4.16,2.79,;2.83,2.02,;1.49,2.79,;1.49,4.33,)|
20068 Fc1ccc(cc1)-c1c(Cl)[nH]c(=O)[nH]c1=O
20069 Clc1[nH]c(=O)[nH]c(=O)c1-c1cccs1
20070 Clc1[nH]c(=O)[nH]c(=O)c1-c1cccnc1
20071 CC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:1.0|
20072 CCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:3.3|
20073 CCCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:4.4|
20074 Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
20075 Fc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
20076 Brc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
20077 O=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1
20078 NCCNc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1
20079 Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O
20080 CC(C)(C)OC(=O)NCC(=O)NCC#N
20082 O=C(CNC(=O)OCc1ccccc1)NCC#N
20083 C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20084 CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20085 CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20086 CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20087 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20088 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20089 CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCC#N |r|
20090 CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCC#N |r|
20091 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20092 CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#N |r|
20093 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC#N |r|
20094 CC(C)(C)OC(=O)N[C@H](C(=O)NCC#N)c1ccccc1 |r|
20095 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
20096 O=C(N[C@@H](Cc1ccccc1)C(=O)NCC#N)OCc1ccccc1 |r|
20097 CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)NCC#N |r|
20098 CC(C)(C)OC(=O)N[C@@H](Cc1cccs1)C(=O)NCC#N |r|
20099 CC(C)(C)OC(=O)N[C@@H](Cc1ccsc1)C(=O)NCC#N |r|
20100 CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)NCC#N |r|
20101 CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)NCC#N |r|
20102 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC#N |r|
20103 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC#N |r|
20104 CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1)C(=O)NCC#N |r|
20105 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1F)C(=O)NCC#N |r|
20106 CC(C)(C)OC(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NCC#N |r|
20107 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#N |r|
20108 CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#N |r|
20109 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#N |r|
20110 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#N |r|
20111 CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)NCC#N |r|
20112 CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC#N |r|
20113 CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCC#N |r|
20114 CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC#N |r|
20115 CC(C)(C)OC(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(=O)NCC#N |r|
20116 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC#N |r|
20117 O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCC#N
20118 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r|
20119 O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
20120 O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1)-c1ccccc1 |r|
20121 CN(CC#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
20122 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCC#N |r|
20123 CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)NCC#N
20124 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O |r|
20125 CC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r|
20126 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#C |r|
20127 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C |r|
20131 COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
20132 COc1cccc([C@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
20133 COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(F)cc2)c1OC |c:9|
20134 COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(C)cc2)c1OC |c:9|
20135 COc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 |c:11|
20136 COc1cc(F)ccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:12|
20137 FC(F)Oc1ccccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:13|
20138 Fc1cc(F)c(C(=O)N2N=C(SC2c2cccc3OC(F)(F)Oc23)c2ccc(Cl)cc2)c(F)c1 |c:9|
20139 COc1ncccc1C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:11|
20140 COc1cccc(C2SC(=NN2C(=O)c2ccc(F)cc2F)c2ccc(Cl)cc2)c1OC |c:9|
20141 COc1cccc(C2SC(=NN2C(=O)c2cccc(F)c2)c2ccc(F)c(F)c2)c1OC |c:9|
20142 COc1cccc(C2SC(=NN2C(=O)c2cc(F)cc(F)c2)c2ccc(F)cc2)c1OC |c:9|
20143 COc1cccc(C2SC(=NN2C(=O)c2cc(F)ccc2C)c2ccc(F)cc2)c1OC |c:9|
20144 COc1cc(F)c(C(=O)N2N=C(SC2c2cccc(OC)c2OC)c2ccc(F)cc2)c(F)c1 |c:10|
20145 COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(Br)cc2F)c2ccc(F)cc2)c1OC |c:9|
20146 COc1cccc(C2SC(=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c2ccc(F)cc2)c1OC |c:9|
20147 COc1cccc(C2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)c(Cl)c2)c1OC |c:9|
20148 COc1cccc(c1)C1SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(Cl)cc1 |c:11|
20149 Fc1cc(F)c(C(=O)N2N=C(SC2c2ccccc2OC(F)(F)F)c2ccc(Cl)cc2)c(F)c1 |c:9|
20150 COc1ccccc1C1(C)SC(=NN1C(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 |c:12|
20151 COc1cccc(C2SC(=NN2C(=O)c2ccccc2F)c2ccc(Cl)cc2)c1OC |c:9|
20152 COc1cccc(C2SC(=NN2C(=O)c2c(F)ccc(F)c2F)c2ccc(F)cc2)c1OC |c:9|
20153 COc1cccc(C2SC(=NN2C(=O)c2cc(F)c(F)cc2F)c2ccc(F)cc2)c1OC |c:9|
20154 COc1cccc(C2SC(=NN2C(=O)c2cccc(Cl)c2)c2ccc(F)cc2)c1OC |c:9|
20155 COc1cccc([C@@H]2SC(=NN2C(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)c1OC |r,c:9|
20156 COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:7|
20157 O=C1N(Cc2ccccc2)C(=O)C(=C1Nc1ccccc1)c1ccccc1 |c:13|
20158 Clc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c2ccccc2)cc1 |t:6|
20159 CCN1C(=O)C(Nc2ccc(OC)cc2)=C(C1=O)c1ccccc1 |c:15|
20160 COc1ccc(cc1)N=C1C(C(=O)N(C1=O)c1ccccc1)c1ccccc1 |w:8.8|
20161 COc1ccc(NC2=C(C(=O)N(C)C2=O)c2ccccc2)cc1 |t:7|
20162 CCN1C(=O)C(Nc2ccccc2)=C(C1=O)c1ccccc1 |c:13|
20163 CCN1C(=O)C(Nc2ccc(Cl)cc2)=C(C1=O)c1ccccc1 |c:14|
20164 [H][C@@]1(CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC=C5C[C@@]([H])(O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)OC1(C)C |r,t:15|
20165 COc1ccc(CN(CCCOc2cccc(c2)C(N)=O)CC(c2ccccc2)c2ccccc2)cc1OC
20166 COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1
20167 COc1ccc(CN(CCCOc2cccc(CC(O)=O)c2)CC(c2ccccc2)c2ccccc2)cc1
20168 COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(OC)c1
20169 COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)cc1F
20170 COc1ccc(CN(CCCOc2cccc(CC(N)=O)c2)CC(c2ccccc2)c2ccccc2)c(F)c1
20171 NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2)C(F)(F)F)c1
20172 NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2ccc(F)c(c2)C(F)(F)F)c1
20173 NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
20174 [H][C@]1(CC[C@@H](C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])CC=C5C[C@@]([H])(O)CC[C@]5(C)[C@@]4([H])CC[C@]23C)OC1(C)C |r,t:15|
20175 [H][C@@]12CC[C@]([H])([C@@](C)(O)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@]([H])(O)CC[C@]12C |r,t:26|
20176 [H][C@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
20177 [H][C@@](O)(CCC(C)C)[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
20178 [H][C@](O)(CC(C)C)C[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
20179 [H][C@@](O)(CC(C)C)C[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
20180 [H][C@](O)(CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C |r,t:16|
20181 [H][C@@](O)(CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)C |r,t:16|
20182 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O |r,t:9|
20183 [H][C@](C)(CO)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C |r,t:19|
20184 [H][C@](CO)(C[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)(C)O |r,t:16|
20185 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)C(C)C |r,t:9|
20186 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N(C)C |r,t:9|
20187 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NC |r,t:9|
20188 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CNC(=O)C(C)C |r,t:9|
20189 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CNC(=O)N(C)C |r,t:9|
20190 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O |r,t:9|
20191 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)OC |r,t:9|
20192 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9|
20193 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20194 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](C)NC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r,wU:8.21,64.69,80.85,wD:24.25,4.4,60.66,73.78,(10.21,-4.51,;9.44,-3.18,;7.9,-3.18,;10.21,-1.85,;10.21,-.31,;8.88,.46,;7.54,-.31,;7.54,-1.85,;6.21,.46,;6.21,2,;5.44,3.34,;3.9,3.22,;3.03,4.49,;3.7,5.88,;2.61,6.96,;3.38,8.3,;4.15,9.63,;4.92,8.3,;2.29,9.39,;5.23,6,;6.1,4.73,;4.88,-.31,;3.54,.46,;3.54,2,;2.21,-.31,;2.01,-1.83,;1.12,.78,;.35,2.12,;1.12,3.45,;-1.19,2.12,;-1.96,.78,;-3.5,.78,;-4.27,2.12,;-3.5,3.45,;-1.96,3.45,;-3.9,4.94,;-2.81,6.03,;-5.39,5.34,;-5.81,2.12,;-6.58,3.45,;-5.81,4.78,;-6.58,6.12,;-8.12,6.12,;-8.89,7.45,;-8.89,4.78,;-8.12,3.45,;-8.89,2.12,;-8.12,.78,;-8.89,-.55,;-8.12,-1.88,;-8.89,-3.22,;-6.58,-1.88,;-5.81,-.55,;-6.58,.78,;11.54,.46,;11.54,2,;12.88,-.31,;12.83,-1.85,;14.28,-2.36,;15.22,-1.15,;14.36,.13,;15.13,1.46,;14.36,2.79,;16.46,.69,;17.79,1.46,;17.79,3,;19.13,3.77,;19.13,5.31,;20.46,6.08,;17.79,6.08,;19.13,.69,;19.13,-.85,;20.46,1.46,;21.79,.69,;21.79,-.85,;20.46,-1.62,;23.13,-1.62,;23.13,1.46,;23.13,3,;24.46,.69,;25.8,1.46,;25.8,3,;24.46,3.77,;27.13,3.77,;27.13,.69,;28.46,1.46,;27.13,-.85,)|
20195 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20196 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
20197 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20198 CCC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20199 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20200 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20201 CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20202 CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20203 CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
20204 CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
20205 CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20206 CC(O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(c1ccccc1)c1ccccc1)C(N)=O |r|
20207 CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20208 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20209 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@@]1(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20210 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20211 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
20212 [H][C@](CCC(O)=N)(N=C(O)[C@]1([H])N(C[C@]2([H])C[C@]12[H])C(=O)[C@@]([H])(CC(C)C)N=C(O)[C@@]([H])(Cc1ccc(OP(O)(O)=O)cc1)N=C(C)O)C(O)=N[C@]([H])(C(C)O)C(O)=N |r,w:45.48,48.51,28.30,8.8|
20213 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20214 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20215 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@@H](C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
20216 [H][C@@](CCC(O)=N)(N=C(O)[C@@]1([H])CCCN(C1)C(=O)[C@]([H])(CC(C)C)N=C(O)[C@]([H])(Cc1ccc(OP(O)(O)=O)cc1)N=C(C)O)C(O)=N[C@@]([H])(C(C)O)C(O)=N |r,w:43.45,8.8,46.48,26.27|
20217 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC(CC1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20218 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCN(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O)CC1 |r|
20219 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20220 CNC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20221 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20222 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCS(C)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20223 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](C(C)O)C(N)=O |r|
20224 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCCCC(N)=O |r|
20225 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NCCCCCC(N)=O |r|
20226 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(c1)C(N)=O |r|
20227 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCC(C1)C(N)=O |r|
20228 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)C(N)=O |r|
20229 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCCC(C1)C(N)=O |r|
20230 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 |r|
20231 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC(CC(N)=O)C1 |r|
20232 CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
20233 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
20234 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)c1ccccc1 |r|
20235 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)c1ccccc1 |r|
20236 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
20237 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)C |r|
20238 CCN(CC)C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
20239 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCCC1 |r|
20240 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCCCC1 |r|
20241 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](C(C)O)C(N)=O |r|
20242 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
20243 [H][C@](CCC(O)=N)(N=C(O)[C@]1([H])N(C[C@]2([H])C[C@]12[H])C(=O)[C@@]([H])(CC(C)C)N=C(O)[C@@]([H])(Cc1ccc(OP(O)(O)=O)cc1)N=C(O)CCc1ccccc1)C(O)=NCc1ccccc1 |r,w:57.61,45.48,28.30,8.8|
20244 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
20246 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@@H](NC1=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)nn2 |r|
20247 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
20248 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
20249 CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(N)=O |r,wU:26.34,7.12,wD:37.51,16.23,3.3,60.63,(11.96,1.76,;10.62,2.53,;9.29,1.76,;10.62,4.07,;9.29,4.84,;7.95,4.07,;7.95,2.53,;6.62,4.84,;6.62,6.38,;7.95,7.15,;7.95,8.69,;6.62,9.46,;9.29,9.46,;5.29,4.07,;3.95,4.84,;3.95,6.38,;2.62,4.07,;2.62,2.53,;3.39,1.2,;2.93,-.27,;4.19,-1.16,;5.42,-.24,;4.93,1.22,;1.29,4.84,;-.05,4.07,;-.05,2.53,;-1.38,4.84,;-1.38,6.38,;-.05,7.15,;-.05,8.69,;1.29,9.46,;1.29,11,;2.62,11.77,;-.05,11.77,;-2.72,4.07,;-4.05,4.84,;-4.05,6.38,;-5.38,4.07,;-5.38,2.53,;-6.72,1.76,;-8.05,2.53,;-9.38,1.76,;-9.38,.22,;-10.72,-.55,;-10.72,-2.09,;-10.72,-3.63,;-9.18,-2.09,;-12.26,-2.09,;-8.05,-.55,;-6.72,.22,;-6.72,4.84,;-6.72,6.38,;-8.05,7.15,;-5.38,7.15,;11.96,4.84,;11.96,6.38,;13.29,4.07,;13.65,2.58,;15.19,2.46,;15.77,3.89,;14.6,4.88,;14.71,6.42,;13.44,7.28,;16.1,7.09,)|
20250 CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(N)=O |r|
20251 CSCC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
20252 C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O |r|
20253 CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O |r|
20254 [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](-[#6])=O)-[#6](-[#7])=O |r|
20255 CCC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20256 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
20257 [#6]-[#6](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
20258 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O |r|
20259 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(N)=O |r|
20260 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8]P([#8])([#8])=O)cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#7])=O |r|
20261 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(N)=O |r|
20262 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(C)O)C(N)=O |r|
20263 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20264 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20265 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20266 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(N)=O |r|
20267 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20268 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(O)=O)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20269 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1nnn[nH]1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20270 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(CP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20271 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20272 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
20273 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(O)=O |r|
20274 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC(C)C |r|
20275 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCCCO |r|
20276 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NC1CCCCC1 |r|
20277 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1ccccc1 |r|
20278 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccccc1 |r|
20279 COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)c1 |r|
20280 CC(C)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N |r|
20281 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)NCc1ccncc1 |r|
20282 CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
20283 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
20284 Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
20285 [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)c(OC)c3)=C[C@@]21[H])C(C)=C |c:47,t:23,TLB:11:3:12.14.13:44,THB:4:3:12.14.13:44|
20286 [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3cc(I)c(O)c(OC)c3)=C[C@@]21[H])C(C)=C |c:48,t:23,TLB:11:3:12.14.13:45,THB:4:3:12.14.13:45|
20287 CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
20288 CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
20289 CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
20290 CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
20291 CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1
20292 COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
20293 Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
20294 Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
20295 CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)cc1
20296 CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1
20297 CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(Cl)c1
20298 COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
20299 Cc1ccc(CC(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
20300 Cc1ccc(CC(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
20301 COc1cc(ccc1NS(C)(=O)=O)C(C)(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
20302 Cc1ccc(CC(CNC(=O)C2(CC2)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
20303 Cc1ccc(CC(CNC(=O)C2(CC2)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
20304 COc1cc(ccc1NS(C)(=O)=O)C1(CC1)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
20305 C[C@@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20306 C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20307 C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20308 C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20309 C[C@@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20310 C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20311 C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r|
20312 C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20313 C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20314 C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r|
20315 CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
20316 CC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
20317 C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 |r|
20318 C[C@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1 |r|
20319 CC(C)(C)c1ccc(CNC(=S)NC(C)(C)c2ccc(NS(C)(=O)=O)cc2)cc1
20320 CC(C)(C)c1ccc(CNC(=S)NC2(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
20321 CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
20322 CC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
20323 C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20324 C[C@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
20325 CCC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
20326 CC(C)C(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
20327 CC(C)(C)c1ccc(CNC(=S)NC(Cc2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
20328 CC(C)(C)c1ccc(CNC(=S)NC(c2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
20329 CC(C)(C)c1ccc(CNC(=S)NC(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
20330 COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
20331 COc1cc(ccc1NS(C)(=O)=O)C(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
20332 COc1cc(ccc1NS(C)(=O)=O)C(C)(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
20333 COc1cc(ccc1NS(C)(=O)=O)C1(CC1)NC(=S)NCc1ccc(cc1)C(C)(C)C
20334 FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
20335 CN(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
20336 O=C(NCc1ccc(cc1)N1CCCC1)Nc1cccc2cnccc12
20337 O=C(NCc1ccc(cc1)N1CCCCC1)Nc1cccc2cnccc12
20338 O=C(NCc1ccc(cc1)N1CCCCCC1)Nc1cccc2cnccc12
20339 O=C(NCc1ccc(cc1)N1CCCCCCC1)Nc1cccc2cnccc12
20340 CC1CCN(CC1)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
20341 O=C(NCc1ccc(cc1)N1CCOCC1)Nc1cccc2cnccc12
20342 CC1CN(CC(C)O1)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
20343 O=C(NCc1ccc(cc1)N1CCSCC1)Nc1cccc2cnccc12
20344 O=C(NCc1ccc(cc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2cnccc12 |r,THB:7:10:16.15.17:12.13|
20345 Cc1cc2c(NC(=O)NCc3ccc(cc3)N3CCCCCC3)cccc2cn1
20346 Nc1cc2c(NC(=O)NCc3ccc(cc3)N3CCCCCC3)cccc2cn1
20347 Clc1cc2c(NC(=O)NCc3ccc(cc3)N3CCOCC3)cccc2cn1
20348 Clc1cc(ccc1CNC(=O)Nc1cccc2cnccc12)N1CCCCCC1
20349 FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2cnccc12)N1CCCCCC1
20350 FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1N1CCCCCC1
20351 Fc1cc(CNC(=O)Nc2cccc3cnccc23)ccc1N1CCCCCC1
20352 Fc1cc(CNC(=O)Nc2cccc3cnccc23)cc(F)c1N1CCOCC1
20353 Cc1cc2c(NC(=O)NCc3ccc(N4CCCC4)c(F)c3)cccc2cn1
20354 Cc1cc2c(NC(=O)NCc3ccc(N4Cc5ccccc5C4)c(F)c3)cccc2cn1
20355 Nc1cc2c(NC(=O)NCc3ccc(N4[C@H]5CC[C@@H]4CCC5)c(c3)C(F)(F)F)cccc2cn1 |r,THB:13:14:20.19.21:16.17|
20356 Clc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1CCCCCC1
20357 FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1CCCCCC1
20358 FC(F)(F)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1CCCCCC1
20359 Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1CCCCCC1
20360 Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)cc(F)c1N1CCCCCC1
20361 O=C(NCc1ccc(cc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2[nH]ncc12 |r,THB:7:10:16.15.17:12.13|
20362 Clc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:3:21:27.26.28:23.24|
20363 FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:6:24:30.29.31:26.27|
20364 FC(F)(F)c1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:23:24:30.29.31:26.27|
20365 Clc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
20366 Brc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
20367 Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
20368 Fc1cc(CNC(=O)Nc2cccc3[nH]ncc23)cc(F)c1N1[C@H]2CC[C@@H]1CCC2 |r,THB:21:22:28.27.29:24.25|
20369 Fc1c(CNC(=O)Nc2cccc3[nH]ncc23)ccc(N2[C@H]3CC[C@@H]2CCC3)c1F |r,THB:19:20:26.25.27:22.23|
20370 Fc1cc(N2[C@H]3CC[C@@H]2CCC3)c(F)cc1CNC(=O)Nc1cccc2[nH]ncc12 |r,THB:3:4:10.9.11:6.7|
20371 Fc1cc(N2[C@H]3CC[C@@H]2CC2(C3)OCCO2)c(F)cc1CNC(=O)Nc1cccc2[nH]ncc12 |r,TLB:3:4:6.7:9.11.10|
20372 Fc1cc(N2[C@H]3CC[C@@H]2CC(=O)C3)c(F)cc1CNC(=O)Nc1cccc2[nH]ncc12 |r,TLB:3:4:6.7:9.12.10|
20373 Cn1ccc2cc(CNC(=O)Nc3cccc4n(C)ncc34)ccc12
20374 CCN1CCc2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc12
20375 CCN1CCc2cc(CNC(=O)Nc3cccc4n(C)ncc34)ccc12
20376 Cn1c2ccccc2c2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc12
20377 Cc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CC[C@@H]1CCC2 |r,THB:20:21:27.26.28:23.24|
20378 Cc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:3:21:27.26.28:23.24|
20379 O=C(NCc1ccc(cc1Cc1ccccc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2[nH]ncc12 |r,THB:7:17:23.22.24:19.20|
20380 Cn1ncc2c(NC(=O)NCc3ccc(cc3Cc3ccccc3)N3[C@H]4CC[C@@H]3CCC4)cccc12 |r,THB:14:24:30.29.31:26.27|
20381 CC(C)c1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:5:23:29.28.30:25.26|
20382 CC(C)(C)CCc1cc(ccc1CNC(=O)Nc1cccc2[nH]ncc12)N1[C@H]2CC[C@@H]1CCC2 |r,THB:8:26:32.31.33:28.29|
20383 CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
20384 CC(NC(=O)Nc1cccc2cnccc12)c1ccc(Br)cc1
20385 CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(C)(C)C
20386 CC(NC(=O)Nc1cccc2cnccc12)c1ccc(c(F)c1)C(F)(F)F
20387 FC(F)(F)c1ccc(cc1)C(NC(=O)Nc1cccc2cnccc12)c1ccccc1
20388 CC(C)(C)c1ccc(cc1)C(NC(=O)Nc1cccc2cnccc12)c1ccccc1
20389 O=C(NC(c1ccccc1)c1ccc(cc1)N1CCCCC1)Nc1cccc2cnccc12
20390 O=C(NC(c1ccccc1)c1ccccc1)Nc1cccc2cnccc12
20391 CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1C)C(C)(C)C
20392 CCc1cc(ccc1C(C)NC(=O)Nc1cccc2cnccc12)C(C)(C)C
20393 CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1C(C)(C)C)C(C)(C)C
20394 CCC(NC(=O)Nc1cccc2cnccc12)c1ccc(c(F)c1)C(F)(F)F
20395 CCC(NC(=O)Nc1cccc2cnccc12)c1ccccc1
20396 CN(C)CC(NC(=O)Nc1cccc2cnccc12)c1ccccc1
20397 O=C(NC(CC#N)c1ccccc1)Nc1cccc2cnccc12
20398 FC(F)(F)c1ccc(cc1)C(NC(=O)Nc1cccc2cnccc12)C1CC1
20399 FC(F)(F)c1ccc(cc1)C(NC(=O)Nc1cccc2cnccc12)C1CCCC1
20400 FC(F)(F)c1ccc(cc1)C(NC(=O)Nc1cccc2cnccc12)C1CCCCC1
20401 CC(C)(NC(=O)Nc1cccc2cnccc12)c1ccc(Cl)cc1
20402 CC(C)(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
20403 CC(NC(=O)Nc1cccc2[nH]ncc12)c1ccc(cc1)C(F)(F)F
20404 C[C@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(cc1)C(F)(F)F |r|
20405 C[C@@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(cc1)C(F)(F)F |r|
20406 C[C@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C)cc1 |r|
20407 C[C@@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc(C)cc1 |r|
20408 C[C@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc2ccccc2c1 |r|
20409 C[C@@H](NC(=O)Nc1cccc2[nH]ncc12)c1ccc2ccccc2c1 |r|
20410 FC(F)(F)Sc1cccc(NC(=O)Nc2cccc3ncccc23)c1
20411 FC(F)(F)Sc1cccc(NC(=O)Nc2cccc3cccnc23)c1
20412 CSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
20413 FC(F)(F)Sc1cccc(NC(=O)Nc2cccc3cnccc23)c1
20414 FC(F)(F)Sc1cccc(NC(=O)Nc2cccc3ccncc23)c1
20415 FC(F)(F)c1ccccc1CNC(=O)Nc1cccc2cnccc12
20416 FC(F)(F)c1cccc(CNC(=O)Nc2cccc3cnccc23)c1
20417 FC(F)(F)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
20418 FC(F)(F)c1cccc(CCNC(=O)Nc2cccc3cnccc23)c1
20419 FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cncnc23)cc1
20420 Brc1ccc(CNC(=O)Nc2cccc3cncnc23)cc1
20421 FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnncc23)cc1
20422 FC(F)(F)Sc1cccc(NC(=O)Nc2cccc3nccnc23)c1
20423 Cc1cc2c(NC(=O)NCc3ccc(Cl)c(Cl)c3)cccc2nn1
20424 FC(F)(F)c1ccc(COC(=O)Nc2cccc3cnccc23)cc1
20425 Cc1ccc(COC(=O)Nc2cccc3cnccc23)cc1
20426 Clc1ccc(COC(=O)Nc2cccc3cnccc23)cc1
20427 Brc1ccc(COC(=O)Nc2cccc3cnccc23)cc1
20428 CC(C)(C)c1ccc(COC(=O)Nc2cccc3cnccc23)cc1
20429 Brc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1
20430 Brc1ccc(CNC(=O)Nc2ccc3[nH]ccc3c2)cc1
20431 Brc1ccc(CNC(=O)Nc2ccc3cc[nH]c3c2)cc1
20432 Brc1ccc(CNC(=O)Nc2cccc3cc[nH]c23)cc1
20433 Brc1ccc(CNC(=O)Nc2cccc3[nH]ncc23)cc1
20434 Brc1ccc(CNC(=O)Nc2ccc3[nH]ncc3c2)cc1
20435 Cc1[nH]c2cccc(NC(=O)NCc3ccc(Br)cc3)c2c1C
20436 Cn1ncc2c(NC(=O)NCc3ccc(Br)cc3)cccc12
20437 Cn1cc2c(NC(=O)NCc3ccc(Br)cc3)cccc2n1
20438 Brc1ccc(CNC(=O)Nc2cccc3nc[nH]c23)cc1
20439 Clc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1Cl
20440 FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1
20441 FC(F)(F)Oc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1
20442 Fc1cc(CNC(=O)Nc2cccc3[nH]ccc23)ccc1C(F)(F)F
20443 FC(F)(F)c1cc(CNC(=O)Nc2cccc3[nH]ccc23)ccc1Cl
20444 Clc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1
20445 Fc1cccc(CNC(=O)Nc2cccc3[nH]ccc23)c1
20446 Fc1ccc(CNC(=O)Nc2cccc3[nH]ccc23)cc1
20447 Clc1ccc(CNC(=O)Nc2cccc3[nH]ncc23)cc1Cl
20448 FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ncc23)cc1
20449 FC(F)(F)Oc1ccc(CNC(=O)Nc2cccc3[nH]ncc23)cc1
20450 FC(F)(F)c1cccc(CNC(=O)Nc2cccc3[nH]ncc23)c1
20451 Cn1ncc2c(NC(=O)NCc3ccc(OC(F)(F)F)cc3)cccc12
20452 Cn1ncc2c(NC(=O)NCc3ccc(Cl)cc3)cccc12
20453 Cn1ncc2c(NC(=O)NCc3ccc(F)cc3)cccc12
20454 Cn1ncc2c(NC(=O)NCc3ccc(Cl)c(Cl)c3)cccc12
20455 FC(F)(F)c1ccc(CNC(=O)Cc2cccc3[nH]ncc23)cc1
20456 FC(F)(F)c1ccc(CNC(=O)Cc2cccc3[nH]ccc23)cc1
20457 FC(F)(F)c1ccc(COC(=O)Nc2cccc3[nH]ccc23)cc1
20458 CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
20459 [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3ccc(O)cc3)=C[C@@]21[H])C(C)=C |c:45,t:23,TLB:11:3:12.14.13:42,THB:4:3:12.14.13:42|
20460 CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
20461 COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
20462 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1ccc(O)c(O)c1
20464 FC(F)(F)c1ccc(\C=C\C(=O)Nc2ccc3cccnc3c2)c(n1)N1CCCCC1
20465 Fc1ccc2[C@@H](Cc3cccc(c3)C(F)(F)F)[C@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
20466 FC(F)(F)c1cccnc1N1CCC(=CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |c:14|
20467 CC(C)(C)c1ccc2[C@H](CCc2c1)NC(=O)Nc1cccc2cnccc12 |r|
20468 CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
20469 CCN(CCNC(=O)Nc1ccccc1)c1cccc(C)c1
20470 CCN(CCNC(=O)Nc1ccccc1C)c1cccc(C)c1
20471 CCN(CCNC(=O)Nc1ccccc1F)c1cccc(C)c1
20472 CCN(CCNC(=O)Nc1ccccc1Cl)c1cccc(C)c1
20473 CCN(CCNC(=O)Nc1cccc(Br)c1)c1cccc(C)c1
20474 CCN(CCNC(=O)Nc1ccc(Br)cc1)c1cccc(C)c1
20475 CCN(CCNC(=O)Nc1cccc2ccccc12)c1cccc(C)c1
20476 CCN(CCNC(=O)Nc1cccc(Cl)c1Cl)c1cccc(C)c1
20477 CCN(CCNC(=O)Nc1cc(Cl)ccc1Cl)c1cccc(C)c1
20478 Cc1cccc(NCCNC(=O)Nc2ccccc2Br)c1
20479 CN(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
20480 Cc1cccc(c1)N(CCNC(=O)Nc1ccccc1Br)Cc1ccccc1
20481 CC(=O)N(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
20482 CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1
20483 CCN(CCNC(=O)Nc1ccccc1Br)c1ccccc1C
20484 CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1
20485 CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(F)c1
20486 CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1
20487 CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)c(F)c1
20488 COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1
20489 CC[N+](C)(CCNC(=O)Nc1ccccc1Br)c1cccc(C)c1
20490 Brc1ccccc1NC(=O)NCCN1CCc2ccccc12
20491 Cc1cccc2N(CCNC(=O)Nc3ccccc3Br)CCc12
20492 Cc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCc2c1
20493 Fc1cccc2N(CCNC(=O)Nc3ccccc3Br)CCc12
20494 Fc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCc2c1
20495 Cc1ccc2N(CCNC(=O)Nc3ccccc3Br)CCCc2c1
20496 Cc1cccc(c1)N1CC[C@@H](C1)NC(=O)Nc1ccccc1Br |r|
20497 Cc1cccc(c1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20498 Fc1cccc(c1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20499 Fc1ccc(cc1F)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20500 Cc1ccc(cc1F)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20501 Brc1ccccc1NC(=O)N[C@@H]1CCN(C1)c1ccccn1 |r|
20502 FC(F)(F)c1cccnc1N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20503 FC(F)(F)c1ccnc(c1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20504 FC(F)(F)c1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20505 FC(F)(F)c1cccc(n1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20506 Brc1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20507 Clc1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20508 Brc1ccccc1NC(=O)N[C@@H]1CCN(C1)c1ccc(cn1)C#N |r|
20509 Cc1ccc(nc1)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br |r|
20510 CC(C)(C)c1ccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)cc1
20511 CC(C)(C)c1ccc(\C=C2/CCCN(C2=O)c2ccc3OCCOc3c2)cc1
20512 CC(C)(C)c1ccc(Cc2cccn(-c3ccc4OCCOc4c3)c2=O)cc1
20513 CC(C)(C)c1ccc(cc1)-c1cccc(Nc2ccc3OCCOc3c2)c1
20514 CC(C)(C)c1ccc(cc1)-c1ccnc(Nc2ccc3OCCOc3c2)c1
20515 CC(C)(C)c1ccc(cc1)-c1cncc(Nc2ccc3OCCOc3c2)c1
20516 CC(C)(C)c1ccc(cc1)-c1cc(Nc2ccc3OCCOc3c2)ccn1
20517 CC(C)(C)c1ccc(cc1)-c1cccc(Nc2ccc3OCCOc3c2)n1
20518 CC(C)(C)c1ccc(cc1)-c1cc(Nc2ccc3OCCOc3c2)ncn1
20519 CC(C)(C)c1ccc(cc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
20520 CC(C)(C)c1ccc(cc1)-c1nccc(Nc2ccc3OCCOc3c2)n1
20521 CC(C)(C)c1ccc(cc1)-c1cnnc(Nc2ccc3OCCOc3c2)c1
20522 CC(C)(C)c1ccc(cc1)-c1cc(Nc2ccc3OCCOc3c2)cnn1
20523 CC(C)(C)c1ccc(cc1)-c1cncc(Nc2ccc3OCCOc3c2)n1
20524 CC(C)(C)c1ccc(cc1)-c1ncnc(Nc2ccc3OCCOc3c2)n1
20525 CN(c1ccc2OCCOc2c1)c1cc(ncn1)-c1ccc(cc1)C(C)(C)C
20526 CC(C)(C)c1ccc(cc1)-c1cc(Oc2ccc3OCCOc3c2)ncn1
20527 CC(C)(C)c1ccc(cc1)-c1cc(Sc2ccc3OCCOc3c2)ncn1
20528 CC(C)(C)c1ccc(cc1)-c1cc(Cc2ccc3OCCOc3c2)ncn1
20529 FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3OCCOc3c2)ncn1
20530 CC(C)(C)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
20531 FC(F)(F)c1ccc(cc1)-c1cc(Nc2ccc3cccnc3c2)ncn1
20532 FC(F)(F)c1ccc(cc1)-c1cc(Oc2ccc3cccnc3c2)ncn1
20533 FC(F)(F)c1ccc(cc1)-c1cc(Oc2ccc3ccncc3c2)ncn1
20534 FC(F)(F)c1ccc(cc1)-c1cc(Oc2ccc3cnccc3c2)ncn1
20535 FC(F)(F)c1ccc(cc1)-c1cc(Oc2ccc3ncccc3c2)ncn1
20536 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cnc3ccccc3c2)ncn1
20537 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cc3ccccc3cn2)ncn1
20538 FC(F)(F)c1ccc(cc1)-c1cc(Oc2ccc3ccccc3n2)ncn1
20539 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cccc3cccnc23)ncn1
20540 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cccc3ccncc23)ncn1
20541 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cccc3cnccc23)ncn1
20542 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cccc3ncccc23)ncn1
20543 FC(F)(F)c1ccc(cc1)-c1cc(Oc2ccnc3ccccc23)ncn1
20544 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cncc3ccccc23)ncn1
20545 FC(F)(F)c1ccc(cc1)-c1cc(Oc2nccc3ccccc23)ncn1
20546 FC(F)(F)c1ccc(cc1)-c1cc(Oc2cccc3ccc(=O)[nH]c23)ncn1
20547 COc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20548 Nc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20549 CNc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20550 CN(C)c1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20551 CC(=O)Nc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20552 Nc1ncc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20553 Nc1cnc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
20554 Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2[nH]c1=O
20555 Nc1nc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2[nH]c1=O
20556 Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
20557 CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
20558 CN(C(C)=O)c1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
20559 CCC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
20560 CC(C)C(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1
20561 CC(=O)Nc1nc2c(Oc3cc(ncn3)C3=CCC(CC3)C(F)(F)F)cccc2s1 |t:16|
20562 CC(=O)Nc1nc2c(Oc3cc(ncn3)C3CCC(CC3)C(F)(F)F)cccc2s1 |(15.15,-10.72,;16.44,-11.49,;16.44,-13.04,;17.8,-10.72,;19.09,-11.49,;19.28,-12.98,;20.77,-13.37,;21.61,-14.66,;20.83,-16.01,;19.28,-16.01,;18.57,-17.37,;17.02,-17.5,;16.25,-16.08,;16.96,-14.79,;18.51,-14.72,;16.31,-18.79,;17.15,-20.08,;16.31,-21.44,;14.83,-21.5,;13.99,-20.14,;14.83,-18.79,;14.12,-22.86,;12.76,-23.63,;15.47,-23.57,;12.76,-22.08,;23.09,-14.66,;23.87,-13.3,;23.16,-12.01,;21.61,-12.01,;20.51,-10.91,)|
20563 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCC(CC3)C(F)(F)F)cccc2s1
20564 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCOCC3)cccc2s1
20565 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCNCC3)cccc2s1
20566 CC(C)N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1
20567 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)C(C)(C)C)cccc2s1
20568 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC(C)(C)C)CC3)cccc2s1
20569 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC(F)(F)F)CC3)cccc2s1
20570 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)c3ccccc3)cccc2s1
20571 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(Cc4ccccc4)CC3)cccc2s1
20572 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CCc4ccccc4)CC3)cccc2s1
20573 CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1
20574 CCC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1
20575 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)C(c3ccccc3)c3ccccc3)cccc2s1
20576 CC(=O)Nc1nc2c(Oc3cc(ncn3)N3CCN(CC3)C(C)(C)c3ccccc3)cccc2s1
20577 CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccccc1F
20578 CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1cccc(F)c1
20579 CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(cc1)C(F)(F)F
20580 COc1ccc(cc1)C(C)N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1
20581 C[C@@H](N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1 |r|
20582 C[C@H](N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1 |r|
20583 CC(N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1)c1ccc(F)cc1
20584 Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(F)cc1
20585 Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
20586 Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
20587 CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
20588 CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
20589 CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
20590 Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
20591 Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
20592 CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCC2)cc1
20593 CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
20594 CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1
20595 CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCCC2)cc1
20596 CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
20597 CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
20598 CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1
20599 CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1
20600 CC1(N(CCc2cc(O)ccc12)c1cccc(F)c1)c1ccc(OCCN2CCCC2)cc1
20601 CC1(N(CCc2cc(O)ccc12)c1cccc(Cl)c1)c1ccc(OCCN2CCCC2)cc1
20602 CC1(N(CCc2cc(O)ccc12)c1cccc(Cl)c1)c1ccc(OCCN2CCCCC2)cc1
20603 CC(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
20604 CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
20605 CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
20606 Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |r|
20607 CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
20608 CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
20609 Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(cc1)N1CCN2CCCCC2C1
20610 CC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
20611 CCN1CCN(CC1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
20612 CCC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
20613 CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
20614 CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
20615 CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(F)cc1
20616 CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(F)c1
20617 CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
20618 CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
20619 CC(C)N1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
20620 CC(C)CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
20621 Oc1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(cc1)N1CCN(CC2CC2)CC1
20622 Oc1ccc2C(N(CCc2c1)c1cccc(O)c1)c1ccc(cc1)N1CCN(CC1)C1CCCC1
20623 Oc1cccc(c1)N1CCc2cc(O)ccc2C1c1ccc(cc1)N1CCN(CC1)C1CCCCC1
20624 [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
20625 CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
20626 Oc1ccc2cc(sc2c1)-c1ccccc1
20627 Cc1ccc(cc1)-c1cc2ccc(O)cc2s1
20628 Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
20629 Oc1ccc2cc(sc2c1)-c1ccc(O)c(F)c1
20630 Cc1cc(ccc1O)-c1cc2ccc(O)cc2s1
20631 CCc1cc(ccc1O)-c1cc2ccc(O)cc2s1
20632 CCCc1cc(ccc1O)-c1cc2ccc(O)cc2s1
20633 Oc1ccc2cc(sc2c1)-c1ccc(O)c(O)c1
20634 Oc1cccc(c1)-c1cc2ccc(O)cc2s1
20635 CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1
20636 Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1
20637 Oc1cc(O)c2cc(sc2c1)-c1ccc(O)c(F)c1
20638 Cc1cc(ccc1O)-c1cc2c(O)cc(O)cc2s1
20639 CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
20640 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
20641 COC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(N)=O)c2c1C
20642 CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
20643 CCONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
20644 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(cc23)C(=O)OC)c1
20645 CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20646 CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1CC
20647 CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C(C)C
20648 CNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20649 CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20650 CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20651 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1
20652 CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C |r|
20653 COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20654 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NC4CCCC4)c(C)c23)c1
20655 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1
20656 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1
20657 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r|
20658 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@H](C)c4ccccc4)c(C)c23)c1 |r|
20659 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCCN4CCOCC4)c(C)c23)c1
20660 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(C)=O)c(C)c23)c1
20661 CCC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20662 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)C(C)C)c(C)c23)c1
20663 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)NC(C)C)c(C)c23)c1
20664 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC)c(C)c23)c1
20665 CCOC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
20666 CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC(C)C)c(C)c23)c1
20667 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC)ccc3C)c2c1C
20668 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C
20669 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OC(C)C)ccc3C)c2c1C
20670 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)Oc4ccccc4)ccc3C)c2c1C
20671 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)COC)ccc3C)c2c1C
20672 CCCNC(=O)c1cn2ncnc(Nc3cc(NC(C)=O)ccc3C)c2c1C
20673 CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)OCC)ccc3C)c2c1C
20674 CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)NC(C)C)c(C)c23)c1
20675 CCOC(=O)Nc1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)CC)c(C)c23)c1 |r|
20676 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
20677 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccccc1
20678 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccncc1
20679 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(F)cc1
20680 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(Cl)cc1
20681 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(Br)cc1
20682 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(cc1)[N+]([O-])=O
20683 COc1ccc(Cn2c(C)cc3nc(N)[nH]c(=O)c23)cc1
20684 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(OC(F)(F)F)cc1
20685 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1cc(Cl)cc(Cl)c1
20686 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1cc(Br)cc(Br)c1
20687 Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(Cl)c(Cl)c1
20688 [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|
20689 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
20690 COc1ccc(CNC(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
20691 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(F)cc1)-c1ccc(F)cc1 |r|
20692 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
20693 COCc1cccc(CNC(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
20694 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1cccc(c1)C#N)-c1ccc(F)cc1 |r|
20695 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(cc1)C(=O)N(C)C)-c1ccc(F)cc1 |r|
20696 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
20697 CCN(Cc1ccccc1)C(=O)c1nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C)-c1ccc(F)cc1 |r|
20698 CC(C)N(Cc1ccccc1)C(=O)c1nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C)-c1ccc(F)cc1 |r|
20699 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1C)-c1ccc(F)cc1 |r|
20700 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1 |r|
20701 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(C)cc1)-c1ccc(F)cc1 |r|
20702 COc1ccc(CN(C)C(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
20703 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1 |r|
20704 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
20705 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1)-c1ccc(F)cc1 |r|
20706 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1F)-c1ccc(F)cc1 |r|
20707 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1F)-c1ccc(F)cc1 |r|
20708 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)[C@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
20709 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)[C@@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
20710 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCC1c1ccccc1)-c1ccc(F)cc1 |r|
20711 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCCC1c1ccccc1)-c1ccc(F)cc1 |r|
20712 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCC(C1)c1ccccc1)-c1ccc(F)cc1 |r|
20713 CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCC[C@@H](C1)c1ccccc1)-c1ccc(F)cc1 |r|
20714 CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
20715 CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r|
20716 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
20717 CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC
20718 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 |r|
20719 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1 |r|
20720 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(F)c2)cc1 |r|
20721 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 |r|
20722 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 |r|
20723 CNC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(cc2)C(=O)[C@@H]2CCC[C@H]2C(O)=O)c1 |r|
20724 COc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(cc2)C(=O)[C@@H]2CCC[C@H]2C(O)=O)cc1 |r|
20725 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1 |r|
20726 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1 |r|
20727 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1 |r|
20728 OC(=O)[C@H]1CCC[C@@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
20729 OC(=O)[C@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1 |r|
20730 OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(Nc2nc3ccc(OC(F)(F)F)cc3s2)c(F)c1 |r|
20731 Oc1ccc2c(noc2c1)-c1cc(Br)c(O)cc1O
20732 CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28|
20733 Oc1ccc(-c2noc3cc(O)ccc23)c(O)c1
20734 Oc1ccc2c(noc2c1)-c1cc(Cl)c(O)cc1O
20735 COc1ccc2c(noc2c1)-c1cc(Cl)c(OC)cc1OC
20736 CN1CCN(CC1)c1ccc2onc(-c3cc(Cl)c(O)cc3O)c2c1
20737 Oc1cc(O)c(cc1Br)-c1noc2ccc(NCCN3CCOCC3)cc12
20738 COc1cc(OC)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
20739 Oc1cc(O)c(cc1Cl)-c1noc2ccc(NCCN3CCOCC3)cc12
20741 CCCCn1c(Cc2cc(OC)ccc2Cl)nc2c(N)ncnc12
20742 CCCCn1c(Cc2cc(OC)ccc2Br)nc2c(N)ncnc12
20743 CCCCn1c(Cc2cc(OC)ccc2I)nc2c(N)ncnc12
20744 CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc12
20745 COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCC#C)c1
20746 [#6]-[#8]-c1ccc(I)c(-[#16]-c2nc3c(-[#7])ncnc3n2-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c1
20747 COc1ccc(I)c(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c1
20748 CCC(CC)NCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc12
20749 CCC(C)NCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc12
20750 COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)C)c1
20751 COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCCNC(C)(C)C)c1
20752 COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)C)c1
20753 COc1ccc(I)c(Sc2nc3c(N)ncnc3n2CCNCC(C)(C)C)c1
20754 CCCCn1c(Sc2nc3ccccc3s2)nc2c(N)ncnc12
20755 CCCCn1c(Sc2nc3cc(Cl)ccc3s2)nc2c(N)ncnc12
20756 CCCCn1c(Sc2nc3c(Cl)cccc3s2)nc2c(N)ncnc12
20757 CCCCn1c(Sc2nc3ccc(Cl)cc3s2)nc2c(N)ncnc12
20758 CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20759 CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc12
20760 CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc12
20761 CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc12
20762 CCCCn1c(Sc2nc3ccc(Cl)c(Cl)c3s2)nc2c(N)ncnc12
20763 CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc12
20764 CCCCn1c(Sc2nc3cccc(OCC)c3s2)nc2c(N)ncnc12
20765 CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20766 CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20767 CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20768 CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20769 CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20770 CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20771 CCOP(=O)(CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12)OCC
20772 Nc1ncnc2n(CCCCC#N)c(Sc3nc4cccc(Cl)c4s3)nc12
20773 Nc1ncnc2n(CCO)c(Sc3nc4cccc(Cl)c4s3)nc12
20774 Nc1ncnc2n(CCCO)c(Sc3nc4cccc(Cl)c4s3)nc12
20775 Nc1ncnc2n(CCCCO)c(Sc3nc4cccc(Cl)c4s3)nc12
20776 Nc1ncnc2n(CCN3CCOCC3)c(Sc3nc4cccc(Cl)c4s3)nc12
20777 CC(C)(C)NCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20778 CC(C)(C)CNCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20779 Nc1ncnc2n(CCNC3CC3)c(Sc3nc4cccc(Cl)c4s3)nc12
20780 CC(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20781 CC(C)(C)NCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc12
20782 CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12
20783 CCOP(=O)(CCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc12)OCC
20784 CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12
20785 CCOP(=O)(CCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12)OCC
20786 CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc12
20787 COc1ccc(OC)c(Cn2cnc3c(Cl)nc(N)nc23)c1
20788 COc1cc(Cn2cnc3c(Cl)nc(N)nc23)cc(OC)c1OC
20789 COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Cl)c(OC)c1OC
20790 COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(Br)c(OC)c1OC
20791 COc1cc(Cn2cnc3c(Cl)nc(N)nc23)c(I)c(OC)c1OC
20792 COc1cc(Cn2cnc3c(Br)nc(N)nc23)c(Br)c(OC)c1OC
20793 COc1cc(Cn2cnc3c(N)nc(N)nc23)c(Br)c(OC)c1OC
20794 COc1cc(Cn2cnc3c(OC)nc(N)nc23)c(Br)c(OC)c1OC
20795 COc1cc(Cn2cnc3c2nc(N)[nH]c3=O)c(Cl)c(OC)c1OC
20796 COc1cc(Cn2cnc3c2nc(N)[nH]c3=S)c(Br)c(OC)c1OC
20797 COc1cc(Cn2cnc3cnc(N)nc23)c(Br)c(OC)c1OC
20798 COc1cc(Cn2cnc3c(C)nc(N)nc23)c(Cl)c(OC)c1OC
20799 COc1c(C)ncc(Cn2cnc3c(Cl)nc(N)nc23)c1C
20800 COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
20801 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1O
20802 CCOc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
20803 CC(C)Oc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
20804 COc1c(C)c[n+]([O-])c(Cn2cnc3c(Cl)nc(N)nc23)c1C
20805 COc1c(C)c(Cl)nc(Cn2cnc3c(Cl)nc(N)nc23)c1C
20806 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Cl
20807 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1Br
20808 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1I
20809 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1[N+]([O-])=O
20810 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1N
20811 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1C#N
20812 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1C
20813 CSc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
20814 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1S(C)=O
20815 Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1
20816 O=C(Nc1csc(n1)-c1ccncc1)Nc1ccccc1
20817 O=c1[nH]c2ccccc2c(=O)n1-c1csc(n1)-c1ccncc1
20818 O=c1[nH]c2ccccc2n1-c1csc(n1)-c1ccncc1
20819 O=C1Nc2ccccc2CN1c1csc(n1)-c1ccncc1
20820 O=C1Nc2ccccc2CN1c1nc(cs1)-c1ccncc1
20821 O=C1Nc2ccccc2CN1c1nc(no1)-c1ccncc1
20822 O=C1Nc2ccccc2CN1c1nc(ns1)-c1ccncc1
20823 O=C1Nc2ccccc2CN1c1ccc(s1)-c1ccncc1
20824 O=C1Nc2ccccc2CN1c1cccc(c1)-c1ccncc1
20825 Fc1cccc2NC(=O)N(Cc12)c1csc(n1)-c1ccncc1
20826 Clc1cccc2NC(=O)N(Cc12)c1csc(n1)-c1ccncc1
20827 Brc1cccc2NC(=O)N(Cc12)c1csc(n1)-c1ccncc1
20828 Cc1cccc2NC(=O)N(Cc12)c1csc(n1)-c1ccncc1
20829 COc1cccc2NC(=O)N(Cc12)c1csc(n1)-c1ccncc1
20830 Fc1ccc2NC(=O)N(Cc2c1)c1csc(n1)-c1ccncc1
20831 Cc1ccc2NC(=O)N(Cc2c1)c1csc(n1)-c1ccncc1
20832 Fc1ccc2CN(c3csc(n3)-c3ccncc3)C(=O)Nc2c1
20833 Brc1ccc2CN(c3csc(n3)-c3ccncc3)C(=O)Nc2c1
20834 O=C1Nc2cc(ccc2CN1c1csc(n1)-c1ccncc1)-c1ccccc1
20835 CN1CCN(CC1)c1cccc2NC(=O)N(Cc12)c1csc(n1)-c1ccncc1
20836 CN1CCN(CC1)c1ccc2NC(=O)N(Cc2c1)c1csc(n1)-c1ccncc1
20837 O=C1Nc2cccc(CN3CCOCC3)c2CN1c1csc(n1)-c1ccncc1
20838 O=C1Nc2cc(CN3CCOCC3)ccc2CN1c1csc(n1)-c1ccncc1
20839 O=C1Nc2ccccc2CN1c1nc(cs1)-c1cccnc1
20840 O=C1Nc2ccccc2CN1c1nc(cs1)-c1ccccn1
20841 CCc1cc(ccn1)-c1nc(cs1)N1Cc2ccccc2NC1=O
20842 O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1ccncc1
20843 COC(=O)c1cccc2[nH]c(=O)c(cc12)-c1csc(n1)-c1ccncc1
20844 OC(=O)c1cccc2[nH]c(=O)c(cc12)-c1csc(n1)-c1ccncc1
20845 CCN(CC)C(=O)c1cccc2[nH]c(=O)c(cc12)-c1csc(n1)-c1ccncc1
20846 Fc1ccc2[nH]c(=O)c(cc2c1)-c1csc(n1)-c1ccncc1
20847 Clc1ccc2[nH]c(=O)c(cc2c1)-c1csc(n1)-c1ccncc1
20848 FC(F)(F)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
20849 CCN(CCN(C)C)C(=O)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
20850 CN1CCN(CC1)C(=O)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
20851 O=C(N1CCCCC1)c1ccc2cc(-c3csc(n3)-c3ccncc3)c(=O)[nH]c2c1
20852 Oc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccccc12
20853 O=c1[nH]c2ccccc2c(-c2ccccc2)c1-c1csc(n1)-c1ccncc1
20854 Cc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccccc12
20855 Nc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccccc12
20856 Nc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccc(Cl)cc12
20857 Nc1c(-c2csc(n2)-c2ccncc2)c(=O)[nH]c2ccc(cc12)N1CCCCC1
20858 CN1CCN(CC1)c1ccc2[nH]c(=O)c(-c3csc(n3)-c3ccncc3)c(N)c2c1
20859 O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1ccccc1
20860 O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1ccsc1
20861 O=c1[nH]c2ccccc2cc1-c1csc(n1)-c1cccnc1
20862 Clc1ccccc1-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
20863 Clc1cccc(c1)-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
20864 Clc1ccc(cc1)-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
20865 Nc1ccc(cc1)-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
20866 Oc1ccc(cc1)-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
20867 COc1ccc(cc1)-c1nc(cs1)-c1cc2ccccc2[nH]c1=O
20868 O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccc2)n1
20869 O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2ccccn2)n1
20870 O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1
20871 Clc1ccc(cc1)S(=O)(=O)Cc1nc(cs1)-c1cc2ccccc2[nH]c1=O
20872 CS(=O)(=O)Cc1nc(cs1)-c1cc2ccccc2[nH]c1=O
20873 CC(C)(C)S(=O)(=O)Cc1nc(cs1)-c1cc2ccccc2[nH]c1=O
20874 O=S(Cc1nc(cs1)-c1cc2ccccc2[nH]c1=O)c1ccccc1
20875 OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
20876 CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
20877 Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
20878 COc1ccc(Cc2ccccc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
20879 CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
20880 CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
20881 CC(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1
20882 Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1
20883 CCNC(=O)c1[nH]nc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
20884 CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)C2CCCN(C)C2)cc1)-c1cc(Cl)c(O)cc1O
20885 CCNC(=O)c1[nH]nc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
20886 CCNC(=O)c1[nH]nc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O
20887 CCNC(=O)c1[nH]nc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
20888 CCNC(=O)c1[nH]nc(c1-c1ccc(CNC(=O)CC2CCCN2)cc1)-c1cc(Cl)c(O)cc1O
20889 CCNC(=O)c1[nH]nc(c1-c1ccc(CN(CCO)CCO)cc1)-c1cc(Cl)c(O)cc1O
20890 CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
20891 CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCN2CCCCC2)c1)-c1cc(Cl)c(O)cc1O
20892 CCNC(=O)c1[nH]nc(c1-c1cccc(CNCc2ccccc2C(F)(F)F)c1)-c1cc(Cl)c(O)cc1O
20893 CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCC(CO)CC2)c1)-c1cc(Cl)c(O)cc1O
20894 CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCOC)c1)-c1cc(Cl)c(O)cc1O
20895 CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
20896 CCNC(=O)c1[nH]nc(c1-c1cccc(CNCCN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
20897 CCNC(=O)c1[nH]nc(c1-c1cccc(CN(C)CCO)c1)-c1cc(Cl)c(O)cc1O
20898 CCNC(=O)c1[nH]nc(c1-c1cccc(CN2CCC[C@H]2CO)c1)-c1cc(Cl)c(O)cc1O |r|
20899 CCNC(=O)c1noc(c1-c1ccc(OC)cc1)-c1cc(Cl)c(O)cc1O
20900 CCNC(=O)c1noc(c1-c1ccc(CN2CCS(=O)(=O)CC2)cc1)-c1cc(Cl)c(O)cc1O
20901 CCNC(=O)c1noc(c1-c1ccc(CNCCS(C)(=O)=O)cc1)-c1cc(Cl)c(O)cc1O
20902 CCNC(=O)c1noc(c1-c1ccc(CN2CCN(C)CC2)cc1)-c1cc(Cl)c(O)cc1O
20903 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(Cl)c(O)cc1O
20904 CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(Cl)c(O)cc1O
20905 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(Cl)c(O)cc1O
20906 CCNC(=O)c1noc(c1-c1ccc(CN2CCC(O)CC2)cc1)-c1cc(Cl)c(O)cc1O
20907 CCNC(=O)c1noc(c1-c1ccc(CN2CCCC2)cc1)-c1cc(Cl)c(O)cc1O
20908 CCNC(=O)c1noc(c1-c1ccc(CN(C)C)cc1)-c1cc(Cl)c(O)cc1O
20909 CCNC(=O)c1noc(c1-c1cccc(CN2CCOCC2)c1)-c1cc(Cl)c(O)cc1O
20910 CCNC(=O)c1noc(c1-c1cccc(CN2CCN(C)CC2)c1)-c1cc(Cl)c(O)cc1O
20911 CCNC(=O)c1noc(c1-c1cccc(CN2CCN(CC2)C(C)=O)c1)-c1cc(Cl)c(O)cc1O
20912 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2ccccc2)c(O)cc1O
20913 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O
20914 CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(CC)c(O)cc1O
20915 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
20916 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(CCc2ccc(F)cc2)c(O)cc1O
20917 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CCc2cccc(F)c2)c(O)cc1O
20918 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
20919 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1
20920 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1F
20921 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccccc1C
20922 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)-c1ccc(F)cc1
20923 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC(C)C)c(O)cc1O
20924 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
20925 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(c(O)cc1O)C(C)(C)C
20926 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
20927 CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O
20928 CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O
20929 CCNCc1ccc(cc1)-c1c(noc1-c1cc(c(O)cc1O)-c1ccccc1)C(=O)NCC
20930 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(OC)cc1O
20931 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1OC
20932 CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(OC)cc1OC
20933 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
20934 CCC(CC)Oc1cc(CC)nc(Oc2c(C)cc(C)cc2C)c1C
20935 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1CC
20936 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1
20937 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(=O)OC
20938 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1[N+]([O-])=O
20939 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1N
20940 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1N(C)C
20941 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1Br
20942 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C(O)=O
20943 CCC(CC)Oc1c(C)c(C)nc(Oc2c(C)cc(C)cc2C)c1C
20944 CCC(CC)Oc1c(C)c(Oc2c(C)cc(C)cc2C)nc(C)c1CC
20945 CCC(CC)Oc1cc(C)nc(Oc2c(C)cccc2C)c1C
20946 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(CC)cc2C)c1C
20947 CCCc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1
20948 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(F)cc2C)c1C
20949 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
20950 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(Br)cc2C)c1C
20951 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(I)cc2C)c1C
20952 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(cc2C)C(N)=O)c1C
20953 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(O)cc2C)c1C
20954 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC)cc2C)c1C
20955 CCOc1cc(C)c(Oc2nc(C)cc(OC(CC)CC)c2C)c(C)c1
20956 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC(C)C)cc2C)c1C
20957 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C=O)cc2C)c1C
20958 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(CO)cc2C)c1C
20959 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(COC)cc2C)c1C
20960 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(cc2C)C(C)(C)O)c1C
20961 CCC(C)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
20962 CCC(COC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
20963 Cc1cc(C)c(Oc2nc(C)cc(OC3CCOC3)c2C)c(C)c1
20964 CC\C(Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C)=C/C
20965 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C
20966 CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C
20967 CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
20968 CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Br)cc2C)c1C
20969 CC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC |r|
20970 CC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)NC |r|
20971 CCC(CC)Oc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C
20972 CCC(CC)Nc1cc(C)nc(Nc2c(C)cc(C)cc2C)c1C
20973 CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C
20974 CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(OC)cc1C
20975 CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(OC)cc1C
20976 CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(OC)cc1C
20977 CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC
20978 CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(OC)nc1OC
20979 CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(OC)nc1OC
20980 CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(OC)nc1OC
20981 CCCN(CCOC)c1cc(C)nc2N(CC(=O)Nc12)c1cc(OC)c(OC)cc1C
20982 CCCN(CCOC)c1cc(C)nc2N(CCNc12)c1cc(OC)c(OC)cc1C
20983 CCCN(CCOC)c1nc(C)nc2N(CC(=O)Nc12)c1cc(OC)c(OC)cc1C
20984 CCCN(CCOC)c1nc(C)nc2N(CCNc12)c1cc(OC)c(OC)cc1C
20985 CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C#N
20986 CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(cc1C)C#N
20987 CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C#N
20988 CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(cc1C)C#N
20989 CCCCN(CC)c1cc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C(C)=O
20990 CCCCN(CC)c1cc(C)nc2N(CCNc12)c1ccc(cc1C)C(C)=O
20991 CCCCN(CC)c1nc(C)nc2N(CC(=O)Nc12)c1ccc(cc1C)C(C)=O
20992 CCCCN(CC)c1nc(C)nc2N(CCNc12)c1ccc(cc1C)C(C)=O
20993 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
20995 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
20996 [#6]-[#8]-c1ccc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c2ccc(cc2)-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccccc2)cc1 |r|
20997 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
20998 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
20999 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21000 [#6]-[#8]-c1ccc(-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c2ccc(cc2)-c2ccccc2)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccccc2)-[#6](=O)-[#7]-[#6]-[#6]-c2ccccc2)cc1 |r|
21001 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21002 [#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21003 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#7+])-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21004 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8-])=O)-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21005 [#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21006 [#6]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r|
21007 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21008 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
21009 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
21010 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
21011 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1
21012 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21013 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21014 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
21015 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
21016 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
21017 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21018 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21019 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21020 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21021 CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21022 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21023 CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21024 CCCC[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
21025 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
21026 CCN(CC)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:5.4,t:12|
21027 CCN(CC)C=C1C2C(=O)C(=O)C3=C([C@H](O)C[C@]4(C)[C@@H](O)CCC34)[C@@]2(C)[C@@H](COC)OC1=O |r,w:5.4,t:12|
21028 CCNC=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:3.2,t:10|
21029 COC[C@H]1OC(=O)C(=CN(CCO)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
21030 COC[C@H]1OC(=O)C(=CN(C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:20|
21031 COC[C@H]1OC(=O)C(=CNC(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:19|
21032 CCCCN(C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:6.5,t:13|
21033 COC[C@H]1OC(=O)C(=CN2CCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:20|
21034 COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CC[C@H](O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |r,t:16|
21035 COC[C@H]1OC(=O)C(=CN(CC=C)CC=C)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)C3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21036 COC[C@H]1OC(=O)C(=CN(C)CCCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
21037 COC[C@H]1OC(=O)C(=CNCCCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21038 COC[C@H]1OC(=O)C(=CN(C)CCCN(C)C)C2C(=O)C(=O)C3=C([C@H](O)C[C@]4(C)[C@@H](O)CCC34)[C@@]12C |r,w:8.8,t:22|
21039 COC[C@H]1OC(=O)C(=CN(CCN(C)C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:24|
21040 COC[C@H]1OC(=O)C(=CN(CCN(C)C)Cc2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
21041 COC[C@H]1OC(=O)C(=CN(C)CCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21042 CCN(CCN(C)C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:8.7,t:15|
21043 CCN(CCCN(C)C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:9.8,t:16|
21044 CCN(CC)CCN(C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:9.8,t:16|
21045 CCN(CC)CCN(CC)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:10.9,t:17|
21046 COC[C@H]1OC(=O)C(=CN(CCCN(C)C)CCCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
21047 COC[C@H]1OC(=O)C(=CN(C)CCCN2CCN(C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
21048 COC[C@H]1OC(=O)C(=CN(C)CCCN2CCOCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:26|
21049 COC[C@H]1OC(=O)C(=CN(C)CCCN2CCN(CC2)c2ccc(OC)cc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:35|
21050 COC[C@H]1OC(=O)C(=CN(C)N2CCC(C)C2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:23|
21051 COC[C@H]1OC(=O)C(=CN(C)CC(=O)OC(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:24|
21052 COC[C@H]1OC(=O)C(=CN(C)CCCC(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
21053 COC[C@H]1OC(=O)C(=CN(CCO)CCO)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21054 COC[C@H]1OC(=O)C(=CN(C)CC(O)CO)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21055 COC[C@H]1OC(=O)C(=CN(CCC#N)Cc2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
21056 COC[C@H]1OC(=O)C(=CN2CCN(CC2)C2CCN(C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:29|
21057 COC[C@H]1OC(=O)C(=CN2CCN(CC2)C2CCCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
21058 COC[C@H]1OC(=O)C(=CN2CCN(Cc3ccccc3)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:29|
21059 COC[C@H]1OC(=O)C(=CN2CCN(CC2)c2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
21060 COC[C@H]1OC(=O)C(=CN2CCN(C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
21061 COC[C@H]1OC(=O)C(=CN2CCN(CCCN(C)C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
21062 COC[C@H]1OC(=O)C(=CN2CCN(CCN3CCOCC3)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:30|
21063 COC[C@H]1OC(=O)C(=CN2CCN(CCCN3CCOCC3)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:31|
21064 COC[C@H]1OC(=O)C(=CN2CCC(CC2)c2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
21065 COC[C@H]1OC(=O)C(=CN2CCC(CC2)C(=O)OC)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:25|
21066 COC[C@H]1OC(=O)C(=CN2CCC(CC2)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:24|
21067 COC[C@H]1OC(=O)C(=CN2CCC(CC2)N2CCCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
21068 COC[C@H]1OC(=O)C(=CN2CCOCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21069 COC[C@H]1OC(=O)C(=CN2CCC(=O)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
21070 COC[C@H]1OC(=O)C(=CN2CCCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
21071 Nc1noc2cccc(-c3ccc(N)cc3)c12
21072 NC(=O)Nc1ccc(cc1)-c1cccc2onc(N)c12
21073 Nc1noc2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
21074 Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12
21075 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
21076 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
21077 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3snc(N)c23)c1
21078 Nc1nsc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
21080 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
21081 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12
21082 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12
21083 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4C(F)(F)F)cc3)c12
21084 Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
21085 COc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
21086 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
21087 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
21088 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
21089 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
21090 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
21091 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)c12
21092 COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1
21093 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
21094 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)c12
21095 Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
21096 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
21097 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1F
21098 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(c4)C(F)(F)F)cc3)c12
21099 Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)c12
21100 Nc1noc2cccc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c12
21101 COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
21102 Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
21103 COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12
21104 COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
21105 COc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c2c(N)noc12
21106 COc1ccc(-c2ccc(NC(=O)Nc3cccc(Br)c3)cc2)c2c(N)noc12
21107 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(C)c3onc(N)c23)c1
21108 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(F)c3onc(N)c23)c1
21109 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OC(F)(F)F)c3onc(N)c23)c1
21110 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(CN3CCOCC3)c3onc(N)c23)c1
21111 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3onc(N)c23)c1
21114 OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
21115 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(CCc2ccccc2)CC1
21116 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)NC1CCN(CCc2ccccc2)CC1
21117 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
21118 CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
21119 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
21120 CCC(=O)N(C1CCN(CC1)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cc(C)c(O)c(C)c1)c1ccccc1
21121 CCC(=O)N(C1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)c1ccccc1
21122 CCC(=O)N(C1CCN(CC1)C(=O)CCC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1
21123 C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O
21124 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
21125 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |r,w:15.15|
21126 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O |w:15.15|
21127 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(O)=O
21128 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC=C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC=C)C(O)=O
21129 N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O
21130 CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)Cc1ccccc1
21131 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21132 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21133 CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21134 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21135 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21136 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21137 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21138 CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21139 CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21140 CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21141 CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21142 CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21143 CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21144 CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21145 CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21146 CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21147 CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
21149 Brc1ccc(cc1)-n1c(SCc2ccccc2)nnc1-c1ccncc1
21150 FC(F)(F)c1cc(=O)oc2cc(OCc3ccccc3)ccc12
21151 CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccncc1
21152 CCOc1ccc(NC(=O)c2ccc(cc2)-n2cnnn2)cc1
21153 CCOC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccno1
21154 COc1ccc(cc1)-c1cc(CNS(=O)(=O)c2ccccc2)on1
21155 Clc1ccc(cc1)-n1cc(COC(=O)Nc2ccccc2)nn1
21156 CS(=O)(=O)Cc1cc(nc(n1)-c1ccccc1)N1CCCC1
21157 CS(=O)(=O)Cc1cc(nc(n1)-c1ccncc1)N1CCCC1
21158 Cc1cnc(CNc2cc(nc(n2)-c2ccccn2)-c2ccccc2)nc1
21159 Cc1cnc(CNc2cc(nc(n2)-c2cccnc2)-c2ccccc2)nc1
21160 Cc1cnc(CNc2cc(nc(n2)-c2ccncc2)-c2ccccc2)nc1
21161 CS(=O)(=O)c1ccc(Cn2cc(cn2)-c2ccncc2)cc1
21162 Clc1ccc(Cn2cc(cn2)-c2ccncc2)c(Cl)c1
21163 Cc1cc(cc(C)n1)C(C)(C)NC(=O)C(Br)C(C)(C)C
21164 COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
21165 Clc1ccc(c(Cl)c1)C1(Cn2cncn2)CC(Br)CO1
21166 CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
21167 CS(=O)(=O)OCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
21168 COC(=O)[C@H](Cc1cnc[nH]1)NCc1ccccc1 |r|
21169 OC(Cn1cccn1)(c1ccc(F)cc1F)n1cncn1
21170 Clc1ccc(OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
21171 COc1ccc2c(cc(=O)oc2c1)C(F)(F)F
21172 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2cccn2)CC1
21173 CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
21174 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-c2nccs2)CC1
21175 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccco2)-n2nc(C)cc2C)CC1
21176 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2cccn2)CC1
21177 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nccc2C)CC1
21178 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21179 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-c2nccs2)CC1
21180 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2cccs2)-c2ccccn2)CC1
21181 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2cccn2)-n2cccn2)CC1
21182 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2nccs2)CC1
21183 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2cnco2)CC1
21184 CN1CCN(CC(=O)Nc2cc(nc(n2)-n2nc(C)cc2C)-c2ocnc2C)CC1
21185 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2cccn2)CC1
21186 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2cccn2)CC1
21187 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccccn2)-n2nc(C)cc2C)CC1
21188 CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1
21190 Nc1nc(NCCc2ccc(O)cc2)nc2nc(nn12)-c1ccco1
21192 CCN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21193 CN1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21194 CN(C)C[C@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21195 CN(C)C[C@@H]1CCCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21196 CN(C)CC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21197 CC(=O)N1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21198 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-c1ccc(C)o1
21199 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCOCC2)nc(n1)-c1ccc(C)o1
21200 COC1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21201 CN1CCC(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1
21202 Cc1cc(C)n(n1)-c1cc(NC(=O)CN2CCCC2)nc(n1)-c1ccc(C)o1
21203 CN(C)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21204 CN(C)[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21205 CC(C)O[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21206 CCN[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21207 CCN[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21208 CCN(CC)[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21209 CN(C)C[C@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21210 CN(C)C[C@@H]1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21211 CN(C)CCC(=O)Nc1cc(nc(n1)-c1ccc(C)o1)-n1nc(C)cc1C
21212 CN(C)[C@H]1CCN(CCC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)C1 |r|
21213 c1ccc(nc1)-c1nnc([nH]1)-c1ccccn1
21214 Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
21215 c1ccc2[nH]c(nc2c1)-c1cnc2ccccc2n1
21216 CCSc1cccc2nc([nH]c12)-c1cnc2ccccc2n1
21217 Cc1cccc2[nH]c(nc12)-c1cnc2ccccc2n1
21218 Cc1nc2c([nH]1)c1nc(C)[nH]c1c1nc(C)[nH]c21
21219 CC1CSc2nc3nn[nH]c3c(=O)n12
21220 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
21221 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
21222 COc1cc(NC(C)=O)nc(SC)n1
21223 CCC(=O)Nc1cc(OC)nc(SC)n1
21224 CCCOc1cc(NC(C)=O)nc(SC)n1
21225 CCCOc1cc(NC(=O)CC)nc(SC)n1
21226 CCCSc1nc(NC(C)=O)cc(OC)n1
21227 CCCSc1nc(NC(=O)CC)cc(OC)n1
21228 CCCOc1cc(NC(C)=O)nc(SCCC)n1
21229 CCCOc1cc(NC(=O)CC)nc(SCCC)n1
21230 CCCOc1cc(NC(C)=O)nc(SCc2ccccc2)n1
21231 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2)n1
21232 CCCSc1nc(NC(C)=O)cc(OCc2ccccc2Cl)n1
21233 CCCSc1nc(NC(C)=O)cc(OCc2cccc(Cl)c2)n1
21234 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
21235 CCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2Cl)n1
21236 CCCSc1nc(NC(C)=O)cc(OCc2ccc(OC)cc2)n1
21237 CCCSc1nc(NC(C)=O)cc(OCCc2ccccc2)n1
21238 CCCSc1nc(NC(C)=O)cc(OCC2CCCCC2)n1
21239 CCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1
21240 CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1
21242 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)cc3)ncnc12
21243 O=C(NN1CCCCC1)c1cc(-n2cccc2)n(n1)-c1ccccc1
21244 CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1
21245 Cc1c(nn(c1-n1cccc1)-c1ccccc1)C(=O)NN1CCCCC1
21246 O=C(NN1CCCCC1)c1nn(c(c1C#N)-n1cccc1)-c1ccccc1
21247 Clc1ccc(CNC(=O)c2nn(c(c2C#N)-n2cccc2)-c2ccccc2)cc1Cl
21248 Clc1ccc(cc1)-n1nc(cc1-n1cccc1)C(=O)NN1CCCCC1
21249 Clc1ccc(cc1)-n1nc(cc1-n1cccc1)C(=O)NC1CCCCC1
21250 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
21251 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1)C(=O)NCC1CCCCC1
21252 Clc1ccc(cc1)-n1nc(C(=O)NN2CCCCC2)c(C#N)c1-n1cccc1
21253 Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1
21254 Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1
21255 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
21256 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
21257 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1
21258 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.54,9.24,;2.41,10.51,;3.94,10.4,;4.61,9.01,;3.74,7.74,)|
21259 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;3.74,7.74,;4.28,6.3,;5.8,6.04,;6.78,7.23,;8.3,6.98,;6.24,8.67,;7.22,9.86,;4.72,8.93,)|
21260 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.04,.65,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.21,7.85,;1.52,9.23,;2.37,10.52,;3.91,10.42,;4.59,9.04,;3.74,7.76,)|
21261 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NN1CCCCC1
21262 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
21263 Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1
21264 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NN1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.03,6.61,;5.34,7.42,;5.3,8.95,;3.95,9.69,;2.64,8.89,)|
21265 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.22,7.35,;5.06,6.06,;6.6,6.15,;7.29,7.52,;8.83,7.61,;6.45,8.81,;7.14,10.19,;4.91,8.72,)|
21266 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 |(-5.72,5.81,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.18,.56,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;.92,-1.6,;-.42,.71,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;3.95,6.49,;5.34,7.17,;5.44,8.7,;4.16,9.56,;2.78,8.89,)|
21267 Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCCCC1
21268 Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCOCC1
21269 Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1
21270 Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NC1CCCCC1
21271 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NN1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.68,7.35,;4.06,6.67,;5.34,7.52,;5.24,9.06,;3.86,9.74,;2.57,8.89,)|
21272 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.77,6.35,;6.31,6.38,;7.05,7.73,;8.59,7.76,;6.25,9.05,;7,10.4,;4.71,9.02,)|
21273 Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NC1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
21274 Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-1.75,1.48,;-3.08,.71,;-4.42,1.48,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
21275 Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.81,6.38,;6.35,6.46,;7.05,7.83,;8.58,7.92,;6.21,9.12,;6.9,10.5,;4.67,9.04,)|
21276 Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.14,6.02,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-4.66,.62,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
21277 Cc1ccc(C)n1-c1c(C)c(nn1-c1c(Cl)cc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(-5.14,6.02,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-4.66,.62,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)|
21278 Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
21279 Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
21280 Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|
21281 Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r|
21282 CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
21283 CN1CCCCC1Cn1cc(C(=O)c2cc(ccc2I)[N+]([O-])=O)c2ccccc12
21284 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccccc23)C1(C)C
21285 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(F)c(F)c(F)c(F)c23)C1(C)C
21286 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(F)cc23)C1(C)C
21287 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Cl)cc23)C1(C)C
21288 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C
21289 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Cl)ccc23)C1(C)C
21290 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(Br)ccc23)C1(C)C
21291 Cc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
21292 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C(F)(F)F)C1(C)C
21293 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)S(C)(=O)=O)C1(C)C
21294 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C
21295 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C
21296 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)ccc23)C1(C)C
21297 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(O)cccc23)C1(C)C
21298 COc1cccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12
21299 COc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
21300 COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
21301 COc1cccc2c(cn(CC3CCOCC3)c12)C(=O)C1C(C)(C)C1(C)C
21302 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(OCc4ccccc4)c23)C1(C)C
21303 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
21304 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
21305 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(OCc4ccccc4)cccc23)C1(C)C
21306 COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1OCc1ccccc1
21307 COc1cc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2cc1O
21308 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C
21309 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4OCOc4cc23)C1(C)C
21310 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(N)cc23)C1(C)C
21311 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccccc23)C1(C)C
21312 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(O)cc23)C1(C)C
21313 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(O)ccc23)C1(C)C
21314 COc1ccc2n(CCN3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
21315 COc1ccc2c(cn(CCN3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
21316 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3ccc(OCc4ccccc4)cc23)C1(C)C
21317 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C
21318 Cc1c(C(=O)C2C(C)(C)C2(C)C)c2ccccc2n1CCN1CCOCC1
21319 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc([N+]([O-])=O)c23)C1(C)C
21320 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(N)c23)C1(C)C
21321 CC(=O)Nc1cccc2n(CCN3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c12
21322 CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cccc(NS(C)(=O)=O)c23)C1(C)C
21323 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCO)cc23)C1(C)C
21324 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(OCCCCBr)cc23)C1(C)C
21325 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)C#N)C1(C)C
21326 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CN)cc23)C1(C)C
21327 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(CO)cc23)C1(C)C
21328 COCc1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
21329 COC(=O)c1ccc2n(CC3CCOCC3)cc(C(=O)C3C(C)(C)C3(C)C)c2c1
21330 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(cc23)-c2ccccc2)C1(C)C
21331 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C
21332 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CN)ccc23)C1(C)C
21333 COC(=O)c1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
21334 CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)-c2ccccc2)C1(C)C
21335 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N |r|
21336 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C(O)=O |r|
21337 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-] |r|
21338 Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
21339 Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
21340 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc(=O)[nH]c1=O |r|
21341 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
21342 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12|
21343 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
21344 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1I
21345 NCCc1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1
21346 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
21347 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1
21348 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(I)cc1
21349 Cc1ccc(cc1)S(=O)(=O)n1cc(CCN)c2ccccc12
21350 COc1ccc(cc1)S(=O)(=O)n1cc(CCN)c2ccccc12
21351 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
21352 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1
21353 COc1ccc(cc1OC)S(=O)(=O)n1cc(CCN)c2ccccc12
21354 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)s1
21355 NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)s1
21356 NCCc1cn(c2ccccc12)S(=O)(=O)c1cc(Cl)c(Cl)s1
21357 Cc1nc(N)sc1S(=O)(=O)n1cc(CCN)c2ccccc12
21358 NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12
21360 CCOc1ccc2nc3ccc(=O)cc3oc2c1
21361 CC[C@]1(NC(=O)N(C)C1=O)c1ccccc1
21362 CCc1cccc2cc(oc12)C(O)CNC(C)(C)C
21363 Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:6|
21364 NC(N)=NN=Cc1c[nH]c2ccc(Br)cc12 |w:5.5,(2.73,6.82,;1.96,8.16,;2.73,9.49,;.42,8.16,;-.35,6.82,;-1.86,6.5,;-2.34,5.04,;-1.43,3.79,;-2.34,2.55,;-3.8,3.02,;-5.13,2.25,;-6.47,3.02,;-6.47,4.56,;-7.8,5.33,;-5.13,5.33,;-3.8,4.56,)|
21365 [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |w:2.2|
21366 CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc(F)c1
21367 CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21368 COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21369 Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21370 CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21371 Oc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21372 O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
21373 [O-][N+](=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21374 Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21375 O=C(CCCCCN1CCN(CC1)c1ccccc1C#N)NC1CCCc2ccccc12
21376 NC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21377 CS(=O)(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21378 CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21379 CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21380 CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21381 CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21382 CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21383 O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NC1CCCc2ccccc12
21384 CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21385 CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21386 Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21387 CC(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21388 CS(=O)(=O)Nc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21389 Fc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21390 O=C(CCCCCN1CCN(CC1)c1ccccn1)NC1CCCc2ccccc12
21391 [O-][n+]1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
21392 NCCc1c[nH]c2ccc(cc12)C(N)=O
21393 CCCN(CCC)C1CCc2cccc(O)c2C1
21395 Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
21397 Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
21398 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
21400 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(C)(C)CC1 |r|
21401 COC1(Cc2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21402 CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](N=[O+]2)c2ccccc2)CC1 |c:45|
21403 CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC2(C[C-](Cc3ccccc3)N=[O+]2)CC1 |c:53|
21404 CC1OC2(CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)N(Cc2ccccc2)C1=O |r|
21405 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(F)cc1 |r|
21406 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2)CC1 |r|
21407 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1 |r|
21408 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1 |r|
21409 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccccc1 |r|
21410 COC1(CC(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21411 COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21412 CCCCC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC |r|
21413 COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21414 COC1(Cc2ccccc2Cl)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21415 COC1(Cc2cccc(Cl)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21416 COC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21417 COC1(Cc2ccccc2F)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21418 COC1(Cc2ccccc2C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21419 COc1ccccc1CC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC |r|
21420 COC1(Cc2ccccc2Br)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21421 COC1(Cc2ccccc2-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21422 COC1(Cc2ccc(cc2)-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21423 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1F |r|
21424 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1Cl |r|
21425 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r|
21426 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F |r|
21427 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(cc1)C(F)(F)F |r|
21428 [#6]-[#8]-c1ccccc1\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccc(cc1)-[#6](=O)-[#7]S(=O)(=O)c1ccc(-[#7]-[#6@H](-[#6]-[#6]-[#7](-[#6])-[#6])-[#6]-[#16]-c2ccccc2)c(c1)-[#7+](-[#8-])=O |r|
21429 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C#N |r|
21430 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccn1 |r|
21431 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1cccnc1 |r|
21432 [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1-c1ccccc1 |r|
21433 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1 |r|
21434 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 |r|
21435 COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21436 CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21437 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2S(C)(=O)=O)CC1 |r|
21438 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1 |r|
21439 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1 |r|
21440 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1 |r|
21441 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1 |r|
21442 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1 |r|
21443 COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21444 COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r|
21445 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1 |r|
21446 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1 |r|
21447 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r|
21448 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1 |r|
21449 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1 |r|
21450 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)C(F)(F)F)CC1 |r|
21451 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)S(C)(=O)=O)CC1 |r|
21452 OC(=O)C(Cc1ccccc1)CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1 |t:16|
21454 CC(C)CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O |t:9|
21455 CC(CP(O)(O)C1=CCCN1C(=O)OCc1ccccc1)C(O)=O |t:6|
21456 CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
21457 OC(=O)C(Cc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
21458 CC(C)CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
21459 CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O
21460 OC(=O)C(Cc1ccccc1)CP(O)(O)C(=N)Cc1ccccc1
21461 CC(C)CC(=N)P(O)(O)CC(Cc1ccccc1)C(O)=O
21462 OC(=O)C(Cc1ccccc1)CP(O)(O)C1=NCCC1 |t:16|
21463 CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:11|
21464 CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:14|
21465 CC(=O)NC(CCCCN)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:15|
21466 CC(=O)NC(CCC(O)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:15|
21467 CC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:19|
21468 CC(=O)NC(Cc1ccccc1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:18|
21469 CC(C)C(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:13|
21470 CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1ccccc1)C(O)=O |c:17|
21471 CC(C)CC(NC(C)=O)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
21472 CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1ccccc1)C(O)=O
21473 CC(C)CC(NC(C)=O)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O |c:14|
21474 CC(=O)NC(Cc1cnc[nH]1)C(=O)N1CCC=C1P(O)(O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O |c:17|
21475 CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(C)=O)P(O)(=O)CC(Cc1cc(no1)-c1ccccc1)C(O)=O
21477 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccco1
21478 CC[C@H](N[C@@H](Cc1cncn1Cc1ccccc1)C(O)=O)C(O)=O |r|
21479 OC(=O)[C@H](Cc1cncn1Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O |r|
21480 CC(C)C[C@H](N[C@@H](Cc1cncn1CC1CCCCC1)C(O)=O)C(O)=O |r|
21481 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(cc1)[N+]([O-])=O)C(O)=O)C(O)=O |r|
21482 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(Cl)cc1)C(O)=O)C(O)=O |r|
21483 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(OC(F)(F)F)cc1)C(O)=O)C(O)=O |r|
21484 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(C)cc1)C(O)=O)C(O)=O |r|
21485 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccccc1C)C(O)=O)C(O)=O |r|
21486 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cccc(C)c1)C(O)=O)C(O)=O |r|
21487 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc(C)c(C)c1)C(O)=O)C(O)=O |r|
21488 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(C)cc(C)c1)C(O)=O)C(O)=O |r|
21489 CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O |r|
21491 CC(C)C[C@H](N[C@@H](Cc1cncn1C(C)(C)C1CCCCC1)C(O)=O)C(O)=O |r|
21492 c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
21493 Clc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(1.78,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)|
21494 COc1cc(OC)c2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-7.56,5.09,;-6.23,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-3.56,1.24,;-2.22,.47,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)|
21495 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2c(F)cccc12 |(5.84,8,;4.51,7.21,;4.53,5.67,;3.21,4.89,;1.86,5.64,;1.84,7.18,;3.17,7.97,;.53,7.99,;.41,9.52,;-1.09,9.88,;-2.09,11.05,;-3.51,10.46,;-3.39,8.93,;-1.89,8.57,;-.89,7.4,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-3.56,1.24,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,)|
21496 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(Br)cc12 |(5.84,8,;4.51,7.21,;4.53,5.67,;3.21,4.89,;1.86,5.64,;1.84,7.18,;3.17,7.97,;.53,7.99,;.41,9.52,;-1.09,9.88,;-2.09,11.05,;-3.51,10.46,;-3.39,8.93,;-1.89,8.57,;-.89,7.4,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-4.89,3.55,;-4.89,5.09,;-6.23,5.86,;-3.56,5.86,;-2.22,5.09,)|
21497 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(OC(F)(F)F)cc12 |(5.84,8,;4.51,7.21,;4.53,5.67,;3.21,4.89,;1.86,5.64,;1.84,7.18,;3.17,7.97,;.53,7.99,;.41,9.52,;-1.09,9.88,;-2.09,11.05,;-3.51,10.46,;-3.39,8.93,;-1.89,8.57,;-.89,7.4,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-4.89,3.55,;-4.89,5.09,;-6.23,5.86,;-7.56,5.09,;-8.89,5.86,;-8.89,4.32,;-7.56,3.55,;-3.56,5.86,;-2.22,5.09,)|
21498 COC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-7.96,3.6,;-7.56,5.09,;-6.23,5.86,;-6.23,7.4,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)|
21499 CN(C)CCNC(=O)c1ccc2nccc(-c3c4CCCn4nc3-c3cccc(C)n3)c2c1 |(-12.89,5.09,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-8.89,5.86,;-7.56,5.09,;-6.23,5.86,;-6.23,7.4,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;5.84,8,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,)|
21500 COc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(3.11,3.55,;1.78,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)|
21501 CCSc1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(4.44,2.78,;3.11,3.55,;1.78,2.78,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)|
21502 C1CCN(C1)c1cc(-c2c3CCCn3nc2-c2ccccn2)c2ccccc2n1 |(3.16,.7,;4.11,1.91,;3.26,3.19,;1.78,2.78,;1.71,1.24,;.44,3.55,;.44,5.09,;-.89,5.86,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-2.22,5.09,;-3.56,5.86,;-4.89,5.09,;-4.89,3.55,;-3.56,2.78,;-2.22,3.55,;-.89,2.78,)|
21503 Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21504 CN1CCN(CCCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-12.89,-4.15,;-11.56,-3.38,;-11.56,-1.84,;-10.23,-1.07,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-8.89,-3.38,;-10.23,-4.15,)|
21505 ClCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21506 CN(C)CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-8.89,-1.84,;-7.56,-1.07,;-6.23,-1.84,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21507 CCN(C)CCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-6.23,-1.84,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21508 CN1CCN(CCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-7.56,-5.69,;-7.56,-4.15,;-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-6.23,-1.84,;-6.23,-3.38,)|
21509 C(CN1CCOCC1)Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-6.23,1.24,;-7.56,.47,;-7.56,-1.07,;-8.89,-1.84,;-8.89,-3.38,;-7.56,-4.15,;-6.23,-3.38,;-6.23,-1.84,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21510 CN(C)CCCCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-4.89,-5.69,;-4.89,-4.15,;-3.56,-3.38,;-6.23,-3.38,;-6.23,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21511 CN1CCN(CC1)C(=O)COc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-7.56,-5.69,;-7.56,-4.15,;-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-6.23,-1.84,;-6.23,-3.38,;-7.56,.47,;-8.89,1.24,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21512 C(Oc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1)C1CCCO1 |(-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,.47,;-7.43,-1.07,;-8.85,-1.67,;-9.86,-.5,;-9.06,.82,)|
21513 CN1CCCC1CCCOc1ccc2c(ccnc2c1)-c1c2CCCn2nc1-c1ccccn1 |(-11.3,-.52,;-10.43,-1.79,;-10.96,-3.24,;-9.74,-4.19,;-8.46,-3.32,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,)|
21514 N#Cc1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-12.89,6.63,;-11.56,5.86,;-10.23,5.09,;-10.23,3.55,;-8.89,2.78,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,5.09,;-8.89,5.86,)|
21515 NC(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-12.89,5.09,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-10.23,3.55,;-8.89,2.78,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,5.09,;-8.89,5.86,)|
21516 OC(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-12.89,5.09,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-10.23,3.55,;-8.89,2.78,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,5.09,;-8.89,5.86,)|
21517 CN(C)C(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-14.23,5.86,;-12.89,5.09,;-12.89,3.55,;-11.56,5.86,;-11.56,7.4,;-10.23,5.09,;-10.23,3.55,;-8.89,2.78,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-7.56,5.09,;-8.89,5.86,)|
21518 CN(C)Cc1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1 |(-14.23,5.86,;-12.89,5.09,;-12.89,3.55,;-11.56,5.86,;-10.23,5.09,;-8.89,5.86,;-7.56,5.09,;-7.56,3.55,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-8.89,2.78,;-10.23,3.55,)|
21519 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(N)=S)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21521 CNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O
21522 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCC=C)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21523 CCCCNC(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O
21524 CCN(CC)C(=S)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]2CO)[C@@H]1O
21525 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21526 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCCCO)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21527 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)Nc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21528 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCc3ccccc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21529 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NCc3cccnc3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21530 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)NC3CCCCC3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21531 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)N3CCOCC3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21532 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=S)N[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](OC)O[C@@H]4CO)[C@@H]3O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21533 CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
21534 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OS(O)(=O)=O
21535 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(O)=O
21536 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(O)(O)=O
21537 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OP(O)(=O)OCc1ccccc1
21538 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OC(C)=O
21539 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1OCc1ccccc1
21540 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1O
21541 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
21542 CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OS(O)(=O)=O
21543 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12
21544 CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O |r|
21545 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc12
21546 COc1ccc2N(CC(O)=O)C(=O)C3(CC(=O)N(Cc4ccccc4)C3=O)c2c1
21547 CN(C)C(=O)CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(F)cc21
21548 CN(C)C(=O)CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21
21549 COCCOCN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(F)cc21
21550 OC(=O)CCCN1C(=O)C2(CC(=O)N(CC=C)C2=O)c2cc(Cl)ccc12
21551 CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12
21552 CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21
21553 COCCN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21
21554 OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12
21555 CN1C(=O)CC2(C1=O)C(=O)N(CCCC(O)=O)c1ccc(F)cc21
21556 OC(=O)CCCN1C(=O)C2(CC(=O)N(CC=C)C2=O)c2cc(F)ccc12
21557 OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc12
21558 CCOC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12
21559 OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12
21560 COc1ccc(CN2C(=O)CC3(C(=O)N(CCCC(O)=O)c4ccc(Cl)cc34)C2=O)cc1
21561 OC(=O)CCCN1C(=O)C2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12
21562 Clc1ccc2N(Cc3nnn[nH]3)C(=O)C3(CC(=O)N(Cc4ccccc4)C3=O)c2c1
21563 OC(=O)CN1C(=O)C2(CC(=O)N(CCc3ccccc3)C2=O)c2cc(Cl)ccc12
21564 OC(=O)CN1C(=O)C2(CC(=O)N(C\C=C\c3ccccc3)C2=O)c2cc(Cl)ccc12
21565 CC(N1C(=O)CC2(C(=O)N(CC(O)=O)c3ccc(Cl)cc23)C1=O)c1ccccc1
21566 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12
21567 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(F)cc3)C2=O)c2cc(Cl)ccc12
21568 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
21569 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12
21570 COc1ccccc1CN1C(=O)CC2(C(=O)N(CC(O)=O)c3ccc(Cl)cc23)C1=O
21571 COc1cccc(CN2C(=O)CC3(C(=O)N(CC(O)=O)c4ccc(Cl)cc34)C2=O)c1
21572 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(Oc4ccccc4)cc3)C2=O)c2cc(Cl)ccc12
21573 CS(=O)(=O)c1ccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cc1
21574 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc12
21575 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc12
21576 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(F)c3)C2=O)c2cc(Cl)ccc12
21577 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccc(F)c(F)c3)C2=O)c2cc(Cl)ccc12
21578 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)ccc3Cl)C2=O)c2cc(Cl)ccc12
21579 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12
21580 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(Cl)cc(Cl)c3)C2=O)c2cc(Cl)ccc12
21581 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3cc(F)cc(Cl)c3)C2=O)c2cc(Cl)ccc12
21582 COc1ccc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cc1F
21583 Cn1nnc2cc(CN3C(=O)CC4(C3=O)C(=O)N(CC(O)=O)c3ccc(Cl)cc43)ccc12
21584 Cc1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1
21585 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12
21586 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3csc(n3)-c3ccc(Cl)cc3)C2=O)c2cc(Cl)ccc12
21587 COc1ccc(cc1)-c1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)no1
21588 CC(C)(C)c1nc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)no1
21589 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ncco3)C2=O)c2cc(Cl)ccc12
21590 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3nnc(s3)C3CC3)C2=O)c2cc(Cl)ccc12
21591 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccoc3)C2=O)c2cc(Cl)ccc12
21592 OC(=O)CN1C(=O)C2(CC(=O)N(Cc3c[nH]c4ccccc34)C2=O)c2cc(Cl)ccc12
21593 Cc1noc(C)c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21
21594 Cc1onc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
21595 Cc1noc(c1CN1C(=O)CC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
21596 COc1c(C)cnc(CN2C(=O)CC3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)c1C
21597 OC(=O)CN1C(=O)C2(CN(Cc3ccccc3)C(=O)C2)c2cc(Cl)ccc12
21598 OC(=O)CN1C(=O)C2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12
21599 Cc1noc(c1CN1CC2(CC1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
21600 Cc1onc(c1CN1CCC2(C1=O)C(=O)N(CC(O)=O)c1ccc(Cl)cc21)-c1ccccc1
21601 OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 |r|
21602 OC(=O)CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc12 |r|
21603 OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 |r|
21604 OC(=O)CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc12 |r|
21605 OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 |r|
21606 OC(=O)CN1C(=O)[C@]2(CC(=O)N(Cc3cccc(Cl)c3)C2=O)c2cc(Cl)ccc12 |r|
21607 COc1cccc(CN2C(=O)C[C@@]3(C(=O)N(CC(O)=O)c4ccc(Cl)cc34)C2=O)c1 |r|
21608 COc1cccc(CN2C(=O)C[C@]3(C(=O)N(CC(O)=O)c4ccc(Cl)cc34)C2=O)c1 |r|
21609 OC(=O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
21610 OC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2=O)c2cc(Cl)ccc12 |r|
21611 OC(=O)CN1C(=O)[C@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
21612 OC(=O)CN1C(=O)[C@@]2(CN(Cc3cc(Cl)ccc3F)C(=O)C2)c2cc(Cl)ccc12 |r|
21613 COc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1OC
21614 Cc1c(C)c(=O)n2n1c(CCl)c(C)c2=O
21615 OC(=O)c1cnn(c1)-c1ccccc1
21616 COc1ccccc1-c1csc(Nc2ccc(cc2)C(O)=O)n1
21617 COc1ccc(cc1OC)-c1cnn(c1N)-c1ccccc1
21618 COc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
21619 CCOC(=O)c1cc(OC)c(nn1)-c1ccccc1
21620 COc1ccc(C(=O)CBr)c2ccccc12
21621 Cc1cc(C)c([nH]1)-c1cc[nH]n1
21622 Cc1ccc(cn1)-c1cc[nH]n1
21623 Oc1c(Cl)cc(Cl)cc1-c1cc[nH]n1
21624 Cc1cc(ccc1F)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1
21625 c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1
21626 c1cc(n[nH]1)-c1cc(no1)-c1ccccc1
21627 CN1CCN(Cc2cccc(c2)C(=O)Nc2cc(NC(=O)c3cc(ns3)-c3ccccc3)ccc2C)CC1
21628 COC(=O)c1ccc(nc1)-c1nnc([nH]1)-c1ccncc1
21629 Cc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1
21630 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1ccc(cc1)-c1ccccc1 |r|
21632 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc(c1)-c1ccccc1 |r|
21633 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1cccc2ccccc12 |r|
21634 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C(c1ccccc1)c1ccccc1 |r|
21635 CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r|
21636 CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r|
21637 CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc2ccccc2c1 |r|
21638 CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1cccc2ccccc12 |r|
21639 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12 |r|
21640 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCCc2ccccc12 |r|
21641 OC(=O)CNC(=O)C(CS)Cc1ccccc1
21642 C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
21643 OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1 |r|
21644 C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r|
21645 C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r|
21646 C[C@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r|
21647 C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1 |r|
21648 C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r|
21649 C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r|
21650 C[C@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r|
21651 C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1 |r|
21652 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2ccccc12 |r|
21653 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r|
21654 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2ccccc12 |r|
21655 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2ccccc12 |r|
21656 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCCc2ccccc12 |r|
21657 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12 |r|
21658 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCCc2ccccc12 |r|
21659 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCCc2ccccc12 |r|
21663 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21664 CC(O)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21665 CCC(O)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21666 CCCC(O)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21667 OCc1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
21668 CC(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
21669 CC(=O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
21670 OC(C1CCCCC1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21671 OC(c1ccccc1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21672 OC(C#Cc1ccccc1)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
21673 OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
21674 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
21675 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O
21676 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
21677 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
21678 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
21679 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O
21680 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O
21681 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@H](C)C(O)=O
21682 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)C[C@@H](C)C(O)=O
21683 ON(CCCc1ccccc1)C=O
21684 ON(CCOc1cccc(c1)C(=O)c1ccccc1)C=O
21685 Cc1cccc(CCCN(O)C=O)n1
21686 CCc1cc(Nc2cc(=O)n(CCCCO)c(=O)[nH]2)ccc1C
21687 Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
21688 CCc1cc(Nc2cc(=O)n(CCCCN3CCN(CC3C)c3c(F)cc4c(c3F)n(cc(C(O)=O)c4=O)C3CC3)c(=O)[nH]2)ccc1C
21689 CC1CN(CCN1)c1c(F)cc2c(c1F)n(cc(C(O)=O)c2=O)C1CC1
21690 OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
21691 CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12
21692 CC(C)c1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
21693 CC(C)c1c(NC(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
21694 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
21695 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1cnc2ccccc12
21696 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c(C)nc2ccccc12
21697 CCc1nc2ccccc2n1C1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
21698 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c(CC(C)C)nc2ccccc12
21699 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c(nc2ccccc12)C(F)(F)F
21700 COc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC1)n1c(nc2ccccc12)-c1ccccc1
21701 CCc1nc2ccccc2n1C1CCN(C1)C(=O)c1cc2cc(OC)ccc2[nH]1
21702 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(OC)ccc2[nH]1 |r|
21703 CCc1nc2ccccc2n1[C@H]1CCN(C1)C(=O)c1cc2cc(OC)ccc2[nH]1 |r|
21704 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(F)ccc2[nH]1 |r|
21705 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
21706 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(Br)ccc2[nH]1 |r|
21707 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1 |r|
21708 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1cc2cc(CC)ccc2[nH]1 |r|
21709 CCc1nc2ccccc2n1[C@@H]1CCN(C1)C(=O)c1nc2ccc(OC)cc2[nH]1 |r|
21710 CCCNC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3C(C)C)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(16.62,-2.19,;15.28,-2.96,;13.95,-2.19,;12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.47,5.13,;.35,2.59,;-5.18,.44,;-6.7,.62,;-7.31,2.03,;-7.63,-.62,;-7.02,-2.03,;-5.49,-2.21,;-4.57,-.98,;-3.04,-1.16,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
21711 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;11.28,-.65,;12.61,-2.96,;13.95,-2.19,;13.95,-.65,;12.62,.12,;12.62,1.66,;13.95,2.43,;15.28,1.66,;15.28,.12,;12.61,-4.5,;13.95,-5.27,;13.95,-6.81,;15.28,-7.58,;16.62,-6.81,;16.62,-5.27,;15.28,-4.5,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21712 CC(C)c1onc(c1COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21713 CC(C)c1onc(c1COc1ccc(C(=O)N(C)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21714 CCCN(C(=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl)c1cccc(c1)C(O)=O |(4.61,1.66,;4.61,.12,;5.95,-.65,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;-.79,3.62,;-.47,5.13,;.35,2.59,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,)|
21715 CC(C)c1onc(c1COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;8.61,2.43,;9.95,1.66,;9.95,.12,;8.61,-.65,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21716 CC(C)c1onc(c1COc1ccc(C(=O)N(CCc2ccccc2)c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;5.95,-.65,;7.28,.12,;7.28,1.66,;5.95,2.43,;5.95,3.97,;7.28,4.74,;8.61,3.97,;8.61,2.43,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21717 CC(C)(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;.68,4.1,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21718 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
21719 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
21720 OC(=O)c1cccc(\C=C\c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.28,5.07,;1.24,5.36,;2.24,4.19,;1.73,2.73,;.21,2.45,;3.73,4.59,;4.07,6.09,;5.54,6.54,;6.67,5.5,;6.33,3.99,;4.86,3.54,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
21721 CC(C)(C)c1onc(c1COc1ccc(C(=O)Nc2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-.47,5.13,;-.79,3.62,;.35,2.59,;.68,4.1,;-2.25,3.15,;-3.5,4.05,;-4.75,3.15,;-4.27,1.68,;-2.73,1.68,;-1.82,.44,;-.29,.6,;.61,-.65,;1.95,.12,;3.28,-.65,;3.28,-2.19,;4.61,-2.96,;4.61,-4.5,;5.95,-2.19,;7.28,-2.96,;7.28,-4.5,;8.61,-5.27,;9.95,-4.5,;9.95,-2.96,;8.61,-2.19,;11.28,-2.19,;12.61,-2.96,;11.28,-.65,;1.95,-2.96,;1.95,-4.5,;.61,-2.19,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,)|
21722 OC(=O)c1cccc(NC(=O)c2ccc(OCc3c(noc3-c3ccc4ccccc4c3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.79,5.16,;.54,5.93,;1.88,5.16,;3.21,5.93,;4.55,5.16,;4.55,3.62,;3.21,2.85,;1.88,3.62,;.54,2.85,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
21723 OC(=O)c1cccc(NC(=O)c2ccc(OCc3c(noc3-c3ccc(cc3)-c3ccccc3)-c3c(Cl)cccc3Cl)cc2Cl)c1 |(12.61,-2.96,;11.28,-2.19,;11.28,-.65,;9.95,-2.96,;9.95,-4.5,;8.61,-5.27,;7.28,-4.5,;7.28,-2.96,;5.95,-2.19,;4.61,-2.96,;4.61,-4.5,;3.28,-2.19,;3.28,-.65,;1.95,.12,;.61,-.65,;-.29,.6,;-1.82,.44,;-2.73,1.68,;-4.27,1.68,;-4.75,3.15,;-3.5,4.05,;-2.25,3.15,;-.79,3.62,;-.5,5.13,;.96,5.64,;2.12,4.63,;1.83,3.11,;.37,2.61,;3.58,5.13,;3.58,6.67,;4.91,7.44,;6.25,6.67,;6.25,5.13,;4.91,4.36,;-5.18,.44,;-6.65,.88,;-7,2.38,;-7.77,-.17,;-7.42,-1.67,;-5.95,-2.12,;-4.82,-1.06,;-3.35,-1.51,;.61,-2.19,;1.95,-2.96,;1.95,-4.5,;8.61,-2.19,)|
21724 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5,9.13,;-4.28,7.76,;-2.74,7.7,;-5.11,6.46,;-6.65,6.36,;-7.03,4.87,;-5.73,4.05,;-4.54,5.03,;-3.21,4.26,;-1.87,5.03,;-.54,4.26,;.79,5.03,;2.13,4.26,;2.13,2.72,;3.46,1.95,;4.79,2.72,;6.13,1.95,;6.13,.41,;7.46,-.36,;8.79,.41,;8.79,1.95,;7.46,2.72,;10.13,2.72,;11.46,1.95,;10.13,4.26,;.79,1.95,;.79,.41,;-.54,2.72,;-5.63,2.51,;-4.28,1.78,;-2.97,2.59,;-4.23,.24,;-5.54,-.57,;-6.9,.16,;-6.94,1.7,;-8.3,2.43,)|
21725 [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|
21726 CCCCCCCCCCCCC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(F)(F)F
21727 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@@H](C)CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21728 CCCCCCCCCCCCCC(C(F)F)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21729 CCCCCCCCCCCCC[C@H](F)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21730 CCCCCCCCCCCCC[C@@H](F)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21731 [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@@H](C)CC[C@H](F)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21732 CCC(C)c1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21733 CCC(C)c1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21734 CCC(C)c1ccc(cc1)C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21735 CCCCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21736 CCCCCCCCCCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
21737 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21739 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21740 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21741 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21742 CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(=O)N2)[C@@H](C)O)[C@@H](C)CC |r|
21743 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21744 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6]-1=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21745 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8] |r|
21746 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc3ccccc3c1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21747 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21748 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1c(F)c(F)c(F)c(F)c1F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21749 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21750 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21751 [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#6]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6] |r|
21753 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc12 |r|
21754 CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21755 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C(F)(F)F)ccc12 |r|
21756 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc12 |r|
21757 COc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21758 CCOc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21759 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)C#N)ccc12 |r|
21760 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccccc3)ccc12 |r|
21761 Cc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
21762 Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1C |r|
21763 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cncnc3)ccc12 |r|
21764 COc1cccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c1 |r|
21765 Cc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(C)c1 |r|
21766 CCCc1ccccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
21767 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C(F)(F)F |r|
21768 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C#N |r|
21769 CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
21770 COc1cc(C)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
21771 CCc1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
21772 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)C#N |r|
21773 CCOc1cc(C)ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1 |r|
21774 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-n3cncn3)ccc12 |r|
21775 CC(=O)Nc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-n1ccnn1 |r|
21776 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3Cl)-n3cnnc3)ccc12 |r|
21777 Cc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(ns1)C(F)(F)F |r|
21778 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccsc3)ccc12 |r|
21779 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccoc3)ccc12 |r|
21780 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc4cc[nH]c4c3)ccc12 |r|
21781 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3cccnc3)ccc12 |r|
21782 COc1ccncc1-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21783 COc1ncc(c(OC)n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21784 Cc1cccc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21785 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3ccc(cn3)C(F)(F)F)ccc12 |r|
21786 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
21787 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nccs1 |r|
21788 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)cs1 |r|
21789 CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21790 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CC)cs1 |r|
21791 CCc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
21792 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(C)(C)C |r|
21793 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(F)(F)F |r|
21794 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(cs1)C(F)(F)F |r|
21795 Cc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21796 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(C)s1 |r|
21797 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3nc4CCCc4s3)ccc12 |r|
21798 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCc2s1 |r|
21799 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCc2s1 |r|
21800 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc(cc3)-c3nc4CCCCc4s3)ccc12 |r|
21801 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCCc2s1 |r|
21802 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2CCCCc2s1 |r|
21803 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2OCCCc2s1 |r|
21804 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2OCCCc2s1 |r|
21805 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc2ccccc2s1 |r|
21806 CC(=O)c1sc(nc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21807 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(C)=O |r|
21808 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(C)=O |r|
21809 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r|
21810 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(=O)N(C)C |r|
21811 Cc1nc(sc1C(O)=O)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21812 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O |r|
21813 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(C)c(s1)C(O)=O |r|
21814 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CO)c(s1)C(O)=O |r|
21815 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(CC(O)=O)cs1 |r|
21816 COc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21817 COc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
21818 CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)cc1 |r|
21819 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OCC)cs1 |r|
21820 CCOc1csc(n1)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
21821 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r|
21822 COc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OC(C)C)cs1 |r|
21823 CCCc1cc(ccc1OCCCOc1ccc2[C@H](CC(O)=O)CCc2c1)-c1nc(OCC)c(C)s1 |r|
21824 CCOc1nc(sc1C)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
21825 CCOc1nc(sc1CC)-c1ccc(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)c(OC)c1 |r|
21826 CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2c(noc12)C(F)(F)F |r|
21827 CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2c(C)noc12 |r|
21828 Cc1noc2c(C)c(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
21829 Cc1noc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
21830 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4cnoc4c3)ccc12 |r|
21831 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4c(ONC4(O)C(F)(F)F)c3)ccc12 |r|
21832 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc12 |r|
21833 Cc1coc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
21834 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4[nH]ccc4c3)ccc12 |r|
21835 Cn1ccc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc12 |r|
21836 Cc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2[nH]ccc12 |r|
21837 CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2[nH]ccc12 |r|
21838 CCCc1c(OCCCOc2ccc3[C@H](CC(O)=O)CCc3c2)ccc2n(C)ccc12 |r|
21839 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4[nH]ccc4c3CC=C)ccc12 |r|
21840 Cc1cc2cc(OCCCOc3ccc4[C@H](CC(O)=O)CCc4c3)ccc2[nH]1 |r|
21841 OC(=O)C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc12 |r|
21842 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
21844 [H][C@@]12CCCc3cccc([C@@H](CC1)N1CCC4(CC1)N(CNC4=O)c1ccccc1)c23 |r|
21845 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21846 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
21847 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(C)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21848 CN1Cc2ccccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
21849 CN1Cc2cccc(F)c2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
21850 CN1Cc2cc(F)ccc2C2(CCN(CC2)C2CCC(CC2)C(C)(C)C)C1=O |(1.54,6.32,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-1.12,-7.54,;.21,4.01,;1.54,3.24,)|
21851 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21852 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
21853 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21854 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21855 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cccc(F)c21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-3.79,1.7,;-2.46,4.01,)|
21856 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)N(Cc1ccccc1)Cc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21857 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21858 CC(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21859 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1ccccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21860 CC(C)(C)C1CCC(CC1)N1CCC2(CC1)C(=O)NCc1cc(F)ccc21 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-7.54,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;-1.12,6.32,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-6.46,6.32,;-5.13,4.01,;-3.79,3.24,;-2.46,4.01,)|
21861 CNC(=O)C1(CCN(CC1)C1CCC(CC1)C(C)C)c1ccccc1 |(1.54,6.32,;.21,5.55,;.21,4.01,;1.54,3.24,;-1.12,3.24,;-2.46,2.47,;-2.46,.93,;-1.12,.16,;.21,.93,;.21,2.47,;-1.12,-1.38,;-2.46,-2.15,;-2.46,-3.69,;-1.12,-4.46,;.21,-3.69,;.21,-2.15,;-1.12,-6,;.21,-6.77,;-2.46,-6.77,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
21862 CC(C)C1CCC(CC1)N1CCC(CC1)(C(=O)NCc1ccccc1)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;1.54,3.24,;.21,5.55,;1.54,6.32,;1.54,7.86,;.21,8.63,;.21,10.17,;1.54,10.94,;2.88,10.17,;2.88,8.63,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
21863 CC(C)C1CCC(CC1)N1CCC(CC1)(C(N)=O)c1ccccc1 |(.21,-6.77,;-1.12,-6,;-2.46,-6.77,;-1.12,-4.46,;-2.46,-3.69,;-2.46,-2.15,;-1.12,-1.38,;.21,-2.15,;.21,-3.69,;-1.12,.16,;-2.46,.93,;-2.46,2.47,;-1.12,3.24,;.21,2.47,;.21,.93,;.21,4.01,;.21,5.55,;1.54,3.24,;-2.46,4.01,;-2.46,5.55,;-3.79,6.32,;-5.13,5.55,;-5.13,4.01,;-3.79,3.24,)|
21864 [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
21865 [H][C@]12Cc3ccc(O)c4OC5[C@](CCN1CC1CC1)(c34)[C@@]21CCC5(OC)C(C1)C(C)(C)O |TLB:28:26:11.10:21.22,8:19:20:14.12.13,4:3:20:14.12.13|
21866 OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21868 Nc1nc2n(CCCCO)cnc2c(=O)[nH]1
21869 OCCCCn1cnc2c1nc(Sc1ccccc1)[nH]c2=O
21870 OCCCCn1cnc2c1nc(Oc1ccccc1)[nH]c2=O
21871 CN(c1ccccc1)c1nc2n(CCCCO)cnc2c(=O)[nH]1
21872 OCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21873 OCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21874 OCCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21875 COCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21876 OC(=O)CCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21877 CN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21878 CCN(CC)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21879 CCN(C)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21880 OCCN(CCO)CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21881 C=CCN(CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O)CC=C
21882 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCCC3)cnc12
21883 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)N3CCCCC3)cnc12
21884 OCCC1CCCCN1CCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O
21885 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12
21886 CC1CN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC(C)N1
21887 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCc4ccccc34)cnc12
21888 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC3CN3CCCCC3)cnc12
21889 OC1CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1
21890 OC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1
21891 COC1CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1
21892 COC1CCCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)C1
21893 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCCC3c3ccccc3)cnc12
21894 O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)(C#N)c3ccccc3)cnc12
21895 OC1(CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F
21896 Fc1ccc(Nc2c(cnc3ccc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
21897 Fc1ccc(Nc2c(cnc3c(F)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
21898 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
21899 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl
21900 Fc1ccc(Nc2c(cnc3c(cc(NCc4cnc[nH]4)cc23)C(F)(F)F)C#N)cc1Cl
21901 Oc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21902 COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21903 CS(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21904 CS(=O)(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21905 CN(C)C(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21906 CC(=O)c1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21907 OCC(O)Cc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21908 OCC(O)COc1cc(NCc2cnc[nH]2)cc2c(Nc3ccc(F)c(Cl)c3)c(cnc12)C#N
21909 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCCc4cnc[nH]4)cc23)C#N)cc1Cl
21910 Fc1ccc(Nc2c(cnc3c(Br)cc(NC(=O)Cc4cnc[nH]4)cc23)C#N)cc1Cl
21911 Cn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)cn1
21912 Cn1nccc1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21913 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4ccnn4-c4ccccc4)cc23)C#N)cc1Cl
21914 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc5ccccn45)cc23)C#N)cc1Cl
21915 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccnc4)cc23)C#N)cc1Cl
21916 OC(c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1)(C(F)(F)F)C(F)(F)F
21917 CC(C)N1CCC(O)(CC1)c1cncc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
21918 Cc1cccc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)n1
21919 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cccc(n4)N4CCOCC4)cc23)C#N)cc1Cl
21920 [O-][n+]1ccccc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21921 OCC(O)CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21922 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4nnn[nH]4)cc23)C#N)cc1Cl
21923 OC(=O)CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21924 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCC(=O)Nc4cccnc4)cc23)C#N)cc1Cl
21925 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
21926 CN(C)CCCn1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
21927 CC(C)c1nc[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21928 CC(C)c1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21929 CCCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21930 CCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21931 COC(=O)c1nc[nH]c1CNc1cc(Br)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21932 CN(C)CCCc1nc[nH]c1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21933 Cn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
21934 CCc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1
21935 Cc1nc(C)c(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)[nH]1
21936 Cn1cncc1CNc1cc(Cl)c2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
21937 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cnc([nH]4)-c4ccccc4)cc23)C#N)cc1Cl
21938 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCN5CCOCC5)cn4)cc23)C#N)cc1Cl
21939 CS(=O)(=O)CCn1cnc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)c1
21940 CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |wU:166.168,203.207,151.153,133.135,67.68,77.79,26.25,113.115,11.11,97.99,178.182,185.190,189.194,wD:194.198,157.159,211.215,227.232,142.144,58.59,45.45,37.37,122.124,86.88,104.106,15.17,223.229,54.56,(58.89,-82.98,;57.56,-82.21,;57.56,-80.67,;56.23,-79.9,;56.23,-78.36,;54.89,-77.59,;54.89,-76.05,;53.56,-75.28,;52.22,-76.05,;53.56,-73.74,;52.22,-72.97,;52.22,-71.43,;53.56,-70.66,;54.89,-71.43,;54.89,-72.97,;56.23,-70.66,;56.23,-69.12,;57.56,-68.35,;57.56,-71.43,;58.89,-70.66,;58.89,-69.12,;60.23,-71.43,;61.56,-70.66,;50.89,-70.66,;50.89,-69.12,;49.56,-71.43,;48.22,-70.66,;46.89,-71.43,;46.89,-72.97,;48.22,-73.74,;48.22,-75.28,;46.89,-76.05,;45.56,-75.28,;45.56,-73.74,;48.22,-69.12,;49.56,-68.35,;46.89,-68.35,;46.89,-66.81,;48.22,-66.04,;48.22,-64.5,;49.56,-63.73,;46.89,-63.73,;45.56,-66.04,;45.56,-64.5,;44.22,-66.81,;42.89,-66.04,;42.89,-64.5,;41.55,-63.73,;41.55,-66.81,;41.55,-68.35,;40.22,-66.04,;40.06,-64.51,;38.55,-64.19,;37.78,-65.52,;38.81,-66.67,;38.49,-68.17,;39.64,-69.2,;37.03,-68.65,;35.88,-67.62,;36.2,-66.11,;35.06,-65.08,;35.38,-63.58,;34.24,-62.54,;36.85,-63.1,;34.42,-68.09,;34.1,-69.6,;33.28,-67.06,;31.81,-67.54,;31.49,-69.05,;30.03,-69.52,;28.78,-68.62,;27.53,-69.52,;28.01,-70.99,;29.55,-70.99,;30.67,-66.51,;29.2,-66.99,;30.99,-65,;29.84,-63.97,;28.38,-64.45,;27.23,-63.42,;25.77,-63.89,;24.62,-62.86,;25.45,-65.4,;30.16,-62.47,;31.63,-61.99,;29.02,-61.44,;29.34,-59.93,;30.8,-59.45,;31.12,-57.95,;32.59,-57.47,;32.91,-55.96,;34.37,-55.49,;34.69,-53.98,;35.52,-56.52,;28.19,-58.9,;26.73,-59.37,;28.51,-57.39,;27.37,-56.36,;25.9,-56.84,;24.76,-55.81,;25.58,-58.34,;27.69,-54.86,;29.15,-54.38,;26.54,-53.83,;26.87,-52.32,;28.33,-51.84,;28.65,-50.34,;30.11,-49.86,;30.43,-48.35,;31.26,-50.89,;25.72,-51.29,;24.26,-51.76,;26.04,-49.78,;24.9,-48.75,;23.43,-49.23,;22.29,-48.2,;20.82,-48.67,;19.68,-47.64,;20.5,-50.18,;25.22,-47.25,;26.68,-46.77,;24.07,-46.21,;24.39,-44.71,;25.86,-44.23,;26.18,-42.73,;27.64,-42.25,;27.96,-40.74,;29.43,-40.27,;29.75,-38.76,;30.57,-41.3,;23.25,-43.68,;21.78,-44.15,;23.57,-42.17,;22.42,-41.14,;20.96,-41.62,;19.81,-40.59,;18.35,-41.06,;17.21,-40.03,;15.74,-40.51,;22.74,-39.63,;24.21,-39.16,;21.6,-38.6,;21.92,-37.1,;23.38,-36.62,;23.7,-35.12,;25.17,-34.64,;25.49,-33.13,;26.31,-35.67,;20.77,-36.07,;19.31,-36.54,;21.1,-34.56,;19.95,-33.53,;18.49,-34.01,;17.34,-32.98,;20.27,-32.02,;21.74,-31.55,;19.13,-30.99,;19.45,-29.49,;20.91,-29.01,;21.23,-27.5,;22.7,-27.03,;23.02,-25.52,;24.48,-25.05,;18.3,-28.46,;16.84,-28.93,;18.62,-26.95,;17.48,-25.92,;16.01,-26.4,;14.87,-25.37,;13.4,-25.84,;12.26,-24.81,;10.79,-25.29,;17.8,-24.41,;19.26,-23.94,;16.65,-23.38,;15.15,-23.7,;14.38,-22.37,;15.41,-21.22,;16.81,-21.85,;18.15,-21.08,;19.48,-21.85,;18.15,-19.54,;16.9,-18.64,;17.38,-17.17,;18.92,-17.17,;19.39,-18.64,;20.86,-19.11,;21.18,-20.62,;22,-18.08,;21.68,-16.57,;20.22,-16.1,;22.83,-15.54,;24.29,-16.02,;22.51,-14.04,;23.65,-13.01,;25.12,-13.48,;26.26,-12.45,;27.73,-12.93,;28.87,-11.9,;30.33,-12.37,;23.33,-11.5,;21.87,-11.03,;24.48,-10.47,;24.16,-8.96,;22.69,-8.49,;21.66,-7.34,;20.15,-7.66,;22.14,-5.88,;25.3,-7.93,;26.76,-8.41,;24.98,-6.43,;26.12,-5.4,;27.59,-5.87,;28.73,-4.84,;30.2,-5.32,;30.52,-6.82,;31.34,-4.29,;25.8,-3.89,;24.34,-3.41,;26.95,-2.86,;28.46,-3.18,;29.23,-1.85,;28.19,-.7,;26.79,-1.33,;25.45,-.56,;24.12,-1.33,;25.45,.98,;26.79,1.75,;28.12,.98,;29.46,1.75,;30.79,.98,;32.12,1.75,;33.46,.98,;34.79,1.75,;33.46,-.56,;26.79,3.29,;28.12,4.06,;25.45,4.06,)|
21941 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCO |r|
21942 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCO |r|
21943 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCO |r|
21944 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCCCO |r|
21945 CN(CCCCO)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |r|
21946 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CC[C@@H](O)C1 |r|
21947 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)N1CCC(C)(O)C1 |r|
21948 CC(=O)NCCCCNC(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |r|
21949 CC(=O)N[C@@H]1CCN(C1)C(=O)OCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |r|
21950 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCc1cccc(O)c1 |r|
21951 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NC[C@H]1CCCO1 |r|
21952 CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCOC(=O)NCCCn1ccnc1 |r|
21953 Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
21954 Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r|
21955 Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
21956 Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r|
21957 NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r|
21958 CC(C)c1c([nH]c2ccc(cc12)C1CCNCC1)-c1cc(C)nc(C)c1
21959 [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
21960 NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:10.9|
21961 N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|
21962 NCCN(O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
21963 NCCN(N)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
21964 N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)N(O)[C@H]1CN[C@@H](C1)C(N)=O |w:5.4|
21965 N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@@H](O)CCCO |w:5.4|
21966 N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@H](O)CCCO |w:5.4|
21967 N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@@H](O)CCO |w:5.4|
21968 N[C@@H](CCCN=C(N)N[N+]([O-])=O)C[C@H](O)CCO |w:5.4|
21969 NCCC[C@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:12.11|
21970 NCCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:12.11|
21971 NCC[C@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
21972 NCC[C@@H](O)C[C@@H](N)CCCN=C(N)N[N+]([O-])=O |w:11.10|
21973 Cn1cc(CC(N)C(O)=O)c2ccccc12
21974 N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
21975 CN1C(=O)N(C)[C@@]2(Oc3c(O)cc4c(CC[N+]4(C)C)c3C3=C2C(=O)c2c(CCN)c[nH]c2C3=O)C1=O |r,c:22|
21976 O=C(NCCc1c[nH]c2c1C(=O)C=CC2=O)OCc1ccccc1 |c:13|
21977 O=C(NCCc1c[nH]c2c1C(=O)C(=CC2=O)C1(C(=O)c2ccccc2C1=O)c1ccccc1)OCc1ccccc1 |c:13|
21978 Oc1cccc2[nH]ccc12
21979 O=C1C=CC(=O)c2[nH]ccc12 |c:2|
21980 CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]ccc2C1=O |t:16|
21981 CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)OCc3ccccc3)c2C1=O |t:16|
21982 CCCn1c(O)c(C2=CC(=O)c3[nH]cc(CCN)c3C2=O)n(C)c1=O |t:7|
21983 NCCc1c[nH]c2c1C(=O)c1c(C2=O)c(-c2ccccc2)c2ccccc2c1-c1ccccc1
21984 CCCN1C(=O)N(C)C(C(=O)OC)(C1=O)C1=CC(=O)c2[nH]cc(CCNC(=O)CCc3ccccc3)c2C1=O |t:16|
21985 CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
21986 CC(C)Cn1c2cn(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O
21987 CC(C)Cn1c2sc(Cc3ccnc4ccc(F)cc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
21988 CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N(C)C)c2c(=O)n(C)c1=O
21989 CC(C)n1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCS(=O)(=O)C3)c2c(=O)n(C)c1=O
21990 CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CCC1
21991 CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r|
21992 CC(C)Cn1c2sc(Oc3cccc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
21993 CON(C)C(=O)c1c(Cn2c(C)nc(Cl)c2Cl)sc2n(CC(C)C)c(=O)n(C)c(=O)c12
21994 CC(C)Cn1c2sc(Cc3ccnc4ccccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
21995 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
21996 CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
21997 CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1C[C@H](O)CO1 |r|
21998 CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(C(=O)N3C[C@H](O)CO3)c2c(=O)n(C)c1=O |r|
22000 CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3cccc4ccccc34)cc12
22001 CC(C)Cn1c2sc(Cc3cccc4ccccc34)c(SCCCO)c2c(=O)n(C)c1=O
22002 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SCCCO)c2c(=O)n(C)c1=O
22003 CCSc1c(Cc2ccccc2C(F)(F)F)sc2n(CC(C)C)c(=O)n(C)c(=O)c12
22004 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC(C)C)c2c(=O)n(C)c1=O
22005 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCC3)c2c(=O)n(C)c1=O
22006 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCCC3)c2c(=O)n(C)c1=O
22007 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SC3CCCCC3)c2c(=O)n(C)c1=O
22008 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3CCC[C@H]3O)c2c(=O)n(C)c1=O |r|
22009 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22010 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@@H]3CC[C@H](O)C3)c2c(=O)n(C)c1=O |r|
22011 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(S[C@H]3C[C@H](O)[C@H](O)C3)c2c(=O)n(C)c1=O |r|
22012 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(SCC(O)CO)c2c(=O)n(C)c1=O
22013 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(c2c(=O)n(C)c1=O)S(=O)(=O)[C@@H]1CC[C@H](O)C1 |r|
22014 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(c2c(=O)n(C)c1=O)S(=O)(=O)N1CC[C@@H](O)C1 |r|
22015 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22016 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCC3)c2c(=O)n(C)c1=O
22017 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCC3)c2c(=O)n(C)c1=O
22018 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CCCCC3)c2c(=O)n(C)c1=O
22019 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N(C)C)c2c(=O)n(C)c1=O
22020 CC(C)Cn1c2sc(Cc3ccccc3C(F)(F)F)c(C(=O)N3CC(C)(O)C3)c2c(=O)n(C)c1=O
22021 Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F |r,c:25|
22022 CC(C)Cc1nn(C)c(=O)c2c(SCCCO)n(Cc3ccccc3)cc12
22023 CC(C)Cn1c2sc(Cc3cccc4ncccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22024 CC(C)Cn1c2sc(Cc3cncc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22025 CC(C)Cn1c2sc(Cc3c[nH]c4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22026 CC(C)Cn1c2sc(Cc3c[nH]c4ncccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22027 CNc1nc2ccccc2n1Cc1sc2n(CC(C)C)c(=O)n(C)c(=O)c2c1C(=O)N1CC[C@@H](O)C1 |r|
22028 CC(C)Cn1c2sc(Cn3c(C)nc4ccccc34)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22029 CC(C)Cn1c2sc(Cn3c(C)nc(Cl)c3Cl)c(C(=O)N3CC[C@@H](O)C3)c2c(=O)n(C)c1=O |r|
22030 NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:12.11|
22031 [O-][N+](=O)c1ccc(NCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12
22032 CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
22033 [O-][N+](=O)c1ccc(NCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12
22034 [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12
22035 [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12
22036 [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12
22037 [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12
22038 CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
22040 CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
22041 CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
22042 Clc1cccc(c1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(Br)cc12
22043 [O-][N+](=O)c1cccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c1
22044 [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1
22045 [#8-]-[#7+](=O)-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)ccc1-[#16]-c1ccc(Cl)cc1
22046 CC[C@H](C)CNc1nc(nc2n(cnc12)C1CCCC1)C#N |r|
22047 [#6]-c1cc(=O)oc2cc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-c3ccccc3)-[#7]-[#6](=O)-[#8]-[#6]-c3ccccc3)ccc12
22048 CC[C@H](C)CNc1nc(nc2n(Cc3ccccc3)cnc12)C#N |r|
22049 CCCn1cnc2c(NC3CCCCC3)nc(nc12)C#N
22050 N#Cc1nc(NC2CCCCC2)c2ncn(C3CCCCC3)c2n1
22051 N#Cc1nc(NC2CCCCC2)c2ncn(Cc3ccccc3)c2n1
22052 CCCCCCNc1nc(nc2n(CCCC)cnc12)C#N
22053 CCCCCCNc1nc(nc2n(cnc12)C1CCCC1)C#N
22054 CCCCCCNc1nc(nc2n(CC3CCCCC3)cnc12)C#N
22055 CCCCCCNc1nc(nc2n(Cc3ccccc3)cnc12)C#N
22056 CCCCn1cnc2c(N[C@H](C)c3ccccc3)nc(nc12)C#N |r|
22057 C[C@@H](Nc1nc(nc2n(cnc12)C1CCCC1)C#N)c1ccccc1 |r|
22058 C[C@@H](Nc1nc(nc2n(Cc3ccccc3)cnc12)C#N)c1ccccc1 |r|
22059 COc1ccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
22060 CCCCn1cnc2c(NCc3cccc(C)c3)nc(nc12)C#N
22061 Cc1cccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)c1
22062 Cc1cccc(CNc2nc(nc3n(CC4CCCCC4)cnc23)C#N)c1
22063 Cc1cccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)c1
22064 CCCCn1cnc2c(NCc3ccccc3)nc(nc12)C#N
22065 N#Cc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
22066 N#Cc1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
22067 CCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
22068 Clc1ccc(CNc2nc(nc3n(cnc23)C2CCCC2)C#N)cc1
22069 Clc1ccc(CNc2nc(nc3n(CC4CCCCC4)cnc23)C#N)cc1
22070 Clc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
22071 N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3cccnc3)c2n1
22072 CCCCn1cnc2c(NCCc3ccccc3)nc(nc12)C#N
22073 N#Cc1nc(NCCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
22074 CCCCn1cnc2c(NCc3ccc(OC)cc3)nc(nc12)C#N
22075 COc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
22076 Cc1ccc(CNc2nc(nc3n(CCCO)cnc23)C#N)cc1
22077 CCCCn1cnc2c(NCc3ccc(C)cc3)nc(nc12)C#N
22078 Cc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
22079 OCCCn1cnc2c(NCc3ccccc3)nc(nc12)C#N
22080 N#Cc1nc(NCc2ccccc2)c2ncn(CC3CCCCO3)c2n1
22081 COc1ccc(Cn2cnc3c(NCc4ccccc4)nc(nc23)C#N)cc1
22082 FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccccc4)nc(nc23)C#N)c1
22083 OCCCCn1cnc2c(NCc3ccc(F)cc3)nc(nc12)C#N
22084 CCCCn1cnc2c(NCc3ccc(F)cc3)nc(nc12)C#N
22085 Fc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
22086 Clc1ccc(CNc2nc(nc3n(Cc4cccnc4)cnc23)C#N)cc1
22087 OCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
22088 OCCCCn1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)C#N
22089 COc1ccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)cc1
22090 FC(F)(F)c1cccc(Cn2cnc3c(NCc4ccc(Cl)cc4)nc(nc23)C#N)c1
22091 CCCCn1cnc2c(NCc3ccc(Br)cc3)nc(nc12)C#N
22092 Brc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1
22093 Brc1ccc(CNc2nc(nc3n(CCCc4ccccc4)cnc23)C#N)cc1
22094 OCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22095 CCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22096 Clc1ccc(CNc2nc(nc3n(Cc4ccccc4)cnc23)C#N)cc1Cl
22097 OCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22098 OCC(O)Cn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22099 OCCCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22100 COCOCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22101 COCCCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N
22102 COC(CCn1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)C#N)OC
22103 OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
22104 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O
22105 OCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
22106 OC[C@H]1C[C@@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r|
22107 OC[C@H]1C[C@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r|
22108 OCC1CCN1Cc1c[nH]c2c1nc[nH]c2=O
22109 OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
22110 CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1
22111 CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
22112 CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1
22113 CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
22114 CCOC(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:6.6|
22116 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCc1ccccc1 |r,w:28.28|
22117 CCN(CC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:8.8|
22118 CCCCN(CCCC)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:12.12|
22119 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCCC1 |r,w:28.28|
22120 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)Nc1ccccc1 |r,w:28.28|
22121 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccccc1 |r,w:28.28|
22122 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCc1ccc(F)cc1 |r,w:28.28|
22123 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)NCCc1ccccc1 |r,w:28.28|
22124 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)c1ccccc1 |r,w:28.28|
22125 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1ccccc1 |r,w:28.28|
22126 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)Cc1cccc2ccccc12 |r,w:28.28|
22127 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)CCc1ccccc1 |r,w:28.28|
22128 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)c1ccccc1 |r,w:28.28|
22129 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccccc1 |r,w:28.28|
22130 COc1ccc(CN(Cc2ccccc2)C(=O)C=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 |r,w:18.19|
22131 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)c1ccccc1 |r,w:28.28|
22132 CC=CC=CC(=O)N(CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 |r,w:4.4,1.0|
22133 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1ccco1 |r,w:28.28|
22134 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=Cc1cccnc1 |r,w:28.28|
22135 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1 |r,w:28.28|
22136 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccco1)Cc1ccco1 |r,w:28.28|
22137 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1ccc2ccccc2c1 |r,w:28.28|
22138 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(Cc1ccccc1)Cc1cccc2ccccc12 |r,w:28.28|
22139 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCCc2ccccc12 |r,w:28.28|
22140 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc2C1 |r,w:28.28|
22141 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCc2ccccc12 |r,w:28.28|
22142 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1Cc2ccccc2C1 |r,w:28.28|
22143 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N1CCC(=CC1)c1ccccc1 |r,w:28.28,c:36|
22144 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)N(C)C(Cc1ccccc1)C(=O)N(C)CCc1ccccc1 |r,w:28.28|
22145 [H][C@]12CS[C@@H](CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NN(CC(N)=O)C(=O)C=CC(=O)OCC)[C@@]1([H])NC(=O)N2 |r,w:29.28|
22146 CC(C)c1nc(Nc2nsc(n2)-c2ccccc2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22147 CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22148 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccon1 |r|
22149 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccon1)S(C)(=O)=O |r|
22150 CC(C)c1nc(Nc2ccnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22151 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccnn1C |r|
22152 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccnn1C)S(C)(=O)=O |r|
22153 CC(C)c1nc(Nc2cc(nn2C)C(C)(C)C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22154 CC(C)c1nc(Nc2ccn(C)n2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22155 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccn(C)n1 |r|
22156 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccn(C)n1)S(C)(=O)=O |r|
22157 CC(C)c1nc(Nc2nnnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22158 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1nnnn1C |r|
22159 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1nnnn1C)S(C)(=O)=O |r|
22160 CC(C)c1nc(Nc2cc(nn2C)C(O)=O)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22161 CC(C)c1nc(Nc2ncnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O |r|
22162 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ncnn1C)S(C)(=O)=O |r|
22163 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ncnn1C |r|
22164 CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
22165 Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
22166 [H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(I)cc1)C(=O)OC)N2C |TLB:16:6:20:3.2|
22167 C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
22168 O[C@@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r|
22169 O[C@H](CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1 |r|
22170 O[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22171 O[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22172 O[C@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r|
22173 O[C@@H](CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1 |r|
22174 C[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22175 C[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22176 N[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22177 N[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22178 CO[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22179 CO[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22180 F[C@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22181 F[C@@H](CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1 |r|
22182 Fc1ccc(cc1)C(OCCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccc(F)cc1
22183 O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
22184 Fc1ccc(cc1)C(OCCN1CCN(CCC(=C)c2ccccc2)CC1)c1ccc(F)cc1
22185 C=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
22186 CC(O)(CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccc1
22187 CC(O)(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
22188 Fc1ccc(cc1)C(OCCN1CCN(CC(=O)Cc2ccccc2)CC1)c1ccc(F)cc1
22189 O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
22190 Fc1ccc(cc1)C(OCCN1CCN(CC(=C)Cc2ccccc2)CC1)c1ccc(F)cc1
22191 C=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
22192 CC(O)(CN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Cc1ccccc1
22193 CC(O)(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
22194 Fc1ccc(cc1)C(OCCN1CCN(CC(=O)c2ccccc2)CC1)c1ccc(F)cc1
22195 O=C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
22196 FC[C@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
22197 FC[C@@H](Cc1ccccc1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |r|
22198 Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
22199 Fc1ccc(cc1)C(OCCN1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
22200 Fc1ccc(cc1)C(OCCN1CCN(CC2=Cc3ccccc3CC2)CC1)c1ccc(F)cc1 |t:17|
22201 CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22202 CCCCCCCCCCCCC\C=C/C(O)C(N)COP(O)(O)=O
22203 CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22204 CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22205 CCC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22206 CCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22207 CCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22208 CCCCCCc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22209 CC(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22210 CC(C)(C)Cc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22211 CCOc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22212 CC(C)Oc1ccc(cc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
22213 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CC2)C1
22214 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCC2)C1
22215 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCC2)C1
22216 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)C2CCCCC2)C1
22217 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)-c2ccccc2)C1
22218 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(CCC(F)(F)F)cc2)C1
22219 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@H]2CCC(F)(F)C2)C1 |r|
22220 OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2ccc(cc2)[C@@H]2CCC(F)(F)C2)C1 |r|
22221 CC(C)(C)c1ccc(cc1)-c1nnc(o1)-c1ccccc1N
22222 CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
22223 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)cc1C
22224 CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(CC(C)C(O)=O)cc1C
22225 CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)C(C)CC(O)=O
22226 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(CCC(O)=O)nc1C
22227 CC(C)Oc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r|
22228 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@H]1C[C@@H]1C(O)=O |r|
22229 CC(C)Oc1ccc(cc1C#N)-c1nc(no1)-c1ccc(cc1C)[C@@H]1C[C@@H]1C(O)=O |r|
22230 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1
22231 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
22232 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccccc1)-c1ccccc1
22233 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(cc1)C(F)(F)F)-c1ccccc1
22234 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(F)cc1)-c1ccccc1
22235 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1cccc(OC)c1)-c1ccccc1
22236 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(OC)cc1
22237 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(C)cc1
22238 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccc(Cl)cc1
22239 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccc(c1)[N+]([O-])=O
22240 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]cnc1-c1ccc(OC)cc1
22241 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(C)nc1-c1ccc(OC)cc1
22242 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)C1CC1
22243 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)C(C)(C)C
22244 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccncc1
22245 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccn1
22246 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccnc1
22247 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cnccn1
22248 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1csc(C)n1
22249 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
22250 CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1
22251 CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
22252 COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)c1ccc(C)cc1)-c1ccccc1
22253 CCCCN1CCN(CC1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
22254 CCCCCN1CCN(CC1)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1
22255 COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccccc1Cl)-c1cccs1
22256 COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)-c1cccs1
22257 COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1)-c1ccccc1
22258 COc1ccc(cc1)-c1nc([nH]c1CCNS(=O)(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
22259 [H][C@]1(CCN(Cc2ccccc2)C1)NS(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
22260 [H][C@@]1(CCN(Cc2ccccc2)C1)NS(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
22261 [H][C@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
22262 [H][C@@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1ccccc1 |r|
22263 [H][C@]1(CCN(Cc2ccccc2)C1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
22264 [H][C@]1(CCN(C1)c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
22265 [H][C@]1(CCN(C1)C(C)(C)c1ccccc1)N(CC)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
22266 [H][C@]1(CCN(C1)C(C)c1ccc(F)cc1)N(CC)S(=O)(=O)NCCc1[nH]c(nc1-c1ccc(OC)cc1)-c1cccs1 |r|
22267 CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCc1c[nH]c2ccccc12
22268 Cc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22269 CCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22270 CCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22271 CCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22272 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22273 O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(cc1)-c1ccccc1
22274 Cc1ccccc1-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22275 Cc1cccc(c1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22276 CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22277 CC(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22278 CCCCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22279 CC(C)Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22280 CC(C)(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22281 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccccc12
22282 CCCCCc1ccc(cc1)S(=O)(=O)N(C)CCc1c[nH]c2ccccc12
22283 CCCCCc1ccc(cc1)S(=O)(=O)NC(=O)Cc1c[nH]c2ccccc12
22284 CCCCCc1ccc(cc1)S(=O)(=O)N1CCC(C1)c1c[nH]c2ccccc12
22285 CCCCCc1ccc(cc1)S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
22286 CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1c[nH]c2ccccc12
22287 CCCCCc1ccc(cc1)S(=O)(=O)NCCCCc1c[nH]c2ccccc12
22288 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2cc(ccc12)C(=O)OC
22289 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2cc(ccc12)C(O)=O
22290 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c[nH]c2ccc(cc12)-c1ccc[nH]1
22291 COc1ccc(cc1)-c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(C)cc1
22292 CCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(OC)cc1
22293 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(OC)cc1
22294 COc1ccc(cc1)-c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)C(O)=O
22295 COc1ccc(cc1)-c1[nH]c2ccccc2c1CCNS(=O)(=O)c1ccc(cc1)-c1ccccc1
22296 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1
22297 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cccc(C)c1
22298 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(Cl)cc1
22299 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(cc1)C(=O)CC
22300 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F
22301 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc(OC)ccc1OC
22302 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22303 CCCCCc1ccc(cc1)S(=O)(=O)NCCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22304 O=S(=O)(NCCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1)c1ccc(cc1)-c1ccccc1
22305 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1ccc2oc3ccccc3c2c1
22306 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cnc2ccccc2c1
22307 CCCCCc1ccc(cc1)S(=O)(=O)NCCc1c(-c2cc3ccccc3o2)n(C)c2ccccc12
22308 Cc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22309 Brc1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22310 O=S(=O)(NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1)c1ccc(cc1)-c1ccncc1
22311 O=C(Nc1ccccc1)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22312 COc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)NCCc2c([nH]c3ccccc23)-c2cc3ccccc3o2)cc1
22313 CCCCNC(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22314 O=C(NC1CCCCC1)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22315 NNC(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22316 CN(CCO)C(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22317 CN(C)CCN(C)C(=O)c1ccc(cc1)S(=O)(=O)NCCc1c([nH]c2ccccc12)-c1cc2ccccc2o1
22318 CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccccc1
22319 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
22320 CCOC(=O)c1c(N2CCN(CC2)c2ccccc2)n(C)c2ccc(OC)cc12
22321 CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(F)cc1
22322 CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(Cl)cc1
22323 CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1
22324 CCOC(=O)c1c(Nc2ccccc2)[nH]c2ccc(O)cc12
22325 CCOC(=O)c1c(Nc2ccc(C)cc2)[nH]c2ccc(O)cc12
22326 CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
22327 COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
22328 COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
22329 CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
22330 CC(Nc1[nH]c2ccc(O)cc2c1C#N)c1ccccc1
22331 CCOC(=O)c1c([nH]c2ccc(O)cc12)N(CC=C)CC=C
22332 CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
22333 CCOC(=O)c1c(Nc2cccnc2)[nH]c2ccc(O)cc12
22334 CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
22335 Oc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:5.4,c:15|
22336 CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
22337 COc1cc(C=C2SC(Nc3nccs3)=NC2=O)ccc1O |w:5.4,c:15|
22338 COc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:6.5,c:16|
22339 [O-][N+](=O)c1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:7.6,c:17|
22340 [O-][N+](=O)c1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1 |w:8.7,c:18|
22341 Clc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:5.4,c:15|
22342 Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1 |w:6.5,c:16|
22343 Clc1ccccc1C=C1SC(Nc2nccs2)=NC1=O |w:7.7,c:18|
22344 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
22345 Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22346 CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22347 CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22348 CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22349 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
22350 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
22351 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
22352 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
22353 COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22354 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
22355 COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22356 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
22357 COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22358 COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22359 COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22360 CC(=O)Oc1ccccc1C(O)=O
22361 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1
22362 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
22363 COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
22364 COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22365 COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22366 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
22367 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
22368 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
22369 CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11|
22370 CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
22371 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O
22372 C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
22373 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccccc1 |r,c:15|
22374 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C)=C(C2)C(\CCC)=C\CCC |r,c:16|
22375 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(CCCC)=C(C2)C(\CCC)=C\CCC |r,c:19|
22376 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(C1CCCCC1)=C(C2)C(\CCC)=C\CCC |r,c:22|
22377 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccc(Br)cc1 |r,c:15|
22378 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1cccc(OC)c1 |r,c:15|
22379 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCC)=C\CCC)c1ccc2ccccc2c1 |r,c:15|
22380 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CC)=C\CC)c1ccccc1 |r,c:15|
22381 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(\CCCCC)=C\CCCCC)c1ccccc1 |r,c:15|
22382 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(C)CCCC)c1ccccc1 |r,c:15|
22383 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C(C)CCCCCCCC)c1ccccc1 |r,c:15|
22384 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C)C2)c1ccccc1 |r,t:15|
22385 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:15|
22386 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)C1CCCCC1)c1ccccc1 |r,c:15|
22387 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(CCCCCCCCCCCC)C2)c1ccccc1 |r,t:15|
22388 [H][C@]12CCC[C@@]1(Nc1ccccc1)C(=C(C2)c1ccccc1)c1ccccc1 |r,c:15|
22389 [H][C@]12CCC[C@@]1(Nc1cccc(F)c1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:16|
22390 [H][C@]12CCC[C@@]1(Nc1ccc(Cl)cc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:16|
22391 [H][C@]12CCC[C@@]1(Nc1cccc(C)c1C)C(=C(CCCCCC)C2)c1ccccc1 |r,t:17|
22392 [H][C@]12CCC[C@@]1(Nc1ccc(OC(F)(F)F)cc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:20|
22393 [H][C@]12CCC[C@@]1(Nc1ccc(cc1)C(C)(C)C)C(=C(CCCCCC)C2)c1ccccc1 |r,t:19|
22394 [H][C@]12CCC[C@@]1(Nc1ccc(I)cc1)C(=C(CCCCCC)C2)c1ccccc1 |r,t:16|
22395 [H][C@]12CCC[C@@]1(Nc1cccc3ccccc13)C(=C(CCCCCC)C2)c1ccccc1 |r,t:20|
22396 COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)N2C |TLB:18:17:6.7:10.9.4|
22397 COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)N2C |TLB:19:18:6.7:10.9.4|
22398 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccccc1 |TLB:0:1:4.3:7.8.6|
22399 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
22400 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
22401 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
22402 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
22403 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
22404 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
22405 COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:28:27:15.16:19.18.13|
22406 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(Cl)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
22407 COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:30:29:17.18:21.20.15|
22408 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(F)cc1 |TLB:0:1:4.3:7.8.6|
22409 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)cc1 |TLB:0:1:4.3:7.8.6|
22410 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(Br)c1 |TLB:0:1:4.3:7.8.6|
22411 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(cc1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
22412 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1cccc(c1)[N+]([O-])=O |TLB:0:1:4.3:7.8.6|
22413 COc1ccc(cc1)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:28:27:15.16:19.18.13|
22414 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Cl)c(Cl)c1 |TLB:0:1:4.3:7.8.6|
22415 COc1ccc(cc1OC)-c1cnc(s1)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C |TLB:30:29:17.18:21.20.15|
22416 Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
22417 CNCCC(Oc1ccccc1OC)c1ccccc1
22418 [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
22419 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)c1ccc(C)cc1)c1ncc(s1)-c1ccc(Br)cc1 |TLB:0:1:4.3:7.8.6|
22420 Cc1ccc(cc1)-n1cc(CNCC2CCCCC2)c2ccccc12
22421 C(NCc1cn(-c2ccccc2)c2ccccc12)C1CCCCC1
22423 CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1
22424 CN(C)CCOc1ccc(cc1)C(=C(\CCCCl)c1ccccc1)\c1ccc(O)cc1
22425 CN(C)CCOc1ccc(cc1)C(=C(\CCC#N)c1ccccc1)\c1ccc(O)cc1
22426 CN(C)CCOc1ccc(cc1)C(=C(\CCCC#N)c1ccccc1)\c1ccc(O)cc1
22427 CN(C)CCOc1ccc(cc1)C(=C(\CCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
22428 CN(C)CCOc1ccc(cc1)C(=C(\CCCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
22429 CSCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
22430 CN(C)CCOc1ccc(cc1)C(=C(\CCCC(O)=O)c1ccccc1)\c1ccc(O)cc1
22431 CNCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
22432 CN(C)CCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
22433 CN(C)CCOc1ccc(cc1)C(=C(\CCCNC(C)=O)c1ccccc1)\c1ccc(O)cc1
22434 CN(C)CCOc1ccc(cc1)C(=C(\CCO)c1ccccc1)\c1ccc(O)cc1
22435 CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
22436 CN(C)CCOc1ccc(cc1)C(=C(\CCCCO)c1ccccc1)\c1ccc(O)cc1
22438 CC(C)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
22439 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
22440 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)c(O)c1
22441 CC(C)(C)Oc1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
22442 CCN(CC)c1ccc(\C=N\NC(=O)c2ccccc2)cc1
22443 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(N)cc2)cc1
22444 CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(F)cc2)cc1
22445 CCN(CC)c1ccc(cc1)C(C)=NNC(=O)c1ccc(O)cc1 |w:13.14|
22446 CC(C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(O)cc1
22447 CCN(CC)c1ccc(C=NNS(=O)(=O)c2ccc(O)cc2)cc1 |w:10.10|
22449 OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r|
22450 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)[C@H]1O[C@@H](CSc2ccncc2)C[C@H](O1)c1ccccc1 |r|
22451 CCC1(C)SC(NC2CCCCC2)=NC1=O |c:13|
22453 CCCC1(C)SC(NC2CCCCC2)=NC1=O |c:14|
22454 CCC1(C)SC(NCC2CCCCC2)=NC1=O |c:14|
22455 CCCC1(C)SC(NCC2CCCCC2)=NC1=O |c:15|
22456 CCC1(C)SC(NC2CCCCCC2)=NC1=O |c:14|
22457 CCCC1(C)SC(NC2CCCCCC2)=NC1=O |c:15|
22458 CCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:15|
22459 CCCC1(C)SC(NC2CCCCCCC2)=NC1=O |c:16|
22460 CCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:14|
22461 CCCC1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O |c:15|
22462 CCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:15|
22463 CCCC1(C)SC(NC23CCC(CC2)C3)=NC1=O |c:16|
22464 CCC1(C)SC(NC2C3CCC2CC3)=NC1=O |c:15,TLB:6:7:9.10:12.13|
22465 CCCC1(C)SC(NC2C3CCC2CC3)=NC1=O |c:16,TLB:7:8:10.11:13.14|
22466 CCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:18,TLB:14:13:7.8:10,6:7:10:13.12.15,6:7:12:9.10.15,THB:8:7:12:9.10.15,8:9:7.14:12,14:7:10:13.12.15|
22467 CCCC1(C)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16|
22468 CCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:19,TLB:16:7:14:10.11.12,THB:16:11:14:8.7.15,15:7:10:14.13.12,15:13:10:8.7.16,6:7:14:10.11.12|
22469 CCCC1(C)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13|
22470 CCC1(CC)SC(NC2CCCCCCC2)=NC1=O |c:16|
22471 O=C1N=C(NC2CCCCCCC2)SC11CCCC1 |t:2|
22472 CCC1(CC)SC(NC23CC4CC2CC(C3)C4)=NC1=O |c:19,TLB:15:14:8.9:11,7:8:11:14.13.16,7:8:13:10.11.16,THB:9:8:13:10.11.16,9:10:8.15:13,15:8:11:14.13.16|
22473 O=C1N=C(NC23CC4CC2CC(C3)C4)SC11CCCC1 |t:2,TLB:12:11:5.6:8,4:5:8:11.10.13,4:5:10:7.8.13,THB:6:5:10:7.8.13,6:7:5.12:10,12:5:8:11.10.13|
22474 CCC1(CC)SC(NC23CC4CC(CC(C4)C2)C3)=NC1=O |c:20,TLB:17:8:15:11.12.13,THB:17:12:15:9.8.16,16:8:11:15.14.13,16:14:11:9.8.17,7:8:15:11.12.13|
22475 O=C1N=C(NC23CC4CC(CC(C4)C2)C3)SC11CCCC1 |t:2,TLB:14:5:12:8.9.10,THB:14:9:12:6.5.13,13:5:8:12.11.10,13:11:8:6.5.14,4:5:12:8.9.10|
22477 CCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22478 CCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22479 CCCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22480 CCCCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22481 CCCCCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22482 OC(=O)CC(c1ccccc1)c1ccc(OCCCC(F)(F)F)cc1
22483 C\C=C\COc1ccc(cc1)C(CC(O)=O)c1ccccc1
22484 COCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22485 CC(=C)CCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22486 CC(C)CCOc1ccc(cc1)C(CC(O)=O)c1ccccc1
22487 CCC(C)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
22488 CCC(CC)COc1ccc(cc1)C(CC(O)=O)c1ccccc1
22489 CCCCOc1ccc(cc1)C(CC(O)=O)c1cccc(F)c1
22490 CCCCOc1ccc(cc1)C(CC(O)=O)c1cccc(c1)C(F)(F)F
22491 CCCCOc1ccc(cc1)C(CC(O)=O)c1ccc(cc1)C(F)(F)F
22492 CCCCOc1ccc(cc1)C(CC(O)=O)c1cccs1
22493 CCCCOc1ccc(cc1)C(CC(O)=O)c1ccccc1O
22494 CCCCCOc1cccc(c1)C(CC(O)=O)c1ccccc1
22495 CCCCOc1ccc(cc1)C(CCCC(O)=O)c1ccccc1
22496 OC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
22497 OC(=O)C1CC1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
22498 OC(=O)CCc1cccc(NCc2cccc(Oc3ccccc3)c2)c1
22499 OC(=O)CCCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
22500 CC(C(O)=O)c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
22501 OC(=O)Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
22502 OC(=O)CCc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
22503 OC(=O)C1CC1c1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
22504 OC(=O)CCc1cccc(NCc2ccc(cc2)-c2ccccc2)c1
22505 OC(=O)CCCc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
22506 CC(C(O)=O)c1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
22507 OC(=O)Cc1ccc(NCc2ccc(cc2)-c2ccccc2)cc1
22508 OC(=O)CCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1
22509 OC(=O)CCc1ccc(NCc2ccc3ccccc3c2)cc1
22510 OC(=O)CCc1ccc(NCc2cccc(Br)c2)cc1
22511 OC(=O)CCc1ccc(NCc2ccc(Cl)s2)cc1
22512 OC(=O)CCc1ccc(NCc2ccc(cc2)C(F)(F)F)cc1
22513 OC(=O)CCc1ccc(NCc2ccccc2Cl)cc1
22514 Cc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1
22515 OC(=O)CCc1ccc(NCc2cccc(F)c2)cc1
22516 OC(=O)CCc1ccc(NCc2cc(cnc2Cl)C(F)(F)F)cc1
22517 OC(=O)CCc1ccc(NCc2ccccc2)cc1
22518 OC(=O)CCc1ccc(NCc2cccnc2)cc1
22519 CN(C)Cc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1
22520 OC(=O)CCc1ccc(NCc2ccc3OCOc3c2)cc1
22521 OC(=O)CCc1ccc(NCc2ccc(cc2)C(O)=O)cc1
22522 OC(=O)CCc1ccc(NCc2ccc(O)cc2)cc1
22523 OC(=O)CCc1ccc(NCc2ccc(cc2)C#N)cc1
22524 COc1ccc(CNc2ccc(CCC(O)=O)cc2)cc1
22525 NC(=O)c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
22526 OC(=O)CCc1ccc(NCc2ncc[nH]2)cc1
22527 CS(=O)(=O)Nc1cccc(CNc2ccc(CCC(O)=O)cc2)c1
22528 OC(=O)CCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1
22529 CC1(C)COC(=N1)c1cccc(Cc2cnc[nH]2)c1 |c:5|
22530 CNCCc1cnc[nH]1
22531 N#Cc1cccc(Cc2cnc[nH]2)c1
22532 C(c1cnc[nH]1)c1ccccc1
22533 C(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
22534 C(c1cnc[nH]1)c1cccc(c1)-c1ccccn1
22535 C(c1cnc[nH]1)c1cccc(c1)-c1ccncc1
22536 CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
22537 CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1
22538 C(c1cnc[nH]1)c1cccc(c1)C#Cc1ccccc1
22539 C(c1cnc[nH]1)c1cccc(c1)C#Cc1cccc2ccccc12
22540 CCCC#Cc1cccc(Cc2cnc[nH]2)c1
22541 NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
22542 C(C1CCNCC1)c1cnc[nH]1
22543 CC1(C)COC(=N1)c1ccc(Cc2cnc[nH]2)cc1 |c:5|
22544 N#Cc1ccc(Cc2cnc[nH]2)cc1
22545 Brc1ccc(Cc2cnc[nH]2)cc1
22546 CC(C)(C)C#Cc1ccc(Cc2cnc[nH]2)cc1
22547 Nc1ccc(Cc2cnc[nH]2)cc1
22548 CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6|
22549 C(c1cnc[nH]1)c1cccc(c1)C1=NC2(CCCC2)CO1 |t:14|
22550 C(c1cnc[nH]1)c1cccc(c1)C1=NCC2(CCCCC2)O1 |t:14|
22551 C(C1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)C1CCCCC1 |c:4|
22552 C([C@@H]1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)c1ccccc1 |r,c:4|
22553 CC1(C)COC(=NC1)c1cccc(Cc2cnc[nH]2)c1 |c:5|
22555 CN1CCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
22556 CN1CCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
22557 CN1CCN(CCCOc2ccc(-c3nc4ccc(cc4[nH]3)C(C)(C)C)c(Cl)c2)CC1
22558 CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1
22559 CN(C)C1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)C1
22560 CN1CCCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
22561 CN1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
22562 CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
22563 CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
22564 CN1CCCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
22565 CN1CCN(CCCOc2ccc(cc2)-c2nc3ccc(Cl)cc3[nH]2)CC1
22566 CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
22567 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
22568 [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
22569 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](C)CO)c2c1 |r|
22571 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](C)CO)c2c1 |r|
22572 CC[C@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 |r|
22573 CC[C@@H](CO)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 |r|
22574 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)CCSC)c2c1 |r|
22575 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](CO)CCSC)c2c1 |r|
22576 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@@H](CO)c3ccccc3)c2c1 |r|
22577 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N[C@H](CO)c3ccccc3)c2c1 |r|
22578 Cc1[nH]n(-c2ccc(cc2C)S(O)(=O)=O)c(=O)c1N=Nc1cc(ccc1C(O)=O)S(O)(=O)=O |w:18.19|
22579 NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1N
22580 Cc1[nH]n(-c2ccc(Cl)cc2S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)Oc1ccc(C)cc1 |w:18.19|
22581 Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1cc(Cl)cc(c1C(O)=O)S(O)(=O)=O |w:17.18|
22582 Cc1[nH]n(-c2ccc(cc2)S(O)(=O)=O)c(=O)c1N=Nc1ccc(c(C)c1)S(=O)(=O)Nc1ccccc1 |w:17.18|
22583 Cc1[nH]n(-c2cc(Cl)c(cc2Cl)S(O)(=O)=O)c(=O)c1N=Nc1ccc(cc1)S(O)(=O)=O |w:19.20|
22584 OS(=O)(=O)Oc1c([nH]c2ccc(Br)cc12)-c1sc2c(ccc3cccc(Cl)c23)c1OS(O)(=O)=O
22585 O=C1NS(=O)(=O)Nc2nc[nH]c12
22586 NC(=O)c1ncn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c1NC=O
22587 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r|
22588 O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O |r|
22589 NCC(=O)N[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
22590 Nc1nc2NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
22591 OC(=O)CCCc1ccc2ccc3ccccc3c2c1
22592 CN(C)c1ccc2[nH+]c3c(cc(=O)c(O)c3oc2c1)C(O)=O
22593 CC(C)(C)c1ccc(OC(=O)Nc2ccc(O)c(c2)C(O)=O)cc1
22594 COc1cc2ccccc2c2cc(oc12)[N+]([O-])=O
22595 CC(C)(C)c1ccc(OCC(=O)Nc2cccc(c2)C(O)=O)cc1
22596 CCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O)C(C)CC)C(N)=O
22597 N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
22598 OP(O)(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F
22599 OP(O)(=O)Oc1c[nH]c2ccc(Br)c(Cl)c12
22600 C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(=C)CCO2 |TLB:10:9:13.14:20.16.19.18,THB:15:14:8.9:20.16.19.18,17:16:13.14:8.9|
22601 C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)C(CSc1cccc(C=O)c1)CCO2 |TLB:10:9:13.14:29.16.28.27,THB:15:14:8.9:29.16.28.27,17:16:13.14:8.9|
22602 OCCCCCCCCO
22603 CCCCCO
22605 CCCCCCCO
22606 CCCCCCCCO
22607 CCCCCCCCCO
22608 CN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22609 CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22610 CN1CCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22611 CN1CCCCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22612 CN1CCC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22613 CC1CCN(C)C1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22614 C[C@H]1C[C@H](N(C)C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22615 C[C@@H]1C[C@H](N(C)C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22616 CC1CCC(N1C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22617 CN1C[C@H](O)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22618 CO[C@@H]1C[C@H](N(C)C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22619 CCO[C@@H]1C[C@H](N(C)C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22620 CN1C[C@@H](C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)OCc1ccccc1 |r|
22621 CN1C[C@H](C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)NS(C)(=O)=O |r|
22622 CN1C[C@H](C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)NC(C)=O |r|
22623 CN1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22624 CN1C[C@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22625 CN1CC(F)(F)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22626 CN1CC[C@@H](O)C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C |r|
22627 CN1CC[C@H](C[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)OCc1ccccc1 |r|
22628 CN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22629 CN1CCSCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22630 CN1CCS(=O)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22631 CN1CCS(=O)(=O)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22632 CN1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22633 CN1CC(=O)N(C)CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22634 CN1CCNCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22635 CCN1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22636 CC(C)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22637 CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(=O)OC(C)(C)C
22638 CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O
22639 CN1CCN(C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(C)=O
22640 CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)C(=O)c1ccccc1
22641 CN(C)CC(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22642 CCNC(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22643 CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(C)(=O)=O
22644 CN1CCN(CC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C)S(=O)(=O)c1ccccc1
22645 CN(C)S(=O)(=O)N1CCN(C)C(C1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22646 CN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22647 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCCN1
22648 CCN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22649 CC(=O)N1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
22650 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C1COCCN1C(=O)OC(C)(C)C
22651 CN1CCOCC1c1nc(C(=O)NCc2ccccc2)c(O)c(=O)n1C
22652 CN1CCOCC1c1nc(C(=O)NCCc2ccccc2)c(O)c(=O)n1C
22653 CN(Cc1ccccc1)C(=O)c1nc(C2COCCN2C)n(C)c(=O)c1O
22654 CN1CCOCC1c1nc(C(=O)NCc2ccccc2F)c(O)c(=O)n1C
22655 CN1CCOCC1c1nc(C(=O)NCc2cccc(F)c2)c(O)c(=O)n1C
22656 CN1CCOCC1c1nc(C(=O)NCc2cccc(Cl)c2)c(O)c(=O)n1C
22657 CN1CCOCC1c1nc(C(=O)NCc2cccc(Br)c2)c(O)c(=O)n1C
22658 COc1cccc(CNC(=O)c2nc(C3COCCN3C)n(C)c(=O)c2O)c1
22659 CN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(F)c2)c(O)c(=O)n1C
22660 CN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(C)c2)c(O)c(=O)n1C
22661 CN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c(=O)n1C
22662 CN1CCOCC1c1nc(C(=O)NCc2ccc(F)c(Br)c2)c(O)c(=O)n1C
22663 Oc1c(nc[nH]c1=O)C(=O)NCc1ccc(F)cc1
22664 CC(N(C)C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22666 CN(C)C1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22667 CN(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22668 CN(C)C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22669 Oc1c(nc2C(CCCn2c1=O)N1CCCC1)C(=O)NCc1ccc(F)cc1
22670 Oc1c(nc2C(CCCn2c1=O)N1CCCCC1)C(=O)NCc1ccc(F)cc1
22671 Oc1c(nc2C(CCCn2c1=O)N1CCOCC1)C(=O)NCc1ccc(F)cc1
22672 Oc1c(nc2C(CCCCn2c1=O)N1CCOCC1)C(=O)NCc1ccc(F)cc1
22673 CN(Cc1ccccc1)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22674 CN(Cc1ccccc1)C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22675 Oc1c(nc2CCCn2c1=O)C(=O)NCc1ccc(F)cc1
22676 Oc1c(nc2CCCCn2c1=O)C(=O)NCc1ccc(F)cc1
22677 Oc1c(nc2CCCCCn2c1=O)C(=O)NCc1ccc(F)cc1
22678 CN(C1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(C)=O
22679 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(C)=O
22680 CN(C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(C)=O
22681 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)C(F)F
22682 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)Cn1cccn1
22683 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)c1nc2ncccn2n1
22684 CN(C)S(=O)(=O)CC(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22685 CN(C)S(=O)(=O)CC(=O)N(C)[C@@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22686 CN(C)S(=O)(=O)CC(=O)N(C)[C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22687 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)CS(C)(=O)=O
22688 CN(C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)C(=O)CS(C)(=O)=O
22689 CS(=O)(=O)CC(=O)NC1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22690 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(C)(=O)=O
22691 CN(C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(C)(=O)=O
22692 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)c1c(C)nn(C)c1C
22693 CN(C)S(=O)(=O)N(C)C1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22694 CN(C)S(=O)(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22695 CN(C)S(=O)(=O)N(C)[C@@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22696 CN(C)S(=O)(=O)N(C)[C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22697 CN(C)S(=O)(=O)N(C)C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22698 CN1CCCN(C2CCCn3c2nc(C(=O)NCc2ccc(F)cc2)c(O)c3=O)S1(=O)=O
22699 CN1CCCN(C2CCCCn3c2nc(C(=O)NCc2ccc(F)cc2)c(O)c3=O)S1(=O)=O
22700 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)N1CCCC1
22701 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)N1CCCCC1
22702 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)N1CCOCC1
22703 CN(C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)N1CCN(C)CC1
22704 CN([C@@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)N1CCN(C)CC1 |r|
22705 CN([C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O)S(=O)(=O)N1CCN(C)CC1 |r|
22706 CN(C)C(=O)C(=O)N(C)C1CCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22707 CN(C)C(=O)C(=O)N(C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22708 CN(C)C(=O)C(=O)N(C)[C@@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22709 CN(C)C(=O)C(=O)N(C)[C@H]1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22710 CN(C)C(=O)C(=O)N(C)C1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
22711 CN(C)C(=O)C(=O)N(C)[C@@H]1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22712 CN(C)C(=O)C(=O)N(C)[C@H]1CCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O |r|
22713 Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCc1ccccc1
22714 Oc1c(nc([nH]c1=O)-c1cccs1)C(=O)NCc1ccc(F)cc1
22715 Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22716 Oc1c(nc([nH]c1=O)-c1ccccc1)C(=O)NCc1ccccc1
22717 Oc1c(nc(Cc2ccccc2)[nH]c1=O)C(=O)NCc1ccc(F)cc1
22718 CN(C)C(c1ccccc1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22719 CN(C)Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22720 CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1
22722 O=C(C(=O)c1ccccc1)c1ccccc1
22723 CC(=O)Oc1ccccc1[N+]([O-])=O
22724 CC(=O)C(=O)c1ccccc1
22725 CC(=O)C(C)=O
22726 O=C(c1ccccc1)c1ccccc1
22727 O=C(CC(=O)c1ccccc1)c1ccccc1
22728 OC(C(=O)c1ccccc1)c1ccccc1
22729 OC(C(O)c1ccccc1)c1ccccc1
22730 Fc1ccc(cc1)C(=O)C(=O)c1ccc(F)cc1
22731 Clc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
22732 Clc1ccccc1C(=O)C(=O)c1ccccc1Cl
22733 Brc1ccc(cc1)C(=O)C(=O)c1ccc(Br)cc1
22734 Fc1cc(F)cc(c1)C(=O)C(=O)c1cc(F)cc(F)c1
22735 Fc1cc(cc(F)c1F)C(=O)C(=O)c1cc(F)c(F)c(F)c1
22736 OC(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
22737 Clc1ccc(cc1)C(=O)C(=O)c1ccccc1
22738 Cc1ccc(cc1)C(=O)C(=O)c1ccc(Cl)cc1
22739 Cc1ccc(cc1)C(=O)C(=O)c1ccccc1
22740 Cc1ccc(cc1)C(=O)C(=O)c1ccc(C)cc1
22741 Cc1ccc(cc1C)C(=O)C(=O)c1ccccc1
22742 COc1ccc(cc1)C(=O)C(=O)c1ccccc1
22743 COc1ccc(cc1)C(=O)C(=O)c1ccc(OC)cc1
22744 COc1cccc(c1)C(=O)C(=O)c1cccc(OC)c1
22745 COc1ccc(cc1OC)C(=O)C(=O)c1ccccc1Cl
22746 BrCc1ccc(cc1)C(=O)C(=O)c1ccccc1
22747 [O-][N+](=O)c1cc(ccc1Br)C(=O)C(=O)c1ccc(Br)c(c1)[N+]([O-])=O
22748 Cc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccccc1
22749 [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1
22750 [O-][N+](=O)c1ccc(C(=O)C(=O)c2ccccc2)c(c1)[N+]([O-])=O
22751 [O-][N+](=O)c1cccc(c1)C(=O)C(=O)c1cccc(c1)[N+]([O-])=O
22752 Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1
22753 Oc1ccc(Br)cc1C(=O)C(=O)c1cc(Br)ccc1O
22754 Oc1ccc(C(=O)C(=O)c2ccc(O)cc2O)c(O)c1
22755 Oc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(O)c(c1)[N+]([O-])=O
22756 COc1ccc(cc1[N+]([O-])=O)C(=O)C(=O)c1ccc(OC)c(c1)[N+]([O-])=O
22757 CN(C)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)N(C)C
22758 Fc1c(F)c(F)c(C(=O)C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(F)c1F
22759 O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccccc1
22760 COc1ccc(cc1)C(O)C(=O)c1ccc(OC)cc1
22761 CN(C)c1ccc(cc1)C(=O)C(O)c1ccccc1
22762 OC(=O)c1ccc(cc1)C(=O)c1ccccc1
22763 CC(=O)CCC(=O)c1ccccc1
22764 COC(OC)(C(=O)c1ccccc1)c1ccccc1
22765 CCC(=O)C(C)=O
22766 CC(=O)CC(C)=O
22767 CC1CCC(=O)C1=O
22768 CC1C(=O)CCC1=O
22769 CCCCC(=O)C(C)=O
22770 O=C1CCCC(=O)C1
22771 CC1CCCC(=O)C1=O
22772 CC1C(=O)CCCC1=O
22773 CC1CC(C)(C)CC(=O)C1=O
22774 O=C1C=CC(=O)C=C1 |c:2,6|
22775 CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C |c:10,t:4|
22776 ClC1=C(Cl)C(=O)C(=O)C(Cl)=C1Cl |c:1,9|
22777 CC1NC(=O)C(=O)OC1C
22778 Clc1cc2[nH]c(=O)c(=O)[nH]c2cc1Cl
22779 O=S(=O)(Cc1ccccc1)Cc1ccccc1
22780 O=S(=O)(Cc1ccccc1)c1ccccc1
22781 O=S(Cc1ccccc1)Cc1ccccc1
22782 ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O |c:1,t:7|
22783 OCN1C(=O)C(=O)c2ccccc12
22784 ClN1C(=O)C(=O)c2ccccc12
22785 BrCCN1C(=O)C(=O)c2ccccc12
22786 ICCN1C(=O)C(=O)c2ccccc12
22787 CC(=O)N1C(=O)C(=O)c2ccccc12
22788 ClCC(=O)N1C(=O)C(=O)c2ccccc12
22789 CCC(=O)N1C(=O)C(=O)c2ccccc12
22790 CCCC(=O)N1C(=O)C(=O)c2ccccc12
22791 OC(=O)CN1C(=O)C(=O)c2ccccc12
22792 NC(=O)CN1C(=O)C(=O)c2ccccc12
22793 O=C1N(c2ccccc2C1=O)c1ccccc1
22794 O=C1N(Cc2ccccc2)c2ccccc2C1=O
22795 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
22796 Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
22797 Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
22798 Cc1cc(C)c(NCN2C(=O)C(=O)c3ccccc23)cc1C
22799 CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
22800 CC(C)(C)c1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
22801 COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC
22802 O=C1N(CNc2ccc3ccccc3c2)c2ccccc2C1=O
22803 Clc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
22804 Brc1ccccc1NCN1C(=O)C(=O)c2ccccc12
22805 Brc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
22806 Oc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)cc1
22807 Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc23)c1
22808 CCc1cccc2NC(=O)C(=O)c12
22809 Clc1cccc2NC(=O)C(=O)c12
22810 Cc1ccc2NC(=O)C(=O)c2c1
22811 COc1ccc2NC(=O)C(=O)c2c1
22812 Fc1ccc2NC(=O)C(=O)c2c1
22813 Clc1ccc2NC(=O)C(=O)c2c1
22814 Brc1ccc2NC(=O)C(=O)c2c1
22815 Ic1ccc2NC(=O)C(=O)c2c1
22816 FC(F)(F)Oc1ccc2NC(=O)C(=O)c2c1
22817 [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1
22818 CC(=C)CN1C(=O)C(=O)c2cc(Br)ccc12
22819 CCc1ccc2C(=O)C(=O)Nc2c1
22820 Clc1ccc2C(=O)C(=O)Nc2c1
22821 Cc1cccc2C(=O)C(=O)Nc12
22822 Fc1cccc2C(=O)C(=O)Nc12
22823 Clc1cccc2C(=O)C(=O)Nc12
22824 COc1cccc2C(=O)C(=O)Nc12
22825 FC(F)(F)c1cccc2C(=O)C(=O)Nc12
22826 OC(=O)c1cccc2C(=O)C(=O)Nc12
22827 Cc1ccc(C)c2C(=O)C(=O)Nc12
22828 Cc1cc2C(=O)C(=O)Nc2c(C)c1
22829 Clc1ccc2NC(=O)C(=O)c2c1Cl
22830 Clc1cc2NC(=O)C(=O)c2c(Cl)c1
22831 Clc1ccc(Cl)c2C(=O)C(=O)Nc12
22832 Clc1cc2NC(=O)C(=O)c2cc1Cl
22833 Clc1cc2C(=O)C(=O)Nc2c(Cl)c1
22834 Clc1ccc2C(=O)C(=O)Nc2c1Cl
22835 Cc1ccc(Cl)c2C(=O)C(=O)Nc12
22836 Cc1cc(Cl)cc2C(=O)C(=O)Nc12
22837 Cc1c2NC(=O)C(=O)c2ccc1Cl
22838 Cc1cc2C(=O)C(=O)Nc2cc1Br
22839 O=C1N(CN2CCSCC2)c2ccccc2C1=O
22840 O=C1N(CN2CCCCC2)c2ccccc2C1=O
22841 O=C1N(CN2CCOCC2)c2ccccc2C1=O
22842 CCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
22843 CCCCCCCCCCCCCCCCN1C(=O)C(=O)c2ccccc12
22844 O=C1N(CCN2C(=O)C(=O)c3ccccc23)c2ccccc2C1=O
22845 O=C1N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc45)cc3)cc2)c2ccccc2C1=O
22846 COc1ccccc1C(=O)C(=O)c1ccccc1OC
22847 CCOc1ccc(cc1)C(=O)C(=O)c1ccc(OCC)cc1
22848 [O-][N+](=O)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)[N+]([O-])=O
22849 Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1
22850 O=C(C1CCCCC1)C(=O)C1CCCCC1
22851 O=C1C=Cc2ccccc2C1=O |c:2|
22852 O=C1Cc2ccccc2C1=O
22853 O=c1c2cccc3cccc(c23)c1=O
22854 [O-][N+](=O)c1ccc2c3c(ccc([N+]([O-])=O)c13)c(=O)c2=O
22855 O=C1N2CCCc3cccc(C1=O)c23
22856 O=C1N2CCCc3cccc(C(=O)C1=O)c23
22857 O=C1C(=O)c2ccccc2-c2ccccc12
22858 [O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
22859 O=c1c2cccc3cc4ccccc4c(c23)c1=O
22860 O=C1C(=O)c2cccnc2-c2ncccc12
22862 Cc1ncc(CCN)[nH]1
22863 NCCc1cnc([nH]1)-c1cccc(Br)c1
22864 NCCc1cnc(CCC(c2ccccc2)c2ccccc2)[nH]1
22865 NCCc1ccccn1
22866 NCCc1nccs1
22867 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
22868 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]-[#6]-c2cccnc-12
22869 CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
22870 Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1 |t:13|
22871 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
22872 CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12
22873 CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1
22874 CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
22875 OCCOCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
22876 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
22877 CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1
22879 CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
22880 Cc1nc[nH]c1CCN
22881 Cc1nc(N)sc1CCN
22882 Cc1nc(N)[se]c1CCN
22883 CN(C)CCCSC(N)=N
22884 Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
22885 C[C@@H](Cc1cnc[nH]1)N=C(N)NCCSCc1[nH]cnc1C |w:9.10|
22886 C[C@H](Cc1cnc[nH]1)N=C(N)NCCSCc1[nH]cnc1C |w:9.10|
22887 Nc1ccc(cc1)C(=O)NCCNC(NC#N)=NCCCOc1cccc(CN2CCCCC2)c1 |w:17.18|
22888 CNC(=S)NCCCCc1cnc[nH]1
22889 CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
22890 OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
22891 [#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
22892 CC(C)NC=Nc1ccc(cc1)-c1c[nH]cn1 |w:5.5|
22893 CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
22894 CCNC(=S)NCCCCc1cnc[nH]1
22895 CCCNC(=S)NCCCCc1cnc[nH]1
22896 CC(C)NC(=S)NCCCCc1cnc[nH]1
22897 S=C(NCCCCc1cnc[nH]1)NCc1ccccc1
22898 S=C(NCCCCc1cnc[nH]1)NCCc1ccccc1
22899 CCNC(=S)NCCCCCc1cnc[nH]1
22900 CC(C)NC(=S)NCCCCCc1cnc[nH]1
22901 S=C(NCCCCCc1cnc[nH]1)NC1CCCCC1
22902 Clc1ccc(CNC(=S)NCCCCCc2cnc[nH]2)cc1
22904 C[C@@H](N)Cc1cnc[nH]1 |r|
22905 C[C@H](N)Cc1cnc[nH]1
22906 NCCCc1cnc[nH]1
22907 NCCCCc1cnc[nH]1
22908 NCCCCCc1cnc[nH]1
22909 CN1CCC(Cc2cnc[nH]2)CC1
22910 C(c1cnc[nH]1)c1ccncc1
22911 NC(=N)SCCc1cnc[nH]1
22912 NC(=N)SCCCc1cnc[nH]1
22913 NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
22914 S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
22915 C(COCc1ccccc1)Cc1cnc[nH]1
22916 Ic1ccc(COCCCc2cnc[nH]2)cc1
22917 NC(=O)c1cn(cn1)C(CO)CCc1ccccc1
22918 NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(6.29,.5,;7.62,1.27,;8.95,.5,;7.62,2.81,;6.27,3.55,;4.88,2.89,;3.82,4.01,;4.56,5.36,;6.07,5.08,;2.28,4.01,;1.16,5.06,;-.19,4.32,;.09,2.81,;-1.24,2.04,;-2.57,2.81,;-3.91,2.04,;-4.38,.58,;-5.92,.58,;-6.95,-.57,;-8.46,-.25,;-8.94,1.22,;-7.91,2.36,;-6.4,2.04,;-5.15,2.95,;1.62,2.62,)|
22919 NC(=O)c1cn(cn1)C(CO)CCc1cccc2ccccc12
22920 Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12 |r|
22921 NC(=O)c1cn(cn1)C(CO)c1ccccc1
22922 OCC(c1ccccc1)n1cnc(c1)C(O)=O
22923 COC(=O)c1cn(cn1)C(CO)c1ccccc1
22924 OCC(c1ccccc1)n1cnc(CO)c1
22925 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
22926 CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
22927 CC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
22928 CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
22929 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3ccccc3)cc12 |r|
22930 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCc3ccccc3)cc12 |r|
22931 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCc3ccccc3)cc12 |r|
22932 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCCc3ccccc3)cc12 |r|
22933 Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|
22934 COc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|
22935 Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|
22936 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3cccnc3)cc12 |r|
22937 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)NCc3ccccc3)cc12 |r|
22938 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccccc3)cc12 |r|
22939 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCCc3ccccc3)cc12 |r|
22940 CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
22941 CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
22942 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccc(Cl)cc3)cc12 |r|
22943 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2cc(OCCCc3ccccc3)ccc12 |r|
22944 CCCCCCOc1ccc2n(CC[C@H](CO)n3cnc(c3)C(N)=O)ccc2c1 |r|
22945 Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccccc3)ccc12 |r|
22946 CCCCCCOc1ccc2n(C)cc(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
22947 Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r|
22948 C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r|
22949 C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O |r|
22950 C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(c1)C(N)=O |r|
22951 CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
22952 COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
22953 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCO)c2c1
22954 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(NC(C)=O)cc3)c2c1
22955 COc1ccc(OC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1
22956 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(SC)cc3)c2c1
22957 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccccc3SC)c2c1
22958 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3ccc(F)cc3)c2c1
22959 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Oc3cccnc3)c2c1
22960 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(SC)cc3)c2c1
22961 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccc(F)cc3)c2c1
22962 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1
22963 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N3CCCCC3)c2c1
22964 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)N(C)CCc3ccccc3)c2c1
22965 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(N)=O)c2c1
22966 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3ccccc3)c2c1
22967 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCc3ccccc3)c2c1
22968 COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(=O)NCCc3ccccc3)c2c1
22969 COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(=O)OCCc3ccccc3)c2c1
22970 COc1ccc2n(Cc3ccc(Br)cc3)c(C)c(CC(O)=O)c2c1
22971 Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
22972 CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
22973 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl
22974 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl
22975 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl
22976 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccccc2)c1Cl
22977 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccc(cc2)[N+]([O-])=O)c1Cl
22978 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCc2ccccc2)c1Cl
22979 COC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
22980 Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCC(O)=O)c1Cl
22981 CCOC(=O)CC(C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |r|
22982 CCOC(=O)CC(NC(=S)NC(=O)c1ccccc1)C1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 |r|
22983 CCOC(=O)CC(NC(=O)Nc1cccc(NC(=O)NC(CC(=O)OCC)C2O[C@H]3OC(C)(C)O[C@H]3[C@@H]2OCc2ccccc2)c1)C1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 |r|
22984 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|
22985 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
22986 C(CCCn1c-2c(CCSc3ccccc-23)c2ccccc12)CCN1CCCCC1
22987 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22988 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
22989 CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22990 CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22991 CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22992 CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22993 Oc1ccc2[nH]cc(CCNC(=O)CCCCC3CCSS3)c2c1
22994 CCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22995 CCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
22996 Oc1ccc2[nH]cc(CCNC(=O)CCCCCCc3ccccc3)c2c1
22997 Oc1ccc2[nH]cc(CCNC(=O)CCCCCCCc3ccccc3)c2c1
22998 Oc1ccc2[nH]cc(CCNC(=O)CCCCCCCCc3ccccc3)c2c1
22999 CCCCCc1cccc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
23000 Oc1ccc2[nH]cc(CCNC(=O)Cc3cccc(c3)-c3ccccc3)c2c1
23001 CCCCCc1cccc(c1)-c1cccc(CCCC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
23002 CCCCCc1ccc2ccc(CCCC(=O)NCCc3c[nH]c4ccc(O)cc34)cc2c1
23003 CC(C)(C)c1ccc(CNC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
23004 CCCCCc1cccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
23005 Oc1ccc2[nH]cc(CCNC(=O)NCCc3ccccc3)c2c1
23006 Oc1ccc2[nH]cc(CCNC(=O)NCCc3ccc(Cl)cc3)c2c1
23007 Oc1ccc2[nH]cc(CCNC(=O)Nc3cccc(c3)-c3ccccc3)c2c1
23008 Oc1ccc2[nH]cc(CCNC(=O)NCCc3ccc(cc3)-c3ccccc3)c2c1
23009 Oc1ccc2[nH]cc(CCNC(=O)NCCc3ccc(Oc4ccccc4)cc3)c2c1
23010 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12
23011 CC\C=C/C\C=C/C\C=C/CCCCCCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12
23012 CCCCC\C=C/C\C=C/C\C=C/CCCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12
23013 CCCCC\C=C/C\C=C/CCCCCCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12
23014 CCCCCc1cccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
23015 Oc1ccc2[nH]cc(CCNC(=O)Oc3cccc(c3)-c3ccccc3)c2c1
23016 CC(C)(C)c1cccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)c1
23017 CC(C)(C)c1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
23018 Oc1ccc2[nH]cc(CCNC(=O)Oc3cccc(c3)C(F)(F)F)c2c1
23019 Oc1ccc2[nH]cc(CCNC(=O)Oc3ccc(cc3)C(F)(F)F)c2c1
23020 Oc1ccc2[nH]cc(CCNC(=O)Oc3cccc(Cl)c3)c2c1
23021 Oc1ccc2[nH]cc(CCNC(=O)Oc3ccc(Cl)cc3)c2c1
23022 Oc1ccc2[nH]cc(CCNC(=O)Oc3cccc(I)c3)c2c1
23023 Oc1ccc2[nH]cc(CCNC(=O)Oc3ccc(I)cc3)c2c1
23024 Oc1ccc2[nH]cc(CCNC(=O)Oc3ccc4ccccc4c3)c2c1
23025 COc1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1
23026 Oc1ccc2[nH]cc(CCNC(=O)Oc3ccc(OCc4ccccc4)cc3)c2c1
23027 O=C(CCCCCCc1cccs1)c1ncc(o1)-c1ccccn1
23028 CCCCCCCC\C=C/CCCCCCCC(N)=O
23029 O=C(CCCCCCc1ccsc1)c1ncc(o1)-c1ccccn1
23030 O=C(CCCCCCc1cccc2ccccc12)c1ncc(o1)-c1ccccn1
23031 O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(o1)-c1ccccn1
23032 O=C(CCCCCCc1ccccn1)c1ncc(o1)-c1ccccn1
23033 O=C(CCCCCCc1cccnc1)c1ncc(o1)-c1ccccn1
23034 Cc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23035 OC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23036 Cc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23037 Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23038 COc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23039 COc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23040 COc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23041 Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23042 Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23043 CC(C)(C)OC(=O)Nc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23044 CC(C)(C)OC(=O)Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23045 Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23046 Fc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23047 Fc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23048 CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23049 CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23050 CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23051 [O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23052 FC(F)(F)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23053 FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23054 FC(F)(F)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23055 COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23056 COC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23057 COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23058 OC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23059 OC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23060 Clc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23061 Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23062 Clc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23063 Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
23064 CS(=O)(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
23065 CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23066 CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23067 CCCCCCc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
23068 CCCCCCc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
23069 O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23070 O=C(COc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23071 O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(o1)-c1ccccn1
23072 O=C(COc1cccc(OCc2ccccc2)c1)c1ncc(o1)-c1ccccn1
23073 O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23074 O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23075 O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23076 O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23077 O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
23078 O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1
23079 O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
23080 O=C(CCCCC#Cc1ccccn1)c1ncc(o1)-c1ccccn1
23081 O=C(CCCCC#Cc1cccnc1)c1ncc(o1)-c1ccccn1
23082 O=C(CCCCC#Cc1ccncc1)c1ncc(o1)-c1ccccn1
23083 O=C(CCCCC#Cc1ccccc1)c1ncc(o1)-c1ccccn1
23084 CC(C)(C)OC(=O)Nc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23085 CC(C)(C)OC(=O)Nc1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23086 Fc1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23087 Fc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23088 Fc1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23089 [O-][N+](=O)c1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23090 [O-][N+](=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23091 [O-][N+](=O)c1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23092 FC(F)(F)c1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23093 FC(F)(F)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23094 FC(F)(F)c1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23095 COC(=O)c1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23096 COC(=O)c1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23097 COC(=O)c1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23098 Clc1ccccc1C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23099 Clc1cccc(c1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23100 Clc1ccc(cc1)C#CCCCCC(=O)c1ncc(o1)-c1ccccn1
23101 Clc1cccc(C#CCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
23102 O=C(COCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
23103 O=C(CSCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
23104 O=C(CS(=O)CCCCc1ccccc1)c1ncc(o1)-c1ccccn1
23105 O=C(CS(=O)(=O)CCCCc1ccccc1)c1ncc(o1)-c1ccccn1
23106 O=C(CCOCCCc1ccccc1)c1ncc(o1)-c1ccccn1
23107 CN(CCCc1ccccc1)CCC(=O)c1ncc(o1)-c1ccccn1
23108 O=C(CCCOCCc1ccccc1)c1ncc(o1)-c1ccccn1
23109 CN(CCCC(=O)c1ncc(o1)-c1ccccn1)CCc1ccccc1
23110 O=C(CCCCOCc1ccccc1)c1ncc(o1)-c1ccccn1
23111 CN(CCCCC(=O)c1ncc(o1)-c1ccccn1)Cc1ccccc1
23112 O=C(CCCCSCc1ccccc1)c1ncc(o1)-c1ccccn1
23113 O=C(CCCCS(=O)Cc1ccccc1)c1ncc(o1)-c1ccccn1
23114 O=C(CCCCS(=O)(=O)Cc1ccccc1)c1ncc(o1)-c1ccccn1
23115 O=C(CCCCCOc1ccccc1)c1ncc(o1)-c1ccccn1
23116 CN(CCCCCC(=O)c1ncc(o1)-c1ccccn1)c1ccccc1
23117 O=C(CCCCCSc1ccccc1)c1ncc(o1)-c1ccccn1
23118 O=C(CCCCCS(=O)c1ccccc1)c1ncc(o1)-c1ccccn1
23119 O=C(CCCCCS(=O)(=O)c1ccccc1)c1ncc(o1)-c1ccccn1
23120 O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
23121 O=C(CCC(=O)c1ncc(o1)-c1ccccn1)NCCc1ccccc1
23122 O=C(CCCC(=O)c1ncc(o1)-c1ccccn1)NCc1ccccc1
23123 O=C(CCCCC(=O)c1ncc(o1)-c1ccccn1)Nc1ccccc1
23124 OC(CCCCCc1ccccc1)C(=O)c1ncc(o1)-c1ccccn1
23125 OC(CCCCc1ccccc1)CC(=O)c1ncc(o1)-c1ccccn1
23126 OC(CCCc1ccccc1)CCC(=O)c1ncc(o1)-c1ccccn1
23127 OC(CCCC(=O)c1ncc(o1)-c1ccccn1)CCc1ccccc1
23128 OC(CCCCC(=O)c1ncc(o1)-c1ccccn1)Cc1ccccc1
23129 OC(CCCCCC(=O)c1ncc(o1)-c1ccccn1)c1ccccc1
23130 COC(=O)CCC(=O)c1ncc(o1)-c1ccccn1
23131 COC(=O)CCCC(=O)c1ncc(o1)-c1ccccn1
23132 COC(=O)CCCCC(=O)c1ncc(o1)-c1ccccn1
23133 O=C(C1CC1)c1ncc(o1)-c1ccccn1
23134 O=C(C1CCCC1)c1ncc(o1)-c1ccccn1
23135 ClCC(=O)c1ncc(o1)-c1ccccn1
23136 O=C(CCCCc1ccccc1)CC(=O)c1ncc(o1)-c1ccccn1
23137 OC(CCCCCc1ccccc1)C(O)c1ncc(o1)-c1ccccn1
23138 CN(CCCCc1ccccc1)CC(O)c1ncc(o1)-c1ccccn1
23139 CCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O
23140 Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N |r,c:24|
23141 CCN(CC)Cc1c(O)ccc(C=O)c1O
23142 Oc1ccc(C=O)c(O)c1CN1CCCC1
23143 Oc1ccc(C=O)c(O)c1CN1CCCCC1
23144 Oc1ccc(C=O)c(O)c1CN1CCOCC1
23145 CN1CCN(Cc2c(O)ccc(C=O)c2O)CC1
23146 Oc1ccc(C=O)c(O)c1CN1CCN(CC1)c1ccnc2cc(Cl)ccc12
23147 CCN(CC)Cc1c(O)ccc(C=NNC(N)=S)c1O |w:12.11|
23148 NC(=S)NN=Cc1ccc(O)c(CN2CCCC2)c1O |w:5.5|
23149 NC(=S)NN=Cc1ccc(O)c(CN2CCCCC2)c1O |w:5.5|
23150 NC(=S)NN=Cc1ccc(O)c(CN2CCOCC2)c1O |w:5.5|
23151 CN1CCN(Cc2c(O)ccc(C=NNC(N)=S)c2O)CC1 |w:12.11|
23152 NC(=S)NN=Cc1ccc(O)c(CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)c1O |w:5.5|
23153 NC(=O)NN=Cc1ccc(O)c(CN2CCN(CC2)c2ccnc3cc(Cl)ccc23)c1O |w:5.5|
23154 NC(=S)NN=Cc1ccc(O)cc1O |w:5.5|
23155 CCN(CC)Cc1c(O)ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c1O |w:12.11|
23156 Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCCC1 |w:5.4|
23157 Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCCCC1 |w:5.4|
23158 Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCOCC1 |w:5.4|
23159 CN1CCN(Cc2c(O)ccc(C=NNC(=O)NCCNc3ccnc4cc(Cl)ccc34)c2O)CC1 |w:12.11|
23160 Oc1ccc(C=NNC(=O)NCCNc2ccnc3cc(Cl)ccc23)c(O)c1CN1CCN(CC1)c1ccnc2cc(Cl)ccc12 |w:5.4|
23163 CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1
23164 CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r|
23165 CCCCCCCCc1ccc(CC[C@](N)(CO)COP(O)(O)=O)cc1 |r|
23166 O=c1[nH]oc2ccccc12
23167 N[C@H](CO)C(O)=O
23168 FC(F)(F)c1cccc2o[nH]c(=O)c12
23169 Fc1cccc2o[nH]c(=O)c12
23170 Brc1ccc2o[nH]c(=O)c2c1
23171 Ic1ccc2o[nH]c(=O)c2c1
23172 [O-][N+](=O)c1ccc2o[nH]c(=O)c2c1
23173 Fc1ccc2c(c1)o[nH]c2=O
23174 Clc1ccc2c(c1)o[nH]c2=O
23175 Cc1ccc2c(c1)o[nH]c2=O
23176 COc1ccc2c(c1)o[nH]c2=O
23177 CCOc1ccc2c(c1)o[nH]c2=O
23178 [O-][N+](=O)c1ccc2c(c1)o[nH]c2=O
23179 FC(F)(F)c1ccc2c(c1)o[nH]c2=O
23180 Fc1c(ccc2c1o[nH]c2=O)C(F)(F)F
23181 Fc1cccc2c1o[nH]c2=O
23182 Cc1cccc2c1o[nH]c2=O
23183 NCc1cc(=O)[nH]o1
23184 Cc1c(C[C@H](N)C(O)=O)o[nH]c1=O |r|
23185 O=c1[nH]oc2CCCCc12
23186 COc1noc2cc(Cl)ccc12
23187 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23188 OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
23189 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23190 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23191 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23192 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23193 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23194 [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23195 [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23196 [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23197 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23198 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23199 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23200 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23201 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23202 [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CCC1[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O |r,t:3|
23203 [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)C3CC[C@@]12C)C(O)=O |r,t:15|
23204 [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:15|
23205 [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CCC1C(C)(C)[C@@H](O)CC[C@]21C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:3|
23206 [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)CCC1C(C)(C)[C@@H](O)[C@H](O)C[C@]21C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:3|
23207 [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
23208 [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
23209 [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
23210 [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)C1[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(O)=O |r,t:3|
23211 [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO |t:9|
23212 [H][C@]12CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@@]4(CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@@]1([H])[C@](C)(CO)[C@@H](O)[C@H](O)C[C@]21C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |t:3|
23213 [H][C@](O)(C([O-])=O)[C@]([H])(OCC([O-])=O)C([O-])=O |r|
23214 [H][C@](O)(C(O)=O)[C@]([H])(CCC(O)=O)C(O)=O |r|
23215 [H][C@](O)(C([O-])=O)[C@]([H])(SCC([O-])=O)C([O-])=O |r|
23216 OC(=O)CSCC(=O)C(O)=O
23217 [H][C@](O)(C(O)=O)C(=C/CCO)\C(O)=O |r|
23218 [H][C@](O)(C(O)=O)C(=C\CCO)\C(O)=O |r|
23219 [H][C@](O)(C(O)=O)C(=C/CCC(O)=O)\C(O)=O |r|
23220 [H][C@](O)(C(O)=O)C(=C\CCC(O)=O)\C(O)=O |r|
23221 [H][C@](O)(C(O)=O)[C@]([H])(C=C)C(O)=O |r|
23222 NC(=O)C(O)=O
23223 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|
23224 COc1cc(COc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
23225 OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1
23226 COc1cc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O
23227 COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1
23228 COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1
23229 COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1
23230 OC(=O)CC(=O)C(O)=O
23231 OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1C#N
23232 OC(=O)c1no[nH]c1=O
23233 CC(O)C(O)=O
23234 Nc1nonc1C(O)=O
23235 OCCNc1nonc1C(O)=O
23236 OC(=O)c1cnon1
23237 OC(=O)Cc1no[nH]c1=O
23238 Clc1ccc(COC(=O)c2no[nH]c2=O)cc1Cl
23239 CCOC(=O)c1no[nH]c1=O
23240 OC(=O)c1nonc1OC\C=C\c1ccccc1
23241 CCOC(=O)c1nonc1OCc1ccc(OC)cc1
23242 OC(=O)c1co[nH]c1=O
23243 OC(=O)c1nocc1O
23244 Cc1o[nH]c(=O)c1C(O)=O
23245 Cn1occ(C(O)=O)c1=O
23246 COc1nocc1C(O)=O
23247 CCOC(=O)c1co[nH]c1=O
23248 COC(=O)c1c(C)[nH]oc1=O
23249 CCOC(=O)c1c[nH]oc1=O
23250 OC(=O)c1noc(C(O)=O)c1O
23251 OC(=O)c1ns[nH]c1=O
23252 Nc1nsnc1C(O)=O
23253 COc1nsnc1C(O)=O
23254 Cn1nnc(O)c1C(O)=O
23255 Cn1nc(C(O)=O)c(=O)[nH]1
23256 OC(=O)c1c(O)nnn1Cc1ccccc1
23257 OC(=O)c1nn(Cc2ccccc2)[nH]c1=O
23258 OC(=O)c1cnn[nH]1
23259 Oc1ccc(CCNC(=O)CN(CC(=O)NCc2cc(F)cc(c2)C(F)(F)F)C(=O)Cn2c(cc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC(=O)N(CC(=O)NCCc2ccc(O)cc2)CC(=O)NCc2cc(F)cc(c2)C(F)(F)F)cc1 |r|
23260 COc1ccc(CCNC(=O)CN(CC(=O)NC2CC2c2ccccc2)C(=O)Cn2c(cc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC(=O)N(CC(=O)NCCc2ccc(OC)cc2)CC(=O)NC2CC2c2ccccc2)cc1 |r|
23261 COc1cccc(CCNC(=O)CN(CC(=O)NC2CCCc3ccccc23)C(=O)Cn2c(cc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2cc3ccccc3n2CC(=O)N(CC(=O)NCCc2cccc(OC)c2)CC(=O)NC2CCCc3ccccc23)c1 |r|
23262 COC(=O)c1cc2c3CCN(C(=O)c4nc5ccc(NC(=O)c6cc(NC(=O)OC(C)(C)C)cs6)cc5o4)c3ccc2[nH]1
23263 O=C(NCCc1ccccc1)[C@H]1CN(C[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1 |r|
23264 O=C(NCc1ccccc1)[C@H]1CN(C[C@@H]1C(=O)NC1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)NC1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1 |r|
23265 CCC1CN(CC(=O)N1Cc1ccc(C)cc1)C(=O)C=Cc1ccccc1 |w:20.22|
23266 ONC(=O)\C=C\c1ccc(cc1)C#N
23267 ONC(=O)\C=C\c1ccc(Br)cc1
23268 ONC(=O)\C=C\c1ccc(F)cc1
23269 COc1ccc(\C=C\C(=O)NO)cc1
23270 CC(C)(C)c1ccc(\C=C\C(=O)NO)cc1
23271 Cc1ccc(\C=C\C(=O)NO)cc1
23272 ONC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
23273 ONC(=O)\C=C\c1ccc(Cl)c(Cl)c1
23274 ONC(=O)\C=C\c1ccc(Cl)cc1Cl
23275 ONC(=O)CCc1ccc(Cl)cc1Cl
23276 ONC(=O)C#Cc1ccc(Cl)cc1Cl
23277 ONC(=O)\C=C(/F)c1ccccc1
23278 ONC(=O)c1ccc2cc(Cl)ccc2c1
23279 ONC(=O)c1ccc2cc(Br)ccc2c1
23280 ONC(=O)C1=Cc2ccc(Cl)cc2C1 |t:4|
23281 ONC(=O)c1cc2ccc(Cl)cc2s1
23282 ONC(=O)c1cc2ccc(Cl)cc2[nH]1
23283 Cn1c(cc2ccc(Cl)cc12)C(=O)NO
23284 ONC(=O)\C=C\c1ccc(Cl)cc1F
23285 ONC(=O)\C=C\c1ccc(Cl)cc1Br
23286 COc1cc(Cl)ccc1\C=C\C(=O)NO
23287 CSc1cc(Cl)ccc1\C=C\C(=O)NO
23288 Nc1cc(Cl)ccc1\C=C\C(=O)NO
23289 Cc1cc(Cl)ccc1\C=C\C(=O)NO
23290 ONC(=O)\C=C\c1ccc(Cl)cc1C(F)(F)F
23291 ONC(=O)\C=C\c1ccc(Cl)cc1O
23292 ONC(=O)\C=C\c1ccc(Cl)cc1[N+]([O-])=O
23293 CS(=O)(=O)c1cc(Cl)ccc1\C=C\C(=O)NO
23294 ONC(=O)\C=C\c1ccc(Cl)cc1C#N
23295 ONC(=O)\C=C\c1ccc(Cl)cc1
23296 [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12)OC(C)=O |r|
23297 [H][C@@]12C[C@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCC(=O)OC)NCCNc1ccnc2cc(Cl)ccc12 |r|
23298 [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCC(=O)OC)NCCNc1ccnc2cc(Cl)ccc12 |r|
23299 Clc1ccc2c(NCCCN(CCCNc3ccnc4cc(Cl)ccc34)CCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
23300 Nc1ccnc2cc(Cl)ccc12
23301 NCCNc1ccnc2cc(Cl)ccc12
23302 NCCCNc1ccnc2cc(Cl)ccc12
23303 [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCC(=O)OC)OC(C)=O |r|
23304 [H][C@@]12C[C@H](N)CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCC(=O)OC |r|
23305 [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)C(C)CCC(=O)OC)OCCNc1ccnc2cc(Cl)ccc12 |r|
23306 [H][C@@]12C[C@@H](CC[C@]1(C)C1C[C@H](OC(C)=O)[C@]3(C)[C@H](CCC3C1[C@@H](C2)OC(C)=O)[C@H](C)CCC(=O)OC)OCCNCCNc1ccnc2cc(Cl)ccc12 |r|
23307 O=C(CSc1nc(nc2ccccc12)C1CCCCC1)NCc1ccco1
23308 Cc1ccccc1CCN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=O)NCc1ccccc1
23309 CCCCCCN1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1
23311 O=C1N(C(=S)NC1(c1ccccc1)c1ccccc1)c1ccccc1
23312 CCCCCCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
23313 CCCCCCCCN1C(=S)NC(C1=O)(c1ccccc1)c1ccccc1
23314 CCCCCCCCN1C(=S)NC(C1=O)(c1ccc(Br)cc1)c1ccc(Br)cc1
23315 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NCCCCCCCCCC#C)c1
23316 O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1
23317 CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC |r|
23318 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
23319 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1 |r|
23320 O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)C1CCCCC1 |r|
23321 O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1 |r|
23322 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(c(F)c1F)C(F)(F)F |r|
23323 CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1 |r|
23324 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccc(O)cc1 |r|
23325 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1 |r|
23326 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1 |r|
23327 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCCc1ccccc1 |r|
23328 CCCCC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC |r|
23329 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCc1ccccc1 |r|
23330 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1 |r|
23331 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1 |r|
23332 CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1 |r|
23333 CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1 |r|
23334 CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1 |r|
23335 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.31|
23336 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(C)cc3C21 |TLB:14:16:18.19.20:24.34.22|
23337 COc1cccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc12 |TLB:14:13:9.10.11:32.7.30|
23338 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(Cl)cc3C21 |TLB:14:16:18.19.20:24.34.22|
23339 COc1ccc2C3C4CCCC(N4C(=O)C(=O)c4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
23340 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3c(Cl)cccc3C21 |TLB:14:16:18.19.20:24.34.22|
23341 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(Cl)ccc3C21 |TLB:14:16:18.19.20:24.34.22|
23342 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cccc(F)c3C21 |TLB:14:16:18.19.20:24.34.22|
23343 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccccc3C21 |TLB:14:16:18.19.20:24.33.22|
23344 COc1cc(cc(OC)c1OC)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3ccc(F)cc3C21 |TLB:14:16:18.19.20:24.34.22|
23345 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
23346 COc1cc(OC)cc(c1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:12:14:16.17.18:22.35.20|
23347 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23348 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.29|
23349 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23350 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23351 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23352 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(F)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23353 CCc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18|
23354 COc1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:10:12:14.15.16:20.33.18|
23355 COc1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)ccc2[nH]ncc12
23356 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4O)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23357 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccc(Cl)c4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
23358 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccccc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23359 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccc(Cl)cc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
23360 CCN(CC)c1ccc(cc1)C(=O)C(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:13:15:17.18.19:23.36.21|
23361 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(Cl)ccc4Cl)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
23362 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.34|
23363 COc1cc2CCN3C(C4CCCC(N4C(=O)C(O)c4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23364 COc1cc2CCN3C(C4CCCC(N4C(=O)Cc4ccc(Cl)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23365 COc1cc2CCN3C(C4CCCC(N4C(=O)C(F)(F)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.32|
23366 COc1cc2CCN3CC4CCCC(C3c2c(OC)c1)N4C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 |TLB:21:20:12.11.10:7.14.8|
23367 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccs4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
23368 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccnc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23369 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccncc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23370 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccco4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
23371 COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc5ccccc5[nH]4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.28|
23372 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(Br)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23373 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23374 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(C)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23375 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.30|
23376 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23377 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(C)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23378 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.32|
23379 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
23380 CCc1ccc(cc1)S(=O)(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21 |TLB:8:11:13.14.15:19.32.17|
23381 COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Nc5cc(OC)c(OC)c(OC)c5)cc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.37|
23382 COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4C)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.25|
23383 COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4OC)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23384 COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(cc4)[N+]([O-])=O)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.27|
23385 COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
23386 COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(F)cc4F)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
23387 COc1ccc2C3C4CCCC(N4S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)C(=O)N3CCc2c1 |r,TLB:13:12:8.9.10:26.6.24|
23388 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)c(F)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:27.6.25|
23389 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)nc4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:26.6.24|
23390 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(OC)nc4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:27.6.25|
23391 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)c(F)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:28.6.26|
23392 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(Cl)nc4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:26.6.24|
23393 COc1ccc2C3C4CCCC(N4S(=O)(=O)N4CCCCC4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:24.6.22|
23394 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)cc4F)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:28.6.26|
23395 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(nc4)N4CCOCC4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
23396 COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:31.6.29|
23397 COc1cc(OC)cc(c1)N1C=C2C3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC1=O |t:12,TLB:19:18:14.15.16:37.12.35|
23398 Fc1ccc(Cc2ccc(o2)C(=O)CC(=O)c2nnc[nH]2)cc1
23399 OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
23400 OC(=O)C(=O)CC(=O)c1cccc(Cc2ccccc2)c1
23401 CC[C@H](CO)n1cc(C(O)=O)c(=O)c2cc(Cc3cccc(Cl)c3F)ccc12 |r|
23402 Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
23403 COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
23404 COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(OC)c2ncccc12
23405 COc1c2CN(Cc3ccc(F)cc3)C(=O)c2cc2ncccc12
23406 C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
23407 OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
23408 Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
23409 COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
23410 COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
23411 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
23412 COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
23413 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1
23414 COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
23415 COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
23416 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
23417 O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
23418 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
23419 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
23420 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
23421 Cc1ccc(o1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1
23423 Cn1c(SCc2nc(no2)-c2cccs2)nnc1-c1c[nH]c2ccccc12
23424 COc1ccc(cc1)N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)cc1
23425 CCS(=O)(=O)Nc1cccc(c1)C1=NN(C(C1)c1cccs1)C(C)=O |t:13|
23426 COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nncs1
23427 Cc1ccc(o1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(F)cc1
23428 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NC1CC1)c1ccc(C)cc1
23429 COc1cccc(c1)N(CC(=O)NC1CCCC1)S(=O)(=O)c1ccccc1
23430 Nc1nc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cs1
23431 CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccco1 |t:12|
23432 CCCCCCCC([O-])=O
23433 CCCCCCCCCC([O-])=O
23434 CCCCCCCCCCCC([O-])=O
23435 COc1ccc(cc1)C([O-])=O
23436 CCCc1ccc(cc1)-c1ccc(cc1)C([O-])=O
23437 CCCCCCCc1ccc(cc1)C([O-])=O
23438 CCCCCC\C=C\c1ccc(cc1)C([O-])=O
23439 CCCCCCCOc1ccc(cc1)C([O-])=O
23440 CCCCCCCOc1ccc(CC([O-])=O)cc1
23441 CCCCCCCOc1ccc(cc1O)C([O-])=O
23442 CCCCCCCOc1ccc(cc1OC)C([O-])=O
23443 CCCCCCCOc1ccc(cc1[N+]([O-])=O)C([O-])=O
23444 CCCCCCCOc1ccc(cc1Cl)C([O-])=O
23445 CCCCCCCOc1cccc(c1)C([O-])=O
23446 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
23447 OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O
23448 CCCCOC(=O)c1ccc(O)cc1
23449 Oc1cc(O)c2ccccc2c1
23450 Oc1cccc2ccccc12
23451 Oc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12
23452 COC(=O)[C@]1(C[C@@H]1C(=O)NO)c1cccc(OCc2ccccc2)c1 |r|
23454 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23455 Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(N)=O)c2ccccc2n1 |r|
23456 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |r|
23457 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(Oc2ccccc2)c1 |r|
23458 CC(C)OC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23459 Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(=O)NCc2ccccc2)c2ccccc2n1 |r|
23460 NC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccccc2)c1 |r|
23461 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OC)c1 |r|
23462 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cccc(OC)c2)c1 |r|
23463 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cccc(c2)C(F)(F)F)c1 |r|
23464 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(cc2)C(F)(F)F)c1 |r|
23465 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc(Cl)cc2)c1 |r|
23466 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cccc(F)c2)c1 |r|
23467 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2ccc3ccccc3c2)c1 |r|
23468 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCCc2ccccc2)c1 |r|
23469 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCCc2ccc3ccccc3c2)c1 |r|
23470 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCCc2cccc(\C=C/C=C)c2)c1 |r|
23471 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(Oc2ccc3ccccc3c2)c1 |r|
23472 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(Oc2ccccc2C)c1 |r|
23473 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(Oc2ccc(C)cc2)c1 |r|
23474 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCC#CC)c1 |r|
23475 COC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCC2CCCCC2)c1 |r|
23476 CCOC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23477 CC(C)NC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23478 CNC(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23479 CN(C)C(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23480 Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(=O)Nc2ccccc2)c2ccccc2n1 |r|
23481 CN(Cc1ccccc1)C(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23482 Cc1cc(COc2cccc(c2)[C@]2(C[C@H]2C(=O)NO)C(=O)NC2CCCCC2)c2ccccc2n1 |r|
23483 CN1CCN(CC1)C(=O)[C@@]1(C[C@H]1C(=O)NO)c1cccc(OCc2cc(C)nc3ccccc23)c1 |r|
23484 COC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r|
23485 COC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
23486 NC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
23487 Cc1cc(COc2ccc(C[C@@]3(C[C@@H]3C(=O)NO)C(N)=O)cc2)c2ccccc2n1 |r|
23488 CNC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r|
23489 CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO |r|
23490 COC(=O)[C@@]1(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C[C@@H]1C(=O)NO |r|
23491 COC(=O)[C@@]1(Cc2ccc(OCc3ccccc3Cl)cc2)C[C@@H]1C(=O)NO |r|
23492 COC(=O)[C@@]1(Cc2ccc(OCCc3cccc4ccccc34)cc2)C[C@@H]1C(=O)NO |r|
23493 COC(=O)[C@@]1(Cc2ccc(OCCc3ccc4ccccc4c3)cc2)C[C@@H]1C(=O)NO |r|
23494 CCOC(=O)[C@@]1(Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
23495 COC(=O)[C@@]1(Cc2ccc(OCC3CCCCC3)cc2)C[C@@H]1C(=O)NO |r|
23496 COC(=O)[C@@]1(Cc2ccc(OCC#CC)cc2)C[C@@H]1C(=O)NO |r|
23497 CC#CCOc1ccc(C[C@@]2(C[C@@H]2C(=O)NO)C(N)=O)cc1 |r|
23498 CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO |r|
23500 CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
23501 CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
23502 CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
23503 CC#CCN(C)c1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
23504 CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(NCC#CCO)cc2)(CC1)C(=O)NO
23505 CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCNCC1)C(=O)NO
23506 CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
23507 CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
23508 CCN(CC)C(=O)N1CCC(CS(=O)(=O)c2ccc(NCC#CC)cc2)(CC1)C(=O)NO
23509 CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1C)C(=O)NO
23510 CCC(C)C(=O)N1CCC(CS(=O)(=O)c2ccc(NCC#CC)cc2)(CC1)C(=O)NO
23511 CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)C(C)C)C(=O)NO
23512 CC#CCNc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO |r|
23513 CC#CC(C)Oc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
23514 CC#CC(C)(C)Oc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)S(=O)(=O)C(C)C)C(=O)NO
23515 OC(=O)c1cccnc1
23517 COc1ccc(OCC(=O)Nc2ccccc2C(O)=O)cc1
23518 OC(=O)c1ccccc1NC(=O)CCc1ccc2ccccc2c1
23519 OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccccc1
23520 OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl
23521 OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccccn1
23522 OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cn1
23523 OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc[nH]1
23524 OC(=O)c1ccccc1NC(=O)CCc1ccc(s1)-c1ccc(O)cc1Cl
23525 OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cc1Cl
23526 Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1
23527 OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cc1
23528 OC(=O)c1ccccc1NC(=O)CCc1nnc(o1)-c1ccc(O)cc1
23529 OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-n1cc(O)cn1
23530 OC(=O)c1ccccc1NC(=O)CCc1cnc(s1)-c1ccc(O)cn1
23531 OC(=O)c1ccccc1NC(=O)CCc1ncc(s1)-c1ccc(O)cn1
23532 OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1
23533 OC(=O)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(O)cn1
23534 CC(C)NC(=O)c1cc2cc(C)ccc2oc1=O
23535 Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCC1
23536 Cc1ccc2oc(=O)c(cc2c1)C(=O)NC1CCCCCCCCCCC1
23537 Cc1ccc2oc(=O)c(cc2c1)C(=O)NC12CC3CC(CC(C3)C1)C2 |THB:18:17:19.20.24:23,18:19:17.22.16:23,20:19:16:22.23.21,20:21:16:18.19.24|
23538 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
23539 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1ccccc1
23540 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccccc1
23541 Cc1ccc2oc(=O)c(cc2c1)C(=O)NCc1cccc2ccccc12
23542 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cnc2ccccc2c1
23543 O=C(Nc1ccccc1)c1cc2ccccc2oc1=O
23544 ClCc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
23545 [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
23546 Brc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
23547 Clc1cc(Cl)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
23548 Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1
23549 COc1cc(Br)cc2cc(C(=O)Nc3ccccc3)c(=O)oc12
23550 COc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12
23551 O=C(Nc1ccccc1)c1cc2c(ccc3ccccc23)oc1=O
23552 Oc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
23553 COc1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
23554 CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=O)oc2c1
23555 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1Cl
23556 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cccc(Cl)c1
23557 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccc(Cl)cc1
23558 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1ccccc1C
23559 Cc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1
23560 Cc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1
23561 O=C(Oc1ccccc1)c1cc2ccccc2oc1=O
23562 Cc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1
23563 ClCc1ccc2oc(=O)c(cc2c1)C(=O)Oc1ccccc1
23564 Cc1ccc2oc(=O)c(cc2c1)C(=O)Nc1cc(C)cc(C)c1
23565 Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
23566 Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1
23567 Cc1cccc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
23568 Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Br)c3oc2=O)c1
23569 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](=O)-[#6]Cl
23570 CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc1ccccc1C(O)=O
23571 CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)ccc2[nH]ncc12
23572 CCN(CC)S(=O)(=O)c1cc(ccc1-c1ccccc1)C(=O)Nc1ccccc1C(O)=O
23573 CCN(CC)S(=O)(=O)c1cc(cc(C)c1Br)C(=O)Nc1ccccc1C(O)=O
23574 CCN(CC)S(=O)(=O)c1cc(ccc1OC)C(=O)Nc1ccccc1C(O)=O
23575 CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)Nc1ccccc1C(O)=O
23576 CCN(CC)S(=O)(=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1ccccc1C(O)=O
23577 CCN(CC)S(=O)(=O)c1cc(ccc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23578 CCN(CC)S(=O)(=O)c1cc(ccc1OCC1CCCC1)C(=O)Nc1ccccc1C(O)=O
23579 OC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccccc2)c1
23580 OC(=O)c1ccccc1NC(=O)c1ccc(F)c(Oc2ccccc2)c1
23581 OC(=O)c1ccccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
23582 OC(=O)c1ccccc1NC(=O)c1ccc(N2CCNCC2)c(Oc2ccccc2)c1
23583 CN1CCN(CC1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23584 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
23585 CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23586 OC(=O)c1c(O)cccc1NC(=O)c1ccc(Br)c(Oc2ccccc2)c1
23587 OC(=O)c1c(O)cccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccccc1
23588 CC1CN(CC(C)N1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23589 OC(=O)c1ccccc1NC(=O)c1ccc(N2CCOCC2)c(Oc2ccccc2)c1
23590 OC(=O)c1ccccc1NC(=O)c1ccc(N2CCSCC2)c(Oc2ccccc2)c1
23591 OC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1
23592 CC1CC(C)CN(C1)c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23593 OC(=O)c1ccccc1NC(=O)c1ccc(-c2cn[nH]c2)c(Oc2ccccc2)c1
23594 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccnc1
23595 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(cc1)C(F)(F)F
23596 Cc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23597 OC(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23598 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(O)cc1
23599 CCOc1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23600 CC(C)c1cccc(c1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23601 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1cccc(OC(F)(F)F)c1
23602 Cc1cc(ccc1F)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23603 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(Cl)c1
23604 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)c(F)c1
23605 Cc1cc(ccc1Cl)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O
23606 OC(=O)c1ccccc1NC(=O)c1ccc(c(Oc2ccccc2)c1)-c1ccc(F)cc1F
23607 OC(=O)c1sccc1NC(=O)c1cccc(Oc2ccccc2)c1
23608 OC(=O)c1ccsc1NC(=O)c1cccc(Oc2ccccc2)c1
23609 OC(=O)c1ncccc1NC(=O)c1cccc(Oc2ccccc2)c1
23610 OC(=O)c1cccnc1NC(=O)c1cccc(Oc2ccccc2)c1
23611 OC(=O)c1c(F)cccc1NC(=O)c1cccc(Oc2ccccc2)c1
23612 OC(=O)c1c(O)cccc1NC(=O)c1cccc(Oc2ccccc2)c1
23613 OC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccncc2)c1
23614 OC(=O)c1cccc(Oc2cccc(c2)C(=O)Nc2ccccc2C(O)=O)c1
23615 OC(=O)c1ccc(Oc2cccc(c2)C(=O)Nc2ccccc2C(O)=O)cc1
23616 OC(=O)c1ccccc1NC(=O)c1cccc(Oc2ccc(F)cc2)c1
23617 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)ncnc12
23618 O[C@@H]1[C@@H](CSCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r,wU:2.2,44.51,wD:1.0,45.50,(15.72,-6.42,;16.68,-5.22,;16.26,-3.73,;16.26,-2.19,;14.93,-1.42,;13.6,-2.19,;12.26,-1.42,;10.93,-2.19,;9.6,-1.42,;9.6,.12,;8.26,-2.19,;6.93,-1.42,;5.59,-2.19,;4.26,-1.42,;2.93,-2.19,;1.59,-1.42,;.26,-2.19,;.26,-3.73,;-1.07,-1.42,;-2.41,-2.19,;-3.74,-1.42,;-3.74,.12,;-2.41,.89,;-1.07,.12,;-2.41,2.43,;-.88,2.63,;-2.81,3.91,;-5.07,.89,;-6.41,.12,;-6.41,-1.42,;-7.74,-2.19,;-9.08,-1.42,;-10.41,-2.19,;-9.08,.12,;-7.74,.89,;-7.74,2.43,;-6.41,3.2,;-6.41,4.74,;-5.07,5.51,;-5.07,7.05,;-3.74,4.74,;-3.74,3.2,;-5.07,2.43,;17.55,-2.88,;18.75,-3.84,;18.22,-5.28,;19.07,-6.56,;19.15,-2.35,;18.22,-1.12,;19.1,.14,;20.58,-.31,;21.9,.49,;21.87,2.03,;23.2,2.8,;24.54,2.03,;25.87,2.8,;27.2,2.03,;27.2,.49,;25.87,-.28,;24.54,.49,;28.54,-.28,;28.54,-1.82,;29.87,.49,;23.25,-.26,;23.27,-1.8,;21.96,-2.59,;20.61,-1.85,)|
23619 Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
23620 OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
23621 OCCNc1nc(N2CCCCC2)c2nc(NCCO)nc(N3CCCCC3)c2n1
23622 OCCN(CCO)c1nc(N2CCCC2)c2nc(nc(N3CCCC3)c2n1)N(CCO)CCO
23623 OCCNc1nc(N2CCCC2)c2nc(NCCO)nc(N3CCCC3)c2n1
23624 OCCN(CCO)c1nc(N2CCOCC2)c2nc(nc(N3CCOCC3)c2n1)N(CCO)CCO
23625 OCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1
23626 CN1CCN(CC1)c1nc(nc2c(nc(nc12)N(CCO)CCO)N1CCN(C)CC1)N(CCO)CCO
23627 CC(C)(C)OC(=O)N1CCN(CC1)c1nc(nc2c(nc(nc12)N(CCO)CCO)N1CCN(CC1)C(=O)OC(C)(C)C)N(CCO)CCO
23628 OCCN(CCO)c1nc(N2CCNCC2)c2nc(nc(N3CCN(CC3)C(=O)OCc3ccccc3)c2n1)N(CCO)CCO
23629 OCCN(CCO)c1nc(N2CCCCCC2)c2nc(nc(N3CCCCCC3)c2n1)N(CCO)CCO
23630 OCCNc1nc(N2CCCCCC2)c2nc(NCCO)nc(N3CCCCCC3)c2n1
23631 OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(nc(N3CCCCCCC3)c2n1)N(CCO)CCO
23632 OCCNc1nc(N2CCCCCCC2)c2nc(NCCO)nc(N3CCCCCCC3)c2n1
23633 OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(nc(N3CCCCCCCC3)c2n1)N(CCO)CCO
23634 OCCNc1nc(N2CCCCCCCC2)c2nc(NCCO)nc(N3CCCCCCCC3)c2n1
23635 OCCN(CCO)c1nc(N2C3CCC2CCC3)c2nc(nc(N3C4CCC3CCC4)c2n1)N(CCO)CCO
23636 OCCNc1nc(N2C3CCC2CCC3)c2nc(NCCO)nc(N3C4CCC3CCC4)c2n1
23637 OCCN(CCO)c1nc(N2CC3CC4CC(C3)CC2C4)c2nc(nc(N3CC4CC5CC(C4)CC3C5)c2n1)N(CCO)CCO |TLB:33:32:36:29.28.27.26,33:28:36:34.31.32,27:28:36.35.34:31,17:16:20:13.12.11.10,17:12:20:18.15.16,11:12:20.19.18:15,THB:26:35:31:29.28.33,25:26:36:34.31.32,9:10:20:18.15.16,10:19:15:13.12.17|
23638 OCCNc1nc(N2CC3CC4CC(C3)CC2C4)c2nc(NCCO)nc(N3CC4CC5CC(C4)CC3C5)c2n1 |TLB:8:9:17.16.15:12,14:13:17:10.9.8.7,14:9:17:15.12.13,28:29:37.36.35:32,34:33:37:30.29.28.27,34:29:37:35.32.33,THB:26:27:37:35.32.33,6:7:17:15.12.13,7:16:12:10.9.14,27:36:32:30.29.34|
23639 CN(C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(C)C)N(CCO)CCO
23640 CN(C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(C)C
23641 CCN(CC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC)CC)N(CCO)CCO
23642 CCN(CC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CC)CC
23643 CCCN(CCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCC)CCC)N(CCO)CCO
23644 CCCN(CCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCC)CCC
23645 CCCCN(CCCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCCC)CCCC)N(CCO)CCO
23646 CCCCN(CCCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCCC)CCCC
23647 CC(C)CN(CC(C)C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CC(C)C)CC(C)C)N(CCO)CCO
23648 CC(C)CN(CC(C)C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CC(C)C)CC(C)C
23649 CCCCCN(CCCCC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCCCC)CCCCC)N(CCO)CCO
23650 CCCCCN(CCCCC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCCCC)CCCCC
23651 CC(C)CCN(CCC(C)C)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCC(C)C)CCC(C)C)N(CCO)CCO
23652 CC(C)CCN(CCC(C)C)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCC(C)C)CCC(C)C
23653 COCCN(CCOC)c1nc(nc2c(nc(nc12)N(CCO)CCO)N(CCOC)CCOC)N(CCO)CCO
23654 COCCN(CCOC)c1nc(NCCO)nc2c(nc(NCCO)nc12)N(CCOC)CCOC
23655 OCCN(CCO)c1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(nc(N(Cc3ccccc3)Cc3ccccc3)c2n1)N(CCO)CCO
23656 OCCNc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(NCCO)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1
23657 Nc1nc(nc2c(N)nc(nc12)N(CCO)CCO)N(CCO)CCO
23658 CNc1nc(nc2c(NC)nc(nc12)N(CCO)CCO)N(CCO)CCO
23659 CNc1nc(NCCO)nc2c(NC)nc(NCCO)nc12
23660 CCNc1nc(nc2c(NCC)nc(nc12)N(CCO)CCO)N(CCO)CCO
23661 CCNc1nc(NCCO)nc2c(NCC)nc(NCCO)nc12
23662 CCCNc1nc(nc2c(NCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO
23663 CCCNc1nc(NCCO)nc2c(NCCC)nc(NCCO)nc12
23664 CC(C)Nc1nc(nc2c(NC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
23665 CC(C)Nc1nc(NCCO)nc2c(NC(C)C)nc(NCCO)nc12
23666 CCCCNc1nc(nc2c(NCCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO
23667 CCCCNc1nc(NCCO)nc2c(NCCCC)nc(NCCO)nc12
23668 CC(C)CNc1nc(nc2c(NCC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
23669 CC(C)CNc1nc(NCCO)nc2c(NCC(C)C)nc(NCCO)nc12
23670 CC(C)(C)Nc1nc(nc2c(NC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
23671 CC(C)(C)Nc1nc(NCCO)nc2c(NC(C)(C)C)nc(NCCO)nc12
23672 CCCCCNc1nc(nc2c(NCCCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO
23673 CCCCCNc1nc(NCCO)nc2c(NCCCCC)nc(NCCO)nc12
23674 CC(C)CCNc1nc(nc2c(NCCC(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
23675 CC(C)CCNc1nc(NCCO)nc2c(NCCC(C)C)nc(NCCO)nc12
23676 CC(C)(C)CNc1nc(nc2c(NCC(C)(C)C)nc(nc12)N(CCO)CCO)N(CCO)CCO
23677 CC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12
23678 OCCN(CCO)c1nc(NC2CC2)c2nc(nc(NC3CC3)c2n1)N(CCO)CCO
23679 OCCNc1nc(NC2CC2)c2nc(NCCO)nc(NC3CC3)c2n1
23680 OCCN(CCO)c1nc(NC2CCC2)c2nc(nc(NC3CCC3)c2n1)N(CCO)CCO
23681 OCCNc1nc(NC2CCC2)c2nc(NCCO)nc(NC3CCC3)c2n1
23682 OCCN(CCO)c1nc(NC2CCCC2)c2nc(nc(NC3CCCC3)c2n1)N(CCO)CCO
23683 OCCNc1nc(NC2CCCC2)c2nc(NCCO)nc(NC3CCCC3)c2n1
23684 OCCN(CCO)c1nc(NC2CCCCC2)c2nc(nc(NC3CCCCC3)c2n1)N(CCO)CCO
23685 OCCNc1nc(NC2CCCCC2)c2nc(NCCO)nc(NC3CCCCC3)c2n1
23686 OCCN(CCO)c1nc(Nc2ccccc2)c2nc(nc(Nc3ccccc3)c2n1)N(CCO)CCO
23687 OCCNc1nc(Nc2ccccc2)c2nc(NCCO)nc(Nc3ccccc3)c2n1
23688 OCCN(CCO)c1nc(NCc2ccccc2)c2nc(nc(NCc3ccccc3)c2n1)N(CCO)CCO
23689 OCCNc1nc(NCc2ccccc2)c2nc(NCCO)nc(NCc3ccccc3)c2n1
23690 OCCOc1nc(N2CCCCC2)c2nc(OCCO)nc(N3CCCCC3)c2n1
23691 C1CCN(CC1)c1nc(nc2c(nc(nc12)N1CCOCC1)N1CCCCC1)N1CCOCC1
23692 O=COCCN(CCOC=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC=O)CCOC=O
23693 CC(=O)OCCN(CCOC(C)=O)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC(C)=O)CCOC(C)=O
23694 COCCN(CCOC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC)CCOC
23695 CCOCCN(CCOCC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOCC)CCOCC
23696 CCCOCCN(CCOCCC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOCCC)CCOCCC
23697 CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCOC(C)C
23698 Fc1ccc(cc1)C(=O)n1cc(Cl)cn1
23700 COC(=O)c1ccnn1C(=O)c1ccc(Cl)cc1
23701 [O-][N+](=O)c1cccc(c1)C(=O)n1cc(Cl)cn1
23702 Cc1ccc(C(=O)c2ccn(n2)C(=O)c2ccc(F)cc2)c(C)c1
23703 [O-][N+](=O)c1cnn(c1)C(=O)c1ccccc1
23704 O=C(Nc1ccccc1)c1ccn(n1)C(=O)c1ccccc1
23705 Cc1ccc(cc1)C(=O)n1cc(Br)cn1
23706 Clc1ccc(cc1Cl)C(=O)n1cccn1
23707 Cc1cc(nn1C(=O)c1ccccc1F)[N+]([O-])=O
23708 Fc1cccc(F)c1C(=O)n1cc(Br)cn1
23709 COc1cc(cc(OC)c1OC)C(=O)n1ccc(C)n1
23710 Cc1ccc(cc1)C(=O)n1ccc(n1)[N+]([O-])=O
23711 [O-][N+](=O)c1ccn(n1)C(=O)c1ccccc1
23712 Cc1ccccc1C(=O)n1cc(cn1)[N+]([O-])=O
23713 Cc1ccccc1C(=O)n1cc(Cl)cn1
23714 Cc1cccc(c1)C(=O)n1cc(Br)cn1
23715 Cc1ccccc1C(=O)n1cc(Br)cn1
23716 CC(=O)Nc1ccc(cc1)C(=O)n1ccc(C)n1
23717 Clc1cnn(c1)C(=O)c1ccccc1Cl
23718 Cc1ccccc1C(=O)n1cccn1
23719 Fc1cc(Cl)c(cc1F)C(=O)n1cc(Br)cn1
23720 CC(C)(C)c1ccc(cc1)C(=O)n1cc(Cl)cn1
23721 Cc1nn(C(=O)c2ccccc2F)c(C)c1Cl
23722 Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Cl
23723 COc1ccc(cc1)C(=O)n1nc(C)c(Br)c1C
23724 Brc1ccccc1C(=O)n1cccn1
23725 COc1cc(cc(OC)c1OC)C(=O)n1nc(C)c(C)c1C
23726 COc1ccc(cc1)C(=O)OC(C)(C)C#C
23727 COc1ccc(cc1OC)C(=O)N(CC#N)CC#N
23728 COc1ccccc1OCC(=O)NNC(=O)c1cccs1
23730 COC(=O)c1nnc(NC(=O)C(C(C)C)N2C(=O)c3ccccc3C2=O)[nH]1
23731 COc1ccc(cc1)C(=O)NNC(=O)Cc1ccccc1
23732 Cc1onc(c1C(=O)n1cccn1)-c1ccccc1Cl
23738 COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1
23740 CCCCCOc1ccccc1Cn1c(C)c(CC(N)=O)c2cc(OC)ccc12
23741 COc1ccc2n(Cc3ccccc3OCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23742 COc1ccc2n(Cc3ccccc3OCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23743 COc1ccc2n(Cc3ccccc3OCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23744 COc1ccc2n(Cc3ccccc3OCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23745 COc1ccc2n(Cc3ccccc3OCCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23746 COc1ccc2n(Cc3ccccc3OCCCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23747 COc1ccc2n(Cc3ccccc3OCCCCCCCCCOc3ccccc3Cn3c(C)c(CC(N)=O)c4cc(OC)ccc34)c(C)c(CC(N)=O)c2c1
23748 COc1ccc2n(Cc3cccc(OCCCCCOc4cccc(Cn5c(C)c(CC(N)=O)c6cc(OC)ccc56)c4)c3)c(C)c(CC(N)=O)c2c1
23749 COc1ccc2n(Cc3ccc(OCCCCCOc4ccc(Cn5c(C)c(CC(N)=O)c6cc(OC)ccc56)cc4)cc3)c(C)c(CC(N)=O)c2c1
23750 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
23752 CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
23753 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
23754 CCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
23755 CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
23756 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
23757 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
23758 CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
23759 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
23760 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
23761 CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
23762 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
23763 CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
23764 CCCCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
23765 CCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
23766 CCCCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
23767 CCCCCCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
23768 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(CCc2nc(=O)o[nH]2)cc1
23769 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(CCCc2nc(=O)o[nH]2)cc1
23770 CCCCCCCCCCCCCCOc1ccc(Cc2nc(=O)o[nH]2)cc1
23771 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
23772 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23773 N[C@@H](CSC(c1ccccc1)c1ccccc1)C(O)=O |r|
23774 CC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
23775 CCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
23776 CCCCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
23777 CC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
23778 N[C@@H](CSC(C1CCCCC1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23779 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(O)=O |r|
23780 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r|
23781 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2OCOc2c1)C(O)=O |r|
23782 ClC(c1ccccc1)(c1ccccc1)c1ccccc1
23783 BrC(c1ccccc1)(c1ccccc1)c1ccccc1
23784 OC(c1ccccc1)(c1ccccc1)c1ccccc1
23785 COC(c1ccccc1)(c1ccccc1)c1ccccc1
23786 NC(c1ccccc1)(c1ccccc1)c1ccccc1
23787 CC(c1ccccc1)(c1ccccc1)c1ccccc1
23788 CCC(c1ccccc1)(c1ccccc1)c1ccccc1
23789 CC(C)(O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
23790 Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
23791 SC(c1ccccc1)(c1ccccc1)c1ccccc1
23792 CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23793 C(SC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
23794 CC(=O)SC(c1ccccc1)(c1ccccc1)c1ccccc1
23795 ClCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23796 CC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23797 OCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23798 Cc1ccccc1SC(c1ccccc1)(c1ccccc1)c1ccccc1
23799 CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)C(O)=O
23800 COC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
23801 COC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23802 NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23803 NCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23804 NCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23805 N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23806 OC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
23807 OC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)\N=C\c1cccs1
23808 CC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23809 OC(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
23810 OC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
23811 CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23812 COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
23813 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1 |r|
23814 COC(=O)[C@@H](NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C |r|
23815 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(O)=O |r|
23816 CC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23817 COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r|
23818 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r|
23819 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(O)=O |r|
23820 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r|
23821 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(O)=O |r|
23822 Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
23823 COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r|
23824 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(O)=O |r|
23825 N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O |r|
23826 N[C@@H](CSC(c1ccccc1)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
23827 COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(OC)cc1 |r|
23828 Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(C)cc1 |r|
23829 N[C@@H](CSC(c1ccccc1)(c1ccc(CO)cc1)c1ccc(CO)cc1)C(O)=O |r|
23830 Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1 |r|
23831 N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r|
23832 Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2-c2ccccc12 |r|
23833 N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(F)cc1)C(O)=O |r|
23834 N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(Cl)cc1)C(O)=O |r|
23835 CC(=O)N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r|
23836 N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1cccc2ccccc12)C(O)=O |r|
23837 OC[C@H]1O[C@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O
23838 [H][C@@]1(CCC2C1[C@H](C)CC1C2CC=C2C[C@@H](O)CC[C@]12C)[C@H](C)[C@H](O)CCC(C)C |r,t:14|
23839 Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(O)c5)ccc4O)cc3)c1
23840 O=C1N(C(=O)c2ccccc12)c1ccccc1CCc1ccccc1
23841 CCCCCCc1ccccc1N1C(=O)c2ccccc2C1=O
23842 CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccccc2C1=S
23843 COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2c(OC)c5)ccc4OC)cc3)c1
23844 COc1ccc2CCc3ccc(c(OC)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
23845 COc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4OC)cc3)c1
23846 COc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(OC)c5)c4)cc3)c1
23847 COc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
23848 COc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
23849 Oc1ccc2CCc3ccc(c(O)c3)-c3ccccc3CCc3ccc(Oc1c2)cc3
23850 Oc1ccc-2c(CCc3ccc(Oc4cc(CCc5ccc-2cc5)ccc4O)cc3)c1
23851 Oc1ccc-2c(CCc3ccc(Oc4cccc(CCc5ccc-2c(O)c5)c4)cc3)c1
23852 Oc1ccc2CCc3ccc(cc3)-c3ccccc3CCc3ccc(Oc1c2)cc3
23853 Oc1cc2CCc3cccc(Oc4ccc(CCc5ccccc5-c1cc2)cc4)c3
23854 C1Cc2cccc(Oc3ccc(CCc4ccccc4-c4ccc1cc4)cc3)c2
23855 COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC1CCCCC1 |r|
23857 CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
23858 COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC12CC3CC(CC(C3)C1)C2 |r,TLB:33:28:35:32.31.34,33:32:28.29.27:35,THB:31:30:27:32.33.34,31:32:27:30.29.35|
23859 CC(C)C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r,TLB:16:11:18:15.14.17,16:15:11.12.10:18,THB:14:13:10:15.16.17,14:15:10:13.12.18|
23860 COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1 |r|
23861 CC(C)C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
23862 COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(c1ccccc1)c1ccccc1 |r|
23863 CC(C)C[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
23864 COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC1c2ccccc2-c2ccccc12 |r|
23865 CC(C)C[C@H](NC(=O)CC1c2ccccc2-c2ccccc12)C(=O)NC(Cc1ccccc1)C(=O)C(O)=O |r|
23866 CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O
23867 [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
23868 CS(=O)(=O)NC(CC1CCC(O)CC1)C(=O)NCC(=O)NC(CCC\[NH+]=C(/N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(26.51,-19.37,;25.18,-18.6,;24.41,-19.93,;25.95,-17.27,;23.84,-17.83,;22.51,-18.6,;21.18,-17.83,;21.18,-16.29,;22.51,-15.52,;22.51,-13.98,;21.18,-13.21,;21.18,-11.67,;19.84,-13.98,;19.84,-15.52,;22.51,-20.14,;23.84,-20.91,;21.18,-20.91,;21.18,-22.45,;19.84,-23.22,;18.51,-22.45,;19.84,-24.76,;18.51,-25.53,;17.18,-24.76,;17.18,-23.22,;15.84,-22.45,;15.84,-20.91,;14.51,-20.14,;13.17,-20.91,;14.51,-18.6,;18.51,-27.07,;19.84,-27.84,;17.18,-27.84,;17.18,-29.38,;18.51,-30.15,;18.51,-31.69,;17.18,-32.46,;15.84,-31.69,;15.84,-30.15,;17.18,-34,;15.84,-34.77,;18.51,-34.77,)|
23869 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCN |r|
23870 [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
23871 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CCCN |r|
23872 [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]\[#7]=[#6](/[#7])-[#7]
23873 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)CN
23874 [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r|
23875 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)CCN |r|
23876 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2-[#6](=O)-c3ccccc3-[#6](=O)-c2c1 |r|
23877 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2cc3ccccc3cc2c1 |r|
23878 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
23879 [#6]-[#6]C([#6])([#6])c1ccc(cc1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
23880 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r|
23881 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
23882 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 |r|
23883 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)[#6]-c1ccc2ccccc2c1 |r|
23884 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)[#6]-[#6]-c1cccc2ccccc12 |r|
23885 [#6]-c1c2-[#6]C([#6])([#6])[#8]-c2c(-[#6])c(-[#6])c1S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
23886 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCNCC1 |r|
23887 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|
23888 NC(=N)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
23889 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCNCC1 |r|
23890 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r|
23891 CCOC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
23892 CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |r|
23893 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)NCCN |r|
23894 [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
23895 NCCNC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |r|
23896 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2-[#6](=O)-c3ccccc3-[#6](=O)-c2c1 |r|
23897 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)N1CCNCC1 |r|
23898 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C(N)=N |r|
23899 NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc(cc2)C2CCCCC2)C(=O)N2CCC(CC2)C(=O)N2CCNCC2)c1 |r|
23900 NC(=N)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1 |r|
23901 NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|
23902 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r|
23903 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 |r|
23904 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
23905 [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-1 |r|
23906 NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|
23907 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r|
23908 NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCC(CC2)C2CCNCC2)c1 |r|
23909 NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r|
23910 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)cc1 |r|
23911 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)nc1 |r|
23912 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#6]-c2ccncc2)cc1 |r|
23913 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1 |r|
23914 NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN)cc1 |r|
23915 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc(-[#7]-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c1 |r|
23916 [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r|
23917 NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
23918 NCCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r|
23919 NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CN)c1 |r|
23920 NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r|
23921 [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r|
23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
23927 Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
23928 COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
23929 Clc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
23930 COc1ccc(\C=C\c2cc(F)cc(F)c2)cc1
23931 Fc1ccc(\C=C\c2cc(F)cc(F)c2)cc1
23932 FC(F)(F)c1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
23933 COc1cc(OC)cc(\C=C\c2ccc(F)cc2)c1
23934 CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
23935 CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
23936 FC(F)(F)c1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
23937 COc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
23938 FC(F)(F)c1cccc(\C=C\c2cc(Cl)cc(Cl)c2)c1
23939 COc1cccc(\C=C\c2cc(Cl)cc(Cl)c2)c1
23940 COc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
23941 Clc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
23942 COc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
23943 Fc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
23944 FC(F)(F)c1ccc(\C=C/c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
23945 COc1cc(OC)cc(\C=C/c2ccc(F)cc2)c1
23946 CCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
23947 CCCCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
23948 FC(F)(F)c1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
23949 COc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
23950 FC(F)(F)c1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
23951 COc1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
23953 CC(CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1
23954 [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
23955 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCc2ccccc2)cc1
23956 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2ccccc2)cc1
23957 CC(NC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1
23958 CN(CCc1ccccc1)C(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
23959 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
23960 C[C@@H](CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1 |r|
23961 C[C@H](CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1)c1ccccc1 |r|
23962 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@H](Cc2ccccc2)C(O)=O)cc1 |r|
23963 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
23964 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2ccccn2)cc1
23965 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2cccnc2)cc1
23966 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)NCCc2ccncc2)cc1
23967 CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)Nc2ccccc2)cc1
23968 CNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
23969 CC(C)NC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
23970 CN(C)CCNC(=O)c1ncoc1Cc1ccc(cc1)-c1cccc(NC(C)=O)c1
23971 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
23972 CC(C)C[C@H](N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
23973 NC1Cc2ccccc2CC1=O
23974 ONC1Cc2ccccc2CC1=N
23975 CO\N=C1\Cc2ccccc2CC1N
23976 NC1Cc2ccccc2C\C1=N\OCc1ccccc1
23977 NC1Cc2ccccc2C\C1=N\OCCc1ccccc1
23978 NC1Cc2ccccc2C\C1=N\OCCCc1ccccc1
23979 NC1Cc2ccccc2C\C1=N\OCCCCc1ccccc1
23980 NC1Cc2ccccc2C\C1=N\OCCCCCc1ccccc1
23981 NC1CCc2ccccc2C1
23982 CC(=O)C1Cc2ccccc2CC1N
23983 NC1Cc2ccccc2CC1C(=O)NO
23984 OP(O)(O)C1Cc2ccccc2CC1=N
23985 O=C1Cc2ccccc2CO1
23986 O=C1Cc2ccccc2CS1
23987 ON1Cc2ccccc2CC1=O
23988 NN1Cc2ccccc2CC1=O
23989 O=C1CCc2ccccc2C1
23990 NC1Cc2ccccc2NC1=O
23991 C[C@H](N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
23992 O=C1Nc2ccccc2C11NN=C(S1)c1ccccc1 |c:13|
23994 Brc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:10|
23995 Cc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:10|
23996 CCc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:11|
23997 FC(F)(F)Oc1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:14|
23998 Cc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccccc21 |t:8|
23999 Cc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(C)cc21 |t:8|
24000 CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(C)cc3)c2c1 |c:11|
24001 CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(C)cc2)c1 |c:14|
24002 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccccc21 |t:9|
24003 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(C)cc21 |t:9|
24004 CCc1ccc2NC(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2c1 |c:11|
24005 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(Cl)cc21 |t:9|
24006 CCCc1ccc2c(NC(=O)C22NN=C(S2)c2ccc(OC)cc2)c1 |c:14|
24007 COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccccc21 |t:9|
24008 COc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:9|
24009 COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:9|
24010 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(Br)cc21 |t:9|
24011 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1ccc(cc21)[N+]([O-])=O |t:9|
24012 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(C)ccc21 |t:9|
24013 COc1ccc(cc1)C1=NNC2(S1)C(=O)Nc1cc(Cl)ccc21 |t:9|
24014 CN1C(=O)C2(NN=C(S2)c2ccccc2)c2ccccc12 |c:6|
24015 CC(C)N1C(=O)C2(NN=C(S2)c2ccccc2)c2ccccc12 |c:8|
24016 O=C1N(c2ccccc2C11NN=C(S1)c1ccccc1)c1ccccc1 |c:13|
24017 CN1C(=O)C2(NN=C(S2)c2ccc(C)cc2)c2ccccc12 |c:6|
24018 Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccccc1C |t:8|
24019 Cc1ccc(cc1)C1=NNC2(S1)C(=O)N(Cc1ccccc1)c1ccc(C)cc21 |t:8|
24020 COc1ccc(cc1)C1=NNC2(S1)C(=O)N(C)c1ccccc21 |t:9|
24021 COc1ccc(cc1)C1=NNC2(S1)C(=O)N(c1ccc(C)cc21)c1ccc(Cl)cc1 |t:9|
24022 CCCc1cc2N(Cc3ccccc3)C(=O)C3(NN=C(S3)c3ccc(OC)cc3)c2cc1C |c:19|
24023 Cc1c[nH]c2cccc(-c3cc(C)c4CN(CCc4n3)c3c(C)cccc3C)c12
24024 CCn1cc(N2CCc3nc(cc(C)c3C2)-c2cccc3[nH]cc(C)c23)c(C)n1
24025 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
24026 CC(C)[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)C(O)=O |r|
24027 CC(C)[C@@H](NS(=O)(=O)c1ccc(c(N)c1)-c1ccccc1)C(O)=O |r|
24028 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1[N+]([O-])=O)C(O)=O |r|
24029 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1O)C(O)=O |r|
24030 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(O)c1)C(O)=O |r|
24031 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(O)cc1)C(O)=O |r|
24032 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
24033 CC(C)C(CC(O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
24034 C[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
24035 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
24036 OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
24037 OC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
24038 CC(C)[C@@H](N(C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
24039 CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
24040 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
24041 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2ccco2)cc1)C(O)=O |r|
24042 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2oc3ccccc3c2C)cc1)C(O)=O |r|
24043 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
24044 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2cc3ccccc3o2)cc1)C(O)=O |r|
24045 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(CC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
24046 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\c2cc3ccccc3o2)cc1)C(O)=O |r|
24047 CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2oc3ccccc3c2C)cc1)C(O)=O |r|
24048 CC(=O)N1CC(=CC1c1ccccc1)c1cc(F)ccc1F |c:5|
24049 CC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:4|
24050 CC(C)(C)C(=O)N1CC(=CC1c1ccccc1)c1cc(F)ccc1F |c:8|
24051 CC(C)(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:7|
24052 [H][C@]1(C=C(CN1C(=O)N(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24053 CN(C)C(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:6|
24054 [H][C@]1(C=C(CN1C(=O)N(C)C1CCNCC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24055 [H][C@]1(C=C(CN1C(=O)N(C)C1CCN(CC1)C(C)=O)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24056 [H][C@]1(C=C(CN1C(=O)N(C)CCCN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24057 [H][C@]1(C=C(CN1C(=O)C(C)(C)CN)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24058 [H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24059 [H][C@]1(C=C(CN1C(=O)[C@H](N)C(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24060 [H][C@]1(C=C(CN1C(=O)[C@@H](N)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24061 [H][C@]1(C=C(CN1C(=O)[C@@H](N)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24062 [H][C@]1(C=C(CN1C(=O)[C@@H](NC(=O)OCCO)C(C)(C)C)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24063 [H][C@]1(C=C(CN1C(=O)[C@@H](O)C1CC1)c1cc(F)ccc1F)c1ccccc1 |r,c:2|
24064 CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)[C@@H]3CCc4cc(ccc4C3)C#N)C[C@@H](O)c2c1 |r|
24065 CC(=O)N1N=C(C[C@H]1c1cccc(O)c1)c1cc(F)ccc1F |r,c:4|
24066 CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4|
24067 CNC(=O)N1N=C(CC1c1ccccc1)c1cc(F)ccc1F |c:5|
24068 CNC(=O)N1N=C(CC1(C)c1ccccc1)c1cc(F)ccc1F |c:5|
24069 CNC(=O)N1N=C(CC1(CO)c1ccccc1)c1cc(F)ccc1F |c:5|
24070 CCNC(=O)N1N=C(CC1(CCO)c1ccccc1)c1cc(F)ccc1F |c:6|
24071 CCNC(=O)N1N=C(CC1(CCCO)c1ccccc1)c1cc(F)ccc1F |c:6|
24072 CCNC(=O)N1N=C(CC1(CCCCO)c1ccccc1)c1cc(F)ccc1F |c:6|
24073 CCNC(=O)N1N=C(CC1(CCN)c1ccccc1)c1cc(F)ccc1F |c:6|
24074 CCNC(=O)N1N=C(CC1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:6|
24075 CCNC(=O)N1N=C(CC1(CCCCN)c1ccccc1)c1cc(F)ccc1F |c:6|
24076 CCNC(=O)N1N=C(CC1(CCCCNCc1ccccc1)c1ccccc1)c1cc(F)ccc1F |c:6|
24077 CCNC(=O)N1N=C(CC1(CCCCN(C)C)c1ccccc1)c1cc(F)ccc1F |c:6|
24078 CCNC(=O)N1N=C(CC1(CCCCN1CC2CC1C=C2)c1ccccc1)c1cc(F)ccc1F |c:6,21|
24079 CCNC(=O)N1N=C(CC1(CCCC[N+](C)(C)[O-])c1ccccc1)c1cc(F)ccc1F |c:6|
24080 CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ccccc1)c1ccccc1)c1cc(F)ccc1F |c:6|
24081 CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ccccn1)c1ccccc1)c1cc(F)ccc1F |c:6|
24082 CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1ncc[nH]1)c1ccccc1)c1cc(F)ccc1F |c:6|
24083 CCNC(=O)N1N=C(CC1(CCCCNC(=O)c1cnc[nH]1)c1ccccc1)c1cc(F)ccc1F |c:6|
24084 CN(C)C(=O)N1N=C(CC1(CCCN)c1ccccc1)c1cc(F)ccc1F |c:6|
24085 NCCCC1(CC(=NN1C(=O)N1CCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
24086 NCCCC1(CC(=NN1C(=O)N1CCCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
24087 NCCCC1(CC(=NN1C(=O)N1CCCCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
24088 NCCCC1(CC(=NN1C(=O)N1CCOCC1)c1cc(F)ccc1F)c1ccccc1 |c:6|
24089 CN(C)C(=O)N1N=C(C[C@@]1(CCCN)c1ccccc1)c1cc(F)ccc1F |r,c:6|
24090 CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(F)ccc2F)c2ccccc2)CC1 |c:13|
24091 CN(CCCC1(CN(N=C1C(C)=O)c1cc(F)ccc1F)c1ccccc1)Cc1cc(C)no1 |c:8|
24092 CC(=O)C1=NN(CC1(CCCN1CCS(=O)(=O)CC1)c1ccccc1)c1cc(F)ccc1F |t:3|
24093 CC(=O)C1=NN(CC1(CCCN1CCOCC1)c1ccccc1)c1cc(F)ccc1F |t:3|
24094 CC(=O)C1=NN(CC1(CCCN1CC(F)C1)c1ccccc1)c1cc(F)ccc1F |t:3|
24095 CC(=O)C1=NN(CC1(CCCN1CCCC1)c1ccccc1)c1cc(F)ccc1F |t:3|
24096 CC(=O)C1=NN(CC1(CCCN1C[C@@H]2C[C@H]1CO2)c1ccccc1)c1cc(F)ccc1F |r,t:3|
24097 CN(C)CCCC1(CN(N=C1C(C)=O)c1cc(F)ccc1F)c1ccccc1 |c:9|
24098 CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(Cl)ccc2F)c2ccccc2)CC1 |c:13|
24099 CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(Br)ccc2F)c2ccccc2)CC1 |c:13|
24100 CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2ccccc2F)c2ccccc2)CC1 |c:13|
24101 CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(ccc2F)C(F)(F)F)c2ccccc2)CC1 |c:13|
24102 CC(=O)N1CCN(CCCC2(CN(N=C2C(C)=O)c2cc(C)ccc2F)c2ccccc2)CC1 |c:13|
24103 CN(C)CCC[C@]1(CN(N=C1C(C)=O)c1cc(C)ccc1F)c1ccccc1 |r,c:9|
24104 CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CC1 |r,c:24|
24105 Cc1ccc2C(CNCc2c1C)c1ccccc1
24106 CN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24107 CCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24108 CC(C)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24109 Cc1ccc2C(CN(CCc3ccccc3)Cc2c1C)c1ccccc1
24110 Cc1ccc2C(CN(CCN)Cc2c1C)c1ccccc1
24111 Cc1ccc2C(CN(CCCN)Cc2c1C)c1ccccc1
24112 Cc1ccc2C(CN(CCCCN)Cc2c1C)c1ccccc1
24113 Cc1ccc2C(CN(CCn3cccc3)Cc2c1C)c1ccccc1
24114 CN(C)CCCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24115 CN(C)CCCCN1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24116 CC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24117 Cc1ccc2C(CN(Cc2c1C)C(=O)c1ccccc1)c1ccccc1
24118 Cc1ccc2C(CN(Cc2c1C)S(C)(=O)=O)c1ccccc1
24119 COC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24120 CCOC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24121 Cc1ccc2C(CN(Cc2c1C)C(N)=O)c1ccccc1
24122 CNC(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24123 CN(C)C(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24124 Cc1ccc2C(CN(Cc2c1C)C(=O)N1CCOCC1)c1ccccc1
24125 Cc1ccc2C(CN(Cc2c1C)C(=O)N1CCCCC1)c1ccccc1
24126 CN(C)CCCN(C)C(=O)N1CC(c2ccccc2)c2ccc(C)c(C)c2C1
24127 CN(C)C(=O)N1C[C@H](c2cccc(O)c2)c2ccc(C)c(C)c2C1 |r|
24128 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(C)c(C)c2C1
24129 CN(C)C(=O)N1CC(c2ccc(O)cc2)c2ccc(C)c(C)c2C1
24130 CN(C)C(=O)N1CC(c2cccc(c2)C(F)(F)F)c2ccc(C)c(C)c2C1
24131 CN(C)C(=O)N1CC(c2cccc(Cl)c2)c2ccc(C)c(C)c2C1
24132 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccccc2C1
24133 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(F)cc2C1
24134 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Cl)cc2C1
24135 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Br)cc2C1
24136 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(I)cc2C1
24137 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(C)cc2C1
24138 COc1ccc2C(CN(Cc2c1)C(=O)N(C)C)c1cccc(O)c1
24139 CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(F)c2C1
24140 CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(Cl)c2C1
24141 CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(Br)c2C1
24142 CN(C)C(=O)N1CC(c2cccc(O)c2)c2cccc(C)c2C1
24143 CCc1cccc2C(CN(Cc12)C(=O)N(C)C)c1cccc(O)c1
24144 COc1cccc2C(CN(Cc12)C(=O)N(C)C)c1cccc(O)c1
24145 COc1ccc2C(CN(Cc2c1OC)C(=O)N(C)C)c1cccc(O)c1
24146 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc(Cl)c(Cl)c2C1
24147 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc3ccccc3c2C1
24148 CN(C)C(=O)N1CC(c2cccc(O)c2)c2ccc3CCOc3c2C1
24149 CCN(CC)C(=O)c1ccsc1NC(=O)c1cccs1
24150 CCN(CC)C(=O)c1c(C)c(C)sc1NC(=O)c1cccs1
24151 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCc12
24152 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24153 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCCc12
24154 CCN(CC)C(=O)c1c(NC(=O)c2ccsc2)sc2CCCCc12
24155 CCN(CC)C(=O)c1c(NC(=O)c2cncs2)sc2CCCCc12
24156 CCN(CC)C(=O)c1c(NC(=O)c2scnc2C)sc2CCCCc12
24157 CCN(CC)C(=O)c1c(NC(=O)c2ccco2)sc2CCCCc12
24158 CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc2CCCCc12
24159 CCN(CC)C(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
24160 CCOC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24161 OC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24162 NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24163 CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24164 O=C(Nc1sc2CCCCc2c1C(=O)N1CCCC1)c1cccs1
24165 O=C(Nc1sc2CCCCc2c1C(=O)N1CCCCC1)c1cccs1
24166 O=C(Nc1sc2CCCCc2c1C(=O)N1CCOCC1)c1cccs1
24167 CN(C)CCNC(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24168 CN(C)CCN(C)C(=O)c1c(NC(=O)c2cccs2)sc2CCCCc12
24169 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCCC(C)c12
24170 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)Cc12
24171 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)CCc12
24172 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)c12
24173 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)Cc12
24174 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12
24175 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CC(C)(C)CCc12
24176 CCC1CCc2sc(NC(=O)c3cccs3)c(C(=O)N(CC)CC)c2C1
24177 CCC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N(CC)CC
24178 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2COCCc12
24179 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CSCCc12
24180 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CNCCc12
24181 CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2ccccc12
24182 NCC(CC(O)=O)c1ccc(Cl)cc1
24183 NCCCC(O)=O
24184 NCCCP(O)=O
24185 CP(O)(=O)CCCN
24186 NCC(=O)CP(O)O
24189 CP(O)(O)CC(=O)CN
24191 NCC(=O)CP(O)=O
24192 CP(O)(=O)CC(=O)CN
24193 NCC(F)CP(O)=O
24194 NC[C@H](F)CP(O)=O |r|
24195 NC[C@@H](F)CP(O)=O |r|
24196 CP(O)(=O)CC(F)CN
24197 CP(O)(=O)C[C@@H](F)CN |r|
24198 CP(O)(=O)C[C@H](F)CN |r|
24199 C(CN1CCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
24200 CCCCC\C=C/C\C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(O)=O |r|
24201 C(CN1CCCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
24202 C(CN1CCCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
24203 C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
24204 C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
24205 C(CN1CCCCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
24206 C(CN1CCCCCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
24207 C(CN1CCCCCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
24208 C(CN1CCCCCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
24209 C(CN1CCOCC1)Oc1ccc(Oc2nc3ccccc3o2)cc1
24210 C(CN1CCOCC1)Oc1ccc(Oc2nc3ccccc3s2)cc1
24211 C(CN1CCOCC1)Oc1ccc(Oc2nc3ccccc3[nH]2)cc1
24212 OC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
24213 OC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24214 OCC1CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1
24215 OCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24216 OC1(CCN(CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1)c1ccccc1
24217 OC1(CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1)c1ccccc1
24218 NC(=O)C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24219 NC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24220 O=C1CCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24221 O=C1CCCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24222 O=C1OCCN1C1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24223 C(Cc1ccc(Oc2nc3ccccc3s2)cc1)N1CCCCC1
24224 OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24225 NC(=O)C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24226 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
24227 O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24228 O=C1OCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24229 CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24230 CC(=O)OCC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24231 C(N1CCCCC1)c1ccc(Oc2nc3ccccc3s2)cc1
24232 OC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24233 NC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24234 O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24235 O=C1OCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24236 CC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24237 CC(=O)OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24238 OCC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24239 OC(=O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1
24240 C(COc1ccc(Oc2nc3ccccc3o2)cc1)CN1CCCCC1
24241 C(COc1ccc(Oc2nc3ccccc3s2)cc1)CN1CCCCC1
24242 C(COc1ccc(Oc2nc3ccccc3[nH]2)cc1)CN1CCCCC1
24243 NCC(=O)Nc1ccc(OCc2ccccc2)cc1
24244 C[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24245 CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24246 N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24247 O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1 |r|
24248 N[C@@H](CCC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24249 N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24250 NCCCC[C@H](N)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24251 N[C@@H](CCC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24252 N[C@@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24253 N[C@H](CCC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24254 N[C@H](CC(O)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24255 N[C@@H](CC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
24256 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
24257 N[C@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(O)=O |r|
24258 OC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
24259 COC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24260 CC(C)(C)OC(=O)[C@@H](N)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 |r|
24261 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(N)=O |r|
24262 N[C@@H](CCC(=O)Nc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
24263 NCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
24264 CNCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
24265 CN(C)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1
24266 N[C@@H](CCC(=O)Nc1ccccc1)C(N)=O |r|
24267 N[C@@H](CCC(=O)Nc1ccc(cc1)-n1cccc1)C(N)=O |r|
24268 COC(=O)[C@@H](N)CCC(=O)Nc1cccc(OCc2ccccc2)c1 |r|
24269 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)nc1)C(N)=O |r|
24270 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(O)=O |r|
24271 N[C@@H](CCC(=O)Nc1ccc(Cc2ccccc2)cc1)C(N)=O |r|
24272 N[C@@H](CCC(=O)Nc1ccc(Nc2ccccc2)cc1)C(O)=O |r|
24273 COC(=O)[C@@H](N)CCC(=O)Nc1ccc(cc1)N(C)c1ccccc1 |r|
24274 N[C@@H](CCC(=O)Nc1ccc(OCCc2ccccc2)cc1)C(O)=O |r|
24275 N[C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(O)=O |r|
24276 N[C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(O)=O |r|
24277 N[C@@H](CCC(=O)Nc1ccc(OCC(O)c2ccccc2)cc1)C(O)=O |r|
24278 COC(=O)[C@@H](N)CCC(=O)Nc1ccc(OC)cc1 |r|
24279 N[C@@H](CCC(=O)Nc1ccc(OC2CCCCC2)cc1)C(N)=O |r|
24280 Cc1ccccc1Oc1ccc(NC(=O)CC[C@H](N)C(N)=O)cc1 |r|
24281 Cc1cccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)c1 |r|
24282 Cc1ccc(Oc2ccc(NC(=O)CC[C@H](N)C(N)=O)cc2)cc1 |r|
24283 N[C@@H](CCC(=O)Nc1ccc(Oc2ccc(cc2)-n2cccc2)cc1)C(O)=O |r|
24284 N[C@@H](CCC(=O)Nc1ccc(Oc2ccc(cc2)-c2ccoc2)cc1)C(N)=O |r|
24285 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(O)=O |r|
24286 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCC(O)=O |r|
24287 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCC(O)=O |r|
24288 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCCC(O)=O |r|
24289 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCO |r|
24290 NCCNC(=O)[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
24291 N[C@H](CO)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
24292 NC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
24293 COC[C@@H](N)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 |r|
24294 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CS(O)(=O)=O |r|
24295 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nnc[nH]1 |r|
24296 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CSc1nnc(N)s1 |r|
24297 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1 |r|
24298 N[C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O |r|
24300 NS(=O)(=O)Oc1cccc(c1)C(c1cccc(OS(N)(=O)=O)c1)n1cncn1
24301 NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(OS(N)(=O)=O)c(Br)c1)n1cncn1
24302 COc1ccc(cc1OS(N)(=O)=O)C(c1ccc(OC)c(OS(N)(=O)=O)c1)n1cncn1
24303 COc1cc(ccc1OS(N)(=O)=O)C(c1ccc(OS(N)(=O)=O)c(OC)c1)n1cncn1
24304 NS(=O)(=O)Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
24305 NS(=O)(=O)Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
24306 NS(=O)(=O)Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
24307 NS(=O)(=O)Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r|
24308 NS(=O)(=O)Oc1ccc(cc1Br)[C@H](c1ccc(cc1)C#N)n1cncn1 |r|
24309 Oc1cccc(c1)C(c1cccc(O)c1)n1cncn1
24310 Oc1ccc(cc1)C(c1ccc(O)cc1)n1cncn1
24311 Oc1ccc(cc1Br)C(c1ccc(O)c(Br)c1)n1cncn1
24312 COc1ccc(cc1O)C(c1ccc(OC)c(O)c1)n1cncn1
24313 COc1cc(ccc1O)C(c1ccc(O)c(OC)c1)n1cncn1
24314 Oc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
24315 Oc1ccc(cc1Cl)C(c1ccc(cc1)C#N)n1cncn1
24316 Oc1ccc(cc1Br)C(c1ccc(cc1)C#N)n1cncn1
24317 Oc1ccc(cc1Br)[C@@H](c1ccc(cc1)C#N)n1cncn1 |r|
24318 Oc1ccc(cc1Br)[C@H](c1ccc(cc1)C#N)n1cncn1 |r|
24320 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I
24321 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1OS(N)(=O)=O
24322 NS(=O)(=O)Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C#N
24323 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1OS(N)(=O)=O
24324 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1
24325 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1F
24326 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
24327 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Br
24328 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1I
24329 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1O
24330 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C#N
24331 Oc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1C(F)(F)F
24332 COc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc(Cl)c1O
24333 Oc1c(Cl)cc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1Cl
24334 Oc1c(F)c(F)c(CN(c2ccc(cc2)C#N)n2cnnc2)c(F)c1F
24335 NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F
24336 NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl
24337 NS(=O)(=O)Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br
24338 COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1OS(N)(=O)=O
24339 Oc1cccc(CN(c2ccc(cc2)C#N)n2cnnc2)c1
24340 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1F
24341 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Cl
24342 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1Br
24343 COc1ccc(CN(c2ccc(cc2)C#N)n2cnnc2)cc1O
24344 Oc1cc(CN(c2ccc(cc2)C#N)n2cnnc2)ccc1C(F)(F)F
24345 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccccc2)nn1
24346 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(Cc2ccc(F)cc2)nn1
24347 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1
24348 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cn(CC(O)c2cccc(Br)c2)nn1
24349 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccccc2)nn1
24350 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(Cc2ccc(F)cc2)nn1
24351 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(nn1)-c1ccccc1
24352 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cn(CC(O)c2cccc(Br)c2)nn1
24353 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1Cc1ccccc1
24354 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1Cc1ccc(F)cc1
24355 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1-c1ccccc1
24356 ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)-c1cnnn1CC(O)c1cccc(Br)c1
24357 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccccc1
24358 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1Cc1ccc(F)cc1
24359 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1-c1ccccc1
24360 ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1cnnn1CC(O)c1cccc(Br)c1
24361 Clc1sc2cc([nH]c2c1Cl)C(=O)NC1Cc2ccccc2NC1=O
24363 Clc1cc2cc([nH]c2s1)C(=O)NC1Cc2ccccc2NC1=O
24364 CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24365 COCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24366 CSCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24367 CS(=O)CCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24368 CS(=O)(=O)CCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24369 CCC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24370 OC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
24371 OC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1
24372 NC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24373 CNC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24374 CN(C)C(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24375 CNC(=O)CCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24376 ONC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24377 OCCNC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24378 OC1CCN(CC1)C(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24379 OCC(CO)NC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24380 O[C@H]1CN(C[C@H]1O)C(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |r|
24381 CS(=O)(=O)NC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24382 ONC(=N)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24383 COC(=O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24384 Clc1cc2cc([nH]c2s1)C(=O)NC1Cc2ccccc2N(CC#N)C1=O
24385 OCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
24386 OCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24387 OCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1
24388 OCC(CO)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1
24389 OCC(CO)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24390 OCC(CO)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1
24391 OCCCN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24392 CCC(O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1
24393 OC[C@H](O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 |r|
24394 OC[C@H](O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |r|
24395 OC[C@H](O)CN1C(=O)C(Cc2ccccc12)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
24396 OC[C@H](O)CN1C(=O)[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |r|
24397 OC[C@H](O)CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |r|
24398 OC[C@@H](O)CN1C(=O)[C@@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |r|
24399 OC[C@@H](O)CN1C(=O)[C@H](Cc2ccccc12)NC(=O)c1cc2cc(Cl)sc2[nH]1 |r|
24400 Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
24401 FC(F)(F)c1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
24402 CCc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
24403 Cc1nc2ncnn2c(Nc2ccc3ccccc3c2)c1C
24404 CN(c1ccc2ccccc2c1)c1cc(C)nc2ncnn12
24405 Cc1cc(N(Cc2ccccc2)c2ccc3ccccc3c2)n2ncnc2n1
24406 Cc1cc(Nc2ccc(cc2)C(N)=O)n2ncnc2n1
24407 Cc1cc(Nc2cnc3ccccc3c2)n2ncnc2n1
24408 Cc1cc(Nc2ccc3ncccc3c2)n2ncnc2n1
24409 Cc1cc(Nc2cc3ccccc3cc2O)n2ncnc2n1
24410 Cc1cc(Nc2ccc3c(c2)oc(C)cc3=O)n2ncnc2n1
24411 Cc1cc(Nc2cccc3ccccc23)n2ncnc2n1
24412 Cc1cc(Nc2ccccc2)n2ncnc2n1
24413 Cc1cc(Nc2ccc3cc4ccccc4cc3c2)n2ncnc2n1
24414 CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)NCc1ccccc1 |r|
24415 CC(C)c1c(nc(-c2ccc(F)c(F)c2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)NCc1ccccc1 |r|
24416 CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
24417 CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)N[C@H](CO)c1ccccc1 |r|
24418 CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)N(C)[C@@H](C)c1ccccc1 |r|
24419 CC(C)c1c(nc(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=O)NCc1cccc(c1)-c1ccccc1F |r|
24420 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(nc1C(=O)NCc1cccc(F)c1)-c1ccc(F)cc1 |r|
24421 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
24422 CCc1c(C(=O)NCc2ccc(cc2)-c2ccccc2)c2CCCCCc2n1CC[C@@H](O)C[C@@H](O)CC(O)=O |r|
24423 CC(C)c1c(C(=O)N[C@H](CO)c2ccccc2)c2CCCCc2n1CC[C@@H](O)C[C@@H](O)CC(O)=O |r|
24424 CC(C)c1c(C(=O)NCc2ccccc2)c2CCCCCc2n1CC[C@@H](O)C[C@@H](O)CC(O)=O |r|
24425 CCc1c(C(=O)NCc2ccc(cc2)-c2ccccc2)c2CCCCc2n1CC[C@@H](O)C[C@@H](O)CC(O)=O |r|
24426 CC(C)c1c(C(=O)Nc2ccccc2O)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
24427 CCc1c(C(=O)Nc2ccccc2)c(C(C)C)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O |r|
24428 Cn1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccccc1)-c1ccc(F)cc1 |r|
24429 Cc1c([nH]c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(=O)Nc1ccccc1 |r|
24430 CN(C)C(=O)c1ccc(NC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n2C)-c2ccc(F)cc2)-c2ccc(F)cc2)cc1 |r|
24431 Cc1cnc(CNC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n2C)-c2ccc(F)cc2)-c2ccccc2)cn1 |r|
24432 COC(=O)c1ccc(NC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n2C)-c2ccc(F)cc2)-c2ccccc2)cc1 |r|
24433 Cn1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1 |r|
24434 Cc1cccc(NC(=O)c2c(c(c(CC[C@@H](O)C[C@@H](O)CC(O)=O)n2C)-c2ccc(F)cc2)-c2ccc(F)cc2)c1 |r|
24435 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c2CCCN(c3ccccc3)C(=O)c12)-c1ccc(F)cc1 |r|
24436 COC(=O)c1ccc(NS(=O)(=O)c2c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c2-c2ccc(F)cc2)-c2ccc(F)cc2)cc1 |r|
24437 CC(C)c1c(c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1)S(=O)(=O)NN1CCOCC1 |r|
24438 COC(=O)Cc1ccc(NS(=O)(=O)c2c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c2-c2ccc(F)cc2)-c2ccc(F)cc2)cc1 |r|
24439 CCc1cccc(CC)c1-c1cc(C)c2CN(C(C)Cc2n1)c1cc(nn1C)C1CC1
24440 Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
24441 Fc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccnc2[nH]ccc12
24442 CC(C)(C)n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
24443 Fc1cc(NC(=O)c2cccn(C3CC3)c2=O)ccc1Oc1ccnc2[nH]ccc12
24444 CC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
24445 Fc1ccc(Cn2cccc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2=O)cc1
24446 Fc1cc(NC(=O)c2cccn(-c3ccccn3)c2=O)ccc1Oc1ccnc2[nH]ccc12
24447 Fc1cc(NC(=O)c2cccn(-c3cccnc3)c2=O)ccc1Oc1ccnc2[nH]ccc12
24448 NC(=O)c1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
24449 Oc1c(cncc1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
24450 Cn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
24451 OCCn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
24452 Fc1ccc(cc1)-c1cn(cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O)C1CC1
24453 Fc1ccc(cc1)-c1cn(cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O)-c1ccc(Cl)c(F)c1
24454 COc1ccc(cc1F)-n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
24455 Fc1ccc(cc1)-c1cocc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
24456 Fc1cc(NC(=O)c2cccc(n2)-c2ccccc2)ccc1Oc1ccnc2[nH]ccc12
24457 [O-][n+]1c(cccc1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
24458 [O-][n+]1c(cccc1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
24459 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
24460 CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
24461 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
24462 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r|
24463 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1 |r|
24464 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)=O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
24465 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
24466 COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1
24467 Oc1ccc(Cc2nnc3ccc(nn23)-c2ccccc2)cc1
24468 Oc1ccc(Cc2nnc3ncc(cn23)-c2ccccc2)cc1
24469 Oc1ccc(Cc2nnc3ccc(cn23)-c2ccccc2)cc1
24470 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
24471 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)cc3)ccnc2c1
24472 COc1ccc2c(OCc3nnc4ccc(nn34)-c3cccc(F)c3)ccnc2c1
24473 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3F)ccnc2c1
24474 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccc(F)c(F)c3)ccnc2c1
24475 COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)cc(F)c3)ccnc2c1
24476 COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(F)c(F)c(F)c3)ccnc2c1
24477 CNC(=O)c1ccc(cc1)-c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2n1
24478 CNC(=O)c1ccc(cc1F)-c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2n1
24479 CNC(=O)c1ccc(cc1Cl)-c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2n1
24480 COc1ccc2c(OCc3nnc4ccc(nn34)-c3cccs3)ccnc2c1
24481 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccsc3)ccnc2c1
24482 COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)cs3)ccnc2c1
24483 COc1ccc2c(OCc3nnc4ccc(nn34)-c3cc(C)ns3)ccnc2c1
24484 COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccco3)ccnc2c1
24485 COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC
24486 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2ccsc12
24487 CC(O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24488 CSc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24489 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)c1ccco1
24490 COC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24491 NC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24492 CNC(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24493 CN(C)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24494 CCN(CC)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24495 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCOCC1
24496 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)C(=O)N1CCCC1
24497 CN1CCN(CC1)C(=O)c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24498 Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24499 CCn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24500 Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24501 CCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24502 Cn1cc(cn1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24503 Cn1ncnc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24504 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nccs1
24505 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccccn1
24506 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cccnc1
24507 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ncccn1
24508 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1nncs1
24509 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cccs1
24510 Cn1cccc1-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1
24511 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1ccoc1
24512 Fc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1Oc1ccnc2cc(sc12)-c1cncnc1
24513 Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
24514 OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O
24515 COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O
24516 COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
24517 [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
24518 [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
24519 Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
24520 Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
24521 Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
24522 COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O
24523 COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O |TLB:21:22:26:20.25.19,THB:21:20:26:22.27.23,23:24:22.21.27:19,23:22:24.25.26:19|
24524 COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
24525 COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O
24526 COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O
24527 [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
24528 [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1
24529 COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
24530 COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O
24531 OS([O-])(=O)=c1ccc2[nH+]c(=O)\c(=N/Nc3ccccc3[N+]([O-])=O)c2c1
24532 CCc1cccc(CC)c1-c1cc(C)c2CN(C(C)Cc2n1)c1c(Cl)c(nn1C)C1CC1
24533 OC(=O)c1ccc2NC(=O)C(=NNc3ccccc3C(O)=O)c2c1 |w:11.11|
24534 OC(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1 |w:11.11|
24535 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccc(Cl)cc2)c1 |w:9.8|
24536 CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1 |w:15.15|
24537 CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1 |w:15.15|
24538 NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccccc3[N+]([O-])=O)c2c1 |w:12.12|
24539 [O-][N+](=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1 |w:10.10|
24540 Cc1ccc(CNS(=O)(=O)c2ccc3NC(=O)C(=NNc4cccc(c4)C(O)=O)c3c2)cc1 |w:18.18|
24541 OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2)cc1 |w:8.7|
24542 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2cccc(Cl)c2)c1 |w:9.8|
24543 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)c1 |w:9.8|
24544 OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)cc1 |w:8.7|
24545 OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)cc1 |w:8.7|
24546 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)c1 |w:9.8|
24547 OC(=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)c(c1)C(F)(F)F |w:10.10|
24548 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1 |w:9.8|
24549 OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)cc1 |w:8.7|
24550 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1 |w:9.8|
24551 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCCc2ccc(Cl)cc2Cl)c1 |w:9.8|
24552 OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)cc1 |w:8.7|
24553 OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)c1 |w:9.8|
24554 CCOC(=O)CSc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1
24555 OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
24556 CCOC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
24557 CCOC(=O)C(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1
24558 CCOC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1ccccc1
24559 CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
24560 CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
24561 CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
24562 CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)OCC
24563 CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC
24564 CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O
24565 CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O
24566 Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
24567 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
24568 CCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1
24569 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)CNC=O |r|
24570 CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r|
24571 CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r|
24572 CCCCCC[C@H]1[C@H](C[C@@H](CCCCC)OC(=O)CNC=O)OC1=O |r|
24573 CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
24574 CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)CNC=O |r|
24575 CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r|
24576 CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1ccccc1)NC=O |r|
24577 CCCCCC[C@H]1[C@H](C[C@@H](COS(=O)(=O)c2ccc(C)cc2)OC(=O)CNC=O)OC1=O |r|
24578 CCCCCCC\C=C\CC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1ccccc1)NC=O |r|
24579 CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](Cc1cnc[nH]1)NC=O |r|
24580 CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\c2ccc(F)cc2)OC(=O)[C@H](CC(C)C)NC=O)OC1=O |r|
24581 CCCCCC[C@H]1[C@H](C[C@@H](CCC=C)OC(=O)CNC=O)OC1=O |r|
24582 CCCCCC[C@H]1[C@H](C[C@@H](C)OC(=O)CNC=O)OC1=O |r|
24583 CCCCCC[C@H]1[C@H](C[C@@H](CC\C=C\C)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r|
24585 CCCCCC[C@H]1[C@H](C[C@H](CCC=C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O |r|
24586 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r|
24587 CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\C)OC(=O)[C@H](Cc2ccccc2)NC=O)OC1=O |r|
24588 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCC)OC(=O)CNC=O |r|
24590 CCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
24591 CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
24592 CCCCCC[C@H]1[C@H](C[C@@H](CC\C=C\C)OC(=O)CNC=O)OC1=O |r|
24593 CCCCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
24594 CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1C)OC(=O)[C@H](CC(C)C)NC=O |r|
24595 CCCCCC[C@H]1[C@H](C[C@H](CC\C=C\C)OC(=O)[C@@H](NC=O)C(C)C)OC1=O |r|
24596 CCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1C)OC(=O)[C@H](CC(C)C)NC=O |r|
24597 CCOC(=O)Nc1nc2ccc(C=Cc3ccc(O)cc3)cc2[nH]1 |w:12.11|
24598 CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1cccnc1
24599 CCNC(=O)Nc1nc2ccc(cc2[nH]1)-c1ccccc1
24600 CCNC(=O)Nc1nc2cc(ccc2[nH]1)-c1cncnc1
24601 CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1
24602 CCNC(=O)Nc1nc2cc(c(F)cc2[nH]1)-c1cccnc1
24603 CCNC(=O)Nc1nc2cc(c(C)cc2[nH]1)-c1cccnc1
24604 CCNC(=O)Nc1nc2cc(c(OC)cc2[nH]1)-c1cccnc1
24605 CCNC(=O)Nc1nc2cc(-c3cccnc3)c(cc2[nH]1)N1CCCCC1
24606 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)C(=O)OC
24607 CCNC(=O)Nc1nc2cc(cc(C(=O)NC)c2[nH]1)-c1cccnc1
24608 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-n1cccn1
24609 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ccccn1
24610 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1cccnc1
24611 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cccnc1)-c1ncccc1F
24612 CCNC(=O)Nc1nc2cc(cc(OCc3ccccc3)c2[nH]1)-c1cccnc1
24613 CCNC(=O)Nc1nc2cc(c(OC)cc2[nH]1)-c1cnc(OC)nc1
24614 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1cncnc1)-n1cccn1
24615 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-n1cccn1
24616 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-n1cnc(c1)C(=O)NC1CC1)-c1ccccn1
24617 CCNC(=O)Nc1nc2c(cc(cc2[nH]1)-c1ccn(C)c(=O)c1)-c1ncccc1F
24618 ONC(=O)c1ccc(OCCNC(=O)c2ccccc2)cc1
24619 C[C@H](NC(=O)CNC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 |r|
24620 ONC(=O)c1ccc(OCCNC(=O)c2ccc3ccccc3c2)cc1
24621 ONC(=O)c1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1
24622 CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO
24623 CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(O)=O
24624 Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1
24626 Nc1cncc(Cl)n1
24627 c1n[nH]c2ccccc12
24628 NS(=O)(=O)c1cccc2c(O)cccc12
24629 N#Cc1cnn2cccnc12
24630 Clc1cncc(Nc2ccccc2)n1
24631 NS(=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
24632 CC(C)Nc1cc(Cl)nc2c(cnn12)C#N
24633 CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc2c(cnn12)C#N |r,wU:8.7,wD:11.11,(3.63,.72,;2.39,1.63,;2.55,3.16,;.98,1,;-.26,1.91,;-.1,3.44,;-1.35,4.34,;-1.19,5.87,;.15,6.64,;.25,8.18,;1.63,8.86,;2.91,8.01,;4.29,8.69,;2.81,6.47,;1.43,5.79,;-2.76,3.72,;-2.92,2.18,;-4.16,1.28,;-3.69,-.18,;-2.15,-.18,;-1.67,1.28,;-5.63,1.76,;-7.11,2.15,)|
24634 O=C(Nc1ccccc1)c1n[nH]c2ccccc12
24635 NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
24636 O=C(Nc1ccccc1)c1ccn[nH]1
24637 c1cc(n[nH]1)-c1nc2ccccc2[nH]1
24638 Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
24639 CC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
24640 OCC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
24641 Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)Cc2ccccc2)cc1
24642 Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)C2CCCCC2)cc1
24643 Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)cc1
24644 Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
24645 Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NCC1CC1
24646 Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
24647 O[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(3.17,8.82,;2.37,7.51,;3.11,6.16,;2.31,4.84,;.77,4.87,;.03,6.22,;.83,7.54,;0,3.54,;-1.54,3.54,;-2.01,5,;-2.63,2.45,;-2.34,.94,;-3.7,.2,;-4.81,1.26,;-4.15,2.65,;-4.89,4,;-6.43,4.04,;-7.23,2.73,;-7.16,5.4,;-6.5,6.78,;-4.96,6.9,;-7.37,8.06,;-8.9,7.94,;-9.57,6.55,;-8.7,5.28,;-9.47,3.94,)|
24648 N[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(3.17,8.82,;2.37,7.51,;3.11,6.16,;2.31,4.84,;.77,4.87,;.03,6.22,;.83,7.54,;0,3.54,;-1.54,3.54,;-2.01,5,;-2.63,2.45,;-2.34,.94,;-3.7,.2,;-4.81,1.26,;-4.15,2.65,;-4.89,4,;-6.43,4.04,;-7.23,2.73,;-7.16,5.4,;-6.5,6.78,;-4.96,6.9,;-7.37,8.06,;-8.9,7.94,;-9.57,6.55,;-8.7,5.28,;-9.47,3.94,)|
24649 Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
24650 Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)N[C@H]1CCCNC1 |r|
24651 Fc1cc(F)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCNCC2)c(F)c1
24652 COc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
24653 Fc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
24655 C(c1ccccc1)n1cncc1-c1ccccc1
24656 c1nc(c[nH]1)-c1ccccc1
24657 Cn1cnc(c1)-c1ccccc1
24658 C(c1ccccc1)n1cnc(c1)-c1ccccc1
24659 NCCn1cnc(c1)-c1ccccc1
24660 NCCCn1cnc(c1)-c1ccccc1
24661 OCc1nc(c[nH]1)-c1ccccc1
24662 CNCc1nc(c[nH]1)-c1ccccc1
24663 Oc1ccccc1-c1c[nH]cn1
24664 Oc1cccc(O)c1-c1c[nH]cn1
24665 Sc1cccc(c1)-c1c[nH]cn1
24666 Sc1ccc(cc1)-c1c[nH]cn1
24667 Sc1ccccc1-c1c[nH]cn1
24668 CSc1ccccc1-c1c[nH]cn1
24669 N#Cc1cccc(c1)-c1c[nH]cn1
24670 CSc1cccc(c1)-c1c[nH]cn1
24671 Fc1ccc(cc1)-c1c[nH]cn1
24672 Fc1ccccc1-c1c[nH]cn1
24673 CSc1ccc(cc1)-c1c[nH]cn1
24674 Oc1cccc(c1)-c1c[nH]cn1
24675 COc1cccc(OC)c1-c1c[nH]cn1
24676 O=Cc1cccc(c1)-c1c[nH]cn1
24677 Oc1ccc(cc1)-c1c[nH]cn1
24678 Oc1ccc(F)cc1-c1cc[nH]n1
24679 Oc1ccccc1-c1cc[nH]n1
24680 c1ccc(cc1)-c1cccnc1
24681 c1csc(c1)-c1c[nH]cn1
24682 c1ncc(s1)-c1ccccc1
24683 Fc1cccc(c1)-c1c[nH]cn1
24684 c1coc(c1)-c1cccnc1
24685 CS[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r|
24686 CS[C@@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r|
24687 Nc1nc(N)c(CCC[C@@H](O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 |r|
24688 Nc1nc(N)c(CCC[C@H](O)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1 |r|
24689 CO[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r|
24690 CO[C@@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |r|
24691 Nc1nc(N)c(CCCC2(SCCCS2)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
24692 Nc1nc(N)c(CCCCc2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
24693 Nc1nc(N)c(CCCC(C(=O)C(F)(F)F)c2ccc(cc2)C(=O)NC(CCC(O)=O)C(O)=O)c(=O)[nH]1
24694 Cc1cc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)on1
24695 Brc1cnc(NCc2ccccc2)nc1Nc1cc(n[nH]1)C1CC1
24696 COc1cccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)c1
24697 Clc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1
24698 COc1ccccc1CNc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1
24699 Fc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1
24700 Clc1ccc(CNc2ncc(Br)c(Nc3cc(n[nH]3)C3CC3)n2)cc1
24701 C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
24702 C[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
24703 OC[C@@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
24704 OC[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1 |r|
24705 C[C@H](Nc1ncc(Br)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
24706 OC[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
24707 CN(C)C(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
24708 CNC(=O)C[C@H](Nc1ncc(Cl)c(Nc2cc(n[nH]2)C2CC2)n1)c1ccc(F)cc1 |r|
24709 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
24710 COc1ccc2nc3cc(Cl)ccc3c(N)c2c1
24711 Cc1cc(n[nH]1)-c1nc2cc3c(NC(=O)C3(C)C)cc2[nH]1
24712 CCN1C(=O)C(C)(C)c2cc3nc([nH]c3cc12)-c1cc(C)[nH]n1
24713 C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12
24714 Cc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
24715 C1CC1c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
24716 CCOC(=O)c1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
24717 OCc1[nH]nc-2c1CCc1c-2[nH]c2ccccc12
24718 Cc1cc(n[nH]1)-c1cc2ccccc2[nH]1
24719 Cc1[nH]nc-2c1Cc1c-2[nH]c2ccccc12
24720 Cc1[nH]nc-2c1CCCc1c-2[nH]c2ccccc12
24721 CCN1C(=O)C(C)(C)c2cc3[nH]c4-c5n[nH]c(C)c5CCCc4c3cc12
24722 Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3c(NC(=O)C3(C)C)cc12
24723 Cc1[nH]nc-2c1CCCc1c-2[nH]c2cc3NC(=O)C(C)(C)c3cc12
24724 Clc1ccc2c(NCCCNCC34CC5CC(CC(C5)C3)C4)ccnc2c1 |TLB:21:12:19:15.16.17,11:12:19:15.16.17,THB:21:16:19:13.20.12,17:16:13:19.20.18,17:18:13:15.21.16|
24725 Clc1ccc2c(NCCNCC34CC5CC(CC(C5)C3)C4)ccnc2c1 |TLB:10:11:14:18.16.17,THB:16:15:12:18.17.19,16:17:12:14.15.20,19:17:14:12.20.11,19:11:14:18.16.17|
24726 Clc1ccc2c(NCCCNCCC34CC5CC(CC(C5)C3)C4)ccnc2c1 |TLB:12:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:14:16.17.22,21:19:16:14.22.13,21:13:16:20.18.19|
24727 Clc1ccc2c(NCCNCCC34CC5CC(CC(C5)C3)C4)ccnc2c1 |TLB:11:12:15:18.19.17,THB:17:18:13:15.21.16,17:16:13:18.19.20,20:18:15:21.13.12,20:12:15:18.19.17|
24728 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccc2ccccc2c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24729 CC(C)CC(NC(C)=O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O
24730 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]=[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r,w:9.8|
24731 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24732 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccc(cc1)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24733 [#6]-[#8]-c1ccc2cc(ccc2c1)-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24734 [#6]-[#8]-c1cccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O)c1 |r|
24735 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24736 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24737 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24738 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24739 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#8]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24740 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccccc1-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24741 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24742 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24743 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24744 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24745 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24746 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24747 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24748 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
24749 NCCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C=O |r|
24750 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)c2cc1OC
24751 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
24752 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCCC1
24753 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCn1cncn1
24754 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCN(C)CC1
24755 CCN1CCN(CCCOc2cc3nccc(Oc4ccc(cc4F)-c4cnc(Cc5ccccc5)n(C)c4=O)c3cc2OC)CC1
24756 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCC(O)CC1
24757 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)[nH]c3=O)c2cc1OC
24758 COc1cc2nccc(Oc3ccc(cc3F)-c3c(C)nc(Cc4ccccc4)[nH]c3=O)c2cc1OC
24759 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(N)c4ccccc4)n(C)c3=O)c2cc1OC
24760 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(NC(=O)CN(C)C)c4ccccc4)n(C)c3=O)c2cc1OC
24761 CCC(=O)NC(c1ccccc1)c1ncc(-c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)c(=O)n1C
24762 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(NC(=O)CCSC)c4ccccc4)n(C)c3=O)c2cc1OC
24763 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(C(NC(=O)N(C)C)c4ccccc4)n(C)c3=O)c2cc1OC
24764 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccc(C)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
24765 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
24766 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
24767 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4F)n(C)c3=O)c2cc1OC
24768 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
24769 COc1cc2c(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
24770 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4cccc(F)c4)n(C)c3=O)c2cc1OC
24771 COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(cc4)C(F)(F)F)n(C)c3=O)c2cc1OC
24772 COc1cc2c(Oc3ccc(nc3)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
24774 ClC1=C(Cl)C(=O)c2ccccc2C1=O |c:1|
24775 COC1=CC(=O)c2ccccc2C1=O |t:2|
24776 O=C1C=CC(=O)c2ccccc12 |c:2|
24777 Oc1cccc2C(=O)C=CC(=O)c12 |c:8|
24778 CC1=CC(=O)c2ccccc2C1=O |t:1|
24779 O=C1CC(=O)c2ccccc2C1=O
24780 CC1=CC(=O)C=CC1=O |c:5,t:1|
24781 O=C1C=CC(=O)C(=C1)c1ccccc1 |c:2,6|
24782 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O |w:18.18,c:20|
24783 O=c1ccoc2ccccc12
24784 CC1=C(SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)c2ccccc2C1=O |r,c:1|
24785 Cc1c(O)c2ccccc2c(O)c1SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |r|
24786 CC1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O |c:4,6|
24787 COC(=O)C1(C)OC2=C(C=C1)C(=O)c1ccccc1C2=O |c:7,9|
24788 CC1(C)OC2=C(C=C1)C(=O)c1c(O)cccc1C2=O |c:4,6|
24789 COc1cccc2C(=O)C3=C(C=CC(C)(C)O3)C(=O)c12 |c:11,t:9|
24790 CC1(C)OC2=C(C=C1)C(=O)c1cc(O)ccc1C2=O |c:4,6|
24791 COc1ccc2C(=O)C3=C(C=CC(C)(C)O3)C(=O)c2c1 |c:10,t:8|
24792 CC1(C)OC2=C(C=C1)C(=O)c1ccc(O)cc1C2=O |c:4,6|
24793 COc1ccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c2c1 |c:14,t:8|
24794 CC1(C)OC2=C(C=C1)C(=O)c1cccc(O)c1C2=O |c:4,6|
24795 COc1cccc2C(=O)C3=C(OC(C)(C)C=C3)C(=O)c12 |c:15,t:9|
24796 CC1(C)OC2=C([C@@H]3O[C@H]13)C(=O)c1ccccc1C2=O |r,c:4|
24797 CC1(C)OC2=C([C@H](NCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24798 CC1(C)OC2=C([C@H](NCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24799 CC1(C)OC2=C([C@H](NCC=C)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24800 CC1(C)OC2=C([C@H](NCC=C)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24801 CCCCN[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12|
24802 CCCCN[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:12|
24803 CC1(C)OC2=C([C@@H]([C@@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4|
24804 CC1(C)OC2=C([C@@H]([C@H]1O)N1CCOCC1)C(=O)c1ccccc1C2=O |r,c:4|
24805 CO[C@@H]1[C@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
24806 CO[C@@H]1[C@@H](O)C(C)(C)OC2=C1C(=O)c1ccccc1C2=O |r,c:9|
24807 CC1(C)OC2=C([C@H](OCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24808 CC1(C)OC2=C([C@H](SCc3ccccc3)[C@@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24809 CC1(C)OC2=C([C@H](SCc3ccccc3)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24810 CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O |c:5|
24811 CC1(C)OC2=C([C@@H](O)[C@@H]1Br)C(=O)c1ccccc1C2=O |r,c:4|
24812 CC1(C)OC2=C([C@@H](O)[C@H]1O)C(=O)c1ccccc1C2=O |r,c:4|
24813 CSC(=S)NCc1c[nH]c2ccccc12
24814 CSC(=S)NCCc1c[nH]c2ccccc12
24815 CSC(=S)NCCc1csc2ccccc12
24816 CSC(=S)NCCCc1c[nH]c2ccccc12
24817 CSC(=S)NC1Cc2ccccc2C1
24818 CSC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:4:5:8.7.14:10.11.12,14:13:9.8.7:11,THB:4:5:9.8.7:11,9:8:5:10.11.12,9:10:5:8.7.14,14:8:11:5.13.12,(2.8,2.34,;1.58,1.4,;.16,1.97,;-.06,3.5,;-1.06,1.02,;-2.48,1.6,;-2.8,.35,;-4.35,.27,;-6.36,1.56,;-7.42,.47,;-5.99,.53,;-3.89,-.74,;-5.45,2.65,;-4.01,3.05,;-6.03,2.85,)|
24819 CSC(=S)NCc1ccc2ccccc2c1
24820 CSC(=S)NCc1ccccc1
24821 CSC(=S)NCCc1ccccc1
24822 CSC(=S)NCCc1ccc(F)cc1
24823 CSC(=S)N(C)CCc1ccccc1
24824 C=CCSC(=S)NCc1c[nH]c2ccccc12
24825 S=C(NCc1c[nH]c2ccccc12)SCc1ccccc1
24826 CCCCCCSC(=S)NCc1c[nH]c2ccccc12
24827 S=C(NCCc1c[nH]c2ccccc12)SCc1ccccc1
24828 S=C(NCCc1c[nH]c2ccccc12)SCc1ccc2ccccc2c1
24829 S=C(NCCc1c[nH]c2ccccc12)SCc1cccnc1
24830 S=C(NCCc1c[nH]c2ccccc12)SCc1ccncc1
24831 CNC(=S)NCc1c[nH]c2ccccc12
24832 CNC(=S)NCCc1c[nH]c2ccccc12
24833 CSC(=O)NCc1c[nH]c2ccccc12
24834 CCC(=S)NCc1c[nH]c2ccccc12
24835 C(c1cscn1)c1c[nH]c2ccccc12
24836 Cc1nc(Cc2c[nH]c3ccccc23)cs1
24837 N(c1ccccc1-c1nnc[nH]1)c1ncnc2[nH]ccc12
24838 Cn1ccc2c(Nc3ccccc3-c3nnc[nH]3)ncnc12
24839 Cc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12
24840 Clc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12
24841 Cc1nnc([nH]1)-c1ccccc1Nc1ncnc2[nH]ccc12
24842 Cc1nnc([nH]1)-c1cc(Cl)ccc1Nc1ncnc2[nH]ccc12
24843 Cc1nnc([nH]1)-c1ccc(Cl)cc1Nc1ncnc2[nH]ccc12
24844 C1Cc2nc[nH]c2CN1c1ncnc2[nH]ccc12
24845 Clc1c[nH]c2ncnc(N3CCc4nc[nH]c4C3)c12
24846 C1N(c2ccccc2C11CCNCC1)c1ncnc2[nH]ccc12
24847 Clc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
24848 Fc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12
24849 CN1CCC2(CN(c3ccccc23)c2ncnc3[nH]ccc23)CC1
24850 CC(=O)N1CCC2(CN(c3ccc(F)cc23)c2ncnc3[nH]ccc23)CC1
24851 CS(=O)(=O)N1CCC2(CN(c3ccc(F)cc23)c2ncnc3[nH]ccc23)CC1
24852 Clc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
24853 Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
24854 C(c1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12)c1ccccc1
24855 N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12
24856 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCC(N)=O)cc1
24857 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCCN2CCN(C)CC2)cc1
24858 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2cnc[nH]2)cc1
24859 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nnc[nH]2)cc1
24860 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nccs2)cc1
24861 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2cccnc2)cc1
24862 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCCn2ccnc2)cc1
24863 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN(C)CCc2cn[nH]c2)cc1
24864 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nnc(C)[nH]2)cc1
24865 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nnc([nH]2)-c2ccccc2)cc1
24866 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCc2nnc(N)s2)cc1
24867 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCC(=O)c2ccccc2N)cc1
24868 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(N)=O)cc1
24869 CCNC(=O)NC1CCN(Cc2ccc(cc2)-c2nc3nc(SC)ncc3cc2-c2ccccc2)CC1
24870 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(=O)NCCC(N)=O)cc1
24871 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)NC(=O)CNC(C)=O)cc1
24872 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc(N)s2)cc1
24873 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)C(=O)Nc2ccncc2)cc1
24874 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nc(no2)-c2cccnc2)cc1
24875 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2cc(n[nH]2)-c2ccncc2)cc1
24876 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
24877 COc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
24878 N#Cc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
24879 NC(=O)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
24880 CNc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
24881 Nc1ncnc2nc(-c3ccc(CN4CCC(CC4)c4nc5ccc(F)cc5[nH]4)cc3)c(cc12)-c1ccccc1
24882 Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2nc3ncnc(N)c3cc2-c2ccccc2)CC1
24883 CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)n2ncc3c(N)ncnc23)cc1
24884 Nc1ncnc2n(cnc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
24885 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3cc(n[nH]3)-c3ccncc3)cc2)c(c1)-c1ccccc1
24886 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3cc(n[nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1
24887 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)c3nnc([nH]3)-c3ccccn3)cc2)c(c1)-c1ccccc1
24888 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3cc(cn3)-c3ccccn3)cc2)c(c1)-c1ccccc1
24889 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3cc(cn3)-c3cnccn3)cc2)c(c1)-c1ccccc1
24890 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3ncc4c(N)ncnc34)cc2)c(c1)-c1ccccc1
24891 Nc1nnc(s1)-c1cnc(-c2ccc(CN3CCC(CC3)n3c4cccnc4[nH]c3=O)cc2)c(c1)-c1ccccc1
24892 Nc1nnc(s1)-c1cnc(-c2ccc(CNCCC(=O)c3ccccc3N)cc2)c(c1)-c1ccccc1
24893 Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2ccccn2)CC1
24894 Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nccs2)CC1
24895 Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2ncccn2)CC1
24896 Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2ncon2)CC1
24897 Nc1ncnc2n(ncc12)C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnc[nH]2)CC1
24898 CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C(N)=O
24899 CNC(=O)Nc1snc(SC(C)c2ccc(Cl)cc2)c1C(N)=O
24900 CCC(Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
24901 CC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 |r|
24902 CC[C@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 |r|
24903 CNC(=O)Nc1snc(SC(C(C)C)c2ccc(Cl)cc2)c1C(N)=O
24904 CCCC(Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1
24905 CNC(=O)Nc1snc(SC(c2ccc(Cl)cc2)C(F)(F)F)c1C(N)=O
24906 CNC(=O)Nc1snc(SC(c2ccccc2)c2ccc(Cl)cc2)c1C(N)=O
24907 CNC(=O)Nc1snc(SCc2ccc(Cl)cc2)c1C#N
24908 NC(=O)c1c(N)snc1SCc1ccc(Cl)cc1
24909 NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccccn1
24910 NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1
24911 CC(Sc1nsc(Nc2cccnc2)c1C(N)=O)c1ccc(Cl)cc1
24912 NC(=O)c1c(SCC2CCCCC2)nsc1Nc1cccnc1
24913 NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1
24914 NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1
24915 NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncn1
24916 COc1ccc(Nc2snc(SCc3ccc(Cl)cc3)c2C(N)=O)cn1
24917 NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccc(=O)[nH]c1
24918 NC(=O)Nc1snc(SC2CCc3cc(Cl)ccc23)c1C(N)=O
24919 CNC(=O)Nc1snc(SC2CCc3cc(Cl)ccc23)c1C(N)=O
24920 NC(=O)Nc1snc(SC2CCCc3ccccc23)c1C(N)=O
24921 CNC(=O)Nc1snc(SC2CCCc3ccccc23)c1C(N)=O
24922 NC(=O)Nc1snc(SC2CCCCc3ccccc23)c1C(N)=O
24923 NC(=O)Nc1snc(S[C@@H]2CCCCc3ccccc23)c1C(N)=O |r|
24924 NC(=O)Nc1snc(S[C@H]2CCCCc3ccccc23)c1C(N)=O |r|
24925 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1)c1ccccc1 |r|
24926 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(Cl)c1)c1ccccc1 |r|
24927 C[C@H](Nc1cc2c(noc2cn1)-c1ccccc1)c1ccccc1 |r|
24928 C[C@H](Nc1cc2c(noc2cn1)-c1cccc(C)c1)c1ccccc1 |r|
24929 C[C@H](Nc1cc2c(noc2cn1)-c1ccc(C)cc1)c1ccccc1 |r|
24930 C[C@H](Nc1cc2c(noc2cn1)-c1cc(C)cc(C)c1)c1ccccc1 |r|
24931 C[C@H](Nc1cc2c(noc2cn1)-c1cccc(Cl)c1)c1ccccc1 |r|
24932 COc1ccc(cc1OC)-c1noc2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
24933 C[C@H](Nc1cc2c(noc2cn1)-c1ccc2OCOc2c1)c1ccccc1 |r|
24934 C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCCO)c1)c1ccccc1 |r|
24935 C[C@H](Nc1cc2c(noc2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|
24936 C[C@H](Nc1cc2c(Cc3ccccc3)noc2cn1)c1ccccc1 |r|
24937 C[C@H](Nc1cc2c(noc2cn1)-c1cccs1)c1ccccc1 |r|
24938 C[C@H](Nc1cc2c(noc2cn1)-c1cscc1C)c1ccccc1 |r|
24939 C[C@H](Nc1cc2c(noc2cn1)C1CCCCC1C)c1ccccc1 |r|
24940 C[C@H](Nc1cc2c(noc2cn1)C1CCCN(CCC(N)=O)C1)c1ccccc1 |r|
24941 CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
24942 CCSCc1ccc2n3[C@H]4C[C@](O)(C(=O)OC)[C@](C)(O4)n4c5ccc(CSCC)cc5c5c6CNC(=O)c6c(c2c1)c3c45 |r|
24943 COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
24944 CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4[nH]c32)c1
24945 Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c3[nH]c3ccccc23)c1
24946 OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccccc4CCc3c12
24947 COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
24948 COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCCO)c32)c1
24949 CC(C)Oc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
24950 OCCn1c2ccccc2c2c3CNC(=O)c3c3-c4ccc(O)cc4CCc3c12
24951 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC5CC5)ccc-34)c12
24952 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCC5)ccc-34)c12
24953 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OC5CCCCC5)ccc-34)c12
24954 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCc5ccccn5)ccc-34)c12
24955 COCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
24956 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCOCc5ccccc5)ccc-34)c12
24957 OCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
24958 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCC#N)ccc-34)c12
24959 OCCn1c2ccccc2c2c3CNC(=O)c3c-3c(CCc4cc(OCCCC#N)ccc-34)c12
24960 CP(O)(O)C=N
24961 NC(N)=O
24962 CP(O)(=O)CNC(=O)CN
24963 CC(C)[C@H](N)C(=O)NCP(C)(O)=O |r|
24964 CP(O)(=O)CNC(=O)[C@@H](N)Cc1ccccc1 |r|
24965 CP(O)(=O)CNC(=O)[C@@H](N)COCc1ccccc1 |r|
24966 CP(O)(=O)CNC(=O)[C@@H](N)CO |r|
24967 CN=CP(C)(O)O |w:1.0|
24968 CP(O)(=O)CNC(=O)OCc1ccccc1
24969 CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1
24970 CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1
24971 CP(O)(=S)CNC(=O)OCc1ccccc1
24972 CCCCCCCCCCC[C@@H](C[C@@H]1NC(=O)[C@H]1CCCCCC)OC(=O)CNC=O |r|
24973 CCCCCCCCCCC[C@H](C[C@H]1NC(=O)[C@@H]1CCCCCC)OC(=O)CNC=O |r|
24974 CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)NC1=O |r|
24975 CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C |r|
24976 CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C |r|
24977 CCCCCCCCCCC[C@H](O)C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1 |r|
24978 CCCCCCCCCCC[C@@H](O)C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1 |r|
24979 CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)OC(=O)CNC=O |r|
24980 CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)OC(=O)CNC=O |r|
24981 CCCCCC[C@H]1[C@H](C[C@@H](O)CCCCC)N(OCc2ccccc2)C1=O |r|
24982 CCCCCC[C@H]1[C@H](C[C@H](CCCCC)OC(=O)[C@@H](NC=O)C(C)C)N(OCc2ccccc2)C1=O |r|
24983 CCCCCC[C@H]1[C@H](C[C@@H](O)CCCCC)NC1=O |r|
24984 Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccccc2)C1=O |w:15.16|
24985 Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccc(F)cc2)C1=O |w:14.15|
24986 [O-][N+](=O)c1ccccc1-c1ccc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)o1 |w:13.13|
24987 Clc1ccccc1-c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)o1
24988 CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O
24989 CCn1c(nc2cncc(OC3CCNCC3)c12)-c1nonc1N
24990 CCn1c(nc2cncc(C(=O)NCCNC)c12)-c1nonc1N
24991 CCn1c(nc2cncc(C(=O)N3CC[C@@H](N)C3)c12)-c1nonc1N |r|
24992 CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)-c1nonc1N
24993 CCn1c(nc2cncc(C(=O)NC3CCCNC3)c12)-c1nonc1N
24994 CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
24995 CCn1c(nc2cncc(C(=O)NC3CCNCC3)c12)-c1nonc1N
24996 CCn1c(nc2cncc(CNC3CCNCC3)c12)-c1nonc1N
24997 CCn1c(nc2c(ncc(OCCCN)c12)-c1ccccc1)-c1nonc1N
24998 CCn1c(nc2c(ncc(OCCCN)c12)-c1ccc[nH]1)-c1nonc1N
24999 CCn1c(nc2c(ncc(OCCCN)c12)-c1ccoc1)-c1nonc1N
25000 CCn1c(nc2c(ncc(OCCCN)c12)-c1cc[nH]c1)-c1nonc1N
25001 CCn1c(nc2c(ncc(OCCCN)c12)-c1cn[nH]c1)-c1nonc1N
25002 CCn1c(nc2c(ncc(OCCCN)c12)C#CC1CC1)-c1nonc1N
25003 CCn1c(nc2c(ncc(OCCCN)c12)C#CC(C)(C)O)-c1nonc1N
25004 CCn1c(nc2c(ncc(OCCCN)c12)C#CCO)-c1nonc1N
25005 CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
25006 CCn1c(nc2c(ncc(OCCCN)c12)C#CCN)-c1nonc1N
25007 CCn1c(nc2c(ncc(OCCCCN)c12)C#CC(C)(C)O)-c1nonc1N
25008 CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
25009 CCn1c(nc2c(ncc(OCCN)c12)C#CC(C)(C)O)-c1nonc1N
25010 CCn1c(nc2c(ncc(OCC[C@@H](N)Cc3ccccc3)c12)C#CC(C)(C)O)-c1nonc1N |r|
25011 CCn1c(nc2c(ncc(OCC3CCNC3)c12)C#CC(C)(C)O)-c1nonc1N
25012 CCn1c(nc2c(ncc(OC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
25014 CCn1c(nc2c(ncc(OC[C@@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
25015 CCn1c(nc2c(ncc(OCCCNCCc3ccc(OC)cc3)c12)C#CC(C)(C)O)-c1nonc1N
25016 CCn1c(nc2c(ncc(OCCCNC[C@H](O)CO)c12)C#CC(C)(C)O)-c1nonc1N |r|
25017 CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12
25018 Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
25019 Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
25020 Cc1csc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
25021 CN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
25022 COCCN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
25023 CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
25024 OCCN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
25025 C1CN(CCO1)c1nc(nc2ccsc12)-c1cccc2[nH]ncc12
25026 C1CN(CCO1)c1nc(nc2ccsc12)-c1ccc2cn[nH]c2c1
25027 CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
25029 Cc1nc2ccccn2c1-c1ccn(n1)S(=O)(=O)c1ccc(F)cc1
25030 Cc1nc2ccc(Br)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25031 CC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1c(C)nc2ccc(Br)cn12 |w:2.2|
25032 CC(=NNS(=O)(=O)c1cc(ccc1C)[N+]([O-])=O)c1cnc2ccc(Br)cn12 |w:2.2|
25033 Cc1ccc(cc1S(=O)(=O)NN=Cc1cnc2ccc(Br)cn12)[N+]([O-])=O |w:12.13|
25034 CN(N=C(C)c1c(C)nc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |w:2.1|
25035 CN(N=C(C)c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |w:2.1|
25036 CN(\N=C\c1cnc2ccc(Br)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25037 CN(\N=C\c1cnc2ccc(Cl)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25038 CN(\N=C\c1cnc2ccc(F)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25039 CN(\N=C\c1cnc2ccc(cn12)C(F)(F)F)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25040 CN(\N=C\c1cnc2ccc(C)cn12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25041 CN(\N=C\c1cnc2ccc(cn12)C#N)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25042 CCOC(=O)c1ccc2ncc(\C=N\N(C)S(=O)(=O)c3cc(ccc3C)[N+]([O-])=O)n2c1
25043 CN(\N=C\c1cnc2ccc(cn12)C(N)=O)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
25046 CCc1cccc(CC)c1-c1cc(C)c2CN(CCc2n1)c1c(C)ccnc1C
25047 Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1ccc(F)cc1
25048 Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
25049 Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
25050 Cc1nc2ccc(Cl)cn2c1-c1ccn(n1)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O
25051 CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1c(C)cnc2[nH]ccc12
25052 Cc1ccc(cc1S(=O)(=O)n1ccc(n1)-c1cnc2ccc(Br)cn12)[N+]([O-])=O
25053 Cc1ccc(cc1S(=O)(=O)n1ccc(c1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
25054 Cc1ccc(cc1Sc1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
25055 Cc1ccc(cc1S(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
25056 Cc1ccc(cc1S(=O)(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
25057 OCc1ccc(cc1S(=O)c1nc(cs1)-c1cnc2ccc(Cl)cn12)[N+]([O-])=O
25058 COc1cc(O)cc(\C=C2/SC(=S)NC2=O)c1
25059 O=C1NC(=S)S\C1=C/c1ccc2OCC(=O)N(Cc3ccccc3)c2c1
25060 Cc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25061 CC(C)(C)c1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25062 Clc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25063 O=C1NC(=S)S\C1=C/c1ccc2OCC(=O)N(Cc3ccc(cc3)C#N)c2c1
25064 FC(F)(F)c1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25065 Cc1cccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
25066 Cc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1C
25067 O=C1NC(=S)S\C1=C/c1ccc2OCC(=O)N(CCc3ccccc3)c2c1
25068 Cc1cc(C)cc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
25069 COc1cc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc(OC)c1
25070 Clc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25071 COc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25072 Cc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25073 Brc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25074 Clc1cccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
25075 Clc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl
25076 CC(C)(C)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25077 FC(F)(F)c1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1
25078 Clc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c(Cl)c1
25079 Cc1cccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
25080 COc1cccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)c1
25081 Fc1ccc(CCN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1F
25082 Nc1nc(N)c2nc(cnc2n1)-c1cccc(O)c1
25083 Nc1nc(N)c2nc(cnc2n1)-c1cccc2[nH]ccc12
25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
25085 Nc1ccc2nc(-c3cccc(O)c3)c(nc2c1)-c1cccc(O)c1
25086 Oc1cccc(c1)-c1nc2cncnc2nc1-c1cccc(O)c1
25087 Nc1cncc2nc(-c3cccc(O)c3)c(nc12)-c1cccc(O)c1
25088 Nc1ccc2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
25089 Oc1cccc(c1)-c1nc2[nH]c(=O)[nH]c(=O)c2nc1-c1cccc(O)c1
25090 Nc1nc2nc(-c3cccc(O)c3)c(nc2c(=O)[nH]1)-c1cccc(O)c1
25091 Nc1ncnc2nc(-c3cccc(O)c3)c(nc12)-c1cccc(O)c1
25092 Nc1nc(NCCCN2CCOCC2)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
25093 Oc1cccc(c1)-c1nc2nc(NCCCN3CCOCC3)nc(NCCCN3CCOCC3)c2nc1-c1cccc(O)c1
25094 Nc1nc(N)c2nc(-c3ccc(O)c(O)c3)c(nc2n1)-c1ccc(O)c(O)c1
25095 Nc1nc(N)c2nc(cnc2n1)-c1ccc(O)c(O)c1
25096 Nc1nc(N)c2nc(cnc2n1)-c1ccc(O)cc1
25097 Nc1nc(N)c2nc(-c3ccc(O)cc3)c(nc2n1)-c1ccc(O)cc1
25098 Nc1nc(N)c2ncc(nc2n1)-c1cccc(O)c1
25099 Nc1nc(N)c2ncc(nc2n1)-c1ccc(O)cc1
25100 Nc1nc(N)c2ncc(nc2n1)-c1ccc(O)c(O)c1
25101 Nc1nc(N)c2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
25102 COc1cccc(c1)-c1nc2nc(N)nc(N)c2nc1-c1cccc(OC)c1
25103 Nc1nc(N)c2nc(-c3cccc(OCC(O)CO)c3)c(nc2n1)-c1cccc(OCC(O)CO)c1
25104 CCN(CC)CCOc1cccc(c1)-c1nc2nc(N)nc(N)c2nc1-c1cccc(OCCN(CC)CC)c1
25105 CCOP(=O)(OCC)Oc1cccc(c1)-c1nc2nc(N)nc(N)c2nc1-c1cccc(OP(=O)(OCC)OCC)c1
25106 Nc1ncnc2nc(-c3ccc(O)c(O)c3)c(nc12)-c1ccc(O)c(O)c1
25107 Nc1ccc2nc(-c3ccc(O)c(O)c3)c(nc2n1)-c1ccc(O)c(O)c1
25108 Nc1cncc2nc(-c3ccc(O)cc3)c(nc12)-c1ccc(O)cc1
25109 Nc1ccc2nc(-c3ccc(O)cc3)c(nc2n1)-c1ccc(O)cc1
25110 Nc1ncnc2nc(-c3ccc(O)cc3)c(nc12)-c1ccc(O)cc1
25111 Nc1ncnc2nc(cnc12)-c1ccc(O)c(O)c1
25112 Nc1ncnc2ncc(nc12)-c1ccc(O)c(O)c1
25113 Nc1ccc(cc1)-c1csc2ncnc(N)c12
25114 Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
25115 NC(=O)c1c(NC(=O)NCCCCN2CCCC2)snc1OCc1c(F)cc(Br)cc1F
25116 Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
25119 N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C\c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|
25120 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC
25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
25122 OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28|
25123 CC(=O)Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
25124 Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:14:9:16:13.12.15,14:13:9.10.8:16,THB:12:11:8:13.14.15,12:13:8:11.10.16|
25125 OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28|
25126 OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)cc1
25127 CC(C)(C)C#Cc1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
25128 Cc1cccc(C)c1-c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl |(-4.83,6.88,;-6.17,6.11,;-7.5,6.88,;-8.83,6.11,;-8.83,4.57,;-7.5,3.8,;-7.5,2.26,;-6.17,4.57,;-4.83,3.8,;-3.5,4.57,;-2.17,3.8,;-2.17,2.26,;-3.5,1.49,;-4.83,2.26,;-5.6,.93,;-.83,4.57,;-.83,6.11,;.5,6.88,;1.83,6.11,;3.17,6.88,;4.5,6.11,;5.84,6.88,;7.17,6.11,;5.84,8.42,;1.83,4.57,;.5,3.8,;.5,2.26,)|
25129 OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC1CC(C2)C3 |THB:24:23:20:25.27.26,24:25:23.22:20|
25130 CC1(CCCCC1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
25131 CC12CC3CC(C)(C1)CC(C3)(C2)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:4:3:11:7.8.5,4:5:11:3.2.10,THB:2:1:8:3.4.10,2:3:1.7.11:8|
25132 CC1(SCCCS1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
25133 CCC(CC)(CC)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
25134 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
25135 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1
25136 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F
25137 CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
25138 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1
25139 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1
25140 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1
25141 CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1
25142 CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r|
25144 CN1CCCCC1C(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 |r|
25145 CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)Nc1cnc2ccccc2c1 |r|
25146 COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc(c[nH]3)-c3ccccc3)c2c1 |r|
25147 COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(C)=O)c3nc4ccc(Cl)cc4[nH]3)c2c1 |r|
25148 CCC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1nc(c[nH]1)-c1ccccc1 |r|
25149 Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)OC(C)(C)C)ccc12
25150 ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1
25151 FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
25152 CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
25153 CCOC(=O)c1ccc(s1)C(=O)C(F)(F)F
25154 CCOC(=O)c1ccc(o1)C(=O)C(F)(F)F
25155 CCNC(=O)c1ccc(s1)C(=O)C(F)(F)F
25156 FC(F)(F)C(=O)c1ccc(s1)C(=O)NCCc1ccccc1
25157 CN(Cc1ccccc1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
25158 C[C@@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
25159 C[C@H](NC(=O)c1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
25160 COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)F)cc1
25161 FC(F)(F)C(=O)c1ccc(s1)C(=O)NCC1CCCCC1
25162 FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
25163 CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(=O)C(F)(F)F
25164 FC(F)(F)C(=O)c1ccc(s1)C(=O)N1CCn2c(C1)ncc2-c1ccccc1
25165 CN(Cc1ccccc1)C(=O)c1ccc(s1)C(O)C(F)(F)F
25166 FC(F)(F)C1(OCCO1)c1ccc(s1)C(=O)N1CCc2ccccc12
25167 CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(s1)C(O)=O
25168 C[C@@H](NC(=O)c1ccc(s1)C(=O)NO)c1ccccc1 |r|
25169 C[C@@H](NC(=O)c1ccc(s1)C(C)=O)c1ccccc1 |r|
25170 COc1ccc(CNC(=O)c2ccc(s2)C(=O)C(F)(F)C(F)(F)F)cc1
25171 OP(O)(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
25172 FC(F)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
25173 OB(O)C(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
25174 CS(=O)(=O)c1ccc(s1)C(=O)N1CCc2ccccc12
25175 CN(Cc1ccc(s1)C(=O)C(F)(F)F)Cc1ccccc1
25176 C[C@@H](NCc1ccc(s1)C(=O)C(F)(F)F)c1ccccc1 |r|
25177 COc1ccc(COCc2ccc(s2)C(=O)C(F)(F)F)cc1
25178 CN(Cc1ccccc1)S(=O)(=O)c1csc(c1)C(=O)C(F)(F)F
25179 CN(Cc1ccccc1)S(=O)(=O)c1ccc(s1)C(=O)C(F)(F)F
25180 CN(Cc1ccccc1)C(=O)c1cc(cs1)C(=O)C(F)(F)F
25181 FC(F)(F)C(=O)c1csc(c1)C(=O)NCC1CCCCC1
25182 CN(Cc1ccccc1)C(=O)c1cnc(s1)C(=O)C(F)(F)F
25183 FC(F)(F)C(=O)c1ncc(s1)C(=O)NCC1CCCCC1
25184 FC(F)(F)C(=O)c1ccc([nH]1)C(=O)N1CCc2ccccc12
25185 FC(F)(F)C(=O)c1cccc(c1)C(=O)NCC1CCCCC1
25186 FC(F)(F)C(=O)c1ccc(cc1)C(=O)NCC1CCCCC1
25187 NC(=O)c1ccc(cn1)C(=O)C(F)(F)F
25188 Oc1cccc(Nc2c(Cl)cnc3cc(ccc23)-c2cncs2)c1
25189 Cc1ccc(O)cc1Nc1cc(nc2ccc(cc12)-c1ccncc1)C(F)(F)F
25190 Oc1cc(Nc2ccnc3cc(ccc23)-c2cccc(CNCCN3CCOCC3)c2)c(F)cc1Cl
25191 Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1csc(C=O)n1
25192 OCc1nc(cs1)-c1ccc2c(Nc3cc(O)c(F)cc3Cl)ccnc2c1
25193 Cc1ccc(O)cc1Nc1ccnc2cc(ccc12)-c1ccccn1
25194 Oc1cccc(Nc2ccnc3cc(ccc23)-c2ccccn2)c1
25195 Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)-c1cccnc1
25196 CC(C)NC(=O)c1ccc2nccc(Nc3cc(O)ccc3C)c2c1
25197 Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(=O)(=O)NCC1CC1
25198 Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)S(C)(=O)=O
25199 Oc1cc(Nc2ccnc3cc(ccc23)-c2cc3ccccc3o2)ccc1Br
25200 Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(CN4CCOCC4)n3)c(cc12)S(C)(=O)=O
25201 Oc1cc(Nc2ccnc3cc(-c4ccc(CN5CCOCC5)o4)c(Cl)cc23)c(Cl)cc1F
25202 COc1ccc(Nc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1Cl
25203 COc1cc(Nc2ncnc(Nc3c4OCOc4ccc3Cl)n2)cc(OC)c1OC
25204 COc1cc(Nc2cc(Nc3c4OCOc4ccc3Cl)ncn2)cc(OC)c1OC
25205 COc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(OC)c1OC
25206 Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccccc2)n1
25207 Fc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
25208 Fc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
25209 Fc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
25210 Clc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
25211 Clc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
25212 Clc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
25213 Cc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
25214 Cc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
25215 Cc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
25216 COc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
25217 COc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
25218 COc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
25219 Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccccc2C#N)n1
25220 Clc1ccc2OCOc2c1Nc1ccnc(Nc2cccc(c2)C#N)n1
25221 Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
25222 NS(=O)(=O)c1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
25223 NS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
25224 NS(=O)(=O)c1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
25225 CS(=O)(=O)c1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
25226 CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
25227 CS(=O)(=O)c1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
25228 Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccccc2N2CCOCC2)n1
25229 Clc1ccc2OCOc2c1Nc1ccnc(Nc2cccc(c2)N2CCOCC2)n1
25230 Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
25231 Nc1ccccc1NC(=O)c1ccc(cc1)-c1ncccc1C#N
25232 Cc1cc(CN2CCC2)cnc1-c1ccc(cc1)C(=O)Nc1ccccc1N
25233 Nc1ccccc1NC(=O)c1ccc(cc1)-c1ncc(CN2CCC2)cc1C#N
25234 Nc1ccccc1NC(=O)c1ccc(cc1)-c1ncc(CN2CCC2)cc1Cl
25235 Nc1ccccc1NC(=O)c1ccc(cc1)-c1ncc(CN2CCC2)cc1F
25236 CCN1CCN(Cc2cnc(c(C)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
25237 CCN1CCN(Cc2cnc(-c3ccc(cc3)C(=O)Nc3ccccc3N)c(c2)C#N)CC1
25238 CCN1CCN(Cc2cnc(c(Cl)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
25239 CCN1CCN(Cc2cnc(c(F)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
25240 CC(C)N1CCN(Cc2cnc(c(C)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
25241 CC(C)N1CCN(Cc2cnc(-c3ccc(cc3)C(=O)Nc3ccccc3N)c(c2)C#N)CC1
25242 CC(C)N1CCN(Cc2cnc(c(Cl)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
25243 CC(C)N1CCN(Cc2cnc(c(F)c2)-c2ccc(cc2)C(=O)Nc2ccccc2N)CC1
25244 Nc1ccccc1NC(=O)c1ccccn1
25245 Nc1ccccc1NC(=O)c1ccc(cc1)-c1nccs1
25246 CN1CCC(CC1)c1ccc(cc1)C(=O)Nc1ccccc1N
25247 Nc1ccccc1NC(=O)c1ccc(cc1)C1CCN(Cc2ccccc2)CC1
25248 Nc1ccccc1NC(=O)c1ccc(cc1)-c1ncc(CN2CCCCC2)s1
25249 CCNCc1cnc(s1)-c1ccc(cc1)C(=O)Nc1ccccc1N
25250 CCCNCc1cnc(s1)-c1ccc(cc1)C(=O)Nc1ccccc1N
25251 Nc1ccccc1NC(=O)c1ccc(cc1)C1CCN(CCC(=O)Nc2ccccc2F)CC1
25252 CN(C)C(=O)c1ccc(CN2CCC(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
25253 Nc1ccccc1NC(=O)c1ccc(cc1)C1CCN(Cc2ccc(cc2)C(=O)NC2CC2)CC1
25254 CCNC(=O)c1ccc(CN2CCC(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
25255 CNC(=O)c1ccc(CN2CCC(CC2)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
25256 CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)([O-])=O
25257 CC(=C)CCOP(O)(=O)OP(O)(O)=O
25258 CCCCCCCCCCOc1cc(CC(P(O)(O)=O)P(O)([O-])=O)c[n+](C)c1
25259 CCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25260 CCCCCCCCCCCCN(C)CC(P(O)(O)=O)P(O)(O)=O
25261 CCCCCCCCCCc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25262 CCCCCCCCCCOc1cc(Br)c[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25263 CCCCCCCCCCOc1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
25264 CCCCCCCCc1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)cc1
25265 CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
25266 OC(Cc1cccc(c1)-c1ccc(cc1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
25267 CCCCCCCCCCOc1cc(c[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1)-c1cc(F)cc(F)c1
25268 CCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)([O-])=O
25269 CCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
25270 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])(P([#8])([#8])=O)P([#8])([#8])=O
25271 CC(C)CCCC(C)CCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25272 CCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
25273 CCCCCCCCCCNc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25274 CCCCCCCCc1ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
25275 CCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
25276 CCCCCCC#Cc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25277 CCCCC\C=C\CC(C\C=C\CCCCC)(P(O)(O)=O)P(O)(O)=O
25278 CCCCCCCOc1cc(CC(P(O)(O)=O)P(O)([O-])=O)c[n+](C)c1
25279 OC(Cc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
25280 CCCCCCCCCCOc1cccc(CC(CCCCCCCC)(P(O)(O)=O)P(O)(O)=O)c1
25281 CCCCCCCCC(CCCCCCCC)(P(O)(O)=O)P(O)(O)=O
25282 CCCCCCCCS(=O)(=O)Nc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25283 CCCCOc1cccc(c1)-c1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25284 OC(Cc1cccc(c1)-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1)(P(O)(O)=O)P(O)(O)=O
25285 CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
25286 CCCCCCCCCCCCOc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25287 CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
25288 OC(Cc1cccc(c1)-c1cccc2c1oc1ccccc21)(P(O)(O)=O)P(O)(O)=O
25289 OC(COc1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)(O)=O
25290 CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
25291 CCCCCCCCCCOc1cncc(CC(P(O)(O)=O)P(O)(O)=O)c1
25292 CCCCCCCCCCCCOc1cncc(CC(P(O)(O)=O)P(O)(O)=O)c1
25293 CCCCCCc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25294 CCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
25295 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1ccc[n+](-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8-])=O)c1
25296 OP(O)(=O)C(C[n+]1cccc(c1)-c1ccccc1)P(O)([O-])=O
25297 OC(C[n+]1cccc(c1)-c1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
25298 CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O
25299 OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
25300 OP(O)(=O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)P(O)(O)=O
25301 Cc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25302 C[S+](C)CC(O)(P(O)(O)=O)P(O)([O-])=O
25303 CCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
25304 [#7]\[#6](-[#7])=[#7]/[#6]C([#8])(P([#8])([#8])=O)P([#8])([#8])=O
25305 C[S+](CCCCCCCCCCC(O)=O)CC(P(O)(O)=O)P(O)([O-])=O
25306 CCOCCOCCCc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
25307 OP(O)(=O)C(C[n+]1cccc(Br)c1)P(O)([O-])=O
25308 OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
25309 C[P+](C)(C)CC(P(O)(O)=O)P(O)([O-])=O
25310 OC(C[n+]1ccccc1)(P(O)(O)=O)P(O)([O-])=O
25311 OP(O)(=O)C(C[n+]1ccccc1)P(O)([O-])=O
25312 OP(O)(=O)C(C[n+]1cccc(c1)-c1c[nH]cn1)P(O)([O-])=O
25313 NCCCC(O)(P(O)(O)=O)P(O)(O)=O
25314 O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)Nc1nccs1
25315 O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O |r|
25316 [O-][N+](=O)c1ccc2nc(NC(=O)CC(NC(=O)c3ccccc3)c3ccccc3)sc2c1
25317 Oc1cc(c2cc(ccc2c1N=Nc1ccc2ccccc2c1O)[N+]([O-])=O)S(O)(=O)=O |w:12.14|
25318 COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1 |c:10,t:13|
25319 Nc1nc(SCc2ccccc2)c(N)c(SCc2ccccc2)n1
25320 Cc1cc(\N=N\c2ccc(cc2)S(O)(=O)=O)c(N)c(\N=N\c2ccc(cc2)S(O)(=O)=O)c1N
25321 COc1cc(cc(OC)c1OC)C1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1Cc1cccnc1
25322 [O-][N+](=O)c1cc(C(=O)NNC(=O)Nc2ccccc2)c(Br)c(c1)[N+]([O-])=O
25323 Oc1cccc(Nc2cc(Nc3ccc(cc3O)[N+]([O-])=O)c([N+]([O-])=O)c3nonc23)c1
25324 CCOC(=O)C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O
25325 CN(CC(O)=O)c1nc2ccc(cc2s1)[N+]([O-])=O
25326 CC(C)c1ccc(C)c(c1)N1CCc2nc(cc(C)c2C1)-c1cccc2[nH]cc(C)c12
25328 CN(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25329 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)N1CCOCC1
25330 CN(C)C1(CCOCC1)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25331 CC(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25332 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NS(C)(=O)=O
25333 CN(C)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25334 CN(C)S(=O)(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25335 CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25336 COC(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25337 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)C(O)=O
25338 CN(C)C(=O)C(=O)N(C)C(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25339 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)C(=O)N1CCOCC1
25340 CN1CCN(CC1)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25341 CNC(=O)c1nc(n(C)c(=O)c1O)C(C)(C)NC(=O)C(=O)N(C)C
25342 COc1cccc(CNC(=O)c2nc(n(C)c(=O)c2O)C(C)(C)NC(=O)C(=O)N(C)C)c1OC
25343 CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)c(O)c(=O)n1C
25344 CN(C)C(=O)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)c(Cl)c2)c(O)c(=O)n1C
25345 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1ccccn1
25346 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cccnn1
25347 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1ncccn1
25348 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cnco1
25349 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cscn1
25350 Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)NC(=O)c1cnc[nH]1
25351 Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25352 Cc1nnc([nH]1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
25353 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 |w:4.4,t:1|
25354 O=C1NC2(CCN(Cc3ccccc3)CC2)C(NC2CCCCC2)=N1 |c:26|
25355 CC(C)CCN1C(=O)N=C(NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 |t:8|
25356 O=C1N=C(NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1 |t:2|
25357 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
25358 CC(=O)Nc1ccc(cc1)N1C(O)=NC(=NC2CCCCC2)C11CCN(Cc2ccccc2)CC1 |w:15.16,c:13|
25359 OC1=NC(=NC2CCCCC2)C2(CCNCC2)N1c1cccc(F)c1 |w:4.4,t:1|
25360 OC1=NC(=NC2CCCCC2)C2(CCN(CC2)c2ccc(F)cc2)N1c1cccc(F)c1 |w:4.4,t:1|
25361 CC(=O)Nc1ccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)cc1 |w:20.22,c:18|
25362 OC1=NC(=NC2CCCCC2)C2(CCN(Cc3cccc(c3)-c3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
25363 Cc1ccccc1-c1cccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)c1 |w:24.27,c:23|
25364 [H][C@@]1(CCCOCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
25365 [H][C@@]1(CCOCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
25366 [H][C@]1(CCCOCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
25367 [H][C@]1(CCOCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
25368 [H][C@]1(CCCCOC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
25369 [H][C@@]1(CCCOCC1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(OC)cc1 |r|
25370 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCCCC1 |r|
25371 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCOC1 |r|
25372 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCOCCOC1 |r|
25373 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCOCCOCCOC1 |r|
25374 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCOCOCCOC1 |r|
25375 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCS(=O)(=O)CCOC1 |r|
25376 COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCCN(C)CCOC1 |r|
25377 CC1Nc2nc(NC(=O)c3ccc[n+](C)c3)[nH]c(=O)c2N(C1C)C(=O)c1ccc[n+](C)c1
25378 Cn1c2[nH]c(=S)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O
25379 CSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
25380 C\C(Cl)=C/CSc1nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1
25381 Cn1c2nc(SCCO)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O
25382 Cn1c2nc(SCC(N)=O)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O
25383 CC(N=Nc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |w:3.3|
25384 Cc1cc(C)n(n1)-c1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1ccccc1
25385 C\C(Cl)=C/CSc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)CCc1ccccc1
25386 Cn1c2nc(N=NCc3cccc(c3)[N+]([O-])=O)n(CC=C)c2c(=O)[nH]c1=O |w:5.4|
25387 CC(N=Nc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl)c1ccc(cc1)[N+]([O-])=O |w:3.3|
25388 Cn1c2nc(N=NCc3cccc(c3)[N+]([O-])=O)n(Cc3ccccc3)c2c(=O)[nH]c1=O |w:5.4|
25389 Cn1c2nc(N=NCc3ccc(cc3)[N+]([O-])=O)n(Cc3ccccc3)c2c(=O)[nH]c1=O |w:5.4|
25390 CC(N=Nc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1)c1ccccc1 |w:3.3|
25391 CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
25392 CC(C)NCC(O)c1ccc(O)c(O)c1
25393 CC(C)NC[C@H](O)COc1cccc2[nH]cc(I)c12
25394 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
25395 Nc1cc(ccc1O)C(O)CNCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
25396 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
25397 Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
25398 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
25399 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCOCCOCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12
25400 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
25401 Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25402 Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccccc1
25403 Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)C#N
25404 Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1nnn[nH]1
25405 NC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25406 OC(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25407 CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25408 CCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25409 CCCCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25410 CC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25411 CCC(C)Cc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25412 CC(C)CCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25413 Oc1cc(CC2CCCCC2)ccc1Oc1ccc(Cl)cc1Cl
25414 Cc1ccccc1-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25415 Cc1ccccc1-c1ccc(Oc2ccc(cc2Cl)C#N)c(O)c1
25416 Cc1cccc(c1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25417 Cc1ccc(cc1)-c1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1
25418 Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1ccc(F)cc1
25419 Oc1cc(Cc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
25420 Oc1cc(CCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
25421 Oc1cc(CCCc2ccccc2)ccc1Oc1ccc(Cl)cc1Cl
25422 Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccccn1
25423 Oc1cc(ccc1Oc1ccc(Cl)cc1Cl)-c1cccnc1
25424 Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccncc1
25425 Oc1cc(Cc2ccccn2)ccc1Oc1ccc(Cl)cc1Cl
25426 Oc1cc(Cc2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
25427 Oc1cc(Cc2ccncc2)ccc1Oc1ccc(cc1Cl)C#N
25428 CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
25430 Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
25431 COc1cc(ccc1C#N)-c1ccccc1O
25432 C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r|
25433 O[C@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
25434 OC1CCCCC1c1ccc(C#N)c(c1)C(F)(F)F
25435 O[C@H]1CCCC[C@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
25436 O[C@@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
25437 FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r|
25438 OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1cccnc1
25439 OC1(CCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
25440 COc1ccc(cc1)-c1ccc2c(CCC2(O)c2ccncc2)c1
25441 COc1ccc(cc1F)-c1ccc2c(CCC2(O)c2ccncc2)c1
25442 OC1(CCCc2cc(ccc12)-c1ccc(F)cc1)c1ccncc1
25443 OC1(CCCc2cc(ccc12)-c1ccc(F)c(F)c1)c1ccncc1
25444 COc1ccc(cc1F)-c1ccc2c(CCCC2(O)c2ccncc2)c1
25445 Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1cccnc1 |c:12|
25446 Fc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:12|
25447 COc1ccc(cc1)-c1ccc2C(=CCc2c1)c1ccncc1 |c:13|
25448 Fc1ccc(cc1)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:12|
25449 Fc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
25450 Oc1ccc(cc1O)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
25451 Oc1ccc(cc1F)-c1ccc2C(=CCCc2c1)c1ccncc1 |c:13|
25452 Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1cccnc1
25453 Fc1ccc(cc1)-c1ccc2C(CCc2c1)c1ccncc1
25454 Fc1ccc(cc1)-c1ccc2C(CCCc2c1)c1ccncc1
25455 Fc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
25456 Oc1ccc(cc1O)-c1ccc2C(CCCc2c1)c1ccncc1
25457 Oc1ccc(cc1F)-c1ccc2C(CCCc2c1)c1ccncc1
25458 [H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |t:3,23|
25460 OC(=O)CS(=O)c1ccc2-c3ccccc3C(=O)c3cccc1c23
25461 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1O
25462 [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O
25463 OC(=O)CSc1nnc2c3ccccc3c3ccccc3c2n1
25464 Nc1nc(Sc2ccc([N+]([O-])=O)c3nonc23)c2[nH]cnc2n1
25465 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]33C=C[C@]21C(C3C(O)=O)C(O)=O |c:23,t:12,THB:15:13:24.25:22.21,11:12:24.25:22.21,14:13:24.25:22.21|
25466 CC(=O)Nc1cc2C(=O)c3ccccc3-c2cc1[N+]([O-])=O
25467 [O-][N+](=O)c1cc2C(=O)c3ccccc3-c2c(c1)[N+]([O-])=O
25468 [O-][N+](=O)c1cc2C(=O)c3cc(F)ccc3-c2cc1F
25469 [O-][N+](=O)c1ccc(Sc2cccc[n+]2[O-])c2nonc12
25470 O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
25471 O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1
25472 O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
25473 COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
25474 CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
25475 CN(C)CCOc1cc(ccc1N)-c1cn[nH]c1
25476 CN(C)CCOc1cc(ccc1NC(C)=O)-c1cn[nH]c1
25477 CC1=C(C(NC(=N1)c1ccccc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25478 COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25479 CC1=C(C(NC(=N1)c1ccc(C)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25480 CC1=C(C(NC(=N1)c1ccc(C)c(F)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25481 CC1=C(C(NC(=N1)c1ccc(Cl)cc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25482 CC1=C(C(NC(=N1)c1cccc(C)c1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25483 CC1=C(C(NC(=N1)c1ccncc1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25484 CC1=C(C(NC(=N1)c1cnccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25485 CC1=C(C(NC(=N1)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25486 CC1=C(C(NC(=N1)c1ccccn1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25487 CC1=C(C(NC(=N1)c1ccc(nc1)C(F)(F)F)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25488 COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(C)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25489 COc1ccc(cc1)C1=NC(C)=C(C(C)N1)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25490 COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(N)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25491 COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25492 COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25493 CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:5,t:1|
25494 COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25495 COc1ccc(cn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1ccc2[nH]ncc2c1 |c:12,t:9|
25496 CC1=C(C(NC(=N1)c1ccnc(Cl)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1|
25497 Cc1n[nH]c2ccc(NC(=O)C3=C(C)N=C(NC3c3ccc(Cl)cc3F)c3ccnc(Cl)c3)cc12 |c:11,14|
25498 COc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:12,t:9|
25499 CCOc1cc(ccn1)C1=NC(C)=C(C(N1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:13,t:10|
25500 CC1=C(C(NC(=N1)c1ccnc(C)c1)c1ccc(Cl)cc1F)C(=O)Nc1cc2cn[nH]c2cc1F |c:5,t:1|
25501 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1C)c1ccccc1 |r|
25502 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(C)c1)c1ccccc1 |r|
25503 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccc(C)cc1)c1ccccc1 |r|
25504 COc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
25505 COc1cccc(c1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
25506 COc1ccc(cc1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
25507 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccccc1F)c1ccccc1 |r|
25508 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(F)c1)c1ccccc1 |r|
25509 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1ccc(F)cc1)c1ccccc1 |r|
25510 CC(C)c1cccc(c1)-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc12 |r|
25511 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)C#N)c1ccccc1 |r|
25512 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)N(C)C)c1ccccc1 |r|
25513 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cccc(c1)S(C)(=O)=O)c1ccccc1 |r|
25514 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(C)cc(C)c1)c1ccccc1 |r|
25515 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(Cl)c1)c1ccccc1 |r|
25516 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(Br)c1)c1ccccc1 |r|
25517 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(O)=O)c1)c1ccccc1 |r|
25518 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(N)=O)c1)c1ccccc1 |r|
25519 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCC(=O)NCCO)c1)c1ccccc1 |r|
25520 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(CCCN)c1)c1ccccc1 |r|
25521 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1NC(C)=O)c1ccccc1 |r|
25522 C[C@H](Nc1cc2n(nc(C)c2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r|
25523 C[C@H](Nc1cc2n(ncc2cn1)-c1cc(Cl)cc(c1)-c1ccccc1C(N)=O)c1ccccc1 |r|
25524 COc1ccc2c(c[n+](C)c3c4cc5OCOc5cc4ccc23)c1OC
25525 C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12
25526 COc1ccc2c(cnc3ccccc23)c1OC
25527 C1Oc2ccc3c(cnc4ccccc34)c2O1
25528 CC1(C)Oc2ccc3c(cnc4ccccc34)c2O1
25529 COc1ccc2c(c[n+](C)c3ccccc23)c1OC
25530 C[n+]1cc2c3OCOc3ccc2c2ccccc12
25531 C[n+]1cc2c3OC(C)(C)Oc3ccc2c2ccccc12
25532 COc1ccc2c(c[n+]([O-])c3ccccc23)c1OC
25533 [O-][n+]1cc2c3OCOc3ccc2c2ccccc12
25534 CC1(C)Oc2ccc3c(c[n+]([O-])c4ccccc34)c2O1
25535 COc1ccc2c(c[n+](C)c3ccc(CO)cc23)c1OC
25536 C[n+]1cc2c3OCOc3ccc2c2cc(CO)ccc12
25537 C[n+]1cc2c3OCOc3ccc2c2cc(CCO)ccc12
25538 COCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
25539 COCCc1ccc2[n+](C)cc3c4OCOc4ccc3c2c1
25540 Cn1cc2c(ccc(O)c2=[OH+])c2ccccc12
25541 Cn1cc2c(ccc(O)c2=[OH+])c2cc(CO)ccc12
25542 Cn1cc2c(ccc(O)c2=[OH+])c2cc(CCO)ccc12
25543 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Br)c1
25544 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccccc1
25545 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Cl)c1
25546 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(F)c1
25547 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(Oc2ccccc2)c1
25548 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc(OCc2ccccc2)c1
25549 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)cc1
25550 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(C)cc1
25551 COc1ccc(Nc2c(cncc2-c2ccc(OC)c(OC)c2)C#N)cc1
25552 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Oc2ccccc2)cc1
25553 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)cc1Cl
25554 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(C)cc1C
25555 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cc(Cl)ccc1Cl
25556 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc(Cl)c(Cl)c1
25557 COc1ccc(Nc2c(cncc2-c2ccc(OC)c(OC)c2)C#N)cc1OC
25558 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1
25559 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2cc[nH]c2c1
25560 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1ccc2CCCc2c1
25561 COc1cc(Nc2cncc(n2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
25562 COc1cc(Nc2cncc(n2)-c2ccncc2)cc(OC)c1OC
25563 COc1cc(Nc2cncc(n2)-c2cccnc2)cc(OC)c1OC
25564 COc1cc(Nc2cncc(n2)-c2cccc(O)c2)cc(OC)c1OC
25565 COc1cc(Nc2cncc(n2)-c2ccc(O)cc2)cc(OC)c1OC
25566 COc1cc(Nc2cncc(n2)-c2ccc(CO)cc2)cc(OC)c1OC
25567 CCOC(=O)c1cccc(c1)-c1cncc(Nc2cc(OC)c(OC)c(OC)c2)n1
25568 COc1cc(Nc2cncc(n2)-c2ccc(C=O)cc2)cc(OC)c1OC
25569 COc1cc(Nc2cncc(n2)-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1OC
25570 COc1cc(Nc2cncc(n2)-c2ccc(cc2)C(N)=O)cc(OC)c1OC
25571 COc1cc(Nc2nc(cnc2NC(C)=O)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
25572 COc1cc(Nc2cncc(c2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
25573 COc1cc(Nc2cncc(Nc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
25574 COc1cc(Nc2cncc(Nc3ccccc3)n2)cc(OC)c1OC
25575 COc1cc(Nc2cncc(Nc3ccncc3)n2)cc(OC)c1OC
25576 COc1cc(Nc2cncc(Nc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
25577 COc1cc(Nc2cncc(Nc3ccc(O)cc3)n2)cc(OC)c1OC
25578 COc1cc(Nc2cncc(Nc3cccc(F)c3)n2)cc(OC)c1OC
25579 COc1cc(Nc2cncc(Nc3ccc(F)cc3)n2)cc(OC)c1OC
25580 COc1cc(Nc2cncc(Oc3cccc4ccccc34)n2)cc(OC)c1OC
25581 COc1cc(Nc2cncc(Oc3ccc4ccccc4c3)n2)cc(OC)c1OC
25582 COc1cc(Nc2cncc(Oc3ccccc3)n2)cc(OC)c1OC
25583 COc1cc(Nc2cncc(Oc3ccncc3)n2)cc(OC)c1OC
25584 COc1cc(Nc2cncc(Oc3cccnc3)n2)cc(OC)c1OC
25585 COc1cc(Nc2cncc(Sc3cccc4ccccc34)n2)cc(OC)c1OC
25586 COc1cc(Nc2cncc(Oc3cccc4CCCCc34)n2)cc(OC)c1OC
25587 COc1cc(Nc2cncc(Oc3cccc4[nH]ccc34)n2)cc(OC)c1OC
25588 COc1cc(Nc2cncc(n2)-c2cccc(c2)C#N)cc(OC)c1OC
25589 COc1cc(Nc2cncc(Oc3ccc4CCC(=O)Oc4c3)n2)cc(OC)c1OC
25590 COc1cc(Nc2cncc(Oc3ccnc4ccccc34)n2)cc(OC)c1OC
25591 COc1cc(Nc2cncc(Oc3cccc4ncccc34)n2)cc(OC)c1OC
25592 COc1cc(Nc2cncc(Oc3ccc4ncccc4c3)n2)cc(OC)c1OC
25593 COc1cc(Nc2cncc(Oc3cccc4cnccc34)n2)cc(OC)c1OC
25594 COc1cc(Nc2cncc(Oc3cccc4C(=O)CCCc34)n2)cc(OC)c1OC
25595 COc1cc(Nc2cncc(Oc3ccc4C(=O)CCCc4c3)n2)cc(OC)c1OC
25596 COc1cc(Nc2cncc(Oc3cccc4C(=O)CCc34)n2)cc(OC)c1OC
25597 COc1cc(Nc2cncc(Oc3ccc4C(=O)CCc4c3)n2)cc(OC)c1OC
25598 COc1cc(Nc2cncc(Oc3ccc4CCC(=O)c4c3)n2)cc(OC)c1OC
25599 COc1cc(Nc2cncc(Oc3ccccc3-c3ccccc3)n2)cc(OC)c1OC
25600 COc1cc(Nc2cncc(Oc3ccccc3F)n2)cc(OC)c1OC
25601 COc1cc(Nc2cncc(Oc3cccc(F)c3)n2)cc(OC)c1OC
25602 COc1cc(Nc2cncc(Oc3cccc(Cl)c3)n2)cc(OC)c1OC
25603 COc1cc(Nc2cncc(Oc3cccc(NC(C)=O)c3)n2)cc(OC)c1OC
25604 COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)cc3)n2)cc(OC)c1OC
25605 COc1cc(Nc2cncc(Oc3cccc(c3)C(C)=O)n2)cc(OC)c1OC
25606 COc1cc(Nc2cncc(Oc3ccc(cc3)C(C)=O)n2)cc(OC)c1OC
25607 COc1cc(Nc2cncc(Oc3cccc(c3)C(C)N=O)n2)cc(OC)c1OC
25608 COc1cc(Nc2cncc(Oc3ccc(cc3)C(C)N=O)n2)cc(OC)c1OC
25609 COc1cc(Nc2cncc(Oc3cccc4C(CCc34)N=O)n2)cc(OC)c1OC
25610 COc1cc(Nc2cncc(Oc3ccc4CCC(N=O)c4c3)n2)cc(OC)c1OC
25611 COc1cc(Nc2cncc(Oc3ccc4C(CCCc4c3)N=O)n2)cc(OC)c1OC
25612 COc1cc(Nc2cncc(Oc3cccc4c(NC(C)=O)cccc34)n2)cc(OC)c1OC
25613 COc1cc(Nc2cncc(Oc3ccc(NC(C)=O)c4ccccc34)n2)cc(OC)c1OC
25614 CC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(c4)-c4cnco4)n3)cccc12
25615 CC(=O)Nc1cccc2c(Oc3cncc(Nc4ccc5COC(=O)c5c4)n3)cccc12
25616 CC(=O)Nc1ccc(Oc2cncc(Nc3cccc(c3)-c3cnco3)n2)c2ccccc12
25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
25618 O=NC1CCc2cc(ccc12)-c1c[nH]nc1-c1ccncc1
25619 Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25620 Cn1ncc(c1-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25621 CCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25622 O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCCC1
25623 O[C@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r|
25624 O[C@@H]1CCC[C@H]1n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r|
25625 O[C@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r|
25626 O[C@@H]1CCC[C@H](C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O |r|
25627 COCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25629 OCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25630 OCC(O)Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25631 OCC(CO)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25632 NCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25633 CN(C)CCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25634 NCCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25635 CN(C)CCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25636 O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCNCC1
25637 CN1CCC(CC1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25638 O=NC1CCc2cc(ccc12)-c1cn(nc1-c1ccncc1)C1CCOCC1
25639 O=NC1CCc2cc(ccc12)-c1cn(CC2CCNCC2)nc1-c1ccncc1
25640 O=NC1CCc2cc(ccc12)-c1cn(CC2CCCNC2)nc1-c1ccncc1
25641 CNC1CCCC(C1)n1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
25642 Cn1cc(c(n1)-c1ccc2n(C)ncc2c1)-c1ccc2C(CCc2c1)N=O
25643 Cn1cc(c(n1)-c1cccnc1)-c1ccc2C(CCc2c1)N=O
25644 Cn1cc(c(n1)-c1cnco1)-c1ccc2C(CCc2c1)N=O
25645 Cn1cc(c(n1)-c1ccnc(N)c1)-c1ccc2C(CCc2c1)N=O
25646 Cn1cc(c(n1)-c1ccncc1O)-c1ccc2C(CCc2c1)N=O
25647 Cn1cc(c(n1)-c1ccncn1)-c1ccc2C(CCc2c1)N=O
25648 Cn1cc(c(n1)-c1ccncc1)-c1ccc(cc1)C(=N)NO
25649 Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(NO)=NCc2c1 |c:20|
25650 Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(NO)=NCCc2c1 |c:20|
25651 Cn1cc(c(n1)-c1ccncc1)-c1ccc(cc1)-c1cc[nH]n1
25652 Cc1c[nH]nc1-c1ccc(cc1)-c1cn(C)nc1-c1ccncc1
25653 Cn1cc(c(n1)-c1ccncc1)-c1ccc-2c(Cc3c[nH]nc-23)c1
25654 Cn1cc(c(n1)-c1ccncc1)-c1ccc2C(=O)NCc2c1
25655 Cn1cc(c(n1)-c1ccncc1)-c1ccc2cn[nH]c2c1
25656 Fc1ccc(Nc2nccs2)cc1
25657 Fc1ccc(Nc2ncc(Cl)s2)cc1
25658 Fc1ccc(Nc2ncc(Br)s2)cc1
25659 Fc1ccc(Nc2nc(Br)cs2)cc1
25660 Fc1ccc(Nc2ncc(I)s2)cc1
25661 CN(c1ncc(Br)s1)c1ccc(F)cc1
25662 Brc1cnc(Nc2ccccc2)s1
25663 Clc1ccc(Nc2ncc(Br)s2)cc1
25664 Brc1cnc(Nc2ccc(Br)cc2)s1
25665 Brc1cnc(Nc2ccc(I)cc2)s1
25666 Cc1ccc(Nc2ncc(Br)s2)cc1
25667 FC(F)(F)c1ccc(Nc2ncc(Br)s2)cc1
25668 Brc1cnc(Nc2ccc(cc2)C#N)s1
25669 Oc1ccc(Nc2ncc(Br)s2)cc1
25670 COc1ccc(Nc2ncc(Br)s2)cc1
25671 FC(F)(F)Oc1ccc(Nc2ncc(Br)s2)cc1
25672 Brc1cnc(Nc2ccc(Oc3ccccc3)cc2)s1
25673 Brc1cnc(Nc2ccc(Oc3ccncc3)cc2)s1
25674 CC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25675 [O-][N+](=O)c1ccc(Nc2ncc(Br)s2)cc1
25676 Nc1ccc(Nc2ncc(Br)s2)cc1
25677 Brc1cnc(Nc2ccc(NC(=O)c3ccccc3)cc2)s1
25678 CC(=O)Nc1ccc(Nc2ncc(Br)s2)cc1
25679 CCOC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25680 OC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25681 CNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25682 OCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25683 COCCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25684 COCC(C)NC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25685 COCCN(C)C(=O)c1ccc(Nc2ncc(Br)s2)cc1
25686 CN(C)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25687 CCN(CC)CCNC(=O)c1ccc(Nc2ncc(Br)s2)cc1
25688 Brc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)s1
25689 Brc1cnc(Nc2ccc(cc2)C(=O)NCCN2CCCC2)s1
25690 Fc1cccc(Nc2ncc(Br)s2)c1
25691 Cc1cccc(Nc2ncc(Br)s2)c1
25692 FC(F)(F)c1cccc(Nc2ncc(Br)s2)c1
25693 COc1cccc(Nc2ncc(Br)s2)c1
25694 CSc1cccc(Nc2ncc(Br)s2)c1
25695 Brc1cnc(Nc2cccc(c2)C#N)s1
25696 CCOC(=O)c1cccc(Nc2ncc(Br)s2)c1
25697 OC(=O)c1cccc(Nc2ncc(Br)s2)c1
25698 COCCNC(=O)c1cccc(Nc2ncc(Br)s2)c1
25699 CNC(=O)c1cccc(Nc2ncc(Br)s2)c1
25700 Fc1ccccc1Nc1ncc(Br)s1
25701 Cc1ccccc1Nc1ncc(Br)s1
25702 FC(F)(F)c1ccccc1Nc1ncc(Br)s1
25703 COc1ccccc1Nc1ncc(Br)s1
25704 Fc1ccc(Nc2ncc(Br)s2)c(F)c1
25705 Fc1ccc(F)c(Nc2ncc(Br)s2)c1
25706 Clc1ccc(Nc2ncc(Br)s2)cc1Cl
25707 Clc1cc(Cl)cc(Nc2ncc(Br)s2)c1
25708 Cc1cc(C)cc(Nc2ncc(Br)s2)c1
25709 FC(F)(F)c1cc(Nc2ncc(Br)s2)cc(c1)C(F)(F)F
25710 Nc1ncc(Br)s1
25711 CC(=O)Nc1ncc(Br)s1
25712 Brc1cnc(NC(=O)c2ccccc2)s1
25713 Brc1cnc(NC(=O)Nc2ccccc2)s1
25714 Brc1cnc(NCCc2ccccc2)s1
25715 Brc1cnc(Nc2cccc3ccccc23)s1
25716 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cn3)C#N)c2)c2cnc(N)nc12
25717 Brc1cnc(Nc2cccnc2)s1
25718 Brc1cnc(Nc2ccncc2)s1
25719 CC(CO)(CO)n1cc(C(=O)c2cncc(NC(=O)c3cccc(OC(F)(F)F)c3)c2)c2cncnc12
25720 N#Cc1cnc(Nc2ccc(CN3CCOCC3)cn2)s1
25721 CNC(=O)N1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
25722 CN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
25723 CCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
25724 OCCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1
25725 O=C(Nc1ccccc1)Nc1ccccc1
25726 COc1ccc2cc(ccc2c1)C(OC(=O)OCC1OC1c1ccccc1)C#N
25727 COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
25728 Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
25729 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
25730 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
25731 O=C(NC1CCCCC1)NC1CCCCC1
25732 O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
25733 COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O |TLB:19:14:21:18.17.20,THB:13:14:17:21.20.12|
25734 OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|
25735 OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:14:21:18.17.20,19:18:14.15.13:21,THB:17:16:13:18.19.20,17:18:13:16.15.21|
25736 OC(=O)CCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:16:23:20.19.22,21:20:16.17.15:23,THB:19:18:15:20.21.22,19:20:15:18.17.23|
25737 OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
25738 CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27|
25739 OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |TLB:25:20:27:24.23.26,25:24:20.21.19:27,THB:23:22:19:24.25.26,23:24:19:22.21.27,(14.72,-2.13,;14.72,-.59,;16.06,.18,;13.39,.18,;13.39,1.72,;12.06,2.49,;10.72,1.72,;9.24,2.11,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-1.14,3.3,;-2.2,4.45,;-3.36,3.57,;-3.92,1.7,;-5.24,1.54,;-4.25,2.53,;-3.76,4.14,;-3.03,1.56,;-2.63,.75,;10.72,.18,;12.06,-.59,)|
25741 OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.39,-4.44,;13.39,-2.9,;14.72,-2.13,;12.06,-2.13,;12.06,-.59,;10.72,.18,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;9.39,-2.13,;10.72,-2.9,)|
25742 Fc1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |(13.37,-2.95,;12.06,-2.13,;10.72,-2.9,;9.39,-2.13,;9.39,-.59,;7.9,-.2,;7.9,1.34,;6.86,2.47,;5.01,1.58,;3.75,1.86,;4.78,.7,;6.61,1.63,;2.42,1.09,;1.08,1.86,;1.08,3.4,;-.25,1.08,;-1.58,1.85,;-2.92,1.08,;-4.25,1.85,;-4.25,3.4,;-5.58,4.17,;-6.92,3.39,;-8.25,4.16,;-8.25,2.62,;-6.92,1.85,;-2.92,4.17,;-1.58,3.4,;10.72,.18,;12.15,-.58,)|
25743 CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1
25744 CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
25745 CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1
25746 Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
25747 CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12
25748 OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
25749 CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
25750 O[C@H](CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1
25751 CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
25752 CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
25753 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
25754 O[C@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1 |r|
25755 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
25756 COCCc1ccc(OCC(O)CNC(C)C)cc1
25758 CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
25759 COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
25760 CC(C)NCC(O)c1ccc2ccccc2c1
25761 CC(C)NCC(O)COc1cccc2ccccc12
25762 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
25763 C[C@H](Cc1ccc2OC(Oc2c1)(C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1 |r|
25764 CC(C)NCC(O)COc1ccccc1CC=C
25765 Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
25766 CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
25767 CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
25768 CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
25769 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
25770 CC(C)(C)NCC(O)c1cc(O)cc(O)c1
25771 OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
25772 O=C(N1CCN(CC1)c1ccccc1)c1ccccc1
25773 Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
25774 Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
25775 Cc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
25776 Cc1cccc(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
25777 Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
25778 Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(Cl)c1
25779 Cc1ccc(cc1C)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
25780 CC(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
25781 CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
25782 CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
25783 Cc1ccc(cc1Cl)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
25784 Fc1ccccc1C(=O)N1CCN(CC1)c1cccc(Cl)c1
25785 Fc1ccc(cc1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
25786 Clc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(Cl)c1
25787 Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
25788 Clc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1ccccc1
25789 O=C(N1CCN(Cc2ccccc2)CC1)c1ccccc1
25790 Clc1cccc(c1)C(=O)N1CCC(Cc2ccccc2)CC1
25791 Fc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1
25792 Cc1ccc(cc1)C(=O)N1CCC(Cc2ccccc2)CC1
25793 Cc1cccc(c1)C(=O)N1CCC(Cc2ccccc2)CC1
25794 Cc1ccc(cc1)C(=O)N1CCN(CC1)C1c2ccccc2-c2ccccc12
25795 O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccccc1
25796 O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1ccc2[nH]ccc2c1
25797 Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccc(F)cc1
25798 Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1
25799 Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccccc1)c1ccc(F)cc1
25800 Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(F)cc1
25801 Fc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
25802 Cc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc(C)cc1)c1ccccc1
25803 Cc1ccc(cc1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
25804 Cc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
25805 Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccc2[nH]ccc2c1)c1ccccc1
25806 C[C@]12CCC3C(CCc4cc(O)ccc34)C1C[C@@H](O)[C@@H]2O |r|
25807 Oc1ccc(cc1)C(=O)c1ccc(O)cc1
25808 Oc1ccc2-c3ccc(O)cc3C(=O)c2c1
25809 CC12CC(=O)C3C(CCc4cc(O)ccc34)C1CCC2=O
25810 CCC(C(=O)Nc1ccncc1)c1ccccc1
25811 O=C(Nc1ccncc1)C1(CCOCC1)c1ccccc1
25812 Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
25813 NCC(=O)N1C2C=CC=CC2Sc2ccccc12 |c:6,8|
25814 COc1ccccc1C(CCN)c1ccco1
25815 CCC1(C)CC(CCN)(CCO1)c1ccc(OC)cc1
25816 O=C(Nc1ccncc1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
25817 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
25818 COc1cc(cc(c1)-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
25819 COc1cc(cc(c1)-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
25820 COc1cc(cc(c1)-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N
25821 COc1cc(cc(c1)-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N
25822 COc1cc(ccc1-c1ccccc1)C(C)C#Cc1c(C)nc(N)nc1N
25823 COc1cc(ccc1-c1ccccc1C)C(C)C#Cc1c(C)nc(N)nc1N
25824 COc1cc(ccc1-c1c(C)cccc1C)C(C)C#Cc1c(C)nc(N)nc1N |(.48,.72,;1.82,1.49,;1.82,3.03,;.49,3.8,;.49,5.34,;1.82,6.11,;3.15,5.34,;3.15,3.8,;4.49,3.03,;4.49,1.49,;3.15,.72,;5.82,.72,;7.15,1.49,;7.15,3.03,;5.82,3.8,;5.82,5.34,;-.85,6.11,;-.85,7.65,;-2.18,5.34,;-3.52,4.57,;-4.85,3.8,;-4.85,2.26,;-3.52,1.49,;-6.18,1.49,;-7.52,2.26,;-8.85,1.49,;-7.52,3.8,;-6.18,4.57,;-6.18,6.11,)|
25825 COc1cc(ccc1-c1c(cccc1C(C)C)C(C)C)C(C)C#Cc1c(C)nc(N)nc1N |(.48,.72,;1.82,1.49,;1.82,3.03,;.49,3.8,;.49,5.34,;1.82,6.11,;3.15,5.34,;3.15,3.8,;4.49,3.03,;5.82,3.8,;7.15,3.03,;7.15,1.49,;5.82,.72,;4.49,1.49,;3.4,.4,;3.4,-1.14,;1.86,.4,;5.82,5.34,;7.15,6.11,;4.49,6.11,;-.85,6.11,;-.85,7.65,;-2.18,5.34,;-3.52,4.57,;-4.85,3.8,;-4.85,2.26,;-3.52,1.49,;-6.18,1.49,;-7.52,2.26,;-8.85,1.49,;-7.52,3.8,;-6.18,4.57,;-6.18,6.11,)|
25826 COc1cc(cc(c1)-c1ccccc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N |r|
25827 COc1cc(cc(c1)-c1ccccc1)[C@H](C)C#Cc1c(C)nc(N)nc1N |r|
25828 Oc1ccc(cc1)-c1ncc(s1)-c1cccc(O)c1
25830 Oc1ccc(cc1)-c1cnc(s1)-c1ccc(O)cc1
25831 Oc1ccc(cc1)-c1cnc(s1)-c1cccc(O)c1
25832 Oc1cccc(c1)-c1cnc(s1)-c1cccc(O)c1
25833 Oc1ccc(cc1)-c1nc(cs1)-c1cccc(O)c1
25834 Oc1ccc(cc1)-c1csc(n1)-c1ccc(O)cc1
25835 Oc1ccc(cc1)-c1csc(n1)-c1cccc(O)c1
25836 Oc1cccc(c1)-c1csc(n1)-c1cccc(O)c1
25837 Oc1cccc(c1)-c1nnc(s1)-c1cccc(O)c1
25838 Oc1ccc(cc1)-c1nsc(n1)-c1cccc(O)c1
25839 Oc1cccc(c1)-c1nsc(n1)-c1cccc(O)c1
25840 Cn1nc(nc1-c1ccc(O)cc1)-c1cccc(O)c1
25841 Cn1nc(nc1-c1ccc(O)cc1)-c1ccc(O)cc1
25842 Cn1nc(nc1-c1cccc(O)c1)-c1ccc(O)cc1
25843 Cn1nc(nc1-c1cccc(O)c1)-c1cccc(O)c1
25844 Oc1cccc(c1)-c1cn(nn1)-c1cccc(O)c1
25845 c1cc(sc1-c1ccccc1)-c1ccccc1
25846 Oc1cccc(c1)-c1cccs1
25847 Oc1cccc(c1)-c1ccc(s1)-c1ccccc1
25848 Oc1ccc(cc1)-c1ccc(s1)-c1ccccc1
25849 Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
25850 Oc1ccc(cc1)-c1ccc(s1)-c1cccc(O)c1
25851 Oc1cccc(c1)-c1ccc(s1)-c1cccc(O)c1
25852 Oc1cccc(c1)-c1cc(cs1)-c1ccccc1
25853 Oc1ccc(cc1)-c1cc(cs1)-c1cccc(O)c1
25854 Oc1ccc(cc1)-c1csc(c1)-c1ccc(O)cc1
25855 Oc1ccc(cc1)-c1csc(c1)-c1cccc(O)c1
25856 Oc1cccc(c1)-c1csc(c1)-c1cccc(O)c1
25857 Oc1ccc(cc1)-c1ccc([se]1)-c1ccc(O)cc1
25858 Oc1cccc(c1)-c1ccc([se]1)-c1cccc(O)c1
25859 Oc1ccc(cc1)-c1ccsc1-c1ccc(O)cc1
25860 Oc1ccc(cc1)-c1ccsc1-c1cccc(O)c1
25861 Oc1ccc(cc1)-c1cccc(c1)-c1cccc(O)c1
25862 Oc1ccc(cc1)-c1cccc(c1)-c1ccc(O)cc1
25863 Oc1cccc(c1)-c1ccc(cc1)-c1cccc(O)c1
25864 Oc1ccc(cc1)-c1ccc(cc1)-c1cccc(O)c1
25865 Oc1cccc(c1)-c1ccc(nc1)-c1cccc(O)c1
25866 Oc1cccc(c1)-c1cnc(cn1)-c1cccc(O)c1
25867 Oc1cccc(c1)-c1nnc(nn1)-c1cccc(O)c1
25869 CC1CN(CCN1CCCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
25870 CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
25871 CC1CN(CCN1CCCCN1C(=O)CCCC1=O)c1ccc2ccccc2n1
25872 CC1CN(CCN1CCCN1C(=O)c2ccccc2C1=O)c1ccc2ccccc2n1
25873 CC1CN(CCN1CCCCN1C(=O)CC2(CCCC2)CC1=O)c1ccc2ccccc2n1
25874 O=C1N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)c2ccccc12
25875 O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ccc2ccccc2n1
25876 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ccc3ccccc3n2)C(=O)C1
25877 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
25878 CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
25879 CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
25880 CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
25881 CCc1ccc-2c(c1)C(=O)N(C)Cc1c(ncn-21)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(CC)ccc-21
25882 CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCOCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
25883 CCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:12|
25884 O=C(OCCOCCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:18,44|
25885 O=C(OCCCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C |t:16,42|
25886 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C=O |r|
25887 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)C(C)C)C=O |r|
25888 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(C)C)C=O |r|
25889 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)o1)C(C)C)C=O |r|
25890 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)s1)C(C)C)C=O |r|
25891 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)[nH]1)C(C)C)C=O |r|
25892 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(C)C)C=O |r|
25893 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C=O)n1C)C(C)C)C=O |r|
25894 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)[nH]1)C(C)C)C=O |r|
25895 COC(=O)c1ccc([nH]1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C=O |r|
25896 NS(=O)(=O)Oc1ccc2C=C(CC3CCCCCC3)S(=O)(=O)c2c1 |t:9|
25897 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F
25898 CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O
25899 CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O
25900 NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc12
25901 CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
25902 NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl
25903 CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
25904 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O
25905 Cc1ccccc1-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN |(-3.28,7.1,;-1.8,7.52,;-1.42,9.01,;.06,9.43,;1.17,8.36,;.79,6.86,;-.69,6.44,;-1.17,4.98,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,;1.28,3.73,;2.05,2.4,;2.05,5.07,;3.59,5.07,)|
25906 Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
25907 Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
25908 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1F)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
25909 NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(F)c1)S(N)(=O)=O
25910 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(F)cc1)S(N)(=O)=O
25911 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Cl)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
25912 NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Cl)c1)S(N)(=O)=O
25913 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Cl)cc1)S(N)(=O)=O
25914 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1Br)S(N)(=O)=O |(3.59,5.07,;2.05,5.07,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;.79,6.86,;1.17,8.36,;.06,9.43,;-1.42,9.01,;-1.8,7.52,;-3.28,7.1,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
25915 NNC(=O)c1[nH]c2ccc(cc2c1-c1cccc(Br)c1)S(N)(=O)=O
25916 NNC(=O)c1[nH]c2ccc(cc2c1-c1ccc(Br)cc1)S(N)(=O)=O
25917 COc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)NN
25918 NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(3.94,3.73,;2.61,4.5,;1.28,3.73,;2.05,2.4,;-.26,3.73,;-1.17,2.49,;-2.63,2.96,;-3.97,2.19,;-5.3,2.96,;-5.3,4.5,;-3.97,5.27,;-2.63,4.5,;-1.17,4.98,;-.69,6.44,;-1.8,7.52,;-3.28,7.1,;-1.42,9.01,;-2.52,10.08,;.06,9.43,;.44,10.92,;1.17,8.36,;2.65,8.78,;.79,6.86,;1.89,5.79,;-6.63,5.27,;-7.97,6.04,;-5.86,6.61,;-7.4,3.94,)|
25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
25920 CNc1nc2cc3ccccc3cc2n2c(C)cnc12
25921 CNCCNc1nc2cc3ccccc3cc2n2c(C)cnc12
25922 Cc1cnc2c(NCCO)nc3cc4ccccc4cc3n12
25923 Cc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12
25924 CNc1nc2cc3ccccc3cc2c2c(C)cnn12
25925 CNc1nc2cc3ccccc3cc2c2n(C)cnc12
25926 Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c12
25927 CNCCNc1nc2cc3ccccc3cc2c2c(C)cnn12
25928 Cc1cnc2c(NCCN)nc3ccsc3n12
25929 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1
25930 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1nccs1
25931 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccoc1
25932 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1c[nH]cn1
25933 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccc[nH]1
25934 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cn[nH]c1
25935 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccn1
25936 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccnc1
25937 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccncc1
25938 COc1ccccc1-c1cc2nc(NCCN)c3ncc(C)n3c2s1
25939 COc1cccc(c1)-c1cc2nc(NCCN)c3ncc(C)n3c2s1
25940 COc1ccc(cc1)-c1cc2nc(NCCN)c3ncc(C)n3c2s1
25941 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1CO
25942 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CO)c1
25943 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccc(CO)cc1
25944 Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CCO)c1
25945 COc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
25946 CNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
25947 Cc1cnc2c(N)nc3cc(sc3n12)-c1ccccc1
25948 CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
25949 CN(C)CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
25950 Cc1cnc2c(NCC(N)=O)nc3cc(sc3n12)-c1ccccc1
25951 Cc1cnc2c(NCCNC=O)nc3cc(sc3n12)-c1ccccc1
25952 CC(=O)NCCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
25953 Cc1cnc2c(NCCN3CCCCC3)nc3cc(sc3n12)-c1ccccc1
25954 Cc1cnc2c(NCCO)nc3cc(sc3n12)-c1ccccc1
25955 CNc1nc2ccsc2n2c(C)cnc12
25956 CNc1nc2cc(C)sc2n2c(C)cnc12
25957 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CN)c1
25958 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNC(C)=O)c1
25959 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNC(N)=O)c1
25960 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNS(N)(=O)=O)c1
25961 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNCC(N)=O)c1
25962 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCN)c1
25963 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(C)=O)c1
25964 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(N)=O)c1
25965 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNS(N)(=O)=O)c1
25966 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNCC(N)=O)c1
25967 CNC(=O)CNCCc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1
25968 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(O)=O
25969 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(N)=O
25970 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CC(N)=O)c1
25971 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCC(O)=O)c1
25972 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCC(N)=O)c1
25973 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CC(N)C(O)=O)c1
25974 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(C[C@@H](N)C(N)=O)c1 |r|
25975 CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(C[C@H](N)C(N)=O)c1 |r|
25976 CNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1
25977 CCNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1
25978 Nc1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCc3ccc(cc3)-c3nc(c([nH]3)-c3ccc(Cl)c(O)c3)-c3ccncc3)c3ccc(=N)cc3oc2c1 |(20.56,-12.19,;21.37,-13.5,;22.91,-13.48,;23.71,-14.78,;23.1,-16.17,;24.02,-17.42,;25.58,-17.36,;26.31,-18.73,;27.83,-18.86,;28.72,-17.6,;28,-16.29,;26.45,-16.1,;26.39,-14.56,;25.44,-13.37,;27.85,-13.92,;30.26,-17.52,;30.99,-16.16,;31.06,-18.84,;30.24,-20.16,;30.99,-21.5,;32.53,-21.48,;33.3,-22.81,;32.51,-24.14,;30.97,-24.15,;30.2,-22.82,;33.27,-25.45,;32.66,-26.91,;33.83,-27.98,;35.18,-27.19,;34.83,-25.64,;36.6,-27.75,;36.82,-29.27,;38.21,-29.9,;39.45,-29,;40.87,-29.61,;39.25,-27.47,;40.49,-26.54,;37.84,-26.84,;33.62,-29.48,;34.82,-30.44,;34.66,-31.96,;33.25,-32.57,;32.02,-31.63,;32.2,-30.1,;23.27,-18.79,;24.02,-20.13,;23.26,-21.47,;21.72,-21.48,;20.95,-22.81,;20.95,-20.14,;21.72,-18.8,;20.85,-17.53,;21.55,-16.16,;20.7,-14.88,)|
25979 COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1N1CCN(C)CC1
25980 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C#N
25981 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
25982 CN1CCN(CC1)c1cccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
25983 COc1ccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1
25984 COc1ccccc1NC(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1
25985 CNC(=O)c1cccc(NC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
25986 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)Nc1ccc(NS(C)(=O)=O)cc1
25987 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1
25988 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccccc1
25989 COc1cccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)c1
25990 COc1ccc(CNC(=O)c2ccc(cc2)-c2cc(ccc2C)-c2nnc(C)o2)cc1
25991 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
25992 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCc1cccc(CN2CCOCC2)c1
25993 CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1
25994 CN(C(=O)c1ccc(cc1)-c1cc(ccc1C)-c1nnc(C)o1)c1cccc(c1)C#N
25995 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(O)=O
25996 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCCCO
25997 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCCN1CCOCC1
25998 Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)N1CCCCC1
25999 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)-c1nnco1
26000 CCc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
26001 CCCc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
26002 CCCCc1nnc(o1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
26003 Cc1nc(no1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
26004 Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ncc[nH]1
26005 Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc(cc1)C(=O)NCC1CC1
26006 Cc1nnc(o1)-c1cccc(c1)-c1ccc(cc1)C(=O)NCC1CC1
26007 Cc1nnc(o1)-c1cccc(c1)-c1ccc(cc1C)C(=O)NCC1CC1
26008 CNC(=O)c1cc(Oc2ccc(Nc3nc4ccc(Cl)cc4[nH]3)cc2)ccn1
26009 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)n(C)c3c2)ccn1
26010 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1
26011 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4Br)[nH]c3c2)ccn1
26012 CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(Br)c4)[nH]c3c2)ccn1
26013 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Br)cc4)[nH]c3c2)ccn1
26014 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)ccn1
26015 CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(F)(F)F)[nH]c3c2)ccn1
26016 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(F)(F)F)[nH]c3c2)ccn1
26017 CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(c4)C(C)(C)C)[nH]c3c2)ccn1
26018 CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(cc4)C(C)(C)C)[nH]c3c2)ccn1
26019 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4)nc3c2)ccn1
26020 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Cl)c(c4)C(F)(F)F)nc3c2)ccn1
26021 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4Br)nc3c2)ccn1
26022 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(Br)c4)nc3c2)ccn1
26023 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
26024 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4C(F)(F)F)nc3c2)ccn1
26025 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(F)(F)F)nc3c2)ccn1
26026 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(F)(F)F)nc3c2)ccn1
26027 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccccc4C(C)(C)C)nc3c2)ccn1
26028 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
26029 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(cc4)C(C)(C)C)nc3c2)ccn1
26030 CNC(=O)c1cc(Oc2ccc3n(C)c(NC4CCCCC4)nc3c2)ccn1
26031 CNC(=O)c1cc(Oc2ccc3n(C)c(NCC4CCCCC4)nc3c2)ccn1
26032 CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)-c4ccncc4)nc3c2)ccn1
26033 CCn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NC)ccc12
26034 Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(N)=O)ccc12
26035 CCNC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
26036 Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCN3CCOCC3)ccc12
26037 Cn1c(Nc2ccc(Br)cc2)nc2cc(Oc3ccnc(c3)C(=O)NCCO)ccc12
26038 CCCC1CCCCN1NC(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
26039 CN(C)C(=O)c1cc(Oc2ccc3n(C)c(Nc4ccc(Br)cc4)nc3c2)ccn1
26040 NCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1
26041 Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
26042 CC(COc1nccc(n1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1)N(C)C
26043 CC(C)(CN)c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
26044 O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)C1CCNCC1
26045 COCCN1CCC(CC1)c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
26046 O=NC1CCc2cc(ccc12)-c1[nH]c(CN2CCOCC2)nc1-c1ccncc1
26047 O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)C(=O)NCCN1CCOCC1
26048 CN(C)Cc1cccc(NC(=O)c2nc(c([nH]2)-c2ccc3C(CCc3c2)N=O)-c2ccncc2)c1
26049 CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
26050 CN(C)CCOc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
26051 CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
26052 CN(C)CCOc1ccc(cc1)-c1cc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1
26053 O=NC1CCc2cc(ccc12)-c1cc(oc1-c1ccncc1)C1CCNCC1
26054 COCCN1CCC(CC1)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
26055 CN(C)CCNC(=O)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
26056 O=NC1CCc2cc(ccc12)-c1cc(CN2CCOCC2)oc1-c1ccncc1
26057 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
26058 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
26059 [O-][N+](=O)c1cnc(Sc2nnnn2-c2ccccc2)s1
26060 Cc1nc(Sc2nnnn2-c2ccccc2)sc1C(O)=O
26061 C(Sc1nnnn1-c1ccccc1)c1ccccc1
26062 [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccc3OCCOc3c2)s1
26064 FC(F)(F)c1cccc2c(-c3ccccc3)n(Cc3ccccc3)nc12
26065 Cc1ccc(Cn2nc3c(cccc3c2-c2ccc(F)cc2)C(F)(F)F)c(C)c1
26066 Fc1ccc(cc1)-c1n(Cc2ccc(F)cc2Cl)nc2c(cccc12)C(F)(F)F
26067 Fc1ccc(cc1)-c1n(Cc2ccccc2F)nc2c(cccc12)C(F)(F)F
26068 Fc1ccc(cc1)-c1n(Cc2ccccc2Cl)nc2c(cccc12)C(F)(F)F
26069 Fc1ccc(Cn2nc3c(cccc3c2-c2ccc(F)cc2)C(F)(F)F)cc1
26070 Fc1ccc(cc1)-c1n(Cc2ccc(Cl)cc2)nc2c(cccc12)C(F)(F)F
26071 Fc1cc(Cl)ccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
26072 Fc1ccc(Cn2nc3c(cccc3c2-c2ccc(Cl)cc2)C(F)(F)F)c(Cl)c1
26073 FC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12
26074 Fc1ccccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
26075 FC(F)(F)c1ccccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
26076 FC(F)(F)c1ccc(Cn2nc3c(cccc3c2-c2ccc(Cl)cc2)C(F)(F)F)cc1
26077 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1ccsc1
26078 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1csc(CO)c1
26079 CCC(O)c1cc(cs1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26080 CC(C)C(O)c1cc(cs1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26081 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1csc(c1)C#N
26082 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(F)c1
26083 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1ccccc1F
26084 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1ccccc1Cl
26085 Cc1ccccc1C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26086 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(O)c1
26087 NC(=O)Nc1sc(cc1C(N)=O)C#CC1CC1
26088 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(N)c1
26089 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2ccccn2)c1
26090 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2cccnc2)c1
26091 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2ccncc2)c1
26092 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)c2ccccc2)c1
26093 CC(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26094 NC(=O)Nc1sc(cc1C(N)=O)C#Cc1cccc(NC(=O)C(F)(F)F)c1
26095 CN(C)CC(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26096 COC(=O)NCCC(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26097 CS(=O)(=O)Nc1cccc(c1)C#Cc1cc(C(N)=O)c(NC(N)=O)s1
26098 NC(=O)c1sc(cc1N)-c1ccsc1
26099 FC(F)(F)c1cccc(c1)-c1ccc(cc1)C1CC(=O)NS1(=O)=O
26101 OC(=O)c1cc(on1)-c1ccc(cc1)-c1cccc(c1)C(F)(F)F
26102 CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1cccc(c1)C(F)(F)F
26103 CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1ccc(F)c(c1)C(F)(F)F
26104 OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
26105 CCN1CCN(Cc2ccc(cc2)-c2cc3c(N[C@H](C)c4ccccc4)ncnc3[nH]2)CC1 |r|
26106 OC(=O)CNC(=O)C(O)=O
26107 OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O |r|
26108 OC(=O)[C@@H](CCc1ccccc1)NC(=O)C(O)=O |r|
26109 CCCC(O)=O
26110 ONC(=O)c1cccc(O)c1
26111 COc1ccc(O)cc1C(=O)NO
26112 ONC(=O)c1cc(O)ccc1Oc1ccccc1
26113 OC(=O)c1ccnc(c1)C(O)=O
26114 OC(=O)c1ccc(nc1)C(O)=O
26115 OC(=O)c1cccnc1C(O)=O
26116 OC(=O)c1cccc(n1)C(O)=O
26117 OC(=O)c1ccncc1C(O)=O
26118 OC(=O)c1cncc(c1)C(O)=O
26119 COC(=O)c1ccnc(c1)-c1cc(ccn1)C(O)=O
26120 OC(=O)c1cc(ncn1)C(O)=O
26121 OC(=O)CCC(O)=O
26122 OC(=O)\C=C\C(O)=O
26123 CCOC(=O)c1cccc(c1)B(O)O
26124 OB(O)c1cccc(c1)C(F)(F)F
26125 OB(O)c1cccc(c1)C#N
26126 OB(O)c1cccc(c1)-c1ccccc1
26127 COc1cccc(c1)B(O)O
26128 OB(O)c1ccc(F)cc1
26129 OB(O)c1ccc(cc1)C(F)(F)F
26130 OB(O)c1ccc(cc1)[N+]([O-])=O
26131 OB(O)c1ccc(cc1)C#N
26132 OB(O)c1ccc(cc1)-c1ccccc1
26133 COc1ccc(cc1)B(O)O
26134 CCCCCCCCCc1ccc(cc1)B(O)O
26135 OB(O)c1ccccc1F
26136 OB(O)c1ccccc1C(F)(F)F
26137 OB(O)c1ccccc1-c1ccccc1
26138 COc1ccccc1B(O)O
26139 OB(O)c1cc2ccccc2s1
26140 OB(O)c1cc2ccccc2o1
26141 OB(O)c1ccc(F)nc1
26142 OB(O)CCc1ccccc1
26143 OB(O)\C=C\c1ccc(cc1)-c1ccccc1
26144 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
26145 Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26146 NC(=O)c1cccc(Nc2nccc(Nc3cccc(O)c3)n2)c1
26147 Cc1cc(O)cc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
26148 Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)cc1O
26149 NC(=O)c1cccc(Nc2nccc(Nc3cc(O)ccc3Br)n2)c1
26150 CC(C)c1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26151 Cc1ccccc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26152 Cc1cc(O)ccc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26153 Cc1cccc(O)c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26154 Cc1ccc(F)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26155 Cc1ccc(Cl)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26156 COc1ccc(C)c(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
26157 Cc1ccc(N)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26158 Cc1ccc(cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1)C(N)=O
26159 CN(C)C(=O)c1ccc(C)c(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
26160 Cc1ccc(NS(C)(=O)=O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26161 Cc1ccc(CN)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26162 COc1cccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
26163 NC(=O)c1cccc(Nc2nccc(Nc3cccc(F)c3)n2)c1
26164 CN(C(C)=O)c1cccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c1
26165 NC(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
26166 Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26167 COc1ccc(C)c(Nc2ccnc(Nc3cccc(c3)S(N)(=O)=O)n2)c1
26168 NS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc(F)cc3F)n2)c1
26169 NC(=O)c1cccc(Nc2nccc(Nc3ccc4ncsc4c3)n2)c1
26170 Cn1cnc2ccc(Nc3ccnc(Nc4cccc(c4)C(N)=O)n3)cc12
26171 NC(=O)c1cccc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
26172 Cn1cnc2cc(Nc3ccnc(Nc4cccc(c4)C(N)=O)n3)ccc12
26173 NC(=O)c1cccc(Nc2nccc(Nc3ccc4nn[nH]c4c3)n2)c1
26174 Cn1ncc2ccc(Nc3ccnc(Nc4cccc(c4)C(N)=O)n3)cc12
26175 NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1
26176 NC(=O)c1cccc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)c1
26177 NC(=O)c1cccc(Nc2nccc(Nc3cccc4cn[nH]c34)n2)c1
26178 Cc1nc2cccc(Nc3ccnc(Nc4cccc(c4)C(N)=O)n3)c2[nH]1
26179 NC(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
26180 Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26181 Cc1cc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c2cn[nH]c2c1
26182 Cc1ccc(Nc2ccnc(Nc3cccc(c3)C(N)=O)n2)c2cn[nH]c12
26183 Cn1ncc2c(Nc3ccnc(Nc4cccc(c4)C(N)=O)n3)cccc12
26184 Cc1ccc2n(C)ncc2c1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
26185 NS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
26186 Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26187 Oc1ccccc1
26188 Oc1ccccc1O
26189 Oc1cccc(O)c1
26190 Oc1ccc(O)cc1
26191 Oc1cc(F)ccc1F
26192 Oc1cc(F)cc(F)c1
26193 OC(=O)c1ccccc1O
26194 OC(=O)c1ccc(O)cc1
26195 Nc1ccc(O)cc1
26196 Oc1ccc(cc1)C#N
26197 CC(=O)Nc1ccc(O)cc1
26198 CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
26199 CN1CCN(CC1)c1ccc(Nc2ncc3[nH]nc(-c4ccccc4)c3n2)cc1
26200 Cc1cc(nn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1
26201 CCC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(O)=O |r|
26202 CN[C@@H](C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(c1)C(=O)NCc1csc(n1)-c1cccs1 |r|
26203 CC[C@H](N)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26204 CC[C@H](N)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26205 CC[C@H](N)C(=O)N[C@H]1[C@@H](CCN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26206 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26207 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
26208 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12 |r|
26209 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26210 C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
26211 C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 |r|
26212 C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26213 CC[C@H](O)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26214 C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26215 CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26216 CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 |r|
26217 CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 |r|
26218 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26219 CC[C@H](NC)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26220 CC[C@H](N1CCCC1)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26221 CC[C@H](N1CCOCC1)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26222 C[C@H](O)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
26223 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 |r|
26224 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12 |r|
26225 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCc2ccccc12 |r|
26226 [H][C@]12CCCC[C@@]1([H])C1=C(CCc3c(nc(N)nc13)N1CCNCC1)O2 |r,t:9|
26229 CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
26230 Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1
26231 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccccc1
26232 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccnc1
26233 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccncc1
26234 COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26235 COc1cccc(c1F)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26236 COc1cc(OC)cc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26237 COc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26238 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(O)c1
26239 COCCOc1cncc(c1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26240 COc1cncc(c1)-c1cc(NC(=O)CN2CCOCC2)nc(n1)-n1nc(C)cc1C
26241 CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
26242 COC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
26243 CCOC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(OC)c1
26244 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cc(ccn1)N1CCOCC1
26245 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cncc(c1)N1CCOCC1
26246 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1ccnc(c1)N1CCOCC1
26247 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCOCC1
26248 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(N)n1
26249 CN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26250 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCC1
26251 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCCC1
26252 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCCOCC1
26253 CN1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26254 COCCN(C)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26255 COC1CN(C1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26256 COC1CCN(CC1)c1cccc(n1)-c1cc(NC(C)=O)nc(n1)-n1nc(C)cc1C
26257 CC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)-c1cccc(n1)N1CCC(O)CC1
26258 [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20|
26259 C[C@](O)(COc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
26260 C[C@](O)(COc1ccc(cc1)C#N)C(=O)Nc1ccc(C#N)c(I)c1 |r|
26261 C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
26262 C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
26263 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
26265 CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12
26266 CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
26267 CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
26269 OC(=O)c1cc(Cl)cc(Cl)c1O
26270 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O
26271 O[C@H]1CCCc2ccccc12
26272 COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26273 COc1cc2c(Nc3cc(CC(=O)Nc4ccccc4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26274 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26275 COc1cc2c(Nc3cc(CC(=O)Nc4ccc(F)cc4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26276 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26277 COc1cc2c(Nc3cc(CC(=O)Nc4cc(F)cc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26278 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(Cl)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26279 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26280 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)[N+]([O-])=O)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26281 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(O)c4)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26282 COc1cccc(NC(=O)Cc2cc(Nc3ncnc4cc(OCCCN5CCC(CO)CC5)c(OC)cc34)[nH]n2)c1
26283 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C(F)(F)F)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1
26284 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
26285 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC[C@H]1CO |r|
26286 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCN(CCO)CC1
26287 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(O)CC1
26288 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN1CCC(CCO)CC1
26289 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
26290 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCNCCO
26291 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2cc1OCCCN(C)CCO
26292 CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
26293 CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)c2cc1OC
26294 CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
26295 CCCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)c2cc1OC
26296 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2cc1OCCCN(CCO)CC(C)C
26297 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
26298 CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1
26299 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)n[nH]3)ncnc2c1 |r|
26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
26301 CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
26302 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1 |r|
26303 COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
26304 CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)c2cc1OC
26305 COc1cc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2cc1OCCCN1CCC[C@@H]1CO |r|
26306 CCN(CCO)CCCOc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC
26307 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)ncnc2c1 |r|
26308 OC[C@H]1CCCN1CCCOc1ccc2c(Nc3cnn(CC(=O)Nc4cccc(F)c4F)c3)ncnc2c1 |r|
26309 FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(CCNc2ncnc3ccsc23)cc1
26310 FC(F)(F)c1cccc(NC(=O)c2ccc(CCNc3ncnc4ccsc34)cc2)c1
26311 FC(F)(F)c1cccc(NC(=O)Nc2ccc(CCNc3ncnc4ccsc34)cc2)c1
26312 FC(F)(F)c1cccc(NC(=O)Nc2cccc(CCNc3ncnc4ccsc34)c2)c1
26313 FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)cn2)c1
26314 FC(F)(F)c1cccc(NC(=O)Nc2cn(CCNc3ncnc4ccsc34)nn2)c1
26315 FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26316 FC(F)(F)c1cccc(NC(=O)Nc2nc(CCNc3ncnc4ccsc34)cs2)c1
26317 FC(F)(F)c1cccc(c1)C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1
26318 FC(F)(F)c1cccc(CC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26319 FC(F)(F)c1cccc(NC(=O)Cc2ncc(CCNc3ncnc4ccsc34)s2)c1
26320 O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
26321 CN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1
26322 Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26323 COc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26324 O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(c1)C#C
26325 Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26326 Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26327 Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1
26328 Clc1ccccc1NC(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1
26329 Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
26330 Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
26331 O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12
26332 O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1
26333 FC(F)(F)c1cc(CN2CCCC2)cc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
26334 O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1
26335 [#6]-[#6]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
26336 CCc1ccc(Cn2c(=O)nc(NCCN)n(Cc3ccc(OC)cc3)c2=O)cc1
26337 [#6]-[#6]-c1ccc(-[#6]-n2c(=O)nc(-[#7]-[#6]-[#6]\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)n(-[#6]-c3ccc(-[#8]-[#6])cc3)c2=O)cc1
26338 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,wD:12.20,4.4,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26339 CC(C)C[C@H](\C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:32.33,wD:11.19,4.4,43.44,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26340 CC(C)C[C@H](CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:32.33,wD:11.19,4.4,43.44,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26341 CC(C)C\C(=C/CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:32.33,wD:11.19,43.44,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26342 CC(C)C\C(=C/[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,6.6,wD:12.20,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26343 CC(C)C\C(=C/[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,wD:12.20,44.45,6.6,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26344 CC(C)C[C@@H](C[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.31,33.34,6.6,wD:12.20,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26345 CC(C)C[C@H](C[C@@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,6.6,wD:12.20,4.31,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26346 CC(C)C[C@@H](C[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:4.31,33.34,wD:12.20,44.45,6.6,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26347 CC(C)C[C@H](C[C@H](O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,wD:12.20,4.31,44.45,6.6,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26348 CC(C)C[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r,wU:33.34,4.4,wD:12.20,44.45,(10.76,-1.42,;10.76,.12,;12.1,.89,;9.43,.89,;9.43,2.43,;8.09,3.2,;6.76,2.43,;6.76,.89,;5.43,3.2,;4.09,2.43,;2.76,3.2,;2.76,4.74,;1.43,2.43,;1.43,.89,;.66,-.45,;-.87,-.66,;-1.45,-2.09,;-.5,-3.3,;1.02,-3.09,;1.6,-1.66,;.09,3.2,;-1.24,2.43,;-1.24,.89,;-2.57,3.2,;-2.57,4.74,;-3.91,5.51,;-5.24,4.74,;-6.58,5.51,;-5.24,3.2,;-3.91,2.43,;10.76,3.2,;10.76,4.74,;12.1,2.43,;13.43,3.2,;13.43,4.74,;12.1,5.51,;12.1,7.05,;10.76,7.82,;10.76,9.36,;12.1,10.13,;9.43,10.13,;14.76,2.43,;14.76,.89,;16.1,3.2,;17.43,2.43,;17.43,.89,;18.76,.12,;18.15,-1.3,;19.3,-2.32,;20.63,-1.53,;22.1,-2,;23.23,-.96,;22.9,.55,;21.43,1.01,;20.3,-.03,;18.76,3.2,;20.1,2.43,;18.76,4.74,)|
26349 CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:83.86,72.75,12.20,29.34,37.50,51.58,59.62,wD:4.4,23.26,(23.93,-21.81,;22.46,-22.29,;22.15,-23.79,;21.33,-21.26,;21.65,-19.76,;20.51,-18.74,;19.04,-19.2,;18.73,-20.72,;17.9,-18.17,;16.44,-18.65,;15.29,-17.62,;15.61,-16.12,;13.83,-18.1,;12.69,-17.06,;13.01,-15.57,;11.86,-14.54,;12.18,-13.03,;13.65,-12.55,;14.79,-13.59,;14.47,-15.08,;13.51,-19.6,;12.05,-20.08,;10.9,-19.05,;11.73,-21.57,;12.87,-22.61,;14.34,-22.12,;10.27,-22.05,;9.94,-23.55,;11.09,-24.58,;8.49,-24.03,;7.34,-23,;7.67,-21.49,;6.52,-20.46,;9.12,-21.02,;8.16,-25.53,;6.7,-26.01,;5.56,-24.98,;6.38,-27.51,;4.92,-27.99,;4.6,-29.49,;5.63,-30.63,;4.86,-31.97,;3.35,-31.65,;2.11,-32.56,;.71,-31.92,;.55,-30.4,;1.79,-29.49,;3.2,-30.12,;7.53,-28.54,;8.98,-28.07,;9.31,-26.56,;10.13,-29.1,;9.81,-30.6,;8.35,-31.08,;8.02,-32.58,;7.2,-30.05,;11.59,-28.62,;12.74,-29.65,;12.42,-31.16,;14.21,-29.18,;14.52,-27.67,;15.34,-30.2,;16.8,-29.73,;17.12,-28.22,;18.58,-27.75,;19.72,-28.77,;21.19,-28.3,;19.41,-30.28,;17.94,-30.75,;23.11,-19.28,;23.42,-17.77,;24.24,-20.31,;25.71,-19.83,;26.03,-18.32,;27.49,-17.85,;27.81,-16.34,;29.28,-15.87,;29.59,-14.36,;28.45,-13.34,;31.06,-13.9,;26.85,-20.86,;26.53,-22.37,;28.32,-20.39,;29.46,-21.42,;30.93,-20.94,;32.07,-21.97,;33.53,-21.49,;34.68,-22.52,;34.35,-24.03,;32.89,-24.5,;31.75,-23.47,;29.14,-22.92,;27.68,-23.4,;30.28,-23.95,)|
26350 Cc1cccc(NC(=S)N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)c1 |r|
26351 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C#N |r,w:10.11|
26352 Cc1c[nH]c2c(cccc12)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C#N |r,w:10.11|
26353 O=C(CN1CCCC[C@H](NC(=Nc2cccc3cc[nH]c23)C(C#N)C#N)C1=O)N1CCCC1 |r,w:11.11|
26354 Clc1c[nH]c2c(cccc12)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)C(C#N)C#N |r,w:10.11|
26355 COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2cc[nH]c12 |r,w:25.27|
26356 COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c[nH]nc12 |r,w:25.27|
26357 COC(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Cl)c[nH]c12 |r,w:25.27|
26358 CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(C)c[nH]c12 |r,w:26.28|
26359 CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Cl)c[nH]c12 |r,w:26.28|
26360 CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(Br)c[nH]c12 |r,w:26.28|
26361 CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(c[nH]c12)C#N |r,w:26.28|
26362 CN(C)C(=O)C(C#N)C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1cccc2c(c[nH]c12)C(N)=O |r,w:26.28|
26363 Cc1c[nH]c2c(cccc12)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
26364 Clc1c[nH]c2c(cccc12)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
26365 Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
26366 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc1
26367 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
26368 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1
26369 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
26370 Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1-c1ccc2nc(N)ncc2c1
26371 Cc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(N)nc1
26372 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
26373 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cncnc1
26374 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCCN2CCOCC2)nc1
26375 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(NCCN2CCOCC2)nc1
26376 CN1CCC(CC1)Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
26377 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(C)=O)ccc3C)cn2)cc1
26378 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cnoc4C)ccc3C)cn2)cc1
26379 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccccc4)ccc3C)cn2)cc1
26380 COc1ccccc1C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
26381 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cc(F)cc(c4)C(F)(F)F)ccc3C)cn2)cc1
26382 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(c4C)C(F)(F)F)ccc3C)cn2)cc1
26383 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3C)cn2)cc1
26384 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc(cc4)C(C)(C)C)ccc3C)cn2)cc1
26385 COc1cc(OC)cc(c1)C(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
26386 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4ccc5OC(F)(F)Oc5c4)ccc3Cl)cn2)cc1
26387 CCc1ccc(NC(=O)c2ccc3OC(F)(F)Oc3c2)cc1C(=O)Nc1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1
26388 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(C)ccc(NC(=O)c4cccc(c4)C(F)(F)F)c3C)cn2)cc1
26389 CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1
26390 CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1
26391 Clc1ccc2[nH]c(cc2c1)C(=O)N1CCNCC1
26392 CN1CCN(CC1)c1nc(N)nc-2c1CCc1ccccc-21
26393 Nc1nc(N2CCNCC2)c2CCc3ccccc3-c2n1
26394 Nc1nc-2c(Cc3ccccc-23)c(n1)N1CCNCC1
26395 Nc1nc(N2CCNCC2)c2CCCc3ccccc3-c2n1
26396 N[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
26397 CN[C@@H]1CCN(C1)c1nc(N)nc-2c1CCCc1ccccc-21 |r|
26398 CNC1CN(C1)c1nc(N)nc-2c1CCCc1ccccc-21
26399 Nc1nc(N2CCNCC2)c2CCCc3ccc(F)cc3-c2n1
26400 Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1
26401 COc1cc(Nc2nc(SC)n3ccnc3c2C(N)=O)cc(OC)c1
26402 COc1cc(Nc2nc(N)n3ccnc3c2C(N)=O)cc(OC)c1
26403 COc1cc(Nc2nc(NCCO)n3ccnc3c2C(N)=O)cc(OC)c1
26404 COc1cc(Nc2nc(NCCN)n3ccnc3c2C(N)=O)cc(OC)c1
26405 COc1cc(Nc2nc(NCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
26406 COc1cc(Nc2nc(N(C)Cc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
26407 COc1cc(Nc2nc(NCCc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1
26408 COc1cc(Nc2nc(N[C@H](C)c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 |r|
26409 COc1cc(Nc2nc(N[C@@H](C)c3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 |r|
26410 COc1cc(Nc2nc(NCc3ccc(F)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
26411 COc1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
26412 COc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)c1
26413 COc1cc(Nc2nc(NCc3ccccc3OC)n3ccnc3c2C(N)=O)cc(OC)c1
26414 COc1cc(Nc2nc(NCc3cc(F)cc(F)c3)n3ccnc3c2C(N)=O)cc(OC)c1
26415 COc1cc(Nc2nc(NCc3ccc(F)cc3F)n3ccnc3c2C(N)=O)cc(OC)c1
26416 COc1cc(Nc2nc(NCc3ccncc3)n3ccnc3c2C(N)=O)cc(OC)c1
26417 COc1cc(Nc2nc(NCc3ccco3)n3ccnc3c2C(N)=O)cc(OC)c1
26418 COc1cc(Nc2nc(NCc3nc4ccccc4[nH]3)n3ccnc3c2C(N)=O)cc(OC)c1
26419 COc1cc(Nc2nc(NCc3ccc(cc3)S(N)(=O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
26420 COc1cc(Nc2nc(NCc3ccc(cc3)S(C)(=O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
26421 COC(=O)c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
26422 COc1cc(Nc2nc(NCc3ccc(cc3)C(O)=O)n3ccnc3c2C(N)=O)cc(OC)c1
26423 COc1cc(Nc2nc(NCc3ccc(cc3)C(N)=O)n3ccnc3c2C(N)=O)cc(OC)c1
26424 COc1cc(Nc2nc(NCc3ccc(CO)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
26425 COc1cc(Nc2nc(NCc3ccc(CC(=O)OC(C)(C)C)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
26426 COc1cc(Nc2nc(NCc3ccc(CC(O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
26427 COc1cc(Nc2nc(NCc3ccc(CC(N)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
26428 CCOC(=O)\C=C\c1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1
26429 COc1cc(Nc2nc(NCc3ccc(\C=C\C(O)=O)cc3)n3ccnc3c2C(N)=O)cc(OC)c1
26430 OC(=O)CC[C@@H](NC(=O)\C=C\c1ccccc1)C(O)=O |r|
26431 N[C@H](CCC(O)=O)C(O)=O
26432 OC(=O)CC[C@@H](NC(=O)C1Oc2ccccc2NC1=O)C(O)=O |r|
26433 OC(=O)CC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(O)=O |r|
26434 OC(=O)CC[C@@H](NC(=O)CCc1cccc(O)c1)C(O)=O |r|
26435 OC(=O)CC[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)C(O)=O |r|
26436 OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Cl)C(O)=O |r|
26437 OC(=O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(O)=O |r|
26438 CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26439 Cc1ccc(cc1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26440 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(O)=O |r|
26441 C[C@@H](CS(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)NS(=O)(=O)c1ccc2ccccc2c1 |r|
26442 COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26443 CCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26444 CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26445 CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26446 CCCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26447 CCOC(=O)COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26448 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCC(O)=O)ccc2c1)C(O)=O |r|
26449 OC(=O)CCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26450 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OC3CCCC3)ccc2c1)C(O)=O |r|
26451 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1)C(O)=O |r|
26452 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCCCc3ccccc3)ccc2c1)C(O)=O |r|
26453 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)C(O)=O |r|
26454 COc1cc(ccc1COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)C#N |r|
26455 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r|
26456 OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2ccc(OCc3ccc(cc3)C#N)cc2c1)C(O)=O |r|
26457 CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NCCCC(O)=O
26458 CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NCC(O)=O
26459 CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)OC)C(=O)OC |r|
26460 CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
26461 CCCCOc1ccc2cc(ccc2c1)C(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26462 CCCCOc1ccc2cc(CN[C@H](CCC(O)=O)C(O)=O)ccc2c1 |r|
26463 CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N(C)[C@H](CCC(O)=O)C(O)=O |r|
26464 CCCCOc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26465 CCCCOc1cccc2c(cccc12)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26466 CCCCOc1ccc(c2ccccc12)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r|
26467 CN(c1ccc2c(C)n[nH]c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26468 CN(c1ccc2c(C)nn(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26469 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26470 CN(c1ccc2c(C)n(Cc3ccccc3)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26471 CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26472 CN(c1ccc2nc(C)n(C)c2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26473 CN(c1ccc2n(C)c(C)nc2c1)c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
26475 Fc1cnc(Nc2cccc(Br)c2)nc1Nc1cccc(Br)c1
26476 Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O
26477 COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
26478 COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC
26479 COc1cc(Nc2nccc(Nc3ccc4c(C)n[nH]c4c3)n2)cc(OC)c1OC
26480 COc1ccc2c(c(CC(O)=O)c(=O)oc2c1)C(F)(F)F
26481 CCCC(=O)c1cc2ccc(OC)cc2oc1=O
26482 CNCc1cc(=O)oc2cc(OC)ccc12
26483 C(Oc1ccc2cccnc2c1)c1ccccc1
26484 Cc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O
26485 CS(=O)(=O)Nc1cccc(Nc2cc(ncn2)-c2ccccc2)c1
26486 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Cl
26487 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
26488 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1F
26489 COc1ccc(Nc2cc(ncn2)-c2ccccc2)cc1NS(C)(=O)=O
26490 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1-c1ccccc1
26491 CS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1CC=C
26492 [O-][N+](=O)c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
26493 Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1Br
26494 CC(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C
26495 CN(c1cc(Nc2cc(ncn2)-c2ccccc2)ccc1C)S(C)(=O)=O
26496 CN(C)c1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
26497 CN(C)c1ccc(cc1)-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1
26498 Cc1ccc(Nc2cc(ncn2)-c2ccccc2C)cc1NS(C)(=O)=O
26499 Cc1ccc(Nc2cc(ncn2)-c2ccc(cc2)-c2ccccc2)cc1NS(C)(=O)=O
26500 Cc1ccc(Nc2cc(ncn2)-c2ccc(CCCO)cc2)cc1NS(C)(=O)=O
26501 Cc1ccc(Nc2cc(ncn2)-c2ccc3OCCOc3c2)cc1NS(C)(=O)=O
26502 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
26503 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
26504 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1 |r|
26505 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1ccccc1)N1CCCCS1(=O)=O |r|
26506 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C |r|
26507 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C)N1CCCCS1(=O)=O |r|
26508 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
26509 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1)N1CCCCS1(=O)=O |r|
26510 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
26511 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)N1CCCCS1(=O)=O |r|
26512 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC |r|
26513 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC)N1CCCCS1(=O)=O |r|
26514 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
26515 COc1cc(ccc1Nc1ncc(C(C)=O)c(NC2CCCC2)n1)N1CCN(C)CC1
26516 CN1CCN(CC1)c1ccc(Nc2ncc(C(C)=O)c(NC3CCCC3)n2)cc1
26517 COc1ccc(OC)c(CC#Cc2cnc(N)nc2N)c1
26518 COc1ccc(OC)c(CC#Cc2c(C)nc(N)nc2N)c1
26519 CCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC
26520 CCCc1nc(N)nc(N)c1C#CCc1cc(OC)ccc1OC
26521 CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1
26522 CCc1nc(N)nc(N)c1C#CCc1cccc(OC)c1OC
26523 CCc1nc(N)nc(N)c1C#CCc1ccccc1
26524 NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)c(F)c2)C[C@@H]1C(=O)NO |r|
26525 NC(=O)[C@@]1(Cc2ccc(OCc3cc(nc4ccccc34)-c3ccccc3)cc2)C[C@@H]1C(=O)NO |r|
26526 C[C@@H](N1CC[C@](C)(C1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
26527 ONC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r|
26528 ONC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1 |r|
26529 ONC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2cccnc2)cc1 |r|
26530 Cc1cc(COc2ccc(cc2)C2C[C@@]3(C[C@@H]3C(=O)NO)C(=O)N2)c2ccccc2n1 |r|
26531 ONC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccncc2)cc1 |r|
26532 ONC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)C(F)(F)F)cc1 |r|
26533 CN1C(C[C@@]2(C[C@@H]2C(=O)NO)C1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r|
26534 OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r|
26535 CN1C(C[C@@]2(C[C@@H]2C(O)=O)C1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r|
26536 OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)cc1 |r|
26537 OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccncc2)cc1 |r|
26538 OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)C(F)(F)F)cc1 |r|
26539 Cc1cc(COc2ccc(cc2)C2C[C@@]3(C[C@@H]3C(O)=O)C(=O)N2)c2ccccc2n1 |r|
26540 OC(=O)[C@H]1C[C@@]11CC(NC1=O)c1ccc(OCc2cc(nc3ccccc23)-c2cccnc2)cc1 |r|
26541 COC(=O)[C@H]1C[C@@]11CC(N(C)C1=O)c1ccc(OCc2cc(nc3ccccc23)-c2ccccc2)c(F)c1 |r|
26542 CC#CCOc1ccc(cc1)S(=O)(=O)N1CC(S)C1
26543 CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1 |r|
26544 CC#CCOc1ccc(cc1)S(=O)(=O)N1CC[C@H](S)C1 |r|
26545 CC#CCOc1ccc(cc1)S(=O)(=O)N1CCCC(S)C1
26546 S[C@@H]1CCN(C1)S(=O)(=O)c1ccc(OCC#CCN2CCCCC2)cc1 |r|
26547 CN1CCN(CC#CCOc2ccc(cc2)S(=O)(=O)N2CC[C@@H](S)C2)CC1 |r|
26548 CC#CCNc1ccc(cc1)S(=O)(=O)N1CC(S)C1
26549 CC#CCNc1ccc(cc1)S(=O)(=O)N1CC[C@@H](S)C1 |r|
26550 CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO
26551 CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCS
26552 CC#CCOc1ccc(cc1)S(=O)(=O)N(C)C[C@H](C)S |r|
26553 CC#CCOc1ccc(cc1)S(=O)(=O)CCS
26554 CC#CCOc1ccc(cc1)S(=O)(=O)CCCS
26555 CC#CCNc1ccc(cc1)S(=O)(=O)CCS
26556 CC#CCNc1ccc(cc1)S(=O)(=O)CCCS
26557 CC#CCOc1ccc(cc1)S(=O)(=O)C1CCC(S)C1
26558 CC#CCOc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1
26559 CC#CCNc1ccc(cc1)S(=O)(=O)C1CCCC(S)C1
26560 Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
26561 Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
26562 Cc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26563 CCc1[nH]c2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26564 Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26565 Cc1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
26566 CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
26567 CC(C)c1oc2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26568 Cc1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26569 CC(C)c1nc2ccccn2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26570 ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C2CC2)cc1 |r|
26571 ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r|
26572 CCc1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26573 CC(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26574 CC(C)(C)c1nn2ccccc2c1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26575 ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1 |r|
26576 OC(=O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(O)=O
26577 OC(=O)CCc1ccc(-c2cccs2)n1CC(O)=O
26578 OC(=O)CCSc1nnc(SCCC(O)=O)s1
26579 Cc1ccc2n(C(O)=O)c3nc(SCc4ccc(CC(O)=O)cc4)nnc3c2c1
26580 OC(=O)c1ccc(Sc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1
26581 OC(=O)CCn1c2ccccc2n(CCC(O)=O)c1=S
26582 OC(=O)Cn1c2ccccc2n(CC(O)=O)c1=O
26583 CC(CSCc1cc(oc1C)C(O)=O)C(O)=O
26584 Cc1cc(C(O)=O)c(CSCc2cc(oc2C)C(O)=O)o1
26585 OC(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
26586 OC(=O)CCCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
26587 CC(Oc1cc(OC(C)C(O)=O)c2c(c1)oc(=O)c1ccccc21)C(O)=O
26588 OC(=O)CC1OC(=O)c2cc3C(CC(O)=O)OC(=O)c3cc12
26589 Cc1nc2ccc(cc2c(O)c1CCC(O)=O)C(O)=O
26590 OC(=O)CSc1cc(nc(SCC(O)=O)n1)-c1ccccc1
26591 Cc1oc(C)c(C(=O)NCC(O)=O)c1C(=O)NCC(O)=O
26592 Cc1oc(C)c(C(O)=O)c1COc1ccccc1C(O)=O
26593 OC(=O)CN1C(=S)S\C(=C\c2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
26594 OC(=O)c1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1C(O)=O
26595 OC(=O)Cn1c(CCCCc2nc3ccccc3n2CC(O)=O)nc2ccccc12
26596 Nc1ncnc2nc(SCCC(O)=O)[nH]c12
26597 Cc1ccc(cc1)-c1ccc(CCC(O)=O)n1CC(O)=O
26598 OC(=O)CCc1ccc(-c2ccc(F)cc2)n1CC(O)=O
26599 OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Sc2ccc(C(O)=O)c(c2)C(O)=O)cc1
26600 OC(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccc(C(O)=O)c(c2)C(O)=O)cc1
26601 OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(O)=O)c2ccccc12
26602 OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c2ccccc12
26603 OC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
26604 OC(=O)CN1C(=O)\C(=C2/SC(=S)N(C2=O)c2ccc(Br)cc2)c2ccccc12
26605 OC(=O)CN1C(=O)\C(=C2/SC(=S)NC2=O)c2ccccc12
26606 Cc1oc(CSCCSCc2cc(C(O)=O)c(C)o2)cc1C(O)=O
26607 Cc1cc(CSCc2cc(C(O)=O)c(C)o2)oc1C(O)=O
26608 Cc1ccc(OCc2ccoc2C(O)=O)cc1C
26609 OC(=O)c1oc2ccccc2c1CSc1ccccn1
26610 Cc1oc(CSCC2CCCO2)cc1C(O)=O
26611 NNC(=O)CS(=O)(=O)Nc1ncccn1
26612 O=C1c2ccccc2-c2cc(c(cc12)N(=O)=O)N(=O)=O
26613 OC(=O)\C=C\c1cccc(c1)[Sb](O)(O)=O
26614 CC1=C\C(C=CC1=O)=C(\c1ccc(O)c(C)c1)c1ccccc1C(O)=O |c:4,t:1|
26615 OC(=O)c1cccc2cccc(-c3cccc4cccc(C(O)=O)c34)c12
26616 Nc1c(cc(cc1S(N)(=O)=O)S(N)(=O)=O)S(N)(=O)=O
26617 OC(=O)c1ccccc1C(=O)c1ccc(C(O)=O)c(c1)C(O)=O
26618 O[Sb](O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
26619 OC1C(O[Sb](O)(O)(O)OC1C(O)=O)C(O)=O
26620 Cc1ccc(cc1)S(=O)(=O)Oc1cc(cc2cc(cc(N)c12)S(O)(=O)=O)S(O)(=O)=O
26621 OC(=O)c1ccc(cc1[N+]([O-])=O)[Sb](O)(O)=O
26622 CCOC(=O)CCCc1ccc(cc1)[Sb](O)(O)=O
26623 Cc1ccc(C=C2SC(O)=NC2=O)cc1 |w:5.4,c:9|
26624 Cc1cccc(C=C2SC(O)=NC2=O)c1 |w:6.5,c:10|
26625 OC1=NC(=O)C(S1)=Cc1ccc(cc1)C(F)(F)F |w:7.8,t:1|
26626 OC1=NC(=O)C(S1)=Cc1cccc(c1)C(F)(F)F |w:7.8,t:1|
26627 FC(F)(F)Oc1ccc(CN2C(=O)S\C(=C/c3cccc(c3)C(F)(F)F)C2=O)cc1
26628 COCOc1c(C=C2SC(O)=NC2=O)cccc1C(F)(F)F |w:6.5,c:10|
26629 COCCOc1c(C=C2SC(O)=NC2=O)cccc1C(F)(F)F |w:7.6,c:11|
26630 CCc1ccc(C=C2SC(O)=NC2=O)cc1 |w:6.5,c:10|
26631 CC(C)c1ccc(C=C2SC(O)=NC2=O)cc1 |w:7.6,c:11|
26632 COc1ccc(C=C2SC(O)=NC2=O)cc1 |w:6.5,c:10|
26633 OC1=NC(=O)C(S1)=Cc1ccc(OC(F)(F)F)cc1 |w:7.8,t:1|
26634 COc1cccc(C=C2SC(O)=NC2=O)c1 |w:7.6,c:11|
26635 OC1=NC(=O)C(S1)=Cc1cccc(OC(F)(F)F)c1 |w:7.8,t:1|
26636 CCOc1ccc(C=C2SC(O)=NC2=O)cc1 |w:7.6,c:11|
26637 OC1=NC(=O)C(S1)=Cc1cccc(OC(F)(F)C(F)F)c1 |w:7.8,t:1|
26638 CCCOc1ccc(C=C2SC(O)=NC2=O)cc1 |w:8.7,c:12|
26639 CN(C)c1ccc(C=C2SC(O)=NC2=O)cc1 |w:7.6,c:11|
26640 OC1=NC(=O)C(S1)=Cc1ccc(F)cc1 |w:7.8,t:1|
26641 Fc1ccc(\C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1
26642 OC1=NC(=O)C(S1)=Cc1cccc(F)c1 |w:7.8,t:1|
26643 OC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1 |w:7.8,t:1|
26644 OC1=NC(=O)C(S1)=Cc1cccc(Cl)c1 |w:7.8,t:1|
26645 OC1=NC(=O)C(S1)=Cc1ccc(Br)cc1 |w:7.8,t:1|
26646 OC1=NC(=O)C(S1)=Cc1cccc(Br)c1 |w:7.8,t:1|
26647 Oc1csc(=O)n1Cc1ccccc1F
26648 Clc1ccc(C=C2N(Cc3ccccc3)C(=O)NC2=O)cc1
26649 COc1ccc(\C=C2\N(Cc3ccccc3)C(=O)NC2=O)cc1
26650 COc1ccc(C=C2N(Cc3ccccc3)C(=O)NC2=O)cc1
26651 CCOc1ccc(C=C2N(Cc3ccccc3)C(=O)NC2=O)cc1
26652 Brc1ccc(\C=C2\N(Cc3ccccc3)C(=O)NC2=O)cc1
26653 CN(C)c1ccc(\C=C2\N(Cc3ccccc3)C(=O)NC2=O)cc1
26654 COc1ccccc1C=C1N(Cc2ccccc2)C(=O)NC1=O
26655 Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
26656 Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
26657 Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1O
26658 Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
26659 Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
26660 Oc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O
26661 Oc1ccc2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
26662 Oc1ccc(c(O)c1)-c1oc2ccc(O)cc2c(=O)c1O
26663 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccccc1 |r|
26664 Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
26665 Oc1ccc(cc1)-c1cc(=O)c2ccc(O)c(O)c2o1
26666 Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c1ccccc1 |r|
26667 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 |r|
26668 FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCCCC3)nn12
26669 Nc1nccc(n1)-c1ccc2noc(-c3ccc(Cl)cc3)c2c1
26670 OC(=O)c1cccc2c(c([nH]c12)-c1ccccc1)-c1ccccc1
26671 OC(=O)c1cccc(Nc2nc(cs2)-c2ccc(O)cc2O)c1
26672 Cc1ccc2[nH]c(=O)c(CC(O)=O)c(-c3ccccc3)c2c1
26673 Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
26674 Cc1ccc(O)c(c1)-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1
26675 Cc1ccc(O)c(c1)-c1cc([nH]c(=O)c1C#N)-c1ccccc1
26676 Oc1ccc(cc1)-c1cc([nH]c(=O)c1C#N)-c1ccccc1O
26677 CCc1ccc(O)c(c1)-c1cc(-c2cccc(Cl)c2)c(C#N)c(=O)[nH]1
26678 COc1ccc(cc1Br)-c1cc(c(C#N)c(=O)[nH]1)C(F)(F)F
26679 O=c1[nH]c(cc(-c2cccs2)c1C#N)-c1cccs1
26680 FC(F)(F)c1cc(-c2cccs2)c(C#N)c(=O)[nH]1
26681 FC(F)(F)c1cc([nH]c(=O)c1C#N)-c1ccco1
26682 Nc1nc(cc(-c2ccccc2)c1C#N)-c1ccc(O)cc1
26683 Nc1n[nH]c2nc(cc(-c3ccccc3)c12)-c1cc(Br)ccc1O
26684 O=c1[nH]c-2c(COc3ccccc-23)c(-c2cccs2)c1C#N
26685 O=c1[nH]c-2c(COc3ccccc-23)c(-c2ccco2)c1C#N
26686 Clc1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N
26687 Clc1ccccc1-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N |(1.13,.04,;2.47,.81,;3.8,.03,;5.14,.81,;5.14,2.35,;3.8,3.12,;2.47,2.35,;1.13,3.12,;-.2,2.35,;-.2,.8,;-1.53,.03,;-2.87,.8,;-4.2,.03,;-5.53,.8,;-5.53,2.35,;-4.2,3.12,;-2.87,2.35,;-1.53,3.12,;-1.53,4.66,;-.2,5.43,;-.2,6.97,;1.13,4.66,;2.47,5.43,;3.8,6.2,)|
26688 COc1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N
26689 O=c1[nH]c-2c(COc3ccccc-23)c(-c2ccncc2)c1C#N
26690 O=c1[nH]c-2c(COc3ccccc-23)c(-c2ccccn2)c1C#N
26691 O=c1[nH]c-2c(CSc3ccccc-23)c(-c2cccs2)c1C#N
26692 O=c1[nH]c-2c(CSc3ccccc-23)c(-c2cccnc2)c1C#N
26693 Clc1ccccc1-c1c2CSc3ccccc3-c2[nH]c(=O)c1C#N |(3.8,4.66,;3.8,3.12,;5.14,2.35,;5.14,.81,;3.8,.03,;2.47,.81,;2.47,2.35,;1.13,3.12,;-.2,2.35,;-.2,.8,;-1.53,.03,;-2.87,.8,;-4.2,.03,;-5.53,.8,;-5.53,2.35,;-4.2,3.12,;-2.87,2.35,;-1.53,3.12,;-1.53,4.66,;-.2,5.43,;-.2,6.97,;1.13,4.66,;2.47,5.43,;3.8,6.2,)|
26694 Fc1ccc(cc1)-c1c2CSc3ccccc3-c2[nH]c(=O)c1C#N
26695 O=c1[nH]c-2c(CCc3ccccc-23)c(-c2ccncc2)c1C#N
26696 CCOC(=O)C1=C2C(N(C)C(=O)C1)c1ccccc1OC2=O |t:5|
26697 CCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12
26698 CC(C)n1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12
26699 CCCCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12
26700 Oc1c2c(noc2=O)n(Cc2ccccc2)c2cc(Cl)c(F)cc12
26701 CCn1c2n(C)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12
26702 CCn1c2n(Cc3ccccc3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12
26703 CCn1c2n(Cc3cccc(O)c3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12
26704 CCn1c2n(CCOCc3ccccc3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12
26705 CCn1c2n(CCO)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12
26706 CCn1c2noc(=O)c2c(O)c2cc(OC)c(Cl)cc12
26707 CCn1c2noc(=O)c2c(O)c2cc(O)c(Cl)cc12
26708 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26709 CCS(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
26710 CC(C)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
26711 CN(C)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
26712 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
26713 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
26714 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2Cl)cc1
26715 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc(Cl)c2)cc1
26716 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
26717 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1
26718 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccs2)cc1
26719 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CN(C2)S(=O)(=O)c2cccs2)cc1
26720 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(C2)S(=O)(=O)c2cccs2)cc1
26721 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CC2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26722 Cc1ccc2nc(sc2c1)-c1ccc(NCC2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26723 O=C(Nc1ccc(cc1)-c1nccs1)C1CCN(CC1)S(=O)(=O)c1cccs1
26724 O=C(Nc1ccc(cc1)-c1ccc2ccccc2n1)C1CCN(CC1)S(=O)(=O)c1cccs1
26725 O=C(Nc1ccc(cc1)-c1cnc2ccccc2n1)C1CCN(CC1)S(=O)(=O)c1cccs1
26726 Cc1ccc2nc(oc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26727 Cc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26728 O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)C1CCN(CC1)S(=O)(=O)c1cccs1
26729 Clc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26730 COc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26731 Cc1cccc2sc(nc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26732 COc1cccc2sc(nc12)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26733 COc1cccc(c1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26734 COc1ccc(cc1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26735 Clc1ccc(cc1)-c1csc(n1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
26736 CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
26737 CCOP(F)(=O)CCOCCOCCOCCOC(=O)NCCCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C |(28.8,3.82,;28.03,5.15,;26.49,5.15,;25.72,6.49,;27.2,6.89,;24.95,7.82,;24.38,5.72,;23.05,6.49,;21.72,5.72,;20.38,6.49,;19.05,5.72,;17.71,6.49,;16.38,5.72,;15.05,6.49,;13.71,5.72,;12.38,6.49,;11.05,5.72,;9.71,6.49,;8.38,5.72,;8.38,4.18,;7.04,6.49,;5.71,5.72,;4.38,6.49,;3.04,5.72,;1.71,6.49,;.38,5.72,;-.96,6.49,;-2.29,5.72,;-3.62,6.49,;-2.29,4.18,;-.96,3.41,;-.96,1.87,;-2.29,1.1,;-3.62,1.87,;-3.62,3.41,;-5.11,1.47,;-6.2,2.56,;-5.51,-.02,;-2.29,-.44,;-.96,-1.21,;.38,-.44,;1.71,-1.21,;1.71,-2.75,;.38,-3.52,;-.96,-2.75,;-2.29,-3.52,;-3.62,-2.75,;-4.96,-3.52,;-6.29,-2.75,;-6.29,-1.21,;-4.96,-.44,;-3.62,-1.21,;-7.63,-3.52,;-7.63,-5.06,;-8.96,-2.75,;3.04,-3.52,;4.38,-2.75,;3.04,-5.06,)|
26739 NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
26740 O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1
26741 O=C(Nc1ccccc1)N1CCN(Cc2ccc3ccccc3n2)CC1
26742 COC(=O)COc1ccc(cc1)-n1cnc(c1-c1ccccc1)-c1ccccc1
26743 CCOC(=O)CCCOc1ccc(cc1)-n1cnc(c1-c1ccccc1)-c1ccccc1
26744 CCOC(=O)CCCCOc1ccc(cc1)-n1cnc(c1-c1ccccc1)-c1ccccc1
26745 COC(=O)COc1cccc(c1)-n1cnc(c1-c1ccccc1)-c1ccccc1
26746 CCOC(=O)CCCOc1cccc(c1)-n1cnc(c1-c1ccccc1)-c1ccccc1
26747 CCOC(=O)CCCCCn1c(CC)nc(c1-c1ccccc1)-c1ccccc1
26748 CCOC(=O)CCCCCCn1c(CC)nc(c1-c1ccccc1)-c1ccccc1
26749 CCOC(=O)CCCCCCCn1c(CC)nc(c1-c1ccccc1)-c1ccccc1
26750 CCOC(=O)C(C)CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1
26751 CCOC(=O)C(CC)CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1
26752 CCOC(=O)C(CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)C(C)C
26753 CNC(=O)CCCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1
26754 CN(C)C(=O)CCCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1
26755 CNC(=O)NCCCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1
26756 Cc1nc(c(-c2ccccc2)n1CCCCCCNC(=O)Nc1ccccc1)-c1ccccc1
26757 Cc1nc(c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1)-c1ccccc1
26758 Cc1nc(c(-c2ccccc2)n1CCCCCCNC(=O)Oc1ccccc1F)-c1ccccc1
26759 CC(CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)NC(=O)Oc1ccccc1F
26760 CCC(CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)NC(=O)Oc1ccccc1F
26761 CC(C)C(CCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)NC(=O)Oc1ccccc1F
26762 Cc1nc(c(-c2ccccc2)n1CCCCCC(NC(=O)Oc1ccccc1F)c1ccccc1)-c1ccccc1
26763 CCN(CCCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)C(=O)Oc1ccccc1F
26764 CCCN(CCCCCCn1c(C)nc(c1-c1ccccc1)-c1ccccc1)C(=O)Oc1ccccc1F
26765 CCOC(=O)CCCCCCn1c(C)nc(c1-c1ccc(F)cc1)-c1ccc(F)cc1
26766 Cc1nc(c(-c2ccc(F)cc2)n1CCCCCCNC(=O)Oc1ccccc1F)-c1ccc(F)cc1
26767 Cc1nc(c(-c2ccc(F)cc2)n1CCCCCCNC(=O)Oc1c(F)cccc1F)-c1ccc(F)cc1
26768 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
26769 CCOc1cc(cc(c1)C1=C(C)CCC1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:10|
26770 CCOc1cc(cc(c1)-c1ccccc1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
26771 CCOc1cc(cc(c1)-c1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
26772 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCS1(=O)=O |r|
26773 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
26774 CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
26775 CC(C)Nc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
26776 CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O |r|
26777 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC(F)(F)F)c1)N1CCCCS1(=O)=O |r|
26778 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc12)N1CCCCS1(=O)=O |r|
26779 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCc2ccc(OC)cc12)N1CCCCS1(=O)=O |r|
26780 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1)N1CCCCS1(=O)=O |r|
26781 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
26782 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
26783 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccco1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
26784 CCNc1cc(cc(c1)C(=O)N[C@@H](Cn1cccn1)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
26785 CCNc1cc(cc(c1)C(=O)N[C@@H](CC(C)C)[C@H](O)CNCc1cccc(OC)c1)N1CCCCS1(=O)=O |r|
26786 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
26787 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cnn(CC)c1 |r|
26788 CCNc1cc(N2CCCCS2(=O)=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
26789 CSc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C |r|
26790 CSc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
26791 Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C |r|
26792 Cc1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
26793 CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(C[C@@H]1C(=O)NO)C(=O)OC(C)(C)C |r|
26794 CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CNC[C@@H]1C(=O)NO |r|
26795 CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NO |r|
26796 ONC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C2CC2)cc1 |r|
26797 CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
26798 CC(C)(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CN(CC#C)C[C@@H]1C(=O)NO |r|
26799 CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1C[C@@]2(CCCO2)C[C@@H]1C(=O)NO |r|
26800 ONC(=O)[C@H]1C[C@]2(CCCO2)C[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C2CC2)cc1 |r|
26801 CC(C)(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1C[C@@]2(CCCO2)C[C@@H]1C(=O)NO |r|
26802 CC(C)(F)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1C[C@@]2(CCCO2)C[C@@H]1C(=O)NO |r|
26803 CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26804 CC(C)(F)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26805 CC(F)(F)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO |r|
26806 ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1 |r|
26807 ONC(=O)[C@H]1COC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1 |r|
26808 Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(C[C@@H]2C(=O)NO)OCCO3)c2ccccc2n1 |r|
26809 Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1 |r|
26810 Cc1cc(COc2ccc(cc2)C(=O)N[C@@H]2C[C@]3(CCCO3)C[C@@H]2C(=O)NO)c2ccccc2n1 |r|
26811 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccccc3)nc2c1
26812 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)cc3)nc2c1
26813 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
26814 COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
26815 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)cc3)nc2c1
26816 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)-c3ccccc3)nc2c1
26817 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc(c3)-c3ccccc3)nc2c1
26818 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccc4ccccc34)nc2c1
26819 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc4ccccc4c3)nc2c1
26820 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cccs3)nc2c1
26821 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccsc3)nc2c1
26822 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cscn3)nc2c1
26823 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cncs3)nc2c1
26824 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ncco3)nc2c1
26825 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cocn3)nc2c1
26826 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1
26827 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccno3)nc2c1
26828 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Cl)s3)nc2c1
26829 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Br)s3)nc2c1
26830 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C#N)nc2c1
26831 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=O)s3)nc2c1
26832 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=O)nc2c1
26833 CC(C)C(=O)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
26834 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(=O)c3ccccc3)nc2c1
26835 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(Oc4ccccc4)s3)nc2c1
26836 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(OCc4ccccc4)s3)nc2c1
26837 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccccc3)nc2c1
26838 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccccn3)nc2c1
26839 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cccnc3)nc2c1
26840 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccncc3)nc2c1
26841 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ncco3)nc2c1
26842 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cocn3)nc2c1
26843 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnco3)nc2c1
26844 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnc(C)o3)nc2c1
26845 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3nccs3)nc2c1
26846 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3csc(N)n3)nc2c1
26847 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cn[nH]c3)nc2c1
26848 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cnccn3)nc2c1
26849 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCC3)nc2c1
26850 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCCCC3)nc2c1
26851 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCNCC3)nc2c1
26852 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)N3CCOCC3)nc2c1
26853 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(c3)C#N)nc2c1
26854 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccnc(F)c3)nc2c1
26855 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(nc3)C#N)nc2c1
26856 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3ccc(F)nc3)nc2c1
26857 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)-c3cncc(c3)C#N)nc2c1
26858 CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H](N)Cc3ccc(cc3)C(=O)c3ccccc3)c2)c2cncnc12 |r|
26859 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=C)s3)nc2c1
26860 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=CC#N)s3)nc2c1 |w:28.28|
26861 COC(=O)C=Cc1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:5.5|
26862 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccccc4)s3)nc2c1
26863 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccccn4)s3)nc2c1 |w:28.28|
26864 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccnc4)s3)nc2c1 |w:28.28|
26865 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccncc4)s3)nc2c1 |w:28.28|
26866 COc1ccccc1\C=C\c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
26867 COc1cccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)c1
26868 COc1ccc(\C=C\c2ccc(s2)C(=O)Nc2nc3cc(ccc3n2CCC(N)=O)N(C)C(=O)c2ccccc2)cc1
26869 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccccc4C(F)(F)F)s3)nc2c1
26870 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4cccc(c4)C(F)(F)F)s3)nc2c1
26871 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(cc4)C(F)(F)F)s3)nc2c1
26872 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ccccc4N)s3)nc2c1 |w:28.28|
26873 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(N)c4)s3)nc2c1 |w:28.28|
26874 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(N)cc4)s3)nc2c1
26875 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(c4)[N+]([O-])=O)s3)nc2c1 |w:28.28|
26876 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\c4ccc(O)cc4)s3)nc2c1
26877 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cnccn4)s3)nc2c1 |w:28.28|
26878 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(\C=C\n4ccnc4)s3)nc2c1
26879 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cn[nH]c4)s3)nc2c1 |w:28.28|
26880 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4cccc(N)n4)s3)nc2c1 |w:28.28|
26881 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(C=Cc4ncc(N)cn4)s3)nc2c1 |w:28.28|
26882 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=C)nc2c1
26883 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=CC#N)nc2c1 |w:31.33|
26884 COC(=O)C=C(C)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1 |w:4.3|
26885 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(\C)=C\c3ccccc3)nc2c1
26886 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3cccnc3)nc2c1 |w:31.33|
26887 CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(s3)C(C)=Cc3ccncc3)nc2c1 |w:31.33|
26888 O=C1NCN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
26889 CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
26890 CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
26891 CCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
26892 CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
26893 CC(C)N1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
26894 O=C1N(CC2CC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
26895 O=C1N(CC2CCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
26896 O=C1N(CC2CCCCC2)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
26897 O=C1N(CC#C)CN(c2ccccc2)C11CCN(CC1)C(c1ccccc1)c1ccccc1
26898 C=CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O
26899 CCCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26900 CC(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26901 COC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26902 OCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26903 COCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26904 NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26905 CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26906 CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26907 CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26908 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
26909 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
26910 CN(C)CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26911 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNC1CC1)C2=O)c1ccccc1)c1ccccc1Cl
26912 CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O)C(C)C
26913 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26914 CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)C1=O
26915 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCNCC1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
26916 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
26917 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCCN1CCCC1)C2=O)c1ccccc1)c1ccccc1Cl
26918 Clc1ccccc1C(N1CCC2(CC1)N(CN(CCN1CCCCC1)C2=O)c1ccccc1)c1ccccc1Cl
26919 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
26920 CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26921 CCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26922 CC(C)NCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26923 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNCC1CC1)C2=O)c1ccccc1
26924 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCNC1CCC1)C2=O)c1ccccc1
26925 CCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26926 CC(C)CNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26927 CCCCNCCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26928 CCN(CC)CCN1CN(c2ccccc2)C2(CCN(Cc3c(Cl)cccc3Cl)CC2)C1=O
26929 Clc1cccc(Cl)c1CN1CCC2(CC1)N(CN(CCN1CCCC1)C2=O)c1ccccc1
26930 CCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26931 CC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26932 CC1(C)CCC(N2CCC3(CC2)N(CN(CCO)C3=O)c2ccccc2)c2ccccc12
26933 CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26934 CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26935 CC(C)NCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26936 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCC2)C3=O)c2ccccc2)c2ccccc12
26937 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
26938 CCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26939 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC=C)C3=O)c2ccccc2)c2ccccc12
26940 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNC2CCC2)C3=O)c2ccccc2)c2ccccc12
26941 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CC2)C3=O)c2ccccc2)c2ccccc12
26942 CC(C)CNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26943 CC(C)N(CCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O)C(C)C
26944 CC1(C)CCC(N2CCC3(CC2)N(CN(CCN2CCCC2)C3=O)c2ccccc2)c2ccccc12
26945 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26946 CC(C)CCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3ccccc23)C1=O
26947 CC1(C)CCC(N2CCC3(CC2)N(CNC3=O)c2ccccc2)c2ccccc12
26948 Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
26949 Clc1ccccc1C(N1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccccc1Cl
26950 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCC2CCCCC2)C3=O)c2ccccc2)c2ccccc12
26951 CC1(C)CCC(N2CCC3(CC2)N(CN(CCNCc2ccccc2)C3=O)c2ccccc2)c2ccccc12
26952 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3ccc(Cl)cc23)C1=O
26953 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCCc3c(Cl)cccc23)C1=O
26954 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)ccc23)C1=O
26955 CCCCNCCN1CN(c2ccccc2)C2(CCN(CC2)C2CCC(C)(C)c3cc(Cl)c(Cl)cc23)C1=O
26956 NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2cc3ccccc3cc12
26958 NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccccc12
26959 Cc1cccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c12
26960 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1
26961 Cc1ccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc2c1
26962 Cc1cccc2c(NCCCCCCN)nc(\C=C\c3ccc(Cl)cc3)nc12
26963 CC(C)(C)c1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCCCN)c2c1
26964 NCCCCCCNc1nc(\C=C\c2ccc(Cl)cc2)nc2ccc(Cl)cc12
26965 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCCCN)c2c1
26966 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(NCCN)c2c1
26967 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@@H]3N)c2c1 |r|
26968 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3N)c2c1 |r|
26969 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@@H]3CC[C@H](N)CC3)c2c1 |r,wD:19.19,22.23,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;1,8.48,;2.29,9.32,;3.66,8.61,;4.96,9.45,;3.74,7.08,;2.45,6.24,;-1.59,3.86,;-2.92,4.63,)|
26970 Cc1ccc2nc(\C=C\c3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:22.23,wD:19.19,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.45,6.24,;3.74,7.08,;3.66,8.61,;4.96,9.45,;2.29,9.32,;1,8.48,;-1.59,3.86,;-2.92,4.63,)|
26971 [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6|
26972 [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2c1 |w:7.6|
26973 [#6]-c1ccc2nc(-[#6]=[#6]-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](\[#7])-[#7])c2c1 |r,w:7.6|
26974 Cc1ccc2nc(C=Cc3ccc(Cl)cc3)nc(N[C@H]3CC[C@H](CC3)N=C(N)N)c2c1 |r,w:7.6,wD:19.19,22.26,(-5.59,4.63,;-4.26,3.86,;-4.26,2.32,;-2.92,1.55,;-1.59,2.32,;-.26,1.55,;1.08,2.32,;2.41,1.55,;3.74,2.32,;5.08,1.55,;5.13,.01,;6.49,-.71,;7.8,.1,;9.16,-.62,;7.74,1.64,;6.38,2.37,;1.08,3.86,;-.26,4.63,;-.26,6.17,;1.08,6.94,;2.41,6.17,;3.74,6.94,;3.74,8.48,;2.41,9.25,;1.08,8.48,;5.08,9.25,;6.41,8.48,;6.41,6.94,;7.74,9.25,;-1.59,3.86,;-2.92,4.63,)|
26975 [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3\[#7]=[#6](/[#7])-[#7])c2c1
26976 [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
26977 [#6]-c1ccc2nc(-[#7]-[#6](=O)-c3ccc(Cl)cc3)nc(-[#7]-[#6@@H]-3-[#6]-[#6]-[#6]-[#6]-[#6@@H]-3\[#7]=[#6](/[#7])-[#7])c2c1 |r|
26978 [F-]
26979 [Cl-]
26980 [Br-]
26981 [I-]
26982 [N-]=C=O
26983 [N-]=C=S
26984 [C-]#N
26985 [N-]=[N+]=[N-]
26986 OC([O-])=O
26987 [O-]C([O-])=O
26988 [O-][N+]([O-])=O
26989 [O-]N=O
26990 [SH-]
26991 OS([O-])=O
26992 [O-]S([O-])(=O)=O
26993 F[B-](F)(F)F
26994 NS(O)(=O)=O
26995 NS(N)(=O)=O
26996 OB(O)c1ccccc1
26997 O[As](O)(=O)c1ccccc1
26998 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
26999 NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
27000 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCC\C=C\CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1 |r,t:20|
27001 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1 |r|
27002 CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)NC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C)c1ccccc1 |r|
27003 CC(C)(C)OC(=O)N[C@H]1CCCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC(=O)NCc1ccccc1 |r|
27004 CC(C)(C)NC(=O)C(=O)[C@@H]1CCCCCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C |r|
27005 CC(C)(C)OC(=O)N[C@H]1CCCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O |r|
27006 CC(C)(C)NC(=O)N[C@H]1CCCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O |r|
27007 CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCCCC[C@H](NC(=O)NC1(C)CCCCC1)C3=O)C(=O)C(N)=O |r|
27008 CC(C)(C)OC(=O)[C@@H](NC(=O)N[C@H]1CCCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O)C(C)(C)C |r|
27009 CC(C)(C)OC(=O)N[C@@H](CCCCC=C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CCCCC=C)C(=O)C(N)=O)C2(C)C |r|
27010 CC(C)(C)OC(=O)N[C@H]1CCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O |r|
27011 CC(C)(C)OC(=O)N[C@H]1CCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O |r|
27012 CC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O |r|
27013 CC(C)[C@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O)C(=O)C1CC1 |r|
27014 CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCCC[C@H](NC(=O)N[C@@H](C1CCCCC1)C(=O)C1CC1)C3=O)C(=O)C(N)=O |r|
27015 CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O)C(C)(C)C)S(C)(=O)=O |r|
27016 CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(N)=O)C(C)(C)C)S(=O)(=O)c1cccs1 |r|
27017 CCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C |r|
27018 CCCNC(=O)C(=O)[C@@H]1CCCCCCCCC[C@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c2cccs2)C(C)(C)C)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N1)C3(C)C |r|
27019 CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC1CC1)C(C)(C)C)S(=O)(=O)c1cccs1 |r|
27020 CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)S(=O)(=O)c1cccs1 |r|
27021 CC(C)[C@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(=O)C1CC1 |r|
27022 CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCCC[C@H](NC(=O)N[C@@H](C1CCCCC1)C(=O)C1CC1)C3=O)C(=O)C(=O)NCC=C |r|
27023 CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)S(C)(=O)=O |r|
27024 CN(C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)S(=O)(=O)c1ccccn1 |r|
27025 CC(C)(C)[C@@H](CN1Cc2sccc2S1(=O)=O)NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27026 CN(C)S(=O)(=O)N(C)C[C@@H](NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C |r|
27027 CC(C)(C)[C@@H](CN1C(=O)c2ccccc2C1=O)NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27028 CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27029 CN1CC(=O)N(C[C@@H](NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)C(=O)C1 |r|
27030 CC(C)(C)[C@@H](CN1C(=O)C2CCC(C2)C1=O)NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r,TLB:15:14:10.11:13,THB:8:7:10.11:13,5:6:10.11:13|
27031 CC(C)(C)[C@@H](CN1CCC(C)(C)CC1=O)NC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27032 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27033 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27034 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCCS1(=O)=O)C1CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27035 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCNS1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27036 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1CCCN(C)S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27037 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27038 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CN3Cc4sccc4S3(=O)=O)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27039 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27040 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C1CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27041 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1C(=O)c3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27042 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r|
27043 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r|
27044 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r|
27045 CCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C1(C)CCCCC1)C2(C)C)C(=O)C(=O)NCC=C |r|
27046 CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r|
27047 CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r|
27048 CC(C)(C)[C@@H](CN1Cc2ccccc2S1(=O)=O)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CCC#C)C(=O)C(=O)NCC=C)C2(C)C)C(C)(C)C |r|
27049 CCCCC(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN1Cc3ccccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)C(=O)C(=O)NCC=C |r|
27050 CC(C)(C)OC(=O)N[C@H]1CS(=O)(=O)CCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NC1CC1 |r|
27051 CC(C)(C)OC(=O)N[C@H]1CCCOC(=O)NCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27052 CC(C)(C)OC(=O)N[C@H]1CCC(=O)CCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27053 CC(C)(C)OC(=O)N[C@@H]1C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CCCCCCCCCC1(C)C)C(=O)C(N)=O)C3(C)C |r|
27054 CC(C)(C)OC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27055 CC(C)(C)OC(=O)N[C@H]1CCCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27056 CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCOC[C@H](NC=O)C3=O)C(=O)C(=O)NCC=C |r|
27057 CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCOC[C@H](NC(=O)N[C@@H](C1CCCCC1)C(=O)C1CC1)C3=O)C(=O)C(=O)NCC=C |r|
27058 CC(C)(C)[C@@H](CN1CCCCC1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27059 CC(C)(C)[C@@H](CN1CCC(C)(C)CC1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27060 CCS(=O)(=O)N(C)C[C@@H](NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C |r|
27061 CN(C[C@@H](NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)S(=O)(=O)c1cccs1 |r|
27062 CN1CC(=O)N(C[C@@H](NC(=O)N[C@H]2COCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)C(=O)C(=O)NCC=C)C(C)(C)C)C(=O)C1 |r|
27063 CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r|
27064 CC(C)(C)[C@@H](CN1C(=O)C2CCC(C2)C1=O)NC(=O)N[C@H]1COCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C1=O)C3(C)C)C(=O)C(=O)NCC=C |r,TLB:15:14:10.11:13,THB:8:7:10.11:13,5:6:10.11:13|
27065 C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1CCC(C)(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C |r|
27066 C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CN(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C |r|
27067 C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)CC(C)(C)CC1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C |r|
27068 C[C@@H]1OCCCCCCC[C@H](NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@H]1NC(=O)N[C@H](CN1C(=O)C2CCC(C2)C1=O)C(C)(C)C)C3(C)C)C(=O)C(=O)NCC=C |r,TLB:37:36:32.33:35,THB:30:29:32.33:35,27:28:32.33:35|
27069 CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |r|
27070 CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H](C1C(=O)N[C@@H](CC1CCC1)B1O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O1)C2(C)C)C(C)(C)C |r|
27071 CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |r|
27072 CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)B1O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O1)C2(C)C)C(C)(C)C)C(C)(C)C)S(C)(=O)=O |r|
27073 CC[C@H](NC(=O)C1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |r|
27074 CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H](C1C(=O)N[C@@H](CC1CCC1)B(O)O)C2(C)C)C(C)(C)C |r|
27075 CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(C)(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C)B(O)O |r|
27076 CN(C[C@@H](NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)B(O)O)C2(C)C)C(C)(C)C)C(C)(C)C)S(C)(=O)=O |r|
27077 CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
27078 O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
27079 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
27080 Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
27081 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
27082 Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
27083 Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
27084 O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
27085 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
27086 O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
27087 O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
27088 NC(=O)c1cccc2nc[nH]c12
27089 NC(=O)c1ccc[n+](c1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
27090 COC1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1 |(8.14,2.59,;7.35,1.27,;5.81,1.29,;5.07,2.64,;3.53,2.66,;2.74,1.34,;3.48,-0,;5.02,-.03,;1.2,1.34,;.29,.1,;-1.17,.57,;-2.51,-.2,;-3.84,.57,;-3.84,2.11,;-2.51,2.88,;-2.51,4.42,;-1.17,5.19,;-3.84,5.19,;-1.17,2.11,;.29,2.59,)|
27091 NC(=O)c1cccc2nc([nH]c12)-c1ccccc1
27092 NC(=O)c1cccc2nc([nH]c12)C1CCN1
27093 NC(=O)c1cccc2nc([nH]c12)C1CNC1
27094 NC(=O)c1cccc2nc([nH]c12)[C@H]1CCCN1 |r|
27095 NC(=O)c1cccc2nc([nH]c12)[C@@H]1CCCN1 |r|
27096 NC(=O)c1cccc2nc([nH]c12)C1CCNC1
27097 NC(=O)c1cccc2nc([nH]c12)[C@H]1CCCCN1 |r|
27098 NC(=O)c1cccc2nc([nH]c12)[C@@H]1CCCCN1 |r|
27099 NC(=O)c1cccc2nc([nH]c12)C1CCCNC1
27100 NC(=O)c1cccc2nc([nH]c12)C1CCNCC1
27101 NC(=O)c1cccc2nc([nH]c12)C1CCCNCC1
27102 CC(C)N1CCC1c1nc2cccc(C(N)=O)c2[nH]1
27103 NC(=O)c1cccc2nc([nH]c12)C1CCN1C1CCCC1
27104 CCCN1CC(C1)c1nc2cccc(C(N)=O)c2[nH]1
27105 NC(=O)c1cccc2nc([nH]c12)C1CN(C1)C1CCCC1
27106 CN1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r|
27107 CN1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r|
27108 CC(C)N1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r|
27109 CC(C)N1CCC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 |r|
27110 CCCN1CCC(C1)c1nc2cccc(C(N)=O)c2[nH]1
27111 CC(C)N1CCC(C1)c1nc2cccc(C(N)=O)c2[nH]1
27112 NC(=O)c1cccc2nc([nH]c12)C1CCN(C1)C1CCCC1
27113 NC(=O)c1cccc2nc([nH]c12)C1CCN(CCc2ccccc2)C1
27114 CN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1
27115 CC(C)N1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1
27116 CN1CCCC(C1)c1nc2cccc(C(N)=O)c2[nH]1
27117 CC(C)N1CCCC(C1)c1nc2cccc(C(N)=O)c2[nH]1
27118 CN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27119 CCCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27120 CC(C)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27121 NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)C1CCCC1
27122 NC(=O)c1cccc2nc([nH]c12)C1CCN(CC1)c1ccc(cc1)C#N
27123 CC(C)N1CCCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27124 NC(=O)c1cccc2nc([nH]c12)C1CCCN(CC1)C1CCCC1
27125 NC(=O)c1cccc2nc([nH]c12)[C@@H]1CCC(=O)N1 |r|
27126 CC(=O)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27127 NC(=O)c1cccc2[nH]c(nc12)C1CCN(CC1)S(=O)(=O)c1ccccc1
27128 CN(C)S(=O)(=O)N1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27129 CCN(CC)CCN1CCC(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27130 NC(=O)c1cccc2nc([nH]c12)C1CNCCN1
27131 CN1CCN(C)C(C1)c1nc2cccc(C(N)=O)c2[nH]1
27132 CC(C)N1CCC(CC1)c1nc2c(cc(Cl)cc2[nH]1)C(N)=O
27133 CCCN1CCC(CC1)c1nc2c(cccc2n1C)C(N)=O
27134 CC1(CNC1)c1nc2cccc(C(N)=O)c2[nH]1
27135 C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r|
27136 C[C@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1 |r|
27137 CN1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
27138 CN1CCCC1c1nc2cccc(C(N)=O)c2[nH]1
27139 CC1(CCNC1)c1nc2cccc(C(N)=O)c2[nH]1
27140 CC(C)N1CCC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1
27141 CC1(CCCCN1)c1nc2cccc(C(N)=O)c2[nH]1
27142 NC(=O)c1cccc2nc([nH]c12)C1CCCCN1
27143 CCCN1CCCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
27144 CCCN1CCCCC1c1nc2cccc(C(N)=O)c2[nH]1
27145 CC1(CCCNCC1)c1nc2cccc(C(N)=O)c2[nH]1
27146 CC1(CCN1)c1nc2cccc(C(N)=O)c2[nH]1
27147 CC(C)N1CCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
27148 CC(C)N1CC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1
27149 CC1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
27150 CC(C)N1CCCC1(C)c1nc2cccc(C(N)=O)c2[nH]1
27151 CC1(CCCN1C1CCC1)c1nc2cccc(C(N)=O)c2[nH]1
27152 CN1CCC(C)(C1)c1nc2cccc(C(N)=O)c2[nH]1
27153 CC1(CCN(Cc2ccccc2F)C1)c1nc2cccc(C(N)=O)c2[nH]1
27154 CC1(CCN(CCc2ccccc2)C1)c1nc2cccc(C(N)=O)c2[nH]1
27155 C[C@@]1(CCC(=O)N1)c1nc2cccc(C(N)=O)c2[nH]1 |r|
27156 CCC1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
27157 CCC1(CCCN1C(C)C)c1nc2cccc(C(N)=O)c2[nH]1
27158 C[C@@]1(CCCN1)c1nc2c(cc(F)cc2[nH]1)C(N)=O |r|
27159 C[C@@]1(CCCN1)c1nc2c(cc(Cl)cc2[nH]1)C(N)=O |r|
27160 CC1(CCCN1)c1nc2c(cc(cc2[nH]1)C(F)(F)F)C(N)=O
27161 CC1(CCNCC1)c1nc2cccc(C(N)=O)c2[nH]1
27162 CC(C)N1CCC(C)(CC1)c1nc2cccc(C(N)=O)c2[nH]1
27163 CC1(CCCN(CC1)C1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1
27164 Cc1cc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)[nH]n1
27165 COC(=O)c1cc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)no1
27166 FC(F)(F)c1cccc(CN(CCCOc2n[nH]c3ccccc23)CC(c2ccccc2)c2ccccc2)c1Cl
27167 Cc1cc(C)c2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)n[nH]c2n1
27168 Cc1cc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)n2ncnc2n1
27169 COC(=O)Cc1c[nH]c2ccc(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cc12
27170 FC(F)(F)c1cccc(CN(CCCOc2ccc3[nH]ccc3c2)CC(c2ccccc2)c2ccccc2)c1Cl
27171 FC(F)(F)c1cccc(CN(CCCOc2cccc3[nH]ccc23)CC(c2ccccc2)c2ccccc2)c1Cl
27172 Cn1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
27173 CS(=O)(=O)n1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
27174 OC(=O)Cn1ccc2c(OCCCN(CC(c3ccccc3)c3ccccc3)Cc3cccc(c3Cl)C(F)(F)F)cccc12
27175 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27176 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27177 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27178 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27179 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27180 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27181 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27182 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27183 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27184 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCCC(=O)NO)nn2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
27185 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27186 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27187 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27188 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27189 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27190 CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27191 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27192 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)Cc2ccc(cc2)-c2cn(CCCCCCCCCC(=O)NO)nn2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O)OC
27193 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
27194 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)NC)[C@]2([H])CC[C@]13[H] |r,t:14|
27195 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(C)=O)[C@]2([H])CC[C@]13[H] |r,t:14|
27196 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)C4CC4)[C@]2([H])CC[C@]13[H] |r,t:14|
27197 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)c4ccccc4)[C@]2([H])CC[C@]13[H] |r,t:14|
27198 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)c4ccc(cc4)C#N)[C@]2([H])CC[C@]13[H] |r,t:14|
27199 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)c4ccncc4)[C@]2([H])CC[C@]13[H] |r,t:14|
27200 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)Cc4cccs4)[C@]2([H])CC[C@]13[H] |r,t:14|
27201 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)c4ccc(cc4)C#N)[C@]2([H])CC[C@]13[H] |r,t:14|
27202 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)OC)[C@]2([H])CC[C@]13[H] |r,t:14|
27203 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
27204 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)S(=O)(=O)N(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
27205 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)S(=O)(=O)CC)[C@]2([H])CC[C@]13[H] |r,t:14|
27206 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)S(=O)(=O)c4ccccc4)[C@]2([H])CC[C@]13[H] |r,t:14|
27207 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)S(=O)(=O)c4ccc(cc4)C#N)[C@]2([H])CC[C@]13[H] |r,t:14|
27208 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@@H](N)[C@@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14|
27209 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](N)[C@H](C)CC)[C@]2([H])CC[C@]13[H] |r,t:14|
27210 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](NC)C(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|
27211 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](CC(C)C)NC(C)=O)[C@]2([H])CC[C@]13[H] |r,t:14|
27212 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](Cc4ccccc4)NC(C)=O)[C@]2([H])CC[C@]13[H] |r,t:14|
27213 O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
27214 [H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)OCC(Cl)(Cl)Cl)[C@]2([H])CC[C@]13[H] |r,t:14|
27215 [H][C@]12CC[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]13CN(C)C2=O)N(C)C |r,t:9|
27216 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
27217 CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
27218 CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(C(C)C)c2n1 |r|
27219 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 |r|
27220 CC[C@@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
27222 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27223 NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27224 [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27225 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
27226 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
27227 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
27228 [#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
27229 [#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
27230 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(O)=O |r|
27231 NC(=O)CCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27232 NC(=O)CCCCCNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27233 NCCCC[C@@H](NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r|
27234 NCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27235 NCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27236 NCCCCNC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27237 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(=O)NCCO |r|
27238 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCCCCC(=O)NCc1ccccc1 |r|
27239 NC(=O)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27240 NC(=O)[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
27241 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
27242 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
27243 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27244 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27245 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27246 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
27247 [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
27248 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27249 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O |r|
27250 [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
27251 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27252 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1cccc(CCNS(=O)(=O)c2ccccc2)c1
27253 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
27254 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CNS(=O)(=O)c2ccccc2)cc1
27255 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCCNS(=O)(=O)c2ccccc2)cc1
27256 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
27257 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNS(=O)(=O)c2cccs2)cc1
27258 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNS(=O)(=O)c2ccc(s2)-c2ccccn2)cc1
27259 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CNC(=O)c2ccccc2)cc1
27260 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCNC(=O)c2ccccc2)cc1
27261 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCCNC(=O)c2ccccc2)cc1
27262 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CN)cc1
27263 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CC#N)cc1
27264 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
27265 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCCO)cc1
27266 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(OCCO)cc1
27267 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(O)=O)cc1
27268 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(N)=O)cc1
27269 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(\C=C\C(N)=O)cc1
27270 CNC(=O)CCc1ccc(cc1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27271 CC(C)CNC(=O)CCc1ccc(cc1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27272 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc(CCC(=O)Nc2ccccc2)cc1
27273 O=C(c1ccccc1)n1c(cc2ccccc12)-c1ccc(CCC#N)cc1
27274 O=C(NCCc1ccc(cc1)-c1cc2ccccc2n1C(=O)c1ccccc1)c1ccccc1
27275 CC(C)(C)OC(=O)n1c(cc2c(O)cccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27276 CC(C)(C)OC(=O)n1c(cc2c(OCc3ccccc3)cccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27277 CC(C)(C)OC(=O)n1c(cc2cc(O)ccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27278 CC(C)(C)OC(=O)n1c(cc2cc(OCc3ccccc3)ccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27279 CC(C)(C)OC(=O)n1c(cc2cc(F)ccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27280 CC(C)(C)OC(=O)n1c(cc2cc(ccc12)C#N)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27281 COc1ccc2n(C(=O)OC(C)(C)C)c(cc2c1)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27282 Cc1ccc2n(C(=O)OC(C)(C)C)c(cc2c1)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27283 CC(C)(C)OC(=O)n1c(cc2ccc(OCc3ccccc3)cc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27284 COc1ccc2cc(-c3ccc4CC(Cc4c3)NS(=O)(=O)c3ccccc3)n(C(=O)OC(C)(C)C)c2c1
27285 Cc1ccc2cc(-c3ccc4CC(Cc4c3)NS(=O)(=O)c3ccccc3)n(C(=O)OC(C)(C)C)c2c1
27286 CC(C)(C)OC(=O)n1c(cc2ccc(O)cc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27287 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2C[C@H](Cc2c1)NS(=O)(=O)c1ccccc1 |r|
27288 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2C[C@@H](Cc2c1)NS(=O)(=O)c1ccccc1 |r|
27289 O=S(=O)(NC1Cc2ccc(cc2C1)-c1cc2ccccc2[nH]1)c1ccccc1
27290 COC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27291 CCOC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27292 CC(C)CCOC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27293 CC(C)(C)COC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27294 CCCCC(C)COC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27295 O=S(=O)(NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1S(=O)(=O)c1ccccc1)c1ccccc1
27296 O=C(CC1CC1)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27297 O=C(C1CCCC1)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27298 CCCCCC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27299 CC(C)(C)CC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27300 Cn1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27301 CC(C)(C)OC(=O)Cn1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1
27302 O=S(=O)(NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1CCCOCc1ccccc1)c1ccccc1
27303 O=S(=O)(NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1Cc1ccccc1)c1ccccc1
27304 COc1ccc(Cn2c(cc3ccccc23)-c2ccc3CC(Cc3c2)NS(=O)(=O)c2ccccc2)cc1
27305 O=S(=O)(NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1CCc1ccccc1)c1ccccc1
27306 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(Cl)cc1
27307 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(F)cc1
27308 CCc1ccc(cc1)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27309 Cc1ccc(cc1)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27310 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(cc1)C(F)(F)F
27311 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1cccc(Cl)c1
27312 Cc1cccc(c1)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27313 COc1cccc(c1)S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27314 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1cccc(c1)C#N
27315 COC(=O)c1ccccc1S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27316 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1C(O)=O
27317 Cc1ccccc1S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27318 COc1ccccc1S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27319 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1C(F)(F)F
27320 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1C#N
27321 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1F
27322 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1c(F)cccc1F
27323 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccccc1Cl
27324 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1cccs1
27325 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(s1)-c1ccon1
27326 Cc1noc(C)c1S(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27327 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
27328 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(=O)(=O)Cc1ccccc1
27329 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NS(C)(=O)=O
27330 CCS(=O)(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27331 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NC(=O)c1ccccc1
27332 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NC(=O)c1ccccc1F
27333 COc1ccccc1C(=O)NC1Cc2ccc(cc2C1)-c1cc2ccccc2n1C(=O)OC(C)(C)C
27334 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NC(=O)c1ccccc1O
27335 CC(C)(C)OC(=O)n1c(cc2ccccc12)-c1ccc2CC(Cc2c1)NC(=O)Nc1ccccc1
27337 CCNC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)C(N)=O
27338 Clc1ccc(cc1)-n1c(nc2c(NN3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
27339 Clc1ccc(cc1)-n1c(nc2c(NC3CCCCC3)ncnc12)-c1ccc(Cl)cc1Cl
27340 Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccc(Cl)cc1Cl
27341 Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCCCC1)-c1ccccc1Cl
27342 CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
27343 CN1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
27344 O=C1NCCc2[nH]c(cc12)-c1ccncc1
27345 CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
27346 CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
27347 O=C1NC(Cc2[nH]c(cc12)-c1ccncc1)C1CC1
27348 CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
27349 CC1(C)Cc2[nH]c(cc2C(=O)N1)-c1ccncc1
27350 O=C1NC(COCc2ccccc2)Cc2[nH]c(cc12)-c1ccncc1
27351 Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
27352 CC1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
27353 CC(C)C1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
27354 Nc1nccc(n1)-c1cc2c(CC(NC2=O)C2CC2)[nH]1
27355 CC(C)CC1Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
27356 CC1(C)Cc2[nH]c(cc2C(=O)N1)-c1ccnc(N)n1
27357 Nc1nccc(n1)-c1cc2c(CC(COCc3ccccc3)NC2=O)[nH]1
27358 CC1CNC(=O)c2cc([nH]c12)-c1ccncc1
27359 CCC1CNC(=O)c2cc([nH]c12)-c1ccncc1
27360 CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccncc1
27361 O=C1NCC(C2CCC2)c2[nH]c(cc12)-c1ccncc1
27362 FCCC1CNC(=O)c2cc([nH]c12)-c1ccncc1
27363 CC1(C)CNC(=O)c2cc([nH]c12)-c1ccncc1
27364 CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccncc1
27365 O=C1NCC(c2[nH]c(cc12)-c1ccncc1)c1ccccc1
27366 CC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
27367 CCC1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
27368 CC(C)C1CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
27369 Nc1nccc(n1)-c1cc2c([nH]1)C(CNC2=O)C1CCC1
27370 Nc1nccc(n1)-c1cc2c([nH]1)C(CCF)CNC2=O
27371 CC1(C)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
27372 CCC1(CC)CNC(=O)c2cc([nH]c12)-c1ccnc(N)n1
27373 Nc1nccc(n1)-c1cc2c([nH]1)C(CNC2=O)c1ccccc1
27374 Nc1nccc(n1)-c1cc2c([nH]1)C(CCC(F)(F)F)CNC2=O
27375 Nc1nccc(n1)-c1cc2c([nH]1)C(CCOCc1ccccc1)CNC2=O
27376 Nc1nccc(n1)-c1cc2c([nH]1)C(CCCOCc1ccccc1)CNC2=O
27377 Nc1nccc(n1)-c1cc2c([nH]1)C(CCO)CNC2=O
27378 Nc1nccc(n1)-c1cc2c([nH]1)C(CCCO)CNC2=O
27379 Nc1nccc(n1)-c1cc2c([nH]1)[C@H](CCF)CNC2=O |r|
27380 Nc1nccc(n1)-c1cc2c([nH]1)[C@@H](CCF)CNC2=O |r|
27381 O=C1NCCc2[nH]c(cc12)-c1cccnc1
27382 Fc1cnccc1-c1cc2c(CCNC2=O)[nH]1
27383 O=C1NCCc2[nH]c(cc12)-c1ccncn1
27384 O=C1NCCc2[nH]c(cc12)-c1ccnc2[nH]ccc12
27385 O=C1NCCc2[nH]c(cc12)-c1ncnc2nc[nH]c12
27386 O=C1NCCc2[nH]c(cc12)-c1ccccc1
27387 O=C1NCCc2[nH]ccc12
27388 Clc1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
27389 Nc1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
27390 Nc1ncc(Br)c(n1)-c1cc2c(CCNC2=O)[nH]1
27391 O=C1NCCc2[nH]c3c(ccc4cnccc34)c12
27392 Nc1nccc(n1)-c1c[nH]c2CCNC(=O)c12
27393 Cc1c([nH]c2CCNC(=O)c12)-c1ccncc1
27394 Cn1c2CCNC(=O)c2cc1-c1ccncc1
27395 O=C1NCCn2nc(cc12)-c1ccncc1
27396 O=C1NCCc2oc(cc12)-c1ccncc1
27397 O=C1NCc2[nH]c(cc12)-c1ccncc1
27398 O=C1NCCCc2[nH]c(cc12)-c1ccncc1
27399 O=CN1CCc2[nH]c(cc2C1=O)-c1ccncc1
27400 CCn1c2CCNC(=O)c2cc1-c1ccncc1
27401 OCCn1c2CCNC(=O)c2cc1-c1ccncc1
27402 FC(F)(F)Cn1c2CCNC(=O)c2cc1-c1ccncc1
27403 Cn1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27404 CCn1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27405 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CCO
27406 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CC(F)(F)F
27407 CCCn1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27408 CC(C)n1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27409 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1C1CCC1
27410 CCCCn1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27411 CC(C)Cn1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27412 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CC1CC1
27413 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CCF
27414 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1CCCC(F)(F)F
27415 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1C1CCCCC1
27416 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1-c1ccccc1
27417 Nc1nccc(n1)-c1cc2c(CCNC2=O)n1Cc1ccccc1
27418 CN1CCC(CC1)n1c2CCNC(=O)c2cc1-c1ccnc(N)n1
27419 CCCNc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
27420 CC(C)CNc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
27421 O=C1NCCc2[nH]c(cc12)-c1ccnc(Nc2ccccc2)n1
27422 O=C1NCCc2[nH]c(cc12)-c1ccnc(NCc2ccccc2)n1
27423 O=C1NCCc2[nH]c(cc12)-c1ccnc(NCC2CCCCC2)n1
27424 CC(=O)Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
27425 CC(C)C(=O)Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
27426 O=C(Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1)c1ccccc1
27427 Cc1nc2sc3c(N)ncnc3c2c2CCCCc12
27428 CCc1c(C)nc2sc3c(N)ncnc3c2c1C
27429 Cc1c2CCCCc2nc2sc3c(N)ncnc3c12
27430 Cc1nc2sc3c(N)ncnc3c2c(C)c1CC=C
27431 Cc1nc2sc3c(N)ncnc3c2c2CCCc12
27432 Cc1nc2sc3c(N)ncnc3c2c(C)c1C
27433 Cc1c2CCCc2nc2sc3c(N)ncnc3c12
27434 Cc1cc(C)c2c(n1)sc1c(N)ncnc21
27435 Cc1nc2sc3c(N)ncnc3c2c(C)c1Cc1ccccc1
27436 Nc1ncnc2c1sc1nc(cc(c21)C(F)(F)F)C1CC1
27437 Nc1ncnc2c3cc(cnc3sc12)-c1ccccc1
27438 CCOC(=O)c1cc2c(nc1C)sc1c(N)ncnc21
27439 Nc1ncnc2c3cccnc3sc12
27440 CNc1ncnc2c1sc1nc(C)cc(C)c21
27441 CN(C)c1ncnc2c1sc1nc(C)cc(C)c21
27442 Cc1cc(C)c2c(n1)sc1c(Nc3ccccc3)ncnc21
27443 Cc1ccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)cc1
27444 COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC
27445 COc1cc2ncn(-c3cc(OCc4ccc(cc4)S(C)(=O)=O)c(s3)C#N)c2cc1OC
27446 COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C(N)=O)c2cc1OC
27447 COc1cc2ncn(-c3cc(OCC4CCCO4)c(s3)C#N)c2cc1OC
27448 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C#N)c2cc1OC
27449 COc1cc2n(cnc2cc1OCCN1CCOCC1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C#N
27450 COc1cc2n(cnc2cc1OCCCO)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C#N
27451 COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C#N)c2cc1OC |r|
27452 COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC
27453 COc1cc2ncn(-c3cc(OCCN4CCOCC4)c(s3)C#N)c2cc1OC
27454 COc1cc2ncn(-c3cc(O)c(s3)C#N)c2cc1OC
27455 COc1cc2ncn(-c3cc(OCC4CC4)c(s3)C#N)c2cc1OC
27456 N#Cc1sc(cc1OCc1ccccc1)-n1cnc2ccccc12
27457 COc1cc2ncn(-c3cc(OCCN4CCCCC4)c(s3)C#N)c2cc1OC
27458 COc1cc2ncn(-c3cc(OCc4ccc(cc4)C(N)=O)c(s3)C#N)c2cc1OC
27459 COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C#N)c2cc1OC |r|
27460 CNC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
27461 CNC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
27462 NC(=O)c1cc(ccc1N)-c1ccccc1
27463 NC(=O)c1cc(ccc1N)-c1ccc(F)cc1
27464 NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1
27465 NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
27466 NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
27467 NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
27468 CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccc(Cl)cc1
27469 CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
27470 CS(=O)(=O)Nc1cccc(c1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
27471 NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccccc1
27472 NC(=O)c1cc(cc(-c2cccc(c2)S(N)(=O)=O)c1N)-c1ccccc1
27473 NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
27474 CN(C)c1cccc(c1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
27475 NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
27476 NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccncc1
27477 CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(N)(=O)=O
27478 CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
27479 COc1ccc(cc1C(N)=O)-c1ccncc1
27480 COc1c(cc(cc1-c1ccncc1)-c1ccccc1)C(N)=O
27481 COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O
27482 COc1c(cc(cc1-c1ccccc1)-c1ccncc1)C(N)=O
27483 NC(=O)c1cc(ccc1O)-c1ccncc1
27484 NC(=O)c1cc(cc(c1O)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
27485 CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccccc1
27486 CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccncc1
27487 CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
27488 NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1
27489 NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
27490 COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
27491 NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1
27492 NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1
27493 Cc1nc[nH]c1C1CCN(CC1)c1nc2cccc3C(=O)CCn1c23
27494 O=C1CCn2c(nc3cccc1c23)-c1ccc(cc1)-c1ccccn1
27495 Cc1nc2c(O)cc(Cl)cn2c1C
27496 Cn1cccc1\C=C1/C(=O)NC(=O)c2ccccc12
27497 CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
27498 Nc1ccc2C(=O)NC(=O)c3cccc1c23
27499 O=C1NCC2c3ccccc3Oc3cccc1c23
27500 O=c1[nH]c2ccccc2c2ccccc12
27501 Oc1cccc2c1cc[nH]c2=O
27502 O=C1NCCc2c(OCCCCN3CCCCC3)cccc12
27503 Nc1cccc2c1cc[nH]c2=O
27504 O=c1[nH]cnc2ccccc12
27505 Nc1ccc2oc(=O)ccc2c1I
27506 NC(=O)c1cccc(N)c1
27507 NC(=O)c1cccnc1
27508 O=c1[nH]c-2c(Cc3ccccc-23)c2ccccc12
27510 [O-][N+](=O)c1ccc2Cc3c([nH]c(=O)c4ccccc34)-c2c1
27511 [O-][N+](=O)c1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27512 Fc1ccc2Cc3c([nH]c(=O)c4ccccc34)-c2c1
27513 Fc1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27514 Nc1ccc2Cc3c([nH]c(=O)c4ccccc34)-c2c1
27515 Nc1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27516 CN(C)CC(=O)Nc1ccc2Cc3c([nH]c(=O)c4ccccc34)-c2c1
27517 O=C(CN1CCOCC1)Nc1ccc2Cc3c([nH]c(=O)c4ccccc34)-c2c1
27518 CN1CCN(CC(=O)Nc2ccc3Cc4c([nH]c(=O)c5ccccc45)-c3c2)CC1
27519 O=C(CCCN1CCOCC1)Nc1ccc2Cc3c([nH]c(=O)c4ccccc34)-c2c1
27520 CN(C)CC(=O)Nc1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27521 Fc1ccc(cc1)N1CCN(CC(=O)Nc2ccc-3c(Cc4c-3[nH]c(=O)c3ccccc43)c2)CC1
27522 O=C(CCCN1CCOCC1)Nc1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27523 OCC(=O)Nc1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27524 CCCNC(=O)Nc1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27525 O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
27526 O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCn2ccnc2)c2ccccc12
27527 O=c1[nH]c-2c(Cc3cc(ccc-23)S(=O)(=O)NCCCc2ccccc2)c2ccccc12
27528 Fc1cc-2c(Cc3c-2[nH]c(=O)c2ccccc32)cc1S(=O)(=O)NCCCN1CCOCC1
27529 Fc1cc-2c(Cc3c-2[nH]c(=O)c2ccccc32)cc1S(=O)(=O)NN1CCOCC1
27530 Fc1cc-2c(Cc3c-2[nH]c(=O)c2ccccc32)cc1S(=O)(=O)n1ccnc1
27531 [O-]S(=O)(=O)c1ccc-2c(Cc3c-2[nH]c(=O)c2ccccc32)c1
27532 C[N+]1(CCCNS(=O)(=O)c2ccc-3c(Cc4c-3[nH]c(=O)c3ccccc43)c2)CCOCC1
27533 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1
27534 OCCN1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27535 OCCN1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27536 O=C(N1CCCN(Cc2ccccc2)CC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27537 CCS(=O)(=O)N1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27538 O=C(N1CCOCC1)N1CCCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27539 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCN(CC1)C(=O)N1CCOCC1
27540 CC(=O)N1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27541 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCN(CC1)C(=O)C1CC1
27542 O=C(N1CCNCC1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27543 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCNCC1
27544 O=C(N1CCN(CC1)c1ccccn1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27545 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccccn1
27546 O=C(N1CCN(CC1)c1ncccn1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27547 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ncccn1
27548 CCS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27549 CCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27550 O=C(N1CCOCC1)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27551 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)N1CCOCC1
27552 O=C(N1CCN(CC1)c1ccccc1)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27553 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1ccccc1
27554 O=C(N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)c1ccccc1
27555 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1
27556 OCCN1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27557 OCCN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27558 CN1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27559 CN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27560 CCN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27561 CCCN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27562 CCCCN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27563 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC2CC2)CC1
27564 CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27565 CCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
27566 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
27567 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCC1
27568 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCCC1
27569 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCO1
27570 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCOC1
27571 Cc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
27572 CCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
27573 CNCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
27574 COCc1n[nH]c2cccc(Oc3cc(cc(c3)C#N)C#N)c12
27575 Cc1n[nH]c2ccc(Cl)c(Oc3cc(cc(c3)C#N)C#N)c12
27576 Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
27577 CCc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
27578 Cc1n[nH]c2c(CO)ccc(Oc3cc(cc(c3)C#N)C#N)c12
27579 CC(C)c1nc(COC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1
27580 CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
27581 CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2ccccc2)cc1
27582 CCC1(Oc2cccnc2-n2cccc2C1=O)c1ccc(COc2cccc(Cl)c2)cc1
27583 Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(OCC(O)=O)cc1
27584 Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27585 C\C(=C\CCC(=O)Nc1ccc(cc1Cl)-c1ccc(OCC(O)=O)cc1)c1ccc(C)cc1Cl
27586 C\C(=C/CCC(=O)Nc1ccc(cc1Cl)-c1ccc(OCC(O)=O)cc1)c1ccc(C)cc1Cl
27587 Cc1ccc(c(Cl)c1)-c1ccccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27588 Cc1ccc(c(Cl)c1)-c1ccccc1OCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27589 Cc1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccccc1Cl
27590 CC(C)(C)c1ccc(c(Cl)c1)-n1nnnc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27591 Cc1ccc(c(Cl)c1)-n1nncc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27592 Cc1ccc(c(Cl)c1)-n1nccc1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27593 Cc1cnn(c1SCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1)-c1ccc(C)cc1Cl
27594 Cc1ccc(c(Cl)c1)-n1nccc1OCC(=O)Nc1ccc(cc1Cl)-c1ccc(CC(O)=O)cc1
27595 Cc1ccc(-c2c(SCC(=O)Nc3ccc(cc3Cl)-c3ccc(CC(O)=O)cc3)cnn2C)c(Cl)c1 |(-3.68,-4.07,;-3.68,-2.53,;-2.35,-1.76,;-2.35,-.22,;-3.68,.55,;-3.68,2.09,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-2.98,4.48,;-4.52,4.43,;-4.95,2.96,;-6.4,2.44,;-5.02,-.22,;-6.35,.55,;-5.02,-1.76,)|
27596 Cc1ccc(-c2c(SCC(=O)Nc3ccc(cc3Cl)-c3ccc(OCC(O)=O)cc3)ccn2C)c(Cl)c1 |(-3.68,-4.07,;-3.68,-2.53,;-2.35,-1.76,;-2.35,-.22,;-3.68,.55,;-3.68,2.09,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;15.49,-.99,;14.16,-3.3,;11.17,2.64,;9.74,3.22,;-2.98,4.48,;-4.52,4.43,;-4.95,2.96,;-6.4,2.44,;-5.02,-.22,;-6.35,.55,;-5.02,-1.76,)|
27597 Cc1cnc(SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)n1-c1ccc(C)cc1Cl |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-3.68,-4.07,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,)|
27598 Cc1cn(c(SCC(=O)Nc2ccccc2Cl)n1)-c1ccc(C)cc1Cl
27599 Cc1ccc(-c2nnsc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1
27600 Cc1ccc(-c2ncsc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1
27601 Cc1ccc(-c2ncoc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1
27602 Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;8.75,.74,;10.18,.17,;11.39,1.12,;12.82,.55,;12.82,-.99,;14.16,-1.76,;11.49,-1.76,;11.17,2.64,;9.74,3.22,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|
27603 CC(C)(C)c1ccc(-c2cn[nH]c2OCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1
27604 Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)CO)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|
27605 Cc1[nH]nc(OCC(=O)Nc2ccc(cc2Cl)C#CC(C)(C)C(O)=O)c1-c1ccc(cc1Cl)C(C)(C)C |(-6.4,2.44,;-4.95,2.96,;-4.52,4.43,;-2.98,4.48,;-2.46,3.03,;-.99,2.6,;.13,3.66,;1.61,3.23,;1.97,1.73,;2.72,4.29,;4.21,3.89,;4.46,2.37,;5.9,1.83,;7.09,2.81,;6.84,4.32,;5.4,4.87,;5.15,6.39,;8.53,2.26,;10.02,1.86,;11.51,1.47,;11.11,-.02,;12.6,.38,;12.6,2.55,;14.08,2.16,;12.2,4.04,;-3.68,2.09,;-3.68,.55,;-2.35,-.22,;-2.35,-1.76,;-3.68,-2.53,;-5.02,-1.76,;-5.02,-.22,;-6.35,.55,;-3.68,-4.07,;-5.02,-4.84,;-2.35,-4.84,;-3.68,-5.61,)|
27606 [O-][N+](=O)c1ccccc1NC(=O)CSc1nnnn1-c1cccc2ccccc12
27607 CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(O)=O
27608 Cc1ccc(-c2nn(C)cc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1
27609 Fc1c(Cc2n[nH]c3c(cccc23)C#N)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
27610 Nc1cccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)n[nH]c12
27611 Cn1ccc2c(Cc3ccc(Br)c(Oc4cc(Cl)cc(c4)C#N)c3F)[nH]nc2c1=O
27612 Fc1c(Cc2n[nH]c3ncccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
27613 Fc1c(Cc2n[nH]c3cnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
27614 Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
27615 Fc1c(Cc2n[nH]c3nccnc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
27616 Fc1c(Cc2n[nH]c3nnccc23)ccc(Cl)c1Oc1cc(Cl)cc(c1)C#N
27617 Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(cc(c1)C#N)C#N
27618 Cc1cc(Oc2ccc(Cc3n[nH]c4nnccc34)cc2Br)cc(c1)C#N
27619 COc1cc(ccc1O)-c1cncc(NC(C)c2cccc(NC(=O)c3cccnc3)c2)n1
27620 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccnc2)c1 |r|
27621 C[C@H](Nc1cncc(Cl)n1)c1cccc(N)c1 |r|
27622 C[C@H](Nc1cncc(Cl)n1)c1cccc(c1)N(C)C(=O)c1cccnc1 |r|
27623 C[C@H](Nc1cncc(Cl)n1)c1cccc(NCc2cccnc2)c1 |r|
27624 C[C@H](Nc1cncc(Cl)n1)c1cccc(NS(=O)(=O)c2cccnc2)c1 |r|
27625 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(C)nc2)c1 |r|
27626 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccnc(C)c2)c1 |r|
27627 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(C)c2)c1 |r|
27628 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(Br)c2)c1 |r|
27629 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccccc2)c1 |r|
27630 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 |r|
27631 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 |r|
27632 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2ccc(C)cc2)c1 |r|
27633 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccc(C)c2)c1 |r|
27634 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cc(C)ccc2F)c1 |r|
27635 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncs2)c1 |r|
27636 C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)C2CCCN(C)C2)c1 |r|
27637 C[C@H](Nc1cncc(Br)c1)c1cccc(NC(=O)c2cncc(C)c2)c1 |r|
27638 C[C@H](Nc1cccc(Br)n1)c1cccc(NC(=O)c2cncc(C)c2)c1 |r|
27639 COc1cc(ccc1O)-c1cncc(N[C@@H](C)c2cccc(NC(=O)c3cccnc3)c2)n1 |r|
27640 COc1cc(ccc1O)-c1cncc(N[C@H](C)c2cccc(NC(=O)c3cccnc3)c2)n1 |r|
27641 COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
27642 COc1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
27643 COc1ccccc1CNC(=O)c1cc(nn1-c1ccc(CNC(=O)[C@H](C)N)s1)C(F)(F)F |r|
27644 COc1ccccc1CNC(=O)c1cc(nn1-c1nc(CNC(=O)[C@H](C)N)cs1)C(F)(F)F |r|
27645 COc1ccccc1CNC(=O)c1cc(nn1-c1cc(CNC(=O)[C@H](C)N)ccn1)C(F)(F)F |r|
27646 COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)n1)C(F)(F)F |r|
27647 COc1ccccc1CNC(=O)c1cc(nn1-c1cccc2CN(Cc12)C(=O)[C@H](C)N)C(F)(F)F |r|
27648 COc1ccccc1CNC(=O)c1cc(nn1-c1cccc2cc(CNC(=O)[C@H](C)N)oc12)C(F)(F)F |r|
27649 C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1F)C(F)(F)F |r|
27650 C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
27651 C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccc1C)C(F)(F)F |r|
27652 COc1cccc(CNC(=O)c2cc(nn2-c2csc(CNC(=O)[C@H](C)N)c2)C(F)(F)F)c1 |r|
27653 COC(=O)c1ccccc1CNC(=O)c1cc(nn1-c1csc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
27654 C[C@H](N)C(=O)NCc1ccc(s1)-n1nc(cc1C(=O)NCc1ccccc1F)C(F)(F)F |r|
27655 C[C@H](N)C(=O)NCc1ccc(s1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
27656 C[C@H](N)C(=O)NCc1ccc(s1)-n1nc(cc1C(=O)NCc1ccccc1C(F)(F)F)C(F)(F)F |r|
27657 CC(C)Oc1ccccc1CNC(=O)c1cc(nn1-c1ccc(CNC(=O)[C@H](C)N)s1)C(F)(F)F |r|
27658 C[C@H](N)C(=O)NCc1cc(cs1)-n1nc(cc1C(=O)NCc1ccccn1)C(F)(F)F |r|
27659 C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
27660 O=c1[nH]nc(Cc2ccccc2)c2ccccc12
27661 O=C(C1CCCC1)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27662 CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
27663 NC(=O)c1ccccc1OCc1cccc(c1)C(=O)N1CCNCC1
27664 NC(=O)c1ccccc1OCc1ccc(F)c(c1)C(=O)N1CCNCC1
27665 NC(=O)c1ccccc1OCc1cccc(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1
27666 NC(=O)c1ccccc1OCc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1
27667 CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc(COc2ccccc2C(N)=O)c1
27668 CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(COc2ccccc2C(N)=O)ccc1F
27669 NC(=O)c1ccccc1OCCc1cccc(c1)C(=O)N1CCNCC1
27670 NC(=O)c1ccccc1OCCc1ccc(F)c(c1)C(=O)N1CCNCC1
27671 NC(=O)c1ccccc1OCCc1cccc(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1
27672 NC(=O)c1ccccc1OCCc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1
27673 CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cccc(CCOc2ccccc2C(N)=O)c1
27674 CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(CCOc2ccccc2C(N)=O)ccc1F
27675 NC(=O)c1cc(F)ccc1OCc1ccc(F)c(c1)C(=O)N1CCNCC1
27676 NC(=O)c1cc(F)c(F)cc1OCc1ccc(F)c(c1)C(=O)N1CCNCC1
27677 NC(=O)c1ccc(F)cc1OCc1ccc(F)c(c1)C(=O)N1CCNCC1
27678 NC(=O)c1cc(F)cc(F)c1OCc1ccc(F)c(c1)C(=O)N1CCNCC1
27679 NC(=O)c1c(F)ccc(F)c1OCc1ccc(F)c(c1)C(=O)N1CCNCC1
27680 NC(=O)c1cc(F)ccc1OCc1ccc(F)c(c1)C(=O)N1CCN(CC1)C(=O)C1CCCC1
27681 CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(COc2ccc(F)cc2C(N)=O)ccc1F
27682 Cc1cccc2C(=O)NCCc12
27684 COc1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
27685 CN(C)Cc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23
27686 Cc1nn(C)c2nc3CSCc3c(O)c12
27687 Cc1nn(C)c2nc3CCCc3c(O)c12
27688 Cc1nn(C)c2nc3CCCCc3c(O)c12
27689 Cc1nn(C)c2[nH]c(=O)c3CSCc3c12
27690 Cn1nc(-c2ccccc2)c2c3CSCc3c(=O)[nH]c12
27691 Cn1nc(-c2cccs2)c2c3CSCc3c(=O)[nH]c12
27692 Cc1nn(c2[nH]c(=O)c3CSCc3c12)C(C)(C)C
27693 Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CSCc3c12
27694 Cc1nn(C)c2[nH]c(=O)c3CCCc3c12
27695 Cn1nc(-c2ccccc2)c2c3CCCc3c(=O)[nH]c12
27696 Cn1nc(-c2cccs2)c2c3CCCc3c(=O)[nH]c12
27697 Cc1nn(c2[nH]c(=O)c3CCCc3c12)C(C)(C)C
27698 Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CCCc3c12
27699 O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCc12)-c1ccccc1
27700 Cc1nn(C)c2[nH]c(=O)c3CCCCc3c12
27701 Cn1nc(-c2ccccc2)c2c3CCCCc3c(=O)[nH]c12
27702 Cn1nc(-c2cccs2)c2c3CCCCc3c(=O)[nH]c12
27703 Cc1nn(-c2ccccc2)c2[nH]c(=O)c3CCCCc3c12
27704 O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCCc12)-c1ccccc1
27705 O=c1[nH]c(CCCN2CCC(=CC2)c2ccccc2)nc2ccccc12 |c:10|
27706 Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccccc1)[nH]c2=O |c:16|
27707 Clc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(cc1)C#N)[nH]c2=O |c:16|
27708 Fc1ccc(cc1)C1=CCN(CCCc2nc3c(Cl)cccc3c(=O)[nH]2)CC1 |t:8|
27709 Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O |c:16|
27710 Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14|
27711 Clc1ccc(cc1)N1CCN(CCCc2nc3ccccc3c(=O)[nH]2)CC1
27712 Cc1nc2cccc(Cl)c2c(=O)[nH]1
27713 O=c1[nH]c(=O)c2ccccc2n1CCCCN1CCC(=CC1)c1ccccc1 |c:21|
27714 Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12 |c:14|
27715 Fc1cccc2n(CCCCC3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12 |c:14|
27716 O=c1[nH]nc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12 |c:12|
27717 Fc1ccc(cc1)C1=CCN(CCCCc2n[nH]c(=O)c3ccccc23)CC1 |t:8|
27718 O=c1[nH]c2ccc(CCCN3CCC(=CC3)c3ccccc3)cc2c2ccccc12 |c:13|
27719 NC(=O)c1cccc2ncc(nc12)-c1ccccc1
27720 NC(=O)c1cccc2ncc(nc12)-c1ccc(Cl)cc1
27721 NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C#N
27722 NC(=O)c1cccc2ncc(nc12)-c1ccc(cc1)C(F)(F)F
27723 COc1ccc(cc1)-c1cnc2cccc(C(N)=O)c2n1
27724 NC(=O)c1cccc2ncc(nc12)-c1ccc(N)cc1
27725 Cc1cccc(Cl)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
27726 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
27727 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccccc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
27728 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
27729 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccccc1)C(O)=O |r|
27730 COc1ccc(cc1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
27731 COc1cccc(c1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
27732 COc1ccccc1-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1 |r|
27733 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1cccc(F)c1)C(O)=O |r|
27734 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)cc1)C(O)=O |r|
27735 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)c(F)c1)C(O)=O |r|
27736 Cc1cccc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
27737 Cc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
27738 CCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
27739 CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
27740 Cc1cc(CC2CC2)cc(C)c1NC(=O)Nc1cc(F)ccc1C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
27741 CCCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1 |r|
27742 CCCc1cc(C)c(NC(=O)Nc2cc(F)ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(C)c1 |r|
27743 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(F)cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)C(O)=O |r|
27744 CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(F)c(F)c2)c(C)c1 |r|
27745 CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(OC)cc2)c(C)c1 |r|
27746 CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2cccc(F)c2)c(C)c1 |r|
27747 C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(CC2CC2)cc1C)-c1cccc(F)c1)C(O)=O |r|
27748 COc1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12
27749 COc1c2CNC(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12
27750 COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12
27751 CN(c1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)cc3)cc12)S(C)(=O)=O
27752 CN(c1c2CN(C)C(=O)c2c(O)c2ncc(Cc3ccc(F)c(Cl)c3)cc12)S(C)(=O)=O
27753 ONC(=O)c1ccc(CNCc2cccc(Cl)c2)cc1
27754 COc1cccc(CNCc2ccc(cc2)C(=O)NO)c1
27755 ONC(=O)c1ccc(CNCCc2cccc(Cl)c2)cc1
27756 ONC(=O)c1ccc(CNc2ccc(Cl)cc2)cc1
27757 ONC(=O)c1ccc(CNC2CCCCC2)cc1
27758 Oc1ccc(cc1NC(=O)c1ccc(CNCCc2ccccc2)cc1)-c1ccccc1
27759 CC(C)CNCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1
27760 Oc1ccc(cc1NC(=O)c1ccc(CNCc2cccnc2)cc1)-c1ccccc1
27761 CC(NCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1)c1ccncc1
27762 Oc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1
27763 Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
27764 Oc1ccc(Cl)cc1NC(=O)c1ccc(CNc2ccncc2)cc1
27765 Oc1ccc(F)cc1NC(=O)c1ccc(CNc2ccncc2)cc1
27766 Oc1ccc(Br)cc1NC(=O)c1ccc(CNc2ccncc2)cc1
27767 Oc1ccccc1NC(=O)c1ccc(CNc2ccncc2)cc1
27768 COc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1
27769 Nc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1
27770 CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1)c1ccncc1
27771 Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C
27772 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1)-c1ccccc1
27773 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1
27774 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1
27775 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccsc1
27776 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F
27777 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccc(F)c1
27778 Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccc(F)cc1
27779 Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1cccs1
27780 Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F
27781 Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1
27782 Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1
27783 COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27784 COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27785 COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27786 COc1ccc(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27787 COc1cc(Cl)c(OCCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27788 COc1ccc(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27789 COc1cc(C)c(CCCN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27790 CCCN1CCC(CC1)Oc1ccc(OC)c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c1
27791 CCCN1CCC(CC1)Oc1cc(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)c(OC)cc1Cl
27792 COc1ccc(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27793 COc1cc(C)c(NC(=O)CN(C)C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27794 COc1ccc(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
27795 COc1cc(C)c(cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N(C)C(=O)CN(C)C
27796 COc1cc2CCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27797 COc1cc2CCN(C(=O)CN)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27798 CNCC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
27799 COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27800 CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
27801 CON(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
27802 CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc12
27803 COc1cc2CCN(C(=O)CN3CCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27804 COc1cc2CCN(C(=O)CN3CCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27805 COc1cc2CCN(C(=O)Cn3ccnc3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27806 COc1cc2CCN(C(=O)CN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27808 COc1cc2CCN(C(=O)CN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27809 COc1cc2CCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27810 COc1cc2CCN(C(=O)CCN3CCOCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27811 COc1cc2CCN(C(=O)CCN3CCN(CC3)C(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27812 COc1cc2CCN(CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27813 COc1cc2CCCN(C(C)=O)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27814 COc1cc2CCCN(C(=O)CN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27815 COc1cc2CCCN(C(=O)CN3CCCCC3)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27816 COc1cc2CCCN(C(=O)CCN(C)C)c2cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
27818 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(C)c1 |c:6|
27819 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)cc1 |c:6|
27820 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(F)c1 |c:6|
27821 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(c1)C(F)(F)F |c:6|
27822 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3ccccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 |c:6|
27823 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1 |c:6|
27824 CCCN1CCC=C(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC(C)C)c1 |c:6|
27825 CCCN1CCCC(C1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
27826 CCCN1CCC(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
27827 CCCN1CCN(CC1)c1ccc(Nc2nc(Nc3cc(F)ccc3C(N)=O)c3cc[nH]c3n2)c(OC)c1
27828 COc1cc(ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27829 COc1cc(ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1)N1CCOCC1
27830 COc1cc(ccc1N(C)c1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27831 COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2ccn(C)c2n1)N1CCN(CC1)C(C)C
27832 COc1cc(N2CCN(CC2)C(C)C)c(OC)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27833 COc1cc(N2CCN(CC2)C(C)C)c(F)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27834 COc1cc(N2CCN(CC2)C(C)C)c(C)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27835 COc1cc(N2CCN(CC2)C(C)C)c(Cl)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1
27836 COc1c(Nc2nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n2)ccc(N2CCN(CC2)C(C)C)c1F
27837 COc1c(C)c(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27838 COc1cc(ccc1Nc1nc(Nc2ccccc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27839 COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27840 COc1cc(ccc1Nc1nc(Nc2ccc(F)c(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27841 COc1cc(ccc1Nc1nc(Nc2cc(F)cc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27842 COc1cc(ccc1Nc1nc(Nc2cc(F)c(F)cc2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27843 CNC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12
27844 CNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12
27845 COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27846 COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NC[C@@H](O)CO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C |r|
27847 COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NCCO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
27848 COCCNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12
27849 Oc1c(occc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1
27850 Oc1c(occc1=O)C(=O)NCc1ccc(F)cc1
27851 COc1ccc(CNC(=O)c2occc(=O)c2O)cc1
27852 Oc1c(occc1=O)C(=O)NC(c1ccccc1)c1ccccc1
27853 COc1ccccc1CNC(=O)c1occc(=O)c1O
27854 COc1cccc(CNC(=O)c2occc(=O)c2O)c1
27855 Oc1c(occc1=O)C(=O)NCc1ccccc1
27856 CCNC(=O)c1occc(=O)c1O
27857 On1c(cccc1=O)C(=O)NCc1ccc(cc1)-c1ccccc1
27858 On1c(cccc1=O)C(=O)NCc1ccc(F)cc1
27859 Oc1c(occc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
27860 Oc1c(occc1=S)C(=O)NCc1ccc(F)cc1
27861 COc1ccc(CNC(=O)c2occc(=S)c2O)cc1
27862 Oc1c(occc1=S)C(=O)NC(c1ccccc1)c1ccccc1
27863 COc1ccccc1CNC(=O)c1occc(=S)c1O
27864 COc1cccc(CNC(=O)c2occc(=S)c2O)c1
27865 Oc1c(occc1=S)C(=O)NCc1ccccc1
27866 CCNC(=O)c1occc(=S)c1O
27867 On1c(cccc1=S)C(=O)NCc1ccc(cc1)-c1ccccc1
27868 On1c(cccc1=S)C(=O)NCc1ccc(F)cc1
27869 Oc1c(occc1=S)C(=S)NCc1ccc(cc1)-c1ccccc1
27870 Oc1c(occc1=S)C(=S)NCc1ccc(F)cc1
27871 COc1ccc(CNC(=S)c2occc(=S)c2O)cc1
27872 Oc1c(occc1=S)C(=S)NC(c1ccccc1)c1ccccc1
27873 COc1ccccc1CNC(=S)c1occc(=S)c1O
27874 COc1cccc(CNC(=S)c2occc(=S)c2O)c1
27875 Oc1c(occc1=S)C(=S)NCc1ccccc1
27876 CCNC(=S)c1occc(=S)c1O
27877 Nc1c(N2CCc3ccc(CNC(=O)c4nc5sc6CS(=O)(=O)CCc6c5c(=O)[nH]4)cc3C2)c(=O)c1=O
27878 NC(=O)CC1CCCc2sc3nc([nH]c(=O)c3c12)C(=O)NCc1ccc2OCC(=O)Nc2c1
27879 Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
27880 CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
27881 COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
27882 Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)C1CCN(CCCF)CC1 |r|
27883 COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2ccc(OC)c(Cl)c2)cc[nH]c1=O |r|
27884 COc1ccc(cc1Cl)[C@H](O)CNc1cc[nH]c(=O)c1-c1nc2c(C)cc(cc2[nH]1)C1CCN(CCCF)CC1 |r|
27885 CN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
27886 Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCO)CC1
27887 COCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O
27888 Cc1cc(cc2[nH]c(nc12)-c1c(NCCn2cc(Cl)cn2)cc[nH]c1=O)C1CCN(CCCF)CC1
27889 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(C(N)=O)c3=O)-c2ccc3CCCc3c2)cc1
27890 CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(N)=O)c4=O)-c3ccc4CCCc4c3)cc2)CC1
27891 CNC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
27892 CNC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O
27893 CCNC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
27894 CN1CCN(CCc2ccc(Nc3ncc4c(n3)n(cc(C(=O)NCCO)c4=O)-c3ccc4CCCc4c3)cc2)CC1
27895 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
27896 CCONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
27897 CC(C)ONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O
27898 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(NCc3ccccc3)ncc2c1=O
27899 CCCCNc1ncc2c(n1)n(cc(C(=O)NOC)c2=O)-c1ccc2CCCc2c1
27900 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(OC)nc3)ncc2c1=O
27901 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCOCC4)cc3)ncc2c1=O
27902 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O
27903 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCNC(=O)C4)cc3)ncc2c1=O
27904 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCN4CCN(C)C(=O)C4)cc3)ncc2c1=O
27905 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(CCS(=O)(=O)NC(C)=O)cc3)ncc2c1=O
27906 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCNCC3)ncc2c1=O
27907 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(CCO)CC3)ncc2c1=O
27908 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(CC(O)=O)CC3)ncc2c1=O
27909 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
27910 CONC(=O)c1cn(-c2ccc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3(F)F)ncc2c1=O
27911 CCN1CCCC(O)(C1)c1cccc(Nc2ncc3c(n2)n(cc(C(=O)NOC)c3=O)-c2ccc3CCCc3c2)c1
27912 CCc1ccc(cc1)-n1cc(C(=O)NOC)c(=O)c2cnc(Nc3ccc(cc3)C3CCN(C)CC3)nc12
27913 CCc1cccc(c1)-n1cc(C(=O)NOC)c(=O)c2cnc(Nc3ccc(cc3)C3CCN(C)CC3)nc12
27914 CONC(=O)c1cn(-c2cnc3CCCc3c2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
27915 CONC(=O)c1cn(C2CCC(C)(C)CC2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
27916 CONC(=O)c1cn(C2CCCCC2)c2nc(Nc3ccc(cc3)C3CCN(C)CC3)ncc2c1=O
27917 CC1CCN(CC1)c1cc(ccc1NC(=O)c1cc(c[nH]1)C#N)N1CCN(C)CC1
27918 [H][C@]12CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27919 [H][C@]12CC[C@H](NC(=O)c3cccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27920 [H][C@]12CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27921 [H][C@]12CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27922 [H][C@]12CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27923 [H][C@]12CC[C@H](NC(=O)c3ccc4ccccc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27924 [H][C@]12CC[C@H](NC(=O)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27925 [H][C@]12CC[C@H](NC(=O)c3cccc(c3)S(C)(=O)=O)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27926 [H][C@]12CC[C@H](NC(=O)c3cccc4cccnc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27927 [H][C@]12CC[C@H](NC(=O)c3ccc4occc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27928 [H][C@]12CC[C@H](NC(=O)c3ccc4OCCc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27929 [H][C@]12CC[C@H](NC(=O)c3ccc4OCOc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27930 [H][C@]12CC[C@H](NC(=O)c3ccc4nc[nH]c4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27931 [H][C@]12CC[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27932 [H][C@]12CC[C@H](NC(=O)c3ccc4nonc4c3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27933 [H][C@]12CC[C@H](NC(=O)C3COc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27934 [H][C@]12CC[C@H](NC(=O)c3coc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27935 [H][C@]12CC[C@H](NC(=O)c3csc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27936 [H][C@]12CC[C@H](NC(=O)N(C)c3ccccc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27937 [H][C@]12CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27938 [H][C@]12CC[C@H](NC(=O)N(C)c3ccccn3)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27939 [H][C@]12CC[C@H](NC(=O)N3CCc4ccccc34)[C@@]1([H])N(CC2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C |r|
27940 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C |r|
27941 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cccc2ccccc12)C(C)(C)C |r|
27942 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 |r|
27943 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r|
27944 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1c(N=[N+]=[N-])c(F)c(=O)[nH]c1=O |r|
27945 Nc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
27946 CCc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
27947 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)|
27948 CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
27949 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC1)(CC2)C(O)=O |c:12|
27950 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CC2 |c:12|
27951 CC(C(O)=O)C12CCC(CC1)(CC2)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |t:22|
27952 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CCC(CC(O)=O)(CC1)CCC2 |c:12,(7.57,-6.87,;8.39,-5.6,;6.94,-5.51,;7.75,-4.15,;8.66,-2.98,;7.93,-1.62,;8.84,-.35,;10.38,-.44,;11.01,-1.8,;12.55,-1.98,;10.11,-3.07,;10.83,-4.42,;9.93,-5.69,;10.56,-7.05,;12.1,-7.23,;12.83,-8.59,;11.92,-9.86,;10.38,-9.77,;9.75,-8.32,;12.64,-11.22,;13.82,-12.03,;14.09,-13.39,;13.37,-14.66,;13.37,-16.2,;14.73,-16.93,;16,-16.2,;14.73,-18.47,;12.01,-13.94,;11.65,-12.49,;14.82,-13.94,;15.18,-12.4,;14.18,-11.22,)|
27953 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(CC(O)=O)(C3)C1)C2 |c:12,TLB:30:21:32:31.25.24,30:25:32:20.21.22,26:25:20:32.22.23,THB:24:25:20:32.22.23,24:23:20:31.30.25|
27954 CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C12CC3CC(CC(C3)(C1)C(O)=O)C2 |c:12,TLB:26:21:31:27.25.24,26:25:31:20.21.22,28:25:20:31.22.23,THB:24:25:20:31.22.23,24:23:20:27.26.25|
27955 CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O |r|
27956 CC(C)NC1CCn2c3c(cccc3[nH]c2=O)C1O
27957 CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O |r|
27958 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
27959 CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1
27960 CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
27961 Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:29.37,wD:26.30,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
27962 Nc1ncnc2n(nc(-c3ccc4nc(Cc5cccs5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:28.36,wD:25.29,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;7.59,11.42,;8.58,10.23,;7.76,8.93,;6.26,9.31,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
27963 Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccccc5Cl)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1 |r,wU:30.38,wD:27.31,(-3.15,6.99,;-3.15,5.45,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,)|
27964 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCOCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
27965 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
27966 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;5.22,-6.55,;4.55,-7.94,;6.75,-6.43,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
27967 CCOC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(3.22,-10.25,;4.55,-9.48,;4.55,-7.94,;5.22,-6.55,;6.75,-6.43,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|
27968 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;5.22,-6.55,;6.75,-6.43,;4.55,-7.94,;4.55,-9.48,;3.05,-7.6,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
27969 COCCCN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc3nc(Cc4ccccc4OC)[nH]c3c2)c2c(N)ncnc12 |r,wU:11.11,wD:14.18,(10.03,-8.85,;9.16,-7.58,;7.62,-7.7,;6.75,-6.43,;5.22,-6.55,;4.35,-5.28,;2.81,-5.4,;1.94,-4.13,;2.6,-2.74,;4.14,-2.62,;5.01,-3.89,;1.83,-1.41,;.29,-1.34,;-.41,.03,;.42,1.33,;1.96,1.26,;2.66,-.11,;-.35,2.66,;.55,3.91,;-.35,5.15,;.12,6.62,;-.85,7.81,;-.31,9.25,;1.21,9.5,;2.04,10.8,;3.53,10.41,;4.72,11.39,;6.16,10.84,;6.16,9.3,;7.49,8.53,;8.83,9.3,;8.83,10.84,;7.49,11.61,;7.49,13.15,;8.83,13.92,;3.62,8.87,;2.19,8.31,;1.64,6.87,;-1.82,4.68,;-3.15,5.45,;-3.15,6.99,;-4.48,4.68,;-4.48,3.14,;-3.15,2.37,;-1.82,3.14,)|
27970 COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC3CC3)CC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.22,-6.55,;6.75,-6.43,;8.01,-5.54,;8.15,-7.08,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
27971 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C)cc2Cl)c1
27972 C[C@H](N)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
27973 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|
27974 Nc1cnc(cn1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1
27975 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C)cc2Cl)c1
27976 C[C@H](N)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1 |r|
27977 Fc1cccc(COc2ccc(Nc3ncnc4sc(cc34)C#C[C@H]3CCCN3)cc2Cl)c1 |r|
27978 Nc1cnc(cn1)C#Cc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2s1
27979 CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
27980 COc1cc(cc(OC)c1OC)-c1nc(NCCC(C)C)ncc1C(=O)NCCOc1ccccc1
27981 COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2)ncc1C(=O)NCCOc1ccccc1
27982 COc1cc(cc(OC)c1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
27983 COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2Cl)ncc1C(=O)NCCOc1ccccc1
27984 COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2C)ncc1C(=O)NCCOc1ccccc1
27985 COc1cc(cc(OC)c1OC)-c1nc(NCc2cccc(Cl)c2)ncc1C(=O)NCCOc1ccccc1
27986 COc1ccc(CNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
27987 COc1cccc(CNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)c1
27988 COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1
27989 COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccn2)ncc1C(=O)NCCOc1ccccc1
27990 COc1cc(cc(OC)c1OC)-c1nc(NCc2cccnc2)ncc1C(=O)NCCOc1ccccc1
27991 COc1cc(cc(OC)c1OC)-c1nc(NCCc2ccccc2)ncc1C(=O)NCCOc1ccccc1
27992 COc1cc(cc(OC)c1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)CCc1ccccc1
27993 COc1ccccc1CCNc1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
27994 COc1cccc(CCNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)c1
27995 COc1ccc(CCNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
27996 COc1cc(cc(OC)c1OC)-c1nc(NCCc2ccccn2)ncc1C(=O)NCCOc1ccccc1
27997 COc1cc(cc(OC)c1OC)-c1nc(NCCc2cccnc2)ncc1C(=O)NCCOc1ccccc1
27998 COc1cc(cc(OC)c1OC)-c1nc(N[C@H](CO)Cc2ccccc2)ncc1C(=O)NCCOc1ccccc1 |r|
27999 COc1cc(cc(OC)c1OC)-c1nc(N[C@@H](CO)Cc2ccccc2)ncc1C(=O)NCCOc1ccccc1 |r|
28000 CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccccc1
28001 CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)C1CCCCC1
28002 CCN(Cc1ccccc1)c1ncc(C(=O)NCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
28003 CCN(Cc1ccccc1)c1ncc(C(=O)NCCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
28004 CCN(Cc1ccccc1)c1ncc(C(=O)NCCCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
28005 COc1ccccc1-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
28006 COc1cccc(c1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
28007 COc1ccc(cc1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
28008 CN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(cc1)C(F)(F)F
28009 COc1ccc(cc1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
28010 COc1cc(OC)cc(c1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
28011 CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(OC)nc1OC
28012 COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1
28013 COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)N1CCc2ccccc2C1
28014 COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NC(C)Cc1ccc(Cl)cc1
28015 CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
28016 CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(OC)nc1OC
28017 COc1cc(cc(OC)c1OC)-c1nc(N[C@H](CO)Cc2ccccc2)ccc1C(=O)NCCOc1ccccc1 |r|
28018 COc1ccc(c(OC)n1)-c1nc(N[C@H](CO)Cc2ccccc2)ccc1C(=O)NCCOc1ccccc1 |r|
28019 COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ccc1C(=O)NCCOc1ccccc1
28020 COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ccc1C(=O)NCCOc1ccccc1
28021 COc1cc(cc(OC)c1OC)-c1nc(NCc2cccc(Cl)c2)ccc1C(=O)NCCOc1ccccc1
28022 COc1ccc(c(OC)n1)-c1nc(NCc2cccc(Cl)c2)ccc1C(=O)NCCOc1ccccc1
28023 Nc1cc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)ccn1
28024 CN1CCN(Cc2c(N)nccc2Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)CC1
28025 NCC#Cc1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
28026 Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#CCO
28027 Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1CO
28028 Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1C#C
28029 CC(C)c1c(N)nccc1Oc1ccc(NC(=O)c2cccn(-c3ccc(F)cc3)c2=O)cc1F
28030 Nc1nccc(Oc2ccc(NC(=O)c3cccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
28031 CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
28032 CC(C)Oc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1
28033 Nc1nccc(Oc2ccc(NC(=O)c3c(OCCO)ccn(-c4ccc(F)cc4)c3=O)cc2F)c1Cl
28034 OC(=O)c1cc2c(Nc3ccc(cc3)-c3ccccc3)cncc2s1
28035 NC(=O)c1cc2c(Nc3ccc(cc3)-c3ccccc3)cncc2s1
28036 N(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1
28037 OC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1
28038 NC(=O)c1cc2c(cncc2s1)-c1cccc(c1)-c1ccccc1
28039 c1c(sc2cncc(-c3cccc(c3)-c3ccccc3)c12)-c1nnn[nH]1
28040 OC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1
28041 NC(=O)c1cc2c(Oc3ccc(cc3)-c3ccccc3)cncc2s1
28042 O(c1ccc(cc1)-c1ccccc1)c1cncc2sc(cc12)-c1nnn[nH]1
28043 Nc1ncc(-c2cccc(c2)-c2ccccc2)c2cc(sc12)C(O)=O
28044 NC(=O)c1cc2c(cnc(N)c2s1)-c1cccc(c1)-c1ccccc1
28045 OC(=O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
28046 Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCC4)cc3)c2c1 |w:11.11|
28047 Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
28048 Clc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccccc4)c3c2)c1 |w:17.17|
28049 COc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccccc4)c3c2)c1 |w:18.18|
28050 O=C1NC(=O)c2ccc(Nc3ccccc3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:19.22|
28051 Cc1ccccc1Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
28052 Cc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|
28053 Cc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:16.16|
28054 COc1ccccc1Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:19.20|
28055 COc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:18.18|
28056 COc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:17.17|
28057 O=C1NC(=O)c2ccc(Nc3ccccc3C#N)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:21.24|
28058 O=C1NC(=O)c2ccc(Nc3cccc(c3)C#N)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:21.24|
28059 O=C1NC(=O)c2ccc(Nc3ccc(cc3)C#N)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:21.24|
28060 CC(=O)c1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:19.19|
28061 CC(=O)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:18.18|
28062 Clc1ccccc1Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
28063 Clc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|
28064 Clc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:16.16|
28065 Fc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|
28066 FC(F)(F)c1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:20.20|
28067 Nc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)c1 |w:17.17|
28068 CN(C)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:18.18|
28069 NC(=O)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:18.18|
28070 CCOC(=O)c1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc1 |w:20.20|
28071 COc1cc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN5CCCCC5)cc4)c3c2)cc(c1)C(F)(F)F |w:16.16|
28072 O=C1NC(=O)c2ccc(Nc3cccc4ncccc34)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:23.27|
28073 O=C1NC(=O)c2ccc(Nc3ccc4[nH]ccc4c3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:22.26|
28074 O=C1NC(=O)c2ccc(Nc3ccc4CCCc4c3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:22.26|
28075 O=C1NC(=O)c2ccc(Nc3ccc4OCOc4c3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:22.26|
28076 CN(C)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1 |w:9.8|
28077 O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccoc1 |w:12.14|
28078 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc23)cc1 |w:12.12|
28079 CC1CN(CC(C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1 |w:13.13|
28080 CN(C)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4ccccc4)cc23)cc1 |w:9.8|
28081 COc1cccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN(C)C)cc4)c3c2)c1 |w:18.18|
28082 COc1ccc(Nc2ccc3C(=O)NC(=O)C(=CNc4ccc(CN(C)C)cc4)c3c2)cc1 |w:17.17|
28083 CN(C)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4cccc(c4)C(C)=O)cc23)cc1 |w:9.8|
28084 CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4cccc(c4)C(C)=O)cc23)cc1 |w:12.12|
28085 CC1CN(CC(C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4cccc(c4)C(C)=O)cc23)cc1 |w:13.13|
28086 CCN(CC)Cc1ccc(NC=C2C(=O)NC(=O)c3ccc(Nc4ccc(C)cc4)cc23)cc1 |w:11.10|
28087 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN(C)CCO)C#N
28088 COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
28089 COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4Cc4ccccc4)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
28090 COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
28091 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl
28092 COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Br)c3)c(cnc2cc1NCCCN(C)C)C#N
28093 COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)cc3)c(cnc2cc1NCCCN(C)C)C#N
28094 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCc4ccccc4)c(OC)cc23)C#N)cc1Cl
28095 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN4CCOCC4)c(OC)cc23)C#N)cc1Cl
28096 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(CCO)CCO)c(OC)cc23)C#N)cc1Cl
28097 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCNS(=O)(=O)c4ccccc4)c(OC)cc23)C#N)cc1Cl
28098 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(CCO)C(C)(C)C)c(OC)cc23)C#N)cc1Cl
28099 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)C)c(OC)cc23)C#N)cc1Cl
28100 CCNC(=O)N1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
28101 CCC1CCCCN1CCCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(C)c(C)n4CC)c(Cl)c3)c2cc1OC
28102 CCOC(=O)C1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
28103 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCNS(C)(=O)=O)c(OC)cc23)C#N)cc1Cl
28104 CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1
28105 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CCO)CC4)c(OC)cc23)C#N)cc1Cl
28106 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CCO)c(OC)cc23)C#N)cc1Cl
28107 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCC(O)C4)c(OC)cc23)C#N)cc1Cl
28108 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCCC4)c(OC)cc23)C#N)cc1Cl
28109 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CCOC(N)=O)CC4)c(OC)cc23)C#N)cc1Cl
28110 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CC(O)CO)c(OC)cc23)C#N)cc1Cl
28111 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(OC)cc23)C#N)cc1Cl
28112 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN(C)CCC4OCCO4)c(OC)cc23)C#N)cc1Cl
28113 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCC(O)CC4)c(OC)cc23)C#N)cc1Cl
28114 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(OCCCN4CCN(CC4)C(C)=O)c(OC)cc23)C#N)cc1Cl
28115 CCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN4CCN(C)CC4)c(OC)cc23)C#N)cc1Cl
28116 CCCn1c(C)c(C)nc1Sc1ccc(Nc2c(cnc3cc(NCCCN(C)C)c(OC)cc23)C#N)cc1Cl
28117 COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C(C)C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
28118 CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1
28119 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCCC1)C#N
28120 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1NCCCN(C)C)C#N
28121 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1N(C)CCCN(C)C)C#N
28122 COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
28123 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
28124 COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(cnc2cc1OCCCN1CCOCC1)C#N
28125 COc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N
28126 COc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC
28127 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1N1CCN(C)CC1)C#N
28128 CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
28129 NC(=O)CC[C@H](NC(=O)CN1CCC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
28130 NC(=O)CC[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1 |r|
28131 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1 |r|
28132 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccc(F)cc1 |r|
28133 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
28134 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
28135 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1Cl |r|
28136 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](C)(C(=O)OC)S(=O)(=O)c1ccccc1OC |r|
28137 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
28138 [H][C@]1(CCc2c(C1)[nH]c1ccc(Cl)cc21)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r|
28139 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(OC)c1 |r|
28140 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Cl)c1 |r|
28141 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(F)c1 |r|
28142 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccc(Br)c1 |r|
28143 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1cccnc1 |r|
28144 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccn1 |r|
28145 [H][C@@]1(Cc2[nH]c3ccc(Cl)nc3c2C1)[C@@](F)(C(=O)OC)S(=O)(=O)c1ccccc1 |r|
28146 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)NC)S(=O)(=O)c1ccccc1 |r|
28147 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(C(=O)N(C)C)S(=O)(=O)c1ccccc1 |r|
28148 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnco1)S(=O)(=O)c1ccccc1 |r|
28149 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(C)o1)S(=O)(=O)c1ccccc1 |r|
28150 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)C1CC1)S(=O)(=O)c1ccccc1 |r|
28151 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nnc(o1)N(C)C)S(=O)(=O)c1ccccc1 |r|
28152 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(C)no1)S(=O)(=O)c1ccccc1 |r|
28153 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)C(=O)OC)S(=O)(=O)c1ccccc1 |r|
28154 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)N(C)C)S(=O)(=O)c1ccccc1 |r|
28155 [H][C@@]1(Cc2[nH]c3ccc(Cl)cc3c2C1)[C@@](F)(c1nc(no1)C#N)S(=O)(=O)c1ccccc1 |r|
28156 NC(=O)c1sc(cc1OCc1ccccc1)-n1cnc2ccccc12
28157 Cc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2ccccc12
28158 Cc1cccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)c1
28159 COc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2ccccc12
28160 COc1cccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)c1
28161 COc1ccc(COc2cc(sc2C(N)=O)-n2cnc3ccccc23)cc1
28162 NC(=O)c1sc(cc1OCc1ccccc1Cl)-n1cnc2ccccc12
28163 NC(=O)c1sc(cc1OCc1cccc(Cl)c1)-n1cnc2ccccc12
28164 NC(=O)c1sc(cc1OCc1ccc(Cl)cc1)-n1cnc2ccccc12
28165 NC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2ccccc12
28166 NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccccc12
28167 NC(=O)c1sc(cc1OCc1ccccc1F)-n1cnc2ccccc12
28168 Cc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2cc(Cl)ccc12
28169 Cc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2ccc(Cl)cc12
28170 NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2cc(ccc12)C(F)(F)F
28171 NC(=O)c1sc(cc1OCc1ccccc1Br)-n1cnc2ccc(cc12)C(F)(F)F
28172 CS(=O)(=O)c1ccc2n(cnc2c1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C(N)=O
28173 CS(=O)(=O)c1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
28174 COc1ccc2n(cnc2c1)-c1cc(OCc2ccccc2C(F)(F)F)c(s1)C(N)=O
28175 COc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1
28176 COc1cc2ncn(-c3cc(OCc4ccccc4)c(s3)C(N)=O)c2cc1OC
28177 COc1cc2ncn(-c3cc(OCc4ccccc4Br)c(s3)C(N)=O)c2cc1OC
28178 COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(s3)C(N)=O)c2cc1OC
28179 COc1cc2ncn(-c3cc(OCc4ccccc4C#N)c(s3)C(N)=O)c2cc1OC
28180 COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C(N)=O)c2cc1OC
28181 COc1cc2ncn(-c3cc(OCc4ccccc4C(C)=O)c(s3)C(N)=O)c2cc1OC
28182 COc1cc2ncn(-c3cc(OCc4ccccc4OC(F)(F)F)c(s3)C(N)=O)c2cc1OC
28183 COc1ccccc1COc1cc(sc1C(N)=O)-n1cnc2cc(OC)c(OC)cc12
28184 COc1cc2ncn(-c3cc(OCc4cccc(c4)N(C)C)c(s3)C(N)=O)c2cc1OC
28185 COc1cc2ncn(-c3cc(OCc4cccc(N)c4)c(s3)C(N)=O)c2cc1OC
28186 COc1cc2ncn(-c3cc(OCc4cccc(c4)C#N)c(s3)C(N)=O)c2cc1OC
28187 COc1ccc(COc2cc(sc2C(N)=O)-n2cnc3cc(OC)c(OC)cc23)cc1
28188 COc1cc2ncn(-c3cc(OCCc4ccccc4)c(s3)C(N)=O)c2cc1OC
28189 COc1cc2ncn(-c3cc(OCCCc4ccccc4)c(s3)C(N)=O)c2cc1OC
28190 COc1cc2ncn(-c3cc(OCC4CCCC4)c(s3)C(N)=O)c2cc1OC
28191 COc1cc2ncn(-c3cc(OCC4CCCCC4)c(s3)C(N)=O)c2cc1OC
28192 COc1cc2ncn(-c3cc(OCc4cccs4)c(s3)C(N)=O)c2cc1OC
28193 COc1cc2ncn(-c3cc(OCc4ccsc4)c(s3)C(N)=O)c2cc1OC
28194 COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(s3)C(N)=O)c2cc1OC
28195 COc1cc2ncn(-c3cc(OCc4ccco4)c(s3)C(N)=O)c2cc1OC
28196 COc1cc2ncn(-c3cc(OCc4ccoc4)c(s3)C(N)=O)c2cc1OC
28197 COc1cc2ncn(-c3cc(OCc4ccncc4)c(s3)C(N)=O)c2cc1OC
28198 COc1cc2ncn(-c3cc(OCc4ccnc(Br)c4)c(s3)C(N)=O)c2cc1OC
28199 COC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2cc(OC)c(OC)cc12
28200 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(O)=O)c2cc1OC
28201 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)-c3nnn[nH]3)c2cc1OC
28202 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=S)c2cc1OC
28203 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(C)=O)c2cc1OC
28204 CNC(=O)c1sc(cc1OCc1ccccc1C(F)(F)F)-n1cnc2cc(OC)c(OC)cc12
28205 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N(C)C)c2cc1OC
28206 COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|
28207 COc1cc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2cc1OC |r|
28208 COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(s3)C(N)=O)c2c1 |r|
28209 COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(s3)C(N)=O)c2c1 |r|
28210 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CO)cc12)c1ccccc1Cl |r|
28211 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCCCN(C)C)cc12)c1ccccc1Cl |r|
28212 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC[C@@H](O)CN3CCCC3)cc12)c1ccccc1Cl |r|
28213 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
28214 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OCC3CCN(C)CC3)cc12)c1ccccc1Cl |r|
28215 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCNCC3)cc12)c1ccccc1C(F)(F)F |r|
28216 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
28217 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(OC3CCN(C)CC3)cc12)c1ccccc1Cl |r|
28218 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|
28219 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(O[C@@H]3CCCN(C)CC3)cc12)c1ccccc1Cl |r|
28220 Oc1c(ncc2cccnc12)-c1noc(n1)-c1ccccc1
28221 Oc1c(ncc2cccnc12)-c1noc(Cc2ccccc2)n1
28222 Oc1c(ncc2cccnc12)-c1noc(Cc2ccc(F)cc2)n1
28223 Oc1c(ncc2cccnc12)-c1nnc(Cc2ccccc2)[nH]1
28224 Oc1c(ncc2cccnc12)-c1nnc(Cc2ccc(F)cc2)[nH]1
28225 Oc1c(ncc2cccnc12)-c1nnc(Cc2ccc(Cl)cc2)[nH]1
28226 Oc1c(ncc2cccnc12)-c1nnc(Cc2cccc(Cl)c2)[nH]1
28227 COc1cccc(Cc2nnc([nH]2)-c2ncc3cccnc3c2O)c1
28228 COc1ccc(Cc2nnc([nH]2)-c2ncc3cccnc3c2O)cc1OC
28229 Oc1c(ncc2cccnc12)-c1nnc(CCc2ccccc2)[nH]1
28230 Oc1c(ncc2cccnc12)-c1nnc(Cc2ccncc2)[nH]1
28231 Oc1c(ncc2cccnc12)-c1nnc(Cc2cccnc2)[nH]1
28232 Oc1c(ncc2cccnc12)-c1nnc(Cc2ccccc2)o1
28233 Oc1c(ncc2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28234 Cn1nc(nc1Cc1ccc(F)cc1)-c1ncc2cccnc2c1O
28235 Cn1nc(Cc2ccc(F)cc2)nc1-c1ncc2cccnc2c1O
28236 Oc1c(ncc2cccnc12)C(=O)NCc1ccc(F)cc1
28237 Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)-c1noc(Cc2ccc(F)cc2)n1
28238 Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)[nH]1
28239 Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28240 Oc1c(nc(N2CCCC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28241 Oc1c(nc(N2CCCCC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28242 Oc1c(nc(N2CCCCCC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28243 CC(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28244 CN(C(C)=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28245 CCOC(=O)C(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28246 CN(C)C(=O)C(=O)N(C)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28247 Oc1c(nc(N2CCNCC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28248 CN(C)C(=O)N1CCN(C(=O)C1)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28249 CN1CCN(C1=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28250 Oc1c(nc(N2CCNC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28251 OCCN1CCN(C1=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28252 Oc1c(nc(N2CCOC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28253 Oc1c(nc(N2CCCNC2=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28254 Oc1c(nc(N2CCCS2(=O)=O)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28255 CS(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28256 CN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28257 CN1CCCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)S1(=O)=O
28258 CN1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)S1(=O)=O
28259 Cc1ccc(cc1)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28260 Oc1c(nc(N2CCNC(=O)C2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28261 CNc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28262 CS(=O)(=O)N1CCN(CC1)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28263 CN(C)C(=O)CN1CCN(CC1)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28264 Oc1c(nc(-c2ccccc2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28265 Oc1c(nc(-c2ccccn2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28266 Oc1c(nc(-c2cccnc2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28267 Oc1c(nc(-c2ccncc2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28268 Oc1c(nc(-c2cnccn2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28269 OC(=O)c1cccc(c1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28270 CC(C)NC(=O)c1cccc(c1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28271 Nc1cccc(c1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28272 CC(=O)Nc1cccc(c1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28273 CS(=O)(=O)Nc1cccc(c1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28274 OC(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28275 NC(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28276 CNC(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28277 CN(C)C(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28278 CC(C)NC(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28279 CN(C)S(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28280 CN(C)S(=O)(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28281 CNS(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28282 CC(C)NS(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28283 CC(C)NS(=O)(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28284 CC(=O)Nc1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28285 CS(=O)(=O)Nc1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28286 CS(=O)(=O)c1ccccc1-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28287 CS(=O)(=O)c1cccc(c1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28288 CS(=O)(=O)c1ccc(cc1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28289 Oc1c(nc(-c2ccc(cc2)C#N)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28290 Oc1c(nc(-c2ccoc2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28291 Oc1c(nc(-c2ccc[nH]2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28292 Oc1c(nc(-n2cccn2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28293 Cc1ccn(n1)-c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28294 Oc1c(nc(C#N)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28295 NC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28296 OC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28297 CNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28298 CC(C)NC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28299 OCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28300 OCCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28301 COCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28302 Oc1c(nc(C(=O)N2CCOCC2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28303 CN1CCN(CC1)C(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28304 OC1CCN(CC1)C(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
28305 Oc1c(nc(C(=O)N2CCNC(=O)C2)c2cccnc12)-c1nnc(Cc2ccc(F)cc2)o1
28306 OC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28307 CN([C@H](Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28308 CN([C@@H](Cc1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28309 OC(=O)[C@@H](Cc1ccccc1)N(CC1CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28310 OC(=O)[C@@H](Cc1ccccc1)N(CC1CCCCC1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28311 OC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28312 OC(=O)[C@@H](Cc1ccccc1)N(CCc1ccccc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28313 OC(=O)[C@@H](Cc1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28314 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28315 C[C@](Cc1ccccc1)(N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O |r|
28316 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)N1CCC(=CC1)c1ccc(Cl)cc1 |r,c:30|
28317 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(nc1)-c1ccc(Cl)cc1 |r|
28318 CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r|
28319 CC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r|
28320 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccncc1 |r|
28321 OCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r|
28322 COCC#Cc1ccc(cc1)S(=O)(=O)N(CCN1CCCC1=O)[C@@]1(C[C@H]1c1ccccc1)C(O)=O |r|
28323 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1C(=O)CCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28324 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCOC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28325 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCCC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28326 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCN1CCCOC1=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28327 COc1cccn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)c1=O |r|
28328 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1ccncc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28329 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28330 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCc1ccccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28331 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1ccnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28332 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cncn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28333 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnnc1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28334 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1nccn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28335 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1ccnn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28336 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnnn1)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28337 COC(=O)c1cn(CCN([C@@]2(C[C@H]2c2ccccc2)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cn1 |r|
28338 COC(=O)c1cncn1CCN([C@@]1(C[C@H]1c1ccccc1)C(O)=O)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28339 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2ncncc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28340 OC(=O)[C@]1(C[C@H]1c1ccccc1)N(CCn1cnc2cncnc12)S(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 |r|
28341 [H][C@]12CCCC[NH+]1CC[NH+](CCC(=O)N1c3ccccc3Sc3ccc(Cl)cc13)C2
28342 N[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(O)=O
28343 O=C(C[NH+]1CCN(CC1)c1ccccc1)Nc1ccccc1Sc1ccccc1
28344 NC(=O)C1(CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1)[NH+]1CCCCC1 |(16,-3.68,;17.33,-2.91,;16.56,-1.57,;18.66,-3.68,;20,-4.45,;20,-5.99,;18.66,-6.76,;17.89,-8.09,;18.66,-9.42,;20.2,-9.42,;17.89,-10.76,;18.66,-12.09,;20.2,-12.09,;20.97,-13.42,;20.2,-14.76,;18.66,-14.76,;17.89,-13.42,;16.35,-13.42,;15.58,-14.76,;16.35,-16.09,;15.58,-17.43,;14.04,-17.43,;13.27,-16.09,;14.04,-14.76,;17.33,-5.99,;17.33,-4.45,;19.43,-2.34,;19.43,-.8,;20.77,-.03,;22.1,-.8,;22.1,-2.34,;20.77,-3.11,)|
28345 Clc1ccc2Sc3ccccc3N(C(=O)C[NH+]3CCCCCC3)c2c1
28346 CC[NH+]1CC[NH+](CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12 |wU:8.8,(17.65,-5.9,;19.18,-6.02,;19.85,-7.41,;19.73,-8.94,;21.01,-9.81,;22.39,-9.14,;22.51,-7.61,;21.24,-6.74,;23.06,-10.53,;24.6,-10.53,;25.56,-11.73,;27.09,-11.24,;28.27,-12.32,;27.92,-13.88,;26.38,-14.34,;25.22,-13.23,;23.83,-13.9,;22.45,-13.23,;21.29,-14.34,;19.75,-13.88,;19.39,-12.32,;17.92,-11.86,;20.58,-11.24,;22.1,-11.73,)|
28347 C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12 |THB:0:1:5.4:7.8,(14.51,-5.48,;15.79,-4.74,;17.21,-5.13,;17.6,-2.22,;20.16,-.74,;19.42,.54,;16.17,-1.84,;14.72,-.36,;16,.37,;14.51,-6.96,;15.79,-7.7,;17.11,-6.91,;18.45,-7.67,;18.45,-9.21,;17.11,-9.97,;15.79,-9.18,;14.51,-9.92,;13.22,-9.18,;11.9,-9.97,;10.56,-9.21,;10.56,-7.67,;11.9,-6.91,;13.22,-7.7,)|
28348 C[C@@]12C[NH+]3C[C@@](C)(C1)C[N+](Cc1cccc(Br)c1)(C3)C2 |TLB:7:1:18:5.8.4,6:5:18:1.19.2,THB:2:3:8:1.19.7,2:1:8:3.18.4,0:1:8:3.18.4,0:1:18:5.8.4|
28349 C[NH+](CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
28350 [H][C@@]12CC=CC[C@]1([H])C(=O)N(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)C2=O |c:3|
28351 O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1Sc1ccccc1
28352 [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccc2ccccc2c1
28353 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccccc1Sc1ccccc1
28354 CC1CCCCC11NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O
28355 C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Sc1ccccc1
28356 C[NH+]1CCC[C@H](C[C@H]2Oc3ccccc3Sc3ccccc23)C1
28357 C[NH+](C)CCC[C@@H]1Sc2ccccc2Sc2ccccc12
28358 [H][C@@]12CCC[N+](C)(C)[C@@]1([H])c1cc(Cl)ccc1Sc1ccccc21
28359 C[N+]1(Cc2ccccc2)CCC(CC1)NC=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:15.16,(11.28,-8.11,;12.82,-8.11,;12.05,-6.78,;12.82,-5.44,;12.05,-4.11,;12.82,-2.77,;14.36,-2.77,;15.13,-4.11,;14.36,-5.44,;12.82,-9.65,;14.15,-10.42,;15.49,-9.65,;15.49,-8.11,;14.15,-7.34,;16.82,-10.42,;16.82,-11.96,;18.15,-12.73,;19.49,-11.96,;19.49,-10.42,;20.82,-12.73,;20.82,-14.27,;22.15,-15.04,;19.49,-15.04,;19.49,-16.58,;18.15,-17.35,;18.15,-18.89,;19.49,-19.66,;20.82,-18.89,;20.82,-17.35,;18.15,-14.27,;16.82,-15.04,)|
28360 C[NH+]1CCN(CC1)C1=N[C@@H](CC(=O)N1)C(=O)Nc1cccc(Cl)c1 |t:8|
28361 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@@H](CC1)c1cccnc1)C(F)(F)F |r,wU:15.16,1.0,wD:18.23,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;.51,.73,;.51,-.81,;1.84,-1.58,;3.18,-.81,;3.18,.73,;1.84,1.51,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28363 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,2.28,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28364 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@@H]1CC[C@H](CC#N)CC1)C(F)(F)F |r,wU:18.20,15.16,1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,2.28,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28365 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28366 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@@H]1CC[C@H](CCC#N)CC1)C(F)(F)F |r,wU:18.20,15.16,1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,-.03,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28367 CC(C)(C[C@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C#N |r,wU:7.10,22.25,wD:4.3,22.26,(1.07,2.84,;1.84,1.51,;2.61,2.84,;.51,.73,;-.82,1.5,;-.82,3.05,;-2.16,3.82,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,-.03,)|
28368 CC(C)(C[C@H]1CC[C@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C#N |r,wU:4.3,7.10,22.25,wD:22.26,(1.07,2.84,;1.84,1.51,;2.61,2.84,;.51,.73,;-.82,1.5,;-2.16,.73,;-3.49,1.5,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,-.03,)|
28369 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC2(CC2)C#N)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;1.07,2.84,;2.61,2.84,;3.18,.74,;4.51,-.03,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28370 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCC(CC(N)=O)CC1)C(F)(F)F |r,wU:1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;1.84,3.05,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28371 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CCC(N)=O)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,1.51,;3.18,-.8,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28372 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@@H]1CC[C@H](CCC(N)=O)CC1)C(F)(F)F |r,wU:18.20,15.16,1.0,wD:1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-.82,1.5,;.51,.73,;1.84,1.51,;3.18,.74,;4.51,1.51,;3.18,-.8,;-.82,3.05,;-2.16,3.82,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28373 CC(C)(C[C@H]1CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F)C(N)=O |r,wU:7.10,22.25,wD:4.3,22.26,(1.13,2.87,;1.84,1.51,;2.67,2.8,;.51,.73,;-.82,1.5,;-.82,3.05,;-2.16,3.82,;-3.49,3.05,;-3.49,1.5,;-2.16,.73,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-6.16,3.05,;-6.16,1.51,;-7.49,3.81,;-8.83,3.04,;-10.16,3.81,;-10.16,5.36,;-8.83,6.13,;-7.49,5.36,;-11.49,6.13,;-12.83,5.36,;-12.98,6.52,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,;3.18,.74,;4.51,1.51,;3.18,-.8,)|
28374 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)[C@H]1CC[C@H](CC2(CC2)C(N)=O)CC1)C(F)(F)F |r,wU:15.16,1.0,wD:18.20,1.1,(-12.83,5.36,;-11.49,6.13,;-12.98,6.52,;-10.16,5.36,;-10.16,3.81,;-8.83,3.04,;-7.49,3.81,;-7.49,5.36,;-8.83,6.13,;-6.16,3.05,;-6.16,1.51,;-4.83,3.82,;-4.83,5.36,;-5.57,6.7,;-4.03,6.67,;-3.49,3.05,;-2.16,3.82,;-.82,3.05,;-.82,1.5,;.51,.73,;1.84,1.51,;1.13,2.87,;2.67,2.8,;3.18,.74,;4.51,1.51,;3.18,-.8,;-2.16,.73,;-3.49,1.5,;-11.49,7.67,;-10.16,8.44,;-12.83,8.44,;-11.49,9.21,)|
28375 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C#N)CC1)C(F)(F)F |r|
28376 C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F |r|
28377 CCCCCCCCCn1cc2c(n1)nc[nH]c2=O
28378 CCCCCCCCCCn1cc2c(n1)nc[nH]c2=O
28379 CCCCCCCCCCCn1cc2c(n1)nc[nH]c2=O
28380 O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)c1ccccc1
28381 COc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28382 Fc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28383 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28384 O=C(Cc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28385 O=C(Nc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28386 COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
28387 Fc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
28388 FC(F)(F)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
28389 CN(C)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
28390 O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28391 O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)Nc1ccc(OCc2ccccc2)cc1
28392 O=C(NCc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
28393 CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|
28394 CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28395 NCCCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28396 COCCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28397 N[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 |r,wU:4.7,wD:1.0,(-2.78,-3.68,;-2.78,-2.14,;-1.45,-1.37,;-1.45,.17,;-2.78,.94,;-4.12,.17,;-4.12,-1.37,;-2.78,2.48,;-1.45,3.25,;-1.45,4.8,;-.12,5.57,;1.22,4.8,;1.22,3.25,;-.12,2.48,;2.55,2.48,;3.88,3.26,;5.22,2.48,;5.22,.94,;3.88,.17,;3.88,-1.37,;5.22,-2.14,;5.22,-3.68,;6.55,-4.45,;3.88,-4.45,;2.55,.94,)|
28398 CN1CCCN(CC1)c1cccc(n1)-c1cccc(\C=C\C(O)=O)c1
28399 COC(=O)\C=C\c1cccc(c1)-c1cncc(n1)N1CCCN(C)CC1
28400 CN1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(N)=O)c1
28401 CN1CCCN(CC1)c1cncc(n1)-c1cccc(CCC(O)=O)c1
28402 CN1CCCN(CC1)c1cncc(n1)-c1cccc(C=Cc2nnn[nH]2)c1 |w:19.20|
28403 CN1CCCN(CC1)c1cnccn1
28404 OC(=O)\C=C\c1cccc(c1)-c1cncc(n1)N1CCCNCC1
28405 OC(=O)\C=C\c1cccc(c1)-c1cncc(n1)N1CCCCCC1
28406 CC(=O)N1CCCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28407 CN1CCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28408 OC(=O)\C=C\c1cccc(c1)-c1cncc(n1)N1CCNCC1
28409 OC(=O)\C=C\c1cccc(c1)-c1cncc(n1)N1CCOCC1
28410 NCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28411 NCCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28412 CN(C)CCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28413 CN(C)CCCN(C)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28414 CC(=O)NCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28415 OCCCNc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28416 OC(=O)\C=C\c1cccc(c1)-c1cncc(NCC2CCNCC2)n1
28417 NCC1CCN(CC1)c1cncc(n1)-c1cccc(\C=C\C(O)=O)c1
28418 N[C@H]1CC[C@H](CC1)Nc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 |r,wD:4.7,1.0,(-2.78,-3.68,;-2.78,-2.14,;-1.45,-1.37,;-1.45,.17,;-2.78,.94,;-4.12,.17,;-4.12,-1.37,;-2.78,2.48,;-1.45,3.25,;-1.45,4.8,;-.12,5.57,;1.22,4.8,;1.22,3.25,;-.12,2.48,;2.55,2.48,;3.88,3.26,;5.22,2.48,;5.22,.94,;3.88,.17,;3.88,-1.37,;5.22,-2.14,;5.22,-3.68,;6.55,-4.45,;3.88,-4.45,;2.55,.94,)|
28419 O[C@H]1CC[C@@H](CC1)Nc1cncc(n1)-c1cccc(\C=C\C(O)=O)c1 |r,wU:4.7,wD:1.0,(-2.78,-3.68,;-2.78,-2.14,;-1.45,-1.37,;-1.45,.17,;-2.78,.94,;-4.12,.17,;-4.12,-1.37,;-2.78,2.48,;-1.45,3.25,;-1.45,4.8,;-.12,5.57,;1.22,4.8,;1.22,3.25,;-.12,2.48,;2.55,2.48,;3.88,3.26,;5.22,2.48,;5.22,.94,;3.88,.17,;3.88,-1.37,;5.22,-2.14,;5.22,-3.68,;6.55,-4.45,;3.88,-4.45,;2.55,.94,)|
28420 OC(=O)\C=C\c1cccc(c1)-c1cnccn1
28421 CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28422 C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28423 CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O
28424 CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
28425 CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O
28426 CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
28427 CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ncnc(N)c2[nH]c1=O
28428 CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28429 CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCCON)[C@@H](O)[C@H]1O
28430 CN(CCCCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28431 CN(CCON)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28432 CN(CCC(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28433 CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCC(N)=O)[C@@H](O)[C@H]1O
28434 CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12)CC(N)=O
28435 CN(CCC(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28436 CN(CCC(=O)NN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28437 CN(CCC(=O)NN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28438 CN(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12)CC(=O)NN
28439 CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN)[C@@H](O)[C@H]1O
28440 CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
28441 CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28442 CN(CCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28443 CN(CCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28444 CNCCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(NC)nc2c(N)ncnc12
28445 CNCCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(nc2c(N)ncnc12)-c1ccccc1
28446 CNCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28447 CNCCNC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28448 CN(CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28449 CCc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCCN)[C@@H](O)[C@H]1O
28450 [#6]-[#7](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12
28451 CN(CCC(=N)NO)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28452 CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28453 CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28454 C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(C)nc2c(N)ncnc12
28455 C[S+](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
28456 CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(O)=O |r|
28457 CC(C)[C@H](NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(O)=O |r|
28458 CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(=O)(=O)C(C)C)ccc3c2c1)C(O)=O |r|
28459 CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(=O)(=O)c4c(C)noc4C)ccc3c2c1)C(O)=O |r|
28460 CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(=O)(=O)c4ccccc4)ccc3c2c1)C(O)=O |r|
28461 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NS(C)(=O)=O)cc21)C(O)=O |r|
28462 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NS(=O)(=O)CC(F)(F)F)cc21)C(O)=O |r|
28463 COC(=O)Nc1ccc2c(c1)oc1ccc(cc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r|
28464 CCCOC(=O)Nc1ccc2c(c1)oc1ccc(cc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r|
28465 CC(C)OC(=O)Nc1ccc2c(c1)oc1ccc(cc21)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r|
28466 CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NC(=O)Oc4ccccc4)ccc3c2c1)C(O)=O |r|
28467 COC(=O)Nc1cc2oc3ccc(cc3c2cc1Br)S(=O)(=O)N[C@H](C(C)C)C(O)=O |r|
28468 COC(=O)Nc1cc2oc3ccc(cc3c2cc1Br)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
28469 COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
28470 CCOC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
28471 CCCOC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
28472 CC(C)COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
28473 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)OCCF)cc21)C(O)=O |r|
28474 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccccc3)cc21)C(O)=O |r|
28475 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccccc3Cl)cc21)C(O)=O |r|
28476 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccc(F)cc3)cc21)C(O)=O |r|
28477 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Oc3ccc(C)cc3)cc21)C(O)=O |r|
28478 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(N)=O)cc21)C(O)=O |r|
28479 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NC3CCCC3)cc21)C(O)=O |r|
28480 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)Nc3ccsc3)cc21)C(O)=O |r|
28481 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(NC(=O)NCCc3cccs3)cc21)C(O)=O |r|
28482 COC(=O)Nc1ccc2c(c1)oc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|
28483 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(NC(=O)OCCF)ccc21)C(O)=O |r|
28484 CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1cc(NC(=O)Oc3ccc(F)cc3)ccc21)C(O)=O |r|
28485 CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
28486 CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r|
28487 CC(C)[C@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r|
28489 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
28490 Clc1cc(Nc2ncnc3cc(sc23)C#C[C@@H]2C[C@H](CN2)OC(=O)N2CCOCC2)ccc1OCc1ccccn1 |r|
28491 Clc1cc(Nc2ncnc3cc(sc23)C#C[C@@H]2C[C@H](CN2)OC(=O)N2CCOCC2)ccc1OCc1cscn1 |r|
28492 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cn2)c1 |r|
28493 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4c(Oc5ccccn5)cccc4c3)c2s1)N1CCOCC1 |r|
28494 Clc1cc(Nc2ncnc3cc(sc23)C#C[C@@H]2C[C@H](CN2)OC(=O)N2CCOCC2)ccc1Oc1ccccn1 |r|
28495 Cc1cc(Oc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)no1 |r|
28496 Fc1ccc2nccc(Oc3ccc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)cc3Cl)c2c1 |r|
28497 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(NCc3cccc(Oc4ccccc4)c3)c2s1)N1CCOCC1 |r|
28498 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(Cc4ccccc4)cc3)c2s1)N1CCOCC1 |r|
28499 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(Sc4ccccn4)cc3)c2s1)N1CCOCC1 |r|
28500 Fc1cccc(Sc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
28501 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2s1)N1CCOCC1 |r|
28502 Fc1cccc(Cn2ncc3cc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)ccc23)c1 |r|
28503 Fc1ccc(F)c(Cn2ncc3cc(Nc4ncnc5cc(sc45)C#C[C@@H]4C[C@H](CN4)OC(=O)N4CCOCC4)ccc23)c1 |r|
28504 CC(c1cccc(F)c1)n1ncc2cc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)ccc12 |r|
28505 Fc1cccc(c1)S(=O)(=O)n1ncc2cc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)ccc12 |r|
28506 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(ccc4c3)S(=O)(=O)c3cccs3)c2s1)N1CCOCC1 |r|
28507 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5ccccc5)ccc4c3)c2s1)N1CCOCC1 |r|
28508 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(CCc5ccccc5)ccc4c3)c2s1)N1CCOCC1 |r|
28509 O=C(O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc4n(Cc5cscn5)ccc4c3)c2s1)N1CCOCC1 |r|
28510 Fc1cn(Cc2ccccc2)c2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc12 |r|
28511 NC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28512 CNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28513 CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28514 CN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28515 CCN(CC)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28516 CCN(C)C(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28517 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCCC3)cc2Cl)c1 |r|
28518 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@H](CN3)OC(=O)N3CCNCC3)cc2Cl)c1 |r|
28519 CS(=O)(=O)CCNC(=O)O[C@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28520 CCNC(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28521 CN(C)C(=O)O[C@@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28522 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
28523 CCNC(=O)O[C@@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28524 CN(C)C(=O)O[C@@H]1CN[C@@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28525 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@@H]3C[C@@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
28526 CCNC(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28527 CN(C)C(=O)O[C@H]1CN[C@H](C1)C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1 |r|
28528 Fc1cccc(COc2ccc(Nc3ncnc4cc(sc34)C#C[C@H]3C[C@H](CN3)OC(=O)N3CCOCC3)cc2Cl)c1 |r|
28529 CCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
28530 CC(C)OC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
28531 CCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
28532 CCCCOC(=O)C1=CN(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:7|
28533 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
28534 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1 |t:5|
28535 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1 |t:5|
28536 CCOC(=O)C1=CN(CC(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5|
28537 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:5|
28538 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:5|
28539 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(Cl)cc1 |t:5|
28540 CCOC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OC)cc1 |t:5|
28541 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)cc1 |t:6|
28542 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 |t:6|
28543 CNc1nc2cc(nn2c2n(C)cnc12)-c1ccccc1
28544 CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1
28545 CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1
28546 CNc1nc2n(C)c(nc2c2n(C)cnc12)-c1ccccc1
28547 CNc1nc2sc(SC)nc2c2n(C)cnc12
28548 CNc1nc2sc(nc2c2n(C)cnc12)S(C)(=O)=O
28549 CNc1nc2c(nc(NC)c3ncn(C)c23)s1
28550 CNc1nc2sc(NCc3ccccc3)nc2c2n(C)cnc12
28551 CNc1nc2sc(NCCO)nc2c2n(C)cnc12
28552 CNc1nc2sc(nc2c2n(C)cnc12)N1CCC=CC1 |c:21|
28553 CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCC1
28554 CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCCC1
28555 CNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
28556 CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
28557 CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NC1CCCC1
28558 CCN(CC)C(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
28559 CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NCc1cccs1
28560 CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
28561 CCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
28562 Cn1cnc2c(N)nc3sc(nc3c12)-c1ccc(F)cc1
28563 CC(=O)NCCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
28564 Cn1cnc2c(NCCNCCO)nc3sc(nc3c12)-c1ccc(F)cc1
28565 Cn1cnc2c(NCCN3CCCCC3)nc3sc(nc3c12)-c1ccc(F)cc1
28566 CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNC(C)=O)c1
28567 CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1
28568 CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1
28569 CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1
28570 CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2ccno2)c1
28571 CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1
28572 NCCC(=O)Nc1cccc2n(ncc12)S(=O)(=O)c1cccc2ccccc12
28573 NCCC(=O)Nc1ccc2n(ncc2c1)S(=O)(=O)c1cccc2ccccc12
28574 NCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
28575 CNCCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
28576 CN(C)CCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
28577 CCN(CC)CCC(=O)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
28578 O=C(CCN1CCCCC1)Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12
28579 O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCNCC1
28580 O=C(Nc1ccc2cnn(c2c1)S(=O)(=O)c1cccc2ccccc12)C1CCCNC1
28581 O=S(=O)(c1cccc2ccccc12)n1ncc2ccc(NCC3CCNCC3)cc12
28582 COc1cc(CC(C)N)c(OC)cc1I
28583 COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
28584 Cc1c(OCc2ccccc2)cccc1N1CCNCC1
28585 Cc1c(OCc2cccc(F)c2)cccc1N1CCNCC1
28586 Cc1c(OCc2cccc(Cl)c2)cccc1N1CCNCC1
28587 Cc1c(OCc2cccc(c2)C#N)cccc1N1CCNCC1
28588 Cc1c(OCc2ccccc2F)cccc1N1CCNCC1
28589 Cc1c(OCc2ccc(F)c(F)c2)cccc1N1CCNCC1
28590 Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1N1CCNCC1
28591 Cc1c(OCc2cccnc2)cccc1N1CCNCC1
28592 C[C@H](Oc1cccc(N2CCNCC2)c1C)c1ccccc1 |r|
28593 C[C@@H](Oc1cccc(N2CCNCC2)c1C)c1ccccc1 |r|
28594 Cc1c(OCc2cccc(F)c2)cccc1C1CCNCC1
28595 Cc1c(OCc2cccc(Cl)c2)cccc1C1CCNCC1
28596 Cc1c(OCc2cccc(c2)C#N)cccc1C1CCNCC1
28597 Cc1cccc(COc2cccc(C3CCNCC3)c2C)c1
28598 Cc1c(OCc2ccc(F)c(F)c2)cccc1C1CCNCC1
28599 Cc1c(OCc2ccc(Cl)c(Cl)c2)cccc1C1CCNCC1
28600 Cc1c(OCc2cccnc2)cccc1C1CCNCC1
28601 C[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(F)c1 |r|
28602 C[C@@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(F)c1 |r|
28603 C[C@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
28604 C[C@@H](Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
28605 CCC(Oc1cccc(C2CCNCC2)c1C)c1cccc(Cl)c1
28606 Cc1c(OCc2cccc(Cl)c2)cccc1C1(O)CCNCC1
28607 Cc1c(OCc2cccc(Cl)c2)nccc1C1CCNCC1
28608 Cc1c(OCc2cccc(F)c2)nccc1C1CCNCC1
28609 Cc1c(OCc2cccc(c2)C(F)(F)F)nccc1C1CCNCC1
28610 Cc1c(OCc2ccccc2Cl)nccc1C1CCNCC1
28611 Cc1c(OCc2ccc(Cl)cc2)nccc1C1CCNCC1
28612 Cc1c(OCc2ccccc2F)nccc1C1CCNCC1
28613 Cc1c(OCc2ccc(F)cc2)nccc1C1CCNCC1
28614 Cc1c(OCc2ccc(F)cc2F)nccc1C1CCNCC1
28615 C[C@H](Oc1nccc(C2CCNCC2)c1C)c1ccccc1 |r|
28616 C[C@@H](Oc1nccc(C2CCNCC2)c1C)c1ccccc1 |r|
28617 C[C@H](Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
28618 C[C@@H](Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1 |r|
28619 CCC(Oc1nccc(C2CCNCC2)c1C)c1cccc(Cl)c1
28620 Cc1c(OC(c2cccc(Cl)c2)C(F)(F)F)nccc1C1CCNCC1
28621 Cc1c(OC(c2cccc(F)c2)C(F)(F)F)nccc1C1CCNCC1
28622 Cc1c(OCc2cccc(F)c2)nccc1C1(O)CCNCC1
28623 Cc1c(COc2cccc(Cl)c2)cccc1C1CCNCC1
28624 Cc1c(COc2cccc(F)c2)cccc1C1CCNCC1
28625 Cc1c(OS(=O)(=O)c2ccccc2)cccc1C1CCNCC1
28626 Cc1c(OS(=O)(=O)c2cccc(Cl)c2)cccc1C1CCNCC1
28627 Cc1c(OS(=O)(=O)c2cccc(F)c2)cccc1C1CCNCC1
28628 Cc1c(OS(=O)(=O)c2ccccc2Cl)cccc1C1CCNCC1
28629 Cc1c(OS(=O)(=O)c2ccc(Cl)cc2)cccc1C1CCNCC1
28630 Cc1c(OS(=O)(=O)c2ccccc2F)cccc1C1CCNCC1
28631 Cc1ccccc1S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
28632 Cc1cccc(c1)S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
28633 Cc1ccc(cc1)S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
28634 CCc1ccc(cc1)S(=O)(=O)Oc1cccc(C2CCNCC2)c1C
28635 Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1
28636 Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1
28637 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc3OCOc3c1)c2=O
28638 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
28639 CCCCNC(=O)Cn1ccc2c(OC(C)C(=O)OCC)cccc2c1=O
28640 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NC1CCCCC1)c2=O
28641 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccccc1)c2=O
28642 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccc(F)cc1)c2=O
28643 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCc1ccco1)c2=O
28644 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)NCCc1ccccc1)c2=O
28645 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(cc1)[N+]([O-])=O)c2=O
28646 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(C)cc1)c2=O
28647 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(OC)cc1)c2=O
28648 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c2=O
28649 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(OCC)cc1)c2=O
28650 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc(CC)cc1)c2=O
28651 CCCCc1ccc(NC(=O)Cn2ccc3c(OC(C)C(=O)OCC)cccc3c2=O)cc1
28652 CCC(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
28653 CCCCC(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
28654 CCOC(=O)C(C)(C)Oc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
28655 CCCCOc1cccc2c1ccn(CC(=O)Nc1ccc3OCCOc3c1)c2=O
28656 CCOC(=O)C(C)Oc1cccc2c1ccn(CCC(=O)Nc1ccc3OCCOc3c1)c2=O
28657 CCOC(=O)C(C)Oc1cccc2c1ccn(C(C)C(=O)Nc1ccc3OCCOc3c1)c2=O
28658 CCOC(=O)C(C)Oc1cccc2c1ccn(C(Cc1ccccc1)C(=O)Nc1ccc3OCCOc3c1)c2=O
28659 CCOC(=O)C(C)Oc1cccc2c1ccn(CC(=O)N(C)c1ccc3OCCOc3c1)c2=O
28660 CCOC(=O)C(C)Oc1ccc2c(ccn(CC(=O)Nc3ccc4OCCOc4c3)c2=O)c1
28661 Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
28662 CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(O)=O
28663 OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
28664 Cc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c1C(O)=O
28665 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc3C2)c(c1)C(O)=O
28666 OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
28667 OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
28668 OC(=O)c1cc(F)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
28669 OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)C(F)(F)F
28670 OC(=O)c1ccc(Br)cc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
28671 Cc1cccc(C(O)=O)c1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
28672 COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28673 OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(O)cccc2C1
28674 OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O
28675 OC(=O)COc1cccc2CN(CCc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28676 COc1ccc2CN(CCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28677 OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(F)cc2C1
28678 OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccc(Cl)cc2C1
28679 Cc1c(Cl)ccc2CCN(Cc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28680 CCCCCCCN(CCc1ccc(OC(C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
28681 CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
28682 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3c(C)cccc23)c(c1)C(O)=O
28683 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3c(Br)cccc23)c(c1)C(O)=O
28684 COc1cccc2n(ccc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
28685 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cc(C)ccc23)c(c1)C(O)=O
28686 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cc(Cl)ccc23)c(c1)C(O)=O
28687 COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
28688 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(C)cc23)c(c1)C(O)=O
28689 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3ccc(Cl)cc23)c(c1)C(O)=O
28690 COc1ccc2ccn(c2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
28691 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cccc(C)c23)c(c1)C(O)=O
28692 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cccc(Cl)c23)c(c1)C(O)=O
28693 COc1cccc2ccn(c12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
28694 COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(C)cc1C(O)=O
28695 COc1cccc2n(ccc12)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28696 COc1ccc2n(ccc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28697 COc1ccc2ccn(c2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28698 COc1ccc2n(ccc2c1C)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1C(O)=O
28699 CC(C)(Oc1ccc(Cl)cc1)C(O)=O
28700 CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
28701 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
28702 Cc1nc(sc1CCc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
28703 Cc1nc(sc1CCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28704 Cc1nc(sc1C(=O)Nc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28705 Cc1nc(sc1CNCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28706 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28707 CN(Cc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)c1sc(nc1C)-c1ccc(cc1)C(F)(F)F
28708 Cc1nc(sc1CNC(=O)c1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28709 Cc1nc(sc1C(=O)NCCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28710 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(C)(C)C
28711 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(OC(F)(F)F)cc1
28712 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Cl)cc1
28713 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)[N+]([O-])=O
28714 COc1ccc(cc1)-c1nc(C)c(s1)C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1
28715 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(F)cc1
28716 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1
28717 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1cccc(c1)C(F)(F)F
28718 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1C(F)(F)F
28719 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(N)cc1
28720 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(OS(C)(=O)=O)cc1
28721 Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(O)cc1
28722 Cc1sc(nc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
28723 CC(C)(Oc1ccc(CNC(=O)c2sc(nc2C(F)(F)F)-c2ccc(cc2)C(F)(F)F)cc1)C(O)=O
28724 Cc1cc(SCC(=C)COc2ccccc2)ccc1OCC(O)=O
28725 Cc1cc(SCC(=C)COc2ccc(Cl)cc2)ccc1OCC(O)=O
28726 Cc1cc(SCC(=C)COc2ccc(Cl)c(Cl)c2)ccc1OCC(O)=O
28727 Cc1cc(SCC(=C)COc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28728 Cc1cc(SCC(=C)COc2ccc(Cl)c(c2)C(F)(F)F)ccc1OCC(O)=O
28729 COc1ccc(OCC(=C)CSc2ccc(OCC(O)=O)c(C)c2)cc1
28730 CN(C)c1ccc(OCC(=C)CSc2ccc(OCC(O)=O)c(C)c2)cc1
28731 Cc1cc(SCC(=C)COc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
28732 Cc1cc(SCC(=C)COc2ccc(OC(F)(F)F)cc2)ccc1OCC(O)=O
28733 Cc1cc(SCC(=C)CNc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28734 Cc1cc(SCC(=C)CSc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28735 Cc1cc(SCC(=C)CCc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28736 OC(=O)COc1ccc(SCC(=C)COc2ccc(cc2)C(F)(F)F)cc1Cl
28737 OC(=O)COc1ccc(SCC(=C)COc2ccc(cc2)C(F)(F)F)cc1C(F)(F)F
28738 COc1cc(SCC(=C)COc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28739 OC(=O)COc1ccc(SCC(=C)COc2ccc(cc2)C(F)(F)F)c(Cl)c1
28740 Cc1cc(OCC(=C)COc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28741 [#6]-c1cc(-[#16]-[#6]\[#6](-[#6]-[#8]-c2ccc(cc2)C(F)(F)F)=[#6](/F)F)ccc1-[#8]-[#6]-[#6](-[#8])=O
28742 Cc1cc(SC\C(COc2ccc(cc2)C(F)(F)F)=C\c2ccccc2)ccc1OCC(O)=O
28743 Cc1cc(SC\C(COc2ccc(cc2)C(F)(F)F)=C\C#N)ccc1OCC(O)=O
28744 Cc1cc(SCC(F)(F)COc2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28745 Cc1cc(SCC2(COc3ccc(cc3)C(F)(F)F)OCCCO2)ccc1OCC(O)=O
28746 [#6]\[#6](-[#6])=[#6](/[#6]-[#8]-c1ccc(cc1)C(F)(F)F)-[#6]-[#16]-c1ccc(-[#8]-[#6]-[#6](-[#8])=O)c(-[#6])c1
28747 Cc1cc(SCC2(COc3ccc(cc3)C(F)(F)F)CC2)ccc1OCC(O)=O
28748 CCCC(CCC)(COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
28749 Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
28750 Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
28751 Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
28752 Cc1cc(SCc2nc(ns2)-c2ccc(Cl)cc2)ccc1OC(C)(C)C(O)=O
28753 Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
28754 Cc1cc(SCc2nsc(n2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
28755 Cc1cc(SCc2nsc(n2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
28756 Cc1cc(OCc2nc(ns2)-c2ccc(cc2)C(F)(F)F)ccc1OC(C)(C)C(O)=O
28757 Cc1cc(OCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC(C)(C)C(O)=O
28758 Cc1cc(SCc2nc(ns2)-c2ccc(OC(F)(F)F)cc2)ccc1OC1(CCCC1)C(O)=O
28759 OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
28760 OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
28762 CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
28763 CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
28764 OC(=O)Cc1ccc(-c2noc(c2C(=O)NCCOc2ccc(Cl)cc2Cl)-c2ccccc2)c(Cl)c1
28765 OC(=O)Cc1ccc(OCc2noc(c2C(=O)NCCOc2ccc(Cl)cc2Cl)-c2ccccc2)c(Cl)c1
28766 OC(=O)Cc1ccc(cc1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
28767 OC(=O)c1ccc(cc1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
28768 Cc1cc(ccc1OCC(O)=O)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
28769 OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
28770 OC(=O)CCc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
28771 COc1ccc(CC(O)=O)cc1-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1
28772 CC(C)c1onc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1cccc(CC(O)=O)c1
28773 OC(=O)Cc1cccc(c1)-c1noc(-c2ccco2)c1C(=O)NCCOc1ccc(Cl)cc1Cl
28774 Cc1ccccc1-c1onc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1cccc(CC(O)=O)c1
28775 OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1ccc(Cl)cc1Cl)-c1ccccc1Cl
28776 CO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28777 CCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28778 CCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28779 CC(C)CO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28780 CCCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28781 C\C(=N/OCC1CC1)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28782 CC\C(=N/OC)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28783 CCO\N=C(/CC)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28784 C\C(=N/OCc1ccc(F)cc1)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28785 C\C(=N\OCc1ccc(F)cc1)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28786 CCO\N=C(/C)C(Cc1ccc(OCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28787 CCCO\N=C(/C)C(Cc1ccc(OCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
28788 CCO\N=C(/C)C(Cc1ccc(OCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
28789 CCCO\N=C(/C)C(Cc1ccc(OCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
28790 C\C(=N/OCCF)C(Cc1ccc(OCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
28791 CCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
28792 CCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
28793 C\C(=N/OCCF)C(Cc1ccc(OCCc2nc(oc2C)-c2ccc(F)cc2)cc1)C(O)=O
28794 CCO\N=C(/C)C(Cc1ccc(OCc2nc(oc2C)C(C)C)cc1)C(O)=O
28795 CCCO\N=C(/C)C(Cc1ccc(OCc2nc(oc2C)C(C)C)cc1)C(O)=O
28796 CCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)C(C)C)cc1)C(O)=O
28797 CCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)C(C)C)cc1)C(O)=O
28798 CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r|
28799 CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
28800 COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
28802 COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
28803 CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O
28804 Cc1cc(Nc2ccccc2F)n2ncnc2n1
28805 Cc1cc(Nc2ccccc2Cl)n2ncnc2n1
28806 Cc1cc(Nc2ccccc2C)n2ncnc2n1
28807 Cc1cc(Nc2ccccc2C(F)(F)F)n2ncnc2n1
28808 Cc1cc(Nc2ccccc2C#N)n2ncnc2n1
28809 Cc1cc(Nc2cccc(F)c2)n2ncnc2n1
28810 Cc1cc(Nc2cccc(Cl)c2)n2ncnc2n1
28811 Cc1cccc(Nc2cc(C)nc3ncnn23)c1
28812 Cc1cc(Nc2cccc(c2)C(F)(F)F)n2ncnc2n1
28813 Cc1cc(Nc2ccc(F)cc2)n2ncnc2n1
28814 Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1
28815 Cc1cc(Nc2ccc(Br)cc2)n2ncnc2n1
28816 Cc1ccc(Nc2cc(C)nc3ncnn23)cc1
28817 Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2ncnc2n1
28818 COc1ccc(Nc2cc(C)nc3ncnn23)cc1
28819 Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1
28820 Cc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1
28821 Cc1cc(Nc2ccc(cc2)[N+]([O-])=O)n2ncnc2n1
28822 Cc1cc(Nc2ccc(cc2)-c2ccccc2)n2ncnc2n1
28823 Cc1cc(Nc2ccc(Cc3ccccc3)cc2)n2ncnc2n1
28824 Cc1cc(Nc2cccc(F)c2F)n2ncnc2n1
28825 Cc1cc(Nc2cc(F)ccc2F)n2ncnc2n1
28826 Cc1cc(Nc2c(F)cccc2F)n2ncnc2n1
28827 Cc1cc(Nc2ccc(F)c(F)c2F)n2ncnc2n1
28828 Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1
28829 Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1
28830 Cc1cc(Nc2c(F)c(F)cc(F)c2F)n2ncnc2n1
28831 Cc1cc(Nc2c(F)c(F)c(F)c(F)c2F)n2ncnc2n1
28832 Cc1ccc(Nc2cc(C)nc3ncnn23)c(F)c1
28833 Cc1cc(Nc2ccc(F)c(F)c2)n2ncnc2n1
28834 Cc1cc(Nc2cc(F)cc(F)c2)n2ncnc2n1
28835 Cc1cc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n2ncnc2n1
28836 Cc1cc(Nc2ccc(F)c(C)c2)n2ncnc2n1
28837 Cc1cc(Nc2ccc(Cl)c(c2)C(F)(F)F)n2ncnc2n1
28838 Cc1cc(Nc2ccc(Br)c(c2)C(F)(F)F)n2ncnc2n1
28839 Cc1cc(Nc2ccc(C)c(c2)C(F)(F)F)n2ncnc2n1
28840 Cc1cc(Nc2ccc(C)c(C)c2)n2ncnc2n1
28841 Cc1cc(Nc2ccc(C#N)c(c2)C(F)(F)F)n2ncnc2n1
28842 Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1
28843 Cc1cc(Nc2ccc(c(F)c2)C(F)(F)F)n2ncnc2n1
28844 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C1=O
28845 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2Cl)[N+]([O-])=O)C1=O
28846 OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Br)cc2)C1=O)C(O)=O
28847 OC(=O)CCC(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C1=O)C(O)=O
28848 OC(=O)C(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C1=O)c1ccccc1
28849 OC(=O)C(N1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
28850 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)C1=O
28851 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
28852 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)c(Cl)c2)C1=O
28853 OS(=O)(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
28854 OC(=O)C(N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O)c1ccccc1
28855 Clc1cccc(-c2ccc(\C=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2)c1Cl
28856 Clc1ccc(-c2ccc(\C=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)o2)c(Cl)c1
28857 Clc1ccc(Cl)c(c1)-c1ccc(\C=C2/SC(=S)N(CC3CCCO3)C2=O)o1
28858 Cc1nc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c(C)o1
28859 CC(C)(C)OC(=O)N1CCC(CC1)c1nc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cs1
28860 Cc1nc(c(\C=C2/SC(=S)N(CC(O)=O)C2=O)s1)-c1ccccc1
28861 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccco2)C1=O
28862 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccccc2)C1=O
28863 Cc1ccc(cc1)-c1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)no1
28864 COc1ccc(cc1)-c1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)no1
28865 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccc(Cl)cc2)C1=O
28866 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccc(F)cc2)C1=O
28867 OC(=O)CN1C(=S)S\C(=C/c2cc(on2)-c2ccc(Br)cc2)C1=O
28868 OC(=O)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccc(cc2)C(F)(F)F)C1=O |w:9.9|
28869 OC(=O)CN1C(=S)SC(=Cc2cc(n[nH]2)-c2ccc(Cl)cc2)C1=O |w:9.9|
28870 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
28871 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccccc2)-c2ccccc2)C1=O
28872 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCOCC2)-c2ccccc2)C1=O
28873 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2cccnc2)-c2ccc(F)cc2F)C1=O
28874 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(F)cc2)-c2ccc(F)cc2)C1=O
28875 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)C1=O
28876 OC(=O)CN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccc(Br)cc2)C1=O
28877 COc1ccc(cc1C)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
28878 CCOc1ccc(-c2nn(cc2\C=C2/SC(=S)N(CC(O)=O)C2=O)-c2ccccc2)c(C)c1
28879 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)-c2ccccc2)C1=O
28880 CC1Cc2cc(ccc2O1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
28881 COc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CCS(O)(=O)=O)C1=O)-c1ccccc1
28882 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)C1=O
28883 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCOCC2)-c2ccccc2)C1=O
28884 OS(=O)(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2ccc(cc2)S(=O)(=O)N2CCCCC2)-c2ccccc2)C1=O
28885 O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cn(nc1-c1ccccc1)-c1ccccc1
28886 Clc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
28887 CCOc1ccc(cc1F)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
28888 OC(=O)CN1C(=S)S\C(=C/c2sc(Br)c3OCCOc23)C1=O
28889 OC(=O)CN1C(=S)S\C(=C/c2ccc(s2)N2CCOCC2)C1=O
28890 OC(=O)CN1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
28891 OC(=O)CN1C(=S)S\C(=C/c2cccc(c2)N2CCCC2)C1=O
28892 CN1CCCN(CC1)c1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
28893 OC(=O)CN1C(=S)S\C(=C/c2cccc(c2)-n2cccn2)C1=O
28894 OC(=O)CN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O
28895 Cc1ccc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2n1
28896 OC(=O)CN1C(=S)S\C(=C/c2cccc3c4ccccc4oc23)C1=O
28897 OC(=O)CN1C(=S)S\C(=C/c2cccc(Br)n2)C1=O
28898 OC(=O)CN1C(=S)S\C(=C/c2csc3ccccc23)C1=O
28899 OC(=O)CN1C(=S)S\C(=C/c2csc3ccc(Br)cc23)C1=O
28900 OC(=O)CN1C(=S)S\C(=C/c2cc3nccnc3s2)C1=O
28901 OC(=O)CN1C(=S)S\C(=C/c2c[nH]c3ccccc23)C1=O
28902 OC(=O)CN1C(=S)S\C(=C/c2c[nH]c3ccc(Br)cc23)C1=O
28903 OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc12
28904 Cc1cccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CC(O)=O)C3=O)c3ccccc23)c1
28905 SCCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
28906 SCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
28907 OCC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
28908 CC(=O)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
28909 SCC(=O)Nc1cc(n[nH]1)-c1ccccc1
28910 Fc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1
28911 SCC(=O)Nc1cc(n[nH]1)-c1ccc(Br)cc1
28912 FC(F)(F)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1
28913 [O-][N+](=O)c1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1
28914 Cc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1
28915 COc1ccc(cc1)-c1cc(NC(=O)CS)[nH]n1
28916 SCC(=O)Nc1cc(n[nH]1)-c1ccccc1Cl
28917 SCC(=O)Nc1cc(n[nH]1)-c1cccc(Cl)c1
28918 FC(F)(F)c1ccccc1-c1cc(NC(=O)CS)[nH]n1
28919 FC(F)(F)c1cccc(c1)-c1cc(NC(=O)CS)[nH]n1
28920 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28921 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1 |r|
28922 OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r|
28923 CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28924 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 |r|
28925 CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 |r|
28926 OC[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(CC(F)(F)F)CC(F)(F)F |r|
28927 OC[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(C(F)(F)F)C(F)(F)F |r|
28928 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1 |r|
28929 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1Cl |r|
28930 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(F)cc1 |r|
28931 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C#N |r|
28932 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C)cc1 |r|
28933 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
28934 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)C(C)=O |r|
28935 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |r|
28936 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |r|
28937 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(OC(C)(F)F)cc1 |r|
28938 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 |r|
28939 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(F)c1 |r|
28940 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cccc(Cl)c1Cl |r|
28941 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 |r|
28942 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1Cl |r|
28943 CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1 |r|
28944 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O |r|
28945 CC[C@H](C)[C@@H](CO)NS(=O)(=O)Nc1ccc(Cl)cc1 |r|
28946 CC[C@H](C)[C@@H](CO)NC(=O)c1ccc(Cl)cc1 |r|
28947 CC[C@H](C)[C@@H](CO)NCc1ccc(Cl)cc1 |r|
28948 CC[C@H](C)[C@@H](CO)NC(=O)Cc1ccc(Cl)cc1 |r|
28949 CC[C@H](C)[C@@H](CO)NC(=O)Nc1ccc(Cl)cc1 |r|
28950 C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28951 CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28952 CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28953 CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28954 CC(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28955 CC[C@@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 |r|
28956 OC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 |r|
28957 OC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |r|
28958 CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)O |r|
28959 CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)(C)O |r|
28960 CCCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28961 CCOC(=O)N1CCC(CC1)(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
28962 OC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:2.1,wD:5.8,(6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28963 OC(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:4.3,wD:7.10,(6.8,3.37,;6.8,4.91,;8.13,5.68,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28964 NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:2.1,wD:5.8,(6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28965 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CI)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28966 CNC(=O)OC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:6.5,wD:9.12,(10.8,5.68,;9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28967 CC(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28968 NC(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28969 COC(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:6.5,wD:9.12,(10.8,5.68,;9.47,4.91,;8.13,5.68,;8.13,7.22,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28970 CCNS(=O)(=O)NC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:8.7,wD:11.14,(12.14,4.91,;10.8,5.68,;9.47,4.91,;8.13,5.68,;7.05,6.77,;8.9,7.02,;6.8,4.91,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28971 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CN2C(=O)CCC2=O)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;8.24,5.45,;8.65,6.94,;9.2,4.25,;8.35,2.96,;6.87,3.37,;5.66,2.41,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28972 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)C2CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.9,7.02,;9.67,5.68,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28973 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)C(F)(F)F)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;9.47,6.45,;7.36,7.02,;8.9,4.35,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28974 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.13,7.22,;9.47,7.99,;10.8,7.22,;10.8,5.68,;9.47,4.91,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28975 Oc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.11,wD:14.18,(9.47,3.37,;9.47,4.91,;10.8,5.68,;10.8,7.22,;9.47,7.99,;8.13,7.22,;8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28976 COc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:12.12,wD:15.19,(10.8,2.6,;9.47,3.37,;9.47,4.91,;10.8,5.68,;10.8,7.22,;9.47,7.99,;8.13,7.22,;8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28977 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)c2ccccn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.13,7.22,;9.47,7.99,;10.8,7.22,;10.8,5.68,;9.47,4.91,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28978 NS(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(8.13,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28979 CN(C)S(=O)(=O)C[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:7.6,wD:10.13,(8.13,7.22,;8.13,5.68,;9.47,4.91,;6.8,4.91,;6.03,3.58,;7.89,3.82,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28980 Fc1ccc(F)c(c1)[C@]1(CC[C@H](CS(=O)(=O)N2CCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.12,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;5.47,5.68,;6.8,4.91,;6.03,3.58,;7.89,3.82,;8.13,5.68,;8.13,7.22,;9.67,7.22,;9.67,5.68,;2.8,5.68,;1.47,4.91,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28981 N[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.7,(5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28982 NC(=O)O[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:4.3,wD:7.10,(6.8,7.99,;5.47,7.22,;4.13,7.99,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28983 CC(=O)N[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:4.3,wD:7.10,(6.8,7.99,;5.47,7.22,;4.13,7.99,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28984 CS(=O)(=O)N[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:5.4,wD:8.11,(6.8,7.99,;5.47,7.22,;3.98,7.62,;5.47,8.76,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28985 CCCS(=O)(=O)N[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:7.6,wD:10.13,(9.47,7.99,;8.13,7.22,;6.8,7.99,;5.47,7.22,;3.98,7.62,;5.47,8.76,;5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28986 Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;6.75,9.15,;7.16,6.09,;8.44,8.02,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28987 Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)c1cccs1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;7,9.16,;8.48,9.59,;9.35,8.31,;8.4,7.1,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28988 Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;7.47,9.07,;8.98,9.35,;9.98,8.18,;9.47,6.73,;7.95,6.45,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28989 Fc1ccc(F)c(c1)[C@]1(CC[C@@H](CC1)NS(=O)(=O)N1CCC1)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:11.15,wD:8.8,(-1.46,7.75,;-1.46,6.21,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;-.12,3.9,;-.12,5.44,;1.47,3.37,;2.8,2.6,;4.13,3.37,;4.13,4.91,;2.8,5.68,;1.47,4.91,;5.47,5.68,;5.47,7.22,;3.98,7.62,;5.47,8.76,;6.95,7.62,;7.88,8.85,;9.11,7.93,;8.19,6.7,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28990 O[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r,wU:1.0,wD:4.7,(5.47,5.68,;4.13,4.91,;4.13,3.37,;2.8,2.6,;1.47,3.37,;1.47,4.91,;2.8,5.68,;-.12,3.9,;-.12,5.44,;-1.46,6.21,;-1.46,7.75,;-2.79,5.44,;-2.79,3.9,;-1.46,3.13,;-1.46,1.59,;1.47,1.83,;3.01,1.83,;-.07,1.83,;1.47,.29,;.13,-.48,;.13,-2.02,;1.47,-2.79,;1.47,-4.33,;2.8,-2.02,;2.8,-.48,)|
28991 CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28992 CCNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28993 C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28994 C[C@H](COC(=O)NCCCn1ncnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28995 CC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28996 CCC(C)NC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28997 C[C@H](COC(=O)NC1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28998 C[C@H](COC(=O)NC(C)(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
28999 CCN(CC)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29000 C[C@H](COC(=O)N1CCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29001 C[C@H](COC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29002 C[C@H](CCOC(=O)NCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29003 C[C@H](CCOC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29004 CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29005 C[C@H](COC(=O)N(CCCn1ccnc1)CC1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29006 CC(C)N(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29007 C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r|
29008 C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 |r|
29009 C[C@H](COC(=O)NCCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r|
29010 C[C@H](COC(=O)N(C)CCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r|
29011 CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 |r|
29012 C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29013 C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r|
29014 OC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)[C@@H]1O2 |r|
29015 OC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C[C@@H]1O2 |r|
29016 ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)[C@@H]1O2 |r|
29017 ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C[C@@H]1O2 |r|
29018 ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1 |r|
29019 OC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 |r|
29020 OC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C[C@@H]1O2 |r|
29021 ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2 |r|
29022 CCOC(=O)C1CCN(CC1)C(=O)NO
29023 OC(=O)C1[C@@H]2OC[C@H](CN1Cc1ccc(cc1)-c1ccccc1)O2 |r|
29024 FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
29025 CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1
29026 O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1
29027 CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1Cl
29028 CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1ccccc1Cl
29029 COc1ccccc1-c1ccc(NC(=O)C(C#N)C(C)=O)c(Cl)c1
29030 CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1cccc(Cl)c1Cl
29031 CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1c(Cl)cccc1Cl
29032 CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1cccc(Cl)c1
29033 CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1cccc(Cl)c1
29034 CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1ccccc1Cl
29035 CC(=O)C(C#N)C(=O)Nc1ccc(c(Cl)c1)-c1cccc(Cl)c1
29036 CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1cccc(Cl)c1Cl
29037 CC(=O)C(C#N)C(=O)Nc1ccc(cc1)-c1ccccc1Cl
29038 CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1ccccc1
29039 CCOc1cccc(c1)-c1ccc(NC(=O)C(C#N)C(C)=O)cc1
29040 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
29041 Oc1ccc2ccccc2c1Cc1c([nH]c(=O)[nH]c1=O)-c1ccccc1
29042 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Br)cc1
29043 COc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
29044 Oc1ccc(cc1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1)-c1ccccc1
29045 Cc1ccccc1-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
29046 Cc1cccc(c1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
29047 Cc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
29048 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Cl)cc1
29049 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(I)cc1
29050 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(cc1)C(F)(F)F
29051 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1Br
29052 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Br)c1
29053 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Cl)c1
29054 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1F
29055 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(F)c1
29056 Cn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
29057 CCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
29058 Oc1ccc2ccccc2c1Cc1c(-c2ccccc2)n(CC=C)c(=S)[nH]c1=O
29059 CCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
29060 CCCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
29061 Cc1nc2c(-c3ccc(Cl)cc3)n(nc2c(=O)n1CC(F)(F)F)-c1ccccc1Cl
29062 Clc1ccc(cc1)-c1c2CCNC(=O)c2nn1-c1ccccc1Cl
29063 CCN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29064 CC(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29065 CC(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29066 CC(C)(C)N1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29067 Clc1ccc(cc1)-c1c2CCN(C3CCCC3)C(=O)c2nn1-c1ccccc1Cl
29068 COC(C)(C)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29069 FC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29070 CC(F)(F)CN1CCc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29071 CC(F)(F)CN1CCc2c(C1)nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
29072 Clc1ccc(cc1)-c1c2OCCNC(=O)c2nn1-c1ccccc1Cl
29073 CC(C)N1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29074 FC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29075 CC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29076 CCC(F)(F)CN1CCOc2c(nn(c2-c2ccc(Cl)cc2)-c2ccccc2Cl)C1=O
29078 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@@H]1O |r|
29079 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H]1C[C@H]1O |r|
29080 CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
29081 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H]1C[C@@H]1O |r|
29082 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H]1C[C@H]1O |r|
29083 CCCCCCCCCCCCCCCC(=O)NCCO
29084 CCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1O |r|
29085 CCCCCCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1O |r|
29087 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H]1C[C@H]1O |r|
29088 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H]1C[C@@H]1O |r|
29091 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H]1C[C@H]1O |r|
29093 CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H]1C[C@@H]1O |r|
29094 CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18|
29095 O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1 |c:22|
29096 Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1 |c:22|
29097 FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1 |t:9|
29098 CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:19|
29099 CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19|
29100 CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1 |c:19|
29101 CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1 |c:19|
29102 CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1 |c:20|
29103 CCCC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:17|
29104 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccccc2)c2ccc(cc2)C2=CCCCC2)cc1 |t:34|
29105 CC(C)(C)c1ccc(cc1)-c1csc(n1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(cc1)C1=CCCCC1 |t:41|
29106 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc(cc2)C2=CCCCC2)cc1 |t:39|
29107 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C2=CCCCC2)cc1 |t:38|
29108 OC(=O)CCNC(=O)c1ccc(CN(c2nc(c(s2)-c2ccccc2)-c2ccc(Cl)cc2)c2ccc(cc2)C2=CCCCC2)cc1 |t:42|
29109 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc-3c(Cc4ccccc-34)c2)cc1
29110 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc3CCCc3c2)cc1
29111 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc3CCCc3c2)cc1
29112 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(Cl)c(Cl)c2)c2ccc3CCCc3c2)cc1
29113 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(Cl)c(Cl)c2)c2ccc3CCCCc3c2)cc1
29114 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc3CCCCc3c2)cc1
29115 CC(C)c1ccc(cc1C)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1nc(cs1)-c1ccc(cc1)C(F)(F)F
29116 CC(C)c1ccc(cc1C)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1nc(cs1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
29117 CC(C)(C)c1ccc(cc1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1nc(cs1)-c1ccc(cc1)C(C)(C)C
29118 OC(=O)CCNC(=O)c1ccc(CN(C2CCCc3ccccc23)c2nc(cs2)-c2ccc(Cl)c(Cl)c2)cc1
29119 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(Cl)cc2)cc1
29120 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)cc1
29121 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(Cl)cc2)c2ccc(cc2)C(F)(F)F)cc1
29122 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(OC(F)(F)F)cc2)cc1
29123 COc1ccccc1-c1csc(n1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)c1ccc(SC(F)(F)F)cc1
29124 OC(=O)CCNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(SC(F)(F)F)cc2)cc1
29125 O[C@H](CNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc3CCCc3c2)cc1)C(O)=O |r|
29126 O[C@H](CNC(=O)c1ccc(CN(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc3CCCc3c2)cc1)C(O)=O |r|
29127 OC(=O)CCNC(=O)c1ccc(cc1)N(Cc1ccc-2c(Cc3ccccc-23)c1)c1nc(cs1)-c1ccc(Cl)cc1
29128 OC(=O)CCNC(=O)c1ccc(cc1)N(Cc1ccc-2c(Cc3ccccc-23)c1)c1nc(cs1)-c1ccc(cc1)C(F)(F)F
29129 OC(=O)CCNC(=O)c1ccc(cc1)N(Cc1ccc-2c(Cc3ccccc-23)c1)c1nc(cs1)-c1ccc(OC(F)(F)F)cc1
29130 OC(=O)CCNC(=O)c1ccc(CC(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(Cl)cc2)cc1
29131 OC(=O)CCNC(=O)c1ccc(CC(c2nc(cs2)-c2ccc(OC(F)(F)F)cc2)c2ccc(Cl)cc2)cc1
29132 OC(=O)CCNC(=O)c1ccc(CC(c2nc(cs2)-c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2)cc1
29133 O[C@H](CNC(=O)c1ccc(CC(c2nc(cs2)-c2ccc(cc2)C(F)(F)F)c2ccc(OC(F)(F)F)cc2)cc1)C(O)=O |r|
29134 Oc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
29135 NCCc1ccc(O)cc1
29136 CC(C)NNC(=O)c1ccncc1
29137 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccccc2)c(-[#8])c1
29138 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#6])cc2)c(-[#8])c1
29139 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(Cl)cc2)c(-[#8])c1
29140 COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
29141 COc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
29142 COc1ccc(C(=O)\C=C\c2ccc(Cl)cc2)c(O)c1
29143 O=C(\C=C\c1ccccc1)c1ccccc1
29144 Oc1ccccc1C(=O)\C=C\c1ccc(Cl)cc1
29145 Oc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
29146 Oc1cc(F)ccc1C(=O)\C=C\c1ccc(Cl)cc1
29147 Fc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccccc2)cc1
29148 CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(Cl)cc1
29149 [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc2-[#8])cc1
29150 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]-c3ccccc3)cc2)c(-[#8])c1
29151 Clc1ccc(\C=C\C(=O)c2ccc(OCc3ccccc3)cc2)cc1
29152 O=C(NC1CCCCC1)c1cc2ccccc2oc1=O
29153 CC(C)NC(=O)c1cc2ccccc2oc1=O
29154 CC(C)CNC(=O)c1cc2ccccc2oc1=O
29155 O=C(NCC#C)c1cc2ccccc2oc1=O
29156 NCCNC(=O)c1cc2ccccc2oc1=O
29157 O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O
29158 Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
29159 COc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
29160 Fc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
29161 FC(F)(F)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
29162 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29163 CCc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29164 CC(C)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29165 CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29166 COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29167 CSc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29168 Fc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29169 OC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29170 ClC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29171 CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29172 Oc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
29173 Cc1cccc(Cl)c1NC(=O)c1cc2ccccc2oc1=O
29174 Cc1ccc(C)c(NC(=O)c2cc3ccccc3oc2=O)c1
29175 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)c(C)c1
29176 Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1C
29177 Cc1cccc(C)c1NC(=O)c1cc2ccccc2oc1=O
29178 Fc1cccc(F)c1NC(=O)c1cc2ccccc2oc1=O
29179 Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1C
29180 COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1OC
29181 Cc1cc(C)cc(NC(=O)c2cc3ccccc3oc2=O)c1
29182 COc1cc(NC(=O)c2cc3ccccc3oc2=O)cc(OC)c1
29183 Fc1c(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c(F)c1F
29184 Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccccc2oc1=O
29185 Fc1nc(F)c(F)c(NC(=O)c2cc3ccccc3oc2=O)c1F
29186 O=C(NCc1ccccc1)c1cc2ccccc2oc1=O
29187 O=C(NCCc1ccccc1)c1cc2ccccc2oc1=O
29188 CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
29189 CN(Cc1ccccc1)C(=O)c1cc2ccccc2oc1=O
29190 O=C(N(c1ccccc1)c1ccccc1)c1cc2ccccc2oc1=O
29191 O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29192 CC(C)NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29193 CC(C)CNC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29194 CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1
29195 Fc1c(F)c(C#N)c(F)c(F)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29196 O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29197 Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29198 COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc1OC
29199 COc1cc(NC(=O)c2cc3ccc(OCc4ccccc4)cc3oc2=O)cc(OC)c1
29200 O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29201 O=C(NNc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O
29202 Fc1ccc(COc2ccc3cc(C(=O)Nc4c(F)c(F)c(C#N)c(F)c4F)c(=O)oc3c2)cc1
29203 Fc1ccc(COc2ccc3cc(C(=O)Nc4ccccc4Cc4ccccc4)c(=O)oc3c2)cc1
29204 Cc1cccc(Cl)c1NC(=O)c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
29205 COc1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1OC
29206 COc1cc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc(OC)c1
29207 CC(C)c1ccc(NC(=O)c2cc3ccc(OCc4ccc(F)cc4)cc3oc2=O)cc1
29208 CN(C(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O)c1ccccc1
29209 COc1ccc(NC(=O)c2cc3ccc(OCc4ccccc4)c(C)c3oc2=O)cc1OC
29210 COc1cc(=O)n(C)c2c3OCOc3ccc12
29211 Cc1nc(sc1C)-[n+]1nc(nn1-c1ccccc1)-c1ccccc1
29212 Cc1cc(=O)[nH]c2c3OCOc3ccc12
29213 Cc1cc(=O)n(C)c2c3OCOc3ccc12
29214 Cc1cc(=O)[nH]c2ccccc12
29215 Cc1cc(=O)n(C)c2ccccc12
29216 COc1cccc2c(C)cc(=O)[nH]c12
29217 COc1cccc2c(C)cc(=O)n(C)c12
29218 COc1ccc2c(C)cc(=O)[nH]c2c1OC
29219 COc1ccc2c(C)cc(=O)n(C)c2c1OC
29220 COc1cc(OC)c2[nH]c(=O)cc(C)c2c1
29221 COc1cc(OC)c2n(C)c(=O)cc(C)c2c1
29222 COc1ccc(OC)c2c(C)cc(=O)[nH]c12
29223 COc1ccc(OC)c2n(C)c(=O)cc(C)c12
29224 COc1cc2c(C)cc(=O)[nH]c2c(OC)c1OC
29225 COc1cc2c(C)cc(=O)n(C)c2c(OC)c1OC
29226 COc1cc(OC)c2[nH]c(=O)cc(C)c2c1OC
29227 COc1cc(OC)c2n(C)c(=O)cc(C)c2c1OC
29228 COc1c(OC)c(OC)c2c(C)cc(=O)[nH]c2c1OC
29229 COc1c(OC)c(OC)c2n(C)c(=O)cc(C)c2c1OC
29230 Cc1cc(=O)n(C)c2C(=O)C=CC(=O)c12 |c:10|
29232 Nc1cccc(C[C@H]2CNC[C@H]2NCCCO)n1 |r|
29233 NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r|
29234 Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r|
29235 Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2cccc(Cl)c2)c1 |r|
29236 O=C(N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1)c1ccco1
29237 Fc1cccc2c(CN(C(=O)c3ccco3)c3ccccc3)cc(=O)[nH]c12
29238 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
29239 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1
29240 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1Cl
29241 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29242 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccc(Cl)cc1
29243 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(F)c1
29244 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(c1)C#N
29245 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(C)c1
29246 COc1cccc(c1)N(Cc1cc(=O)[nH]c2c(F)cccc12)C(=O)c1scnc1C
29247 Fc1cccc2c(CN(C(=O)c3cncs3)c3cccc(Cl)c3)cc(=O)[nH]c12
29248 Cc1ncccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29249 Cc1cnccc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29250 Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29251 Cc1cccnc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29252 Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29253 Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29254 Fc1cccc2c(CN(C(=O)C3CCCC3)c3cccc(Cl)c3)cc(=O)[nH]c12
29255 CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29256 Cc1ncsc1C(=O)N(Cc1cc[nH]c(=O)c1)c1cccc(Cl)c1
29257 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2CCCCc12)c1cccc(Cl)c1
29258 Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)cccc12)c1cccc(Cl)c1
29259 COc1cc(CN(C(=O)c2scnc2C)c2cccc(Cl)c2)c2cccc(F)c2n1
29260 Cc1ncsc1C(=O)N(Cc1cc(=O)n(C)c2c(F)cccc12)c1cccc(Cl)c1
29261 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(Cl)cccc12)c1cccc(Cl)c1
29262 Cc1ncsc1C(=O)N(Cc1ccnc2c(F)cccc12)c1cccc(Cl)c1
29263 Cc1ncsc1C(=O)N(Cc1cncc2c(F)cccc12)c1cccc(Cl)c1
29264 Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)cccc12)c1cccc(Cl)c1
29265 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1
29266 Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1
29267 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cc(F)ccc12)c1cccc(Cl)c1
29268 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccc(F)cc12)c1cccc(Cl)c1
29269 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2cccc(F)c12)c1cccc(Cl)c1
29270 Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
29271 Cc1ccncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
29272 Cn1cncc1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
29273 Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1
29274 Cc1ncsc1C(=O)N(Cc1c(F)c(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1
29275 Cc1ncsc1C(=O)N(Cc1cc(=O)oc2c(F)c(F)ccc12)c1cccc(Cl)c1
29276 Cc1ncsc1C(=O)N(Cc1cncc2c(F)c(F)ccc12)c1cccc(Cl)c1
29277 NS(=O)(=O)c1ccc(CCC(O)=O)cc1
29278 O=C1NS(=O)(=O)c2ccccc12
29279 CCCCSc1n[nH]c(=O)n1-c1ccccc1
29280 CCSc1n[nH]c(=O)n1-c1ccccc1
29281 O=c1[nH]nc(SCc2ccccc2)n1-c1ccc2OCCOc2c1
29282 [O-][N+](=O)c1ccc(Sc2n[nH]c(=O)n2-c2ccccc2)s1
29283 CC(C)(C)c1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
29284 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc3OCOc3c2)s1
29285 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)cc2)s1
29286 COc1ccc(c(OC)c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(.81,-4.43,;-.52,-3.66,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;.81,.19,;2.15,.96,;3.48,.19,;.81,-1.35,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|
29287 COc1cc(OC)cc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
29288 COc1ccc(cc1OC)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
29289 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc3ccccc23)s1 |(7.87,2.42,;7.37,3.87,;8.39,5.03,;5.86,4.18,;5.22,5.58,;3.69,5.4,;3.39,3.89,;2.23,2.88,;.77,3.38,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,;-.49,2.5,;-.52,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-3.19,-2.12,;-4.52,-1.35,;-4.52,.19,;-3.19,.96,;-1.86,.19,;4.73,3.13,)|
29290 COc1ccc(OC)c(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(-3.19,-3.66,;-3.19,-2.12,;-1.86,-1.35,;-.52,-2.12,;.81,-1.35,;.81,.19,;2.15,.96,;3.48,.19,;-.52,.96,;-1.86,.19,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|
29291 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(OC(F)(F)F)cc2)s1
29292 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)[N+]([O-])=O)s1
29293 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(F)c(F)c2)s1
29294 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(F)c2)s1
29295 COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
29296 COc1ccccc1-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O |(3.48,.19,;2.15,.96,;.81,.19,;.81,-1.35,;-.52,-2.12,;-1.86,-1.35,;-1.86,.19,;-.52,.96,;-.49,2.5,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;.32,4.86,;-1.22,4.89,;-1.72,3.43,;-3.21,3.03,)|
29297 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2cccc(c2)C(F)(F)F)s1
29298 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2-c2ccc(cc2)C(F)(F)F)s1
29299 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2C2CCCCC2)s1
29300 COc1ccc(cc1)-n1c(Sc2ncc(s2)[N+]([O-])=O)n[nH]c1=O
29301 [O-][N+](=O)c1cnc(Sc2nnc(-c3ccccc3)n2-c2ccc3OCCOc3c2)s1
29302 Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl |(-4.53,5.28,;-4.53,3.74,;-5.67,2.71,;-5.03,1.3,;-3.5,1.48,;-3.19,2.98,;-1.72,3.43,;-1.22,4.89,;.32,4.86,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;-.49,2.5,;-.52,.96,;-1.86,.19,;-1.86,-1.35,;-.52,-2.12,;-.52,-3.66,;.81,-1.35,;.81,.19,;2.15,.96,)|
29303 COc1cccc(c1)-n1c(Sc2ncc(s2)[N+]([O-])=O)nnc1-c1ccccc1
29304 [O-][N+](=O)c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1
29305 [O-][N+](=O)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)s1
29306 [O-][N+](=O)c1cnc(Sc2nnc(-c3ccncc3)n2-c2ccccc2)s1
29307 Cn1c(Cc2nc([n-][o+]2)-c2cnccn2)nnc1Sc1ncc(s1)[N+]([O-])=O
29308 C(Sc1nnc(SCc2ccccc2)s1)c1ccccc1
29309 Fc1ccc(CSc2nnc(SCc3ccc(F)cc3)s2)cc1
29310 COc1ccc(CSc2nnc(SCc3ccc(OC)cc3)s2)cc1
29311 [O-][N+](=O)c1cccc(CSc2nnc(SCc3cccc(c3)[N+]([O-])=O)s2)c1
29312 [O-][N+](=O)c1ccc(CSc2nnc(SCc3ccc(cc3)[N+]([O-])=O)s2)cc1
29313 [O-][N+](=O)c1cnc(Sc2nnc(Sc3ncc(s3)[N+]([O-])=O)s2)s1
29314 OC(=O)c1cnc(Sc2nnc(Sc3ncc(s3)C(O)=O)s2)s1
29315 Nc1nnc(Sc2ncc(s2)[N+]([O-])=O)s1
29316 [O-][N+](=O)c1cnc(Sc2nnc(NC(=O)c3ccc(F)cc3)s2)s1
29317 Nc1nnc(SCc2ccc(F)cc2)s1
29318 [H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r|
29319 [H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@@H]2O |r|
29320 [H][C@@]12[C@@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
29321 [H][C@@]12[C@@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
29322 [H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
29323 [H][C@@]12[C@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
29324 [H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(C)C)=N\c1ccc(C#N)c(Cl)c1C |r|
29325 [H][C@]12CN=C(Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,t:3|
29326 [H][C@]12CN(C)\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r|
29327 [H][C@]12CN(C(N)=O)C(=Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,w:8.8|
29328 [H][C@@]12[C@@H](O)CCN1\C(=N/C#N)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|
29329 OS(=O)(=O)c1ccc(Nc2ccc(cc2)[C+](c2ccc(Nc3cccc(c3)S(O)(=O)=O)cc2)c2ccc(Nc3cccc(c3)S(O)(=O)=O)cc2)cc1
29330 COc1ccc(cc1)-c1cc(nc(NS(=O)(=O)c2ccc(N)cc2)n1)-c1ccc(cc1)N(C)C
29331 Cc1cc(ccc1N)C(O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc1
29332 OC(=O)c1cc(Nc2ccc(cc2)C(Cl)(c2ccccc2)c2ccc(Nc3ccc(Cl)c(c3)C(O)=O)cc2)ccc1Cl
29333 CC(c1ccccc1)(c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
29334 CC(C)(c1ccc(O)cc1)c1ccc(cc1)C(C)(c1ccc(O)cc1)c1ccc(O)cc1
29335 CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
29336 Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1
29337 CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
29338 CC(C)(c1ccc(O)cc1)c1ccc(cc1)C(C)(C)c1ccc(O)cc1
29339 COc1ccc(cc1)C(C)(C)c1ccc(cc1)C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1
29340 CC(C)(c1ccc(cc1)C(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1
29341 O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc12
29342 CC1CCC(CC1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |(6.19,11.83,;4.86,11.06,;3.53,11.83,;2.19,11.06,;2.19,9.52,;3.53,8.75,;4.86,9.52,;.86,8.75,;-.47,9.52,;.86,7.21,;-.47,6.44,;-1.81,7.21,;-3.14,6.44,;-3.62,4.98,;-5.16,4.98,;-5.63,6.44,;-7.04,7.07,;-7.2,8.6,;-5.96,9.5,;-4.55,8.88,;-4.39,7.35,;-.47,4.9,;.86,4.13,;-1.81,4.13,;-1.81,2.59,;-3.14,1.82,;-3.14,.28,;-1.81,-.49,;-.47,.28,;-.47,1.82,)|
29343 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3C)c2c1
29344 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccncc3)c2c1
29345 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)c3ccncc3)c2c1
29346 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccccn3)c2c1
29347 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(nc3)C(F)(F)F)c2c1
29348 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(Cl)nc3)c2c1
29349 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccnc3)c2c1
29350 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccc(Cl)c3)c2c1
29351 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)c3ccccc3)c2c1
29352 CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 |r|
29353 CCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 |r|
29354 COCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 |r|
29355 Clc1ccc(CCC(=O)N2CCC[C@H]2C(=O)NCc2cccs2)cc1 |r|
29356 CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r|
29357 CCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r|
29358 COCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1 |r|
29359 O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
29360 CNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1 |r|
29361 CCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1 |r|
29362 COCCNC(=O)[C@@H]1CCCN1C(=O)CC1CCCCC1 |r|
29363 O=C(CC1CCCCC1)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
29364 CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12 |r|
29365 CCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12 |r|
29366 COCCNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc12 |r|
29367 OC1(CC(=O)N2CCC[C@H]2C(=O)NCc2cccs2)c2ccccc2-c2ccccc12 |r|
29368 CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2OCOc2c1 |r|
29369 CCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2OCOc2c1 |r|
29370 COCCNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc2OCOc2c1 |r|
29371 O=C(Cc1ccc2OCOc2c1)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
29372 CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
29373 CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
29374 COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1 |r|
29375 N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
29376 CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |r|
29377 CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |r|
29378 COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 |r|
29379 N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
29380 CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
29381 CCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
29382 COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
29383 N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 |r|
29384 CC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C1CCCCC1 |r|
29385 N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 |r|
29386 CNC(=O)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)Cc1ccccc1)C1CCCCC1 |r|
29387 COCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1 |r|
29388 NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
29390 CCOC(=O)C1C(c2ccccc2)c2c(N)c3CCCCc3nc2N=C1C |c:27|
29391 CCOC(=O)C1C(c2ccc(F)cc2)c2c(N)c3CCCCc3nc2N=C1C |c:28|
29392 CCOC(=O)C1C(c2ccccc2C(F)(F)F)c2c(N)c3CCCCc3nc2N=C1C |c:31|
29393 CCOC(=O)C1C(c2ccccc2[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
29394 CCOC(=O)C1C(c2cccc(c2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
29395 CCOC(=O)C1C(c2ccc(cc2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
29396 CCOC(=O)C1C(c2ccc(C)cc2)c2c(N)c3CCCCc3nc2N=C1C |c:28|
29397 CCOC(=O)C1C(c2ccc(cc2)-c2ccccc2)c2c(N)c3CCCCc3nc2N=C1C |c:34|
29398 CCOC(=O)C1C(c2ccccc2OC)c2c(N)c3CCCCc3nc2N=C1C |c:29|
29399 CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29|
29400 CCOC(=O)C1C(c2ccc(OC)cc2)c2c(N)c3CCCCc3nc2N=C1C |c:29|
29401 CCOC(=O)C1C(c2ccc(OC)c(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:31|
29402 CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C |c:27|
29403 CCOC(=O)C1C(c2ccncc2)c2c(N)c3CCCCc3nc2N=C1C |c:27|
29406 NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1
29407 NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
29408 NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
29409 NCc1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1
29410 NCc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
29411 C1CC(CCN1)Oc1cc2cnccc2cc1-c1ccccc1
29412 Brc1cc2ccncc2cc1OC1CCNCC1
29413 CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br
29414 CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br
29415 CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1
29416 CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O
29417 CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1
29418 CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O
29419 C1CC(CCN1)Oc1ccc2ccncc2c1
29420 C1CNCC(C1)Oc1cc2cnccc2cc1-c1ccccc1
29421 C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCCNC1
29422 NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCCNC1
29423 NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCCNC1
29424 C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCNCC1
29425 NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCNCC1
29426 CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1
29427 CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1
29428 C(Oc1cc2cnccc2cc1-c1ccccc1)c1cccnc1
29429 C(Oc1cc2cnccc2cc1-c1ccccc1)c1ccncc1
29430 NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1
29431 NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCc1ccccc1
29432 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
29433 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1
29434 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;2.43,11.35,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29435 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29436 CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29437 CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29438 CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;.28,11.12,;1.68,10.48,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29439 CCCN(CCC#N)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29440 COc1ccc(-c2c(C)nn3c(nc(C)nc23)N(CCC#N)C2CC2)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.59,8.98,;-3.36,10.32,;-4.13,8.98,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
29441 COc1ccc(-c2c(C)nn3c(nc(C)nc23)N2CCCC2)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.08,8.22,;-0,9.76,;-1.44,10.31,;-2.41,9.12,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
29442 COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29443 CCOCC(COCC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)cc1C |(3.8,11.87,;2.32,11.47,;1.92,9.99,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;3.53,6.28,;5.02,6.68,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29444 COc1ccc(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(C)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-1.57,7.83,;-.06,8.13,;.81,9.4,;2.08,8.52,;1.21,7.26,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;1.01,.52,;2.34,1.29,;1.01,-1.02,)|
29445 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.45,7.33,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29446 CC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |r,wU:2.2,(2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29447 CC[C@@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |r,wD:2.2,(2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29448 CCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(3.51,6.21,;2.45,7.33,;.95,6.97,;-.06,8.13,;.43,9.59,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29449 COc1cc(C)c(-c2c(C)nn3c(NC4CCC4)nc(C)nc23)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-1.57,7.83,;-.06,8.13,;1.01,9.24,;2.12,8.17,;1.05,7.06,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
29450 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29451 CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29452 COc1cc(C)c(-c2c(C)nn3c(nc(C)nc23)N(CC=C)CC=C)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
29453 CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-5.12,9.84,;-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;.04,11.08,;1.52,10.67,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29454 CCCN(C)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-5.12,9.84,;-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29455 COc1cc(C)c(-c2c(C)nn3c(nc(C)nc23)N(C)CC=C)c(OC)c1 |(1.01,-4.1,;-.33,-3.33,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,1.29,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-1.57,7.83,;-.06,8.13,;-2.59,8.98,;-4.1,8.68,;-5.12,9.84,;-1.66,.52,;-2.99,1.29,;-4.33,.52,;-1.66,-1.02,)|
29456 CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29457 CCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-4.1,8.68,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;2.43,11.35,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29458 COCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-4.1,8.68,;-5.55,9.2,;-5.28,7.69,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29459 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-3.11,11.6,;-2.62,13.06,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29460 CCN(CCC#N)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;3.43,10.29,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29461 CCC1CCCCN1c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1OC |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;-.71,10.78,;-2.21,10.42,;-2.64,8.94,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-4.33,.52,)|
29462 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(-2.84,13.01,;-3.27,11.53,;-2.21,10.42,;-2.64,8.94,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
29463 CCCCN(C)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.64,8.94,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;2.34,1.29,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
29464 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(C)c(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.64,8.94,;-2.24,10.43,;-3.33,11.51,;-2.93,13,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29465 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1C |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;1.85,10.04,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29466 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(2.48,7.45,;.99,7.08,;-.08,8.19,;.35,9.67,;1.85,10.04,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29467 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29468 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(F)c(OC)cc1Cl |(-2.73,13.03,;-3.19,11.56,;-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29469 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Cl |(-2.73,13.03,;-3.19,11.56,;-2.15,10.43,;-2.61,8.96,;-1.57,7.83,;-.08,8.19,;.35,9.67,;1.85,10.04,;2.28,11.52,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29470 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(1.85,10.04,;.35,9.67,;-.08,8.19,;.99,7.08,;2.48,7.47,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29471 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29472 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1Br |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-3.24,11.52,;-2.84,13.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29473 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cc(OC)c(OC)cc1C |(2.28,11.52,;1.85,10.04,;.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-3.24,11.52,;-2.84,13.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-2.99,-1.79,;-2.99,-3.33,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29474 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)c(C)c1C |(.35,9.67,;-.08,8.19,;-1.57,7.83,;-2.61,8.96,;-2.15,10.43,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;2.34,-1.79,;1.01,.52,;2.34,1.29,)|
29475 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)c(C)c1C |(1.85,10.04,;.35,9.67,;-.08,8.19,;.99,7.08,;2.48,7.48,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;2.34,-1.79,;1.01,.52,;2.34,1.29,)|
29476 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29477 COCCNc1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29478 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.34,11.83,;-1.57,13.16,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29479 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29480 CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(-2.34,11.83,;-1.57,10.49,;-2.34,9.16,;-1.57,7.83,;-.06,8.13,;.43,9.59,;1.94,9.89,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29481 CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29482 CCCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1c(C)cc(nc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.34,11.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-2.99,1.29,;-1.66,-1.02,;-.33,-1.79,;1.01,-1.02,;1.01,.52,;2.34,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29483 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29484 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(2.43,11.35,;1.94,9.89,;.43,9.59,;-.06,8.13,;-1.57,7.83,;-2.34,9.16,;-1.57,10.49,;-2.34,11.83,;-1.57,13.16,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29485 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cnc(cc1C)N(C)C |(1.94,9.89,;.43,9.59,;-.06,8.13,;.95,6.97,;2.44,7.37,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,;-.33,-3.33,;1.01,-4.1,;-1.66,-4.1,)|
29486 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1cnc(OC)cc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;2.22,11.5,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
29487 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1cnc(OC)cc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
29488 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1cnc(OC)cc1C |(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;1.82,10.01,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;1.01,.52,;1.01,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;-1.66,-1.02,;-1.66,.52,;-2.99,1.29,)|
29489 CCC(CC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;1.82,10.01,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29490 CC[C@@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |r,wD:2.2,(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29491 CC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |r,wU:2.2,(2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29492 CCC[C@H](C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |r,wU:3.3,(3.57,6.31,;2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29493 CCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(3.57,6.31,;2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29494 CCCCC(C)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(5.06,6.71,;3.57,6.31,;2.48,7.4,;.99,7,;-.06,8.13,;.34,9.62,;-1.57,7.83,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29495 CCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29496 CCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29497 COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-2.62,13.06,;-3.11,11.6,;-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;2.22,11.5,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29498 CCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(-2.1,10.44,;-2.59,8.98,;-1.57,7.83,;-.06,8.13,;.34,9.62,;1.82,10.01,;2.22,11.5,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29499 COCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.05,11.98,;-.74,11.17,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29500 CCCN(CC1CC1)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.05,11.98,;-.74,11.17,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29501 CCN(C)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29502 CCCN(C)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29503 CCCCN(C)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29504 CCCCN(CC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29505 CCCCN(CCC)c1nc(C)nc2c(c(C)nn12)-c1ccc(OC)nc1C |(2.22,11.5,;1.82,10.01,;.34,9.62,;-.06,8.13,;-1.57,7.83,;-2.59,8.98,;-2.1,10.44,;-3.11,11.6,;-2.07,6.37,;-3.58,6.06,;-4.07,4.61,;-5.58,4.3,;-3.05,3.45,;-1.54,3.75,;-.31,2.83,;.95,3.72,;2.41,3.23,;.49,5.19,;-1.05,5.21,;-.33,1.29,;-1.66,.52,;-1.66,-1.02,;-.33,-1.79,;-.33,-3.33,;1.01,-4.1,;1.01,-1.02,;1.01,.52,;2.34,1.29,)|
29506 C[C@H]1OC(C[C@H]([C@@H]1O)N(C)C)c1ccc2C(=O)C3=C([C@@H](C)O[C@@H]4CC(=O)O[C@H]34)C(=O)c2c1O |r,t:18|
29507 C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O |r,c:10|
29508 CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)cccc1C2=O |r,c:12|
29509 CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(OC)cccc1C2=O |r,c:12|
29510 CCC[C@H]1O[C@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |r,c:11|
29511 O=C1C[C@H]2OCC3=C([C@H]2O1)C(=O)c1ccccc1C3=O |r,c:6|
29512 O=C1C[C@H]2O[C@H](c3cccs3)C3=C([C@H]2O1)C(=O)c1ccccc1C3=O |r,c:12|
29513 O=C1C[C@H]2O[C@H](COCc3ccccc3)C3=C([C@H]2O1)C(=O)c1ccccc1C3=O |r,c:16|
29514 Oc1ccc(cc1)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:17|
29515 O=C1C[C@@H]2O[C@H](c3ccsc3)C3=C([C@@H]2O1)C(=O)c1ccccc1C3=O |r,c:12|
29516 O=C1C[C@H]2O[C@@H](c3ccsc3)C3=C([C@H]2O1)C(=O)c1ccccc1C3=O |r,c:12|
29517 C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:10|
29518 CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:12|
29519 O=C1C[C@H]2O[C@]3(CCCC3)C3=C([C@H]2O1)C(=O)c1ccccc1C3=O |r,c:11|
29520 Oc1cccc(c1)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:17|
29521 CCC[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:12|
29522 Nc1ccc(cc1)[C@@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:17|
29523 CC1(C)O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1ccccc1C2=O |r,c:11|
29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
29526 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
29527 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)Cc1ccccc1Cl
29528 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
29529 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccc(CCCNCCCC(=O)NC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1
29530 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCNCCCc1ccccc1
29531 COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc(C)cc2)CC1
29532 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:5.4,13.13|
29533 O=c1n(CCN2CCN(CC2)c2ccccc2)c2ccccc2n1-c1ccccc1
29534 Cc1ccccc1-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O |(-8.51,-1.07,;-10.03,-.82,;-11.01,-2.01,;-12.53,-1.76,;-13.07,-.32,;-12.09,.87,;-10.57,.62,;-9.66,1.86,;-10.13,3.38,;-11.54,4.01,;-11.7,5.54,;-10.46,6.45,;-9.05,5.82,;-8.89,4.29,;-7.64,3.33,;-6.31,4.1,;-4.97,3.33,;-3.64,4.1,;-3.64,5.64,;-2.31,6.41,;-.97,5.64,;-.97,4.1,;-2.31,3.32,;.36,6.41,;.36,7.95,;1.69,8.72,;3.03,7.95,;3.03,6.41,;1.69,5.64,;-8.12,1.86,;-7.21,.61,)|
29535 COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
29536 COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2)c1=O
29537 Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3)c2=O)CC1
29538 Cc1ccccc1N1CCN(CCn2c3ccccc3n(-c3ccccc3C)c2=O)CC1 |(1.69,4.1,;1.69,5.64,;3.03,6.41,;3.03,7.95,;1.69,8.72,;.36,7.95,;.36,6.41,;-.97,5.64,;-2.31,6.41,;-3.64,5.64,;-3.64,4.1,;-4.97,3.33,;-6.31,4.1,;-7.64,3.33,;-8.89,4.29,;-9.05,5.82,;-10.46,6.45,;-11.7,5.54,;-11.54,4.01,;-10.13,3.38,;-9.66,1.86,;-10.57,.62,;-12.09,.87,;-13.07,-.32,;-12.53,-1.76,;-11.01,-2.01,;-10.03,-.82,;-8.51,-1.07,;-8.12,1.86,;-7.21,.61,;-2.31,3.32,;-.97,4.1,)|
29539 COc1cccc(c1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2C)c1=O
29540 COc1ccc(cc1)-n1c2ccccc2n(CCN2CCN(CC2)c2ccccc2OC)c1=O
29541 COc1ccc(cc1)-n1c2ccccc2n(CCCN2CCN(CC2)c2ccccc2OC)c1=O
29542 COc1ccc(cc1)-n1c2ccccc2n(CCCCN2CCN(CC2)c2ccccc2OC)c1=O
29543 O=c1[nH]c2ccccc2n1CCN1CCN(CC1)c1ccccc1
29544 COc1ccccc1N1CCN(CCn2c3ccccc3[nH]c2=O)CC1
29545 O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)c1ccccc1
29546 COc1ccccc1N1CCN(CCCn2c3ccccc3[nH]c2=O)CC1
29547 O=c1[nH]c2ccccc2n1CCCCN1CCN(CC1)c1ccccc1
29548 COc1ccccc1N1CCN(CCCCn2c3ccccc3[nH]c2=O)CC1
29549 O=c1[nH]c2ccccc2n1CCCCCN1CCN(CC1)c1ccccc1
29550 COc1ccccc1N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
29551 O=c1[nH]c2ccccc2n1CCCCCCN1CCN(CC1)c1ccccc1
29552 COc1ccccc1N1CCN(CCCCCCn2c3ccccc3[nH]c2=O)CC1
29553 Clc1cccc(c1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
29554 Clc1ccc(cc1)N1CCN(CCCCCn2c3ccccc3[nH]c2=O)CC1
29556 FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCC2=O)CC1
29557 FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.15,9.43,;-2.38,10.77,;-4.69,9.37,;-5.1,7.88,;-3.82,7.03,;-3.42,5.54,)|
29558 CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1
29559 CC1(C)CC(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1 |(-6.78,6.79,;-5.69,7.88,;-6.78,8.97,;-4.97,9.24,;-3.43,9.3,;-2.66,10.63,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.34,6.63,;-2.57,5.3,;-4.88,6.58,)|
29560 FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)CCCC2=O)CC1
29561 FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)CCCC1=O |(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.43,9.3,;-2.66,10.63,;-4.97,9.24,;-5.69,7.88,;-4.88,6.58,;-3.34,6.63,;-2.57,5.3,)|
29562 FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3=C(CCCC3)C2=O)CC1 |t:22|
29563 FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2=C(CCCC2)C1=O |t:28,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-4.98,7.22,;-6.32,6.45,;-7.65,7.21,;-7.65,8.75,;-6.32,9.53,;-3.52,6.74,;-3.12,5.25,)|
29564 FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3CC=CCC3C2=O)CC1 |c:24|
29565 FC(F)(F)c1cccc(c1)N1CCN(CC1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(9.97,11.47,;11.29,10.68,;12.06,12.02,;12.62,9.9,;10.5,9.37,;11.24,8.02,;10.45,6.7,;8.91,6.73,;8.16,8.08,;8.96,9.39,;6.62,8.08,;5.82,9.39,;4.28,9.34,;3.54,7.99,;4.35,6.68,;5.89,6.72,;2,7.99,;1.23,9.32,;-.31,9.32,;-1.08,7.99,;-.31,6.65,;1.23,6.65,;-2.62,7.99,;-3.52,9.23,;-3.12,10.72,;-4.99,8.76,;-6.32,9.53,;-7.65,8.75,;-7.65,7.21,;-6.32,6.45,;-4.98,7.22,;-3.52,6.74,;-3.12,5.25,)|
29566 CC1=C(C)C(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1|
29567 CC1=C(C)C(=O)N(C2CCC(CC2)N2CCN(CC2)c2cccc(c2)C(F)(F)F)C1=O |c:1,(-6.6,7.5,;-5.1,7.88,;-4.69,9.37,;-5.77,10.47,;-3.15,9.43,;-2.38,10.77,;-2.62,7.99,;-1.08,7.99,;-.31,9.32,;1.23,9.32,;2,7.99,;1.23,6.65,;-.31,6.65,;3.54,7.99,;4.28,9.34,;5.82,9.39,;6.62,8.08,;5.89,6.72,;4.35,6.68,;8.16,8.08,;8.91,6.73,;10.45,6.7,;11.24,8.02,;10.5,9.37,;8.96,9.39,;11.29,10.68,;9.97,11.47,;12.06,12.02,;12.62,9.9,;-3.82,7.03,;-3.82,5.49,)|
29568 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
29569 O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCOCC1
29570 Clc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1Cl
29571 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCSCC1
29572 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
29573 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
29574 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1Cl
29575 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1
29576 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1
29577 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)cc1Cl
29578 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1
29579 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1
29580 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#16]-[#6]-[#6]-2)cc1Cl
29581 O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC1
29582 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-1
29583 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1
29584 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-2)cc1Cl
29585 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](/C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6]-1
29586 [#6]-[#8]-c1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1
29587 Clc1ccc(-[#6]-[#7]-2-[#6](=O)\[#6](=[#6](\C#N)C#N)-c3cc(ccc-23)S(=O)(=O)[#7]-2-[#6]-[#6]-[#6]-[#6]-2)cc1Cl
29588 O=[#6]1-[#7](-[#6]-c2ccccc2)-c2ccc(cc2\[#6]-1=[#6](\C#N)C#N)S(=O)(=O)[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#8]-c1ccccc1 |r|
29589 Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1
29590 O=C1CCc2c(O1)ccc1ccccc21
29591 ONC(=O)CCCCCC(=O)NN=Cc1cccc(O)c1 |w:13.13|
29592 ONC(=O)CCCCCCC(=O)NN=Cc1cc(O)ccc1O |w:14.14|
29593 ONC(=O)CCCCCC(=O)NN=Cc1cc2OCOc2cc1Br |w:13.13|
29594 ONC(=O)CCCCCCC(=O)NN=Cc1c(O)cc(O)cc1O |w:14.14|
29595 COc1ccc(Br)c(C=NNC(=O)CCCCCC(=O)NO)c1 |w:8.7|
29596 CN(C)c1ccc(C=NNC(=O)CCCCCC(=O)NO)c(O)c1 |w:7.6|
29597 ONC(=O)CCCCCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13|
29598 ONC(=O)CCCCCC(=O)NN=Cc1cc(O)ccc1Br |w:13.13|
29599 ONC(=O)CCCCCC(=O)NN=Cc1ccccc1Br |w:13.13|
29600 COc1cc(C=NNC(=O)CCCCCC(=O)NO)c(Br)cc1O |w:5.4|
29601 ONC(=O)CCCCCC(=O)NN=Cc1ccccc1Cl |w:13.13|
29602 ONC(=O)CCCCCC(=O)NN=Cc1ccc(cc1)-n1ccnc1 |w:13.13|
29603 ONC(=O)CCCCCC(=O)NN=Cc1cccnc1Br |w:13.13|
29604 ONC(=O)CCCCC(=O)NN=Cc1ccc(O)cc1Br |w:12.12|
29605 ONC(=O)CCCCC(=O)NN=Cc1cc(O)ccc1Br |w:12.12|
29606 COc1cc(C=NNC(=O)CCCCC(=O)NO)c(Br)cc1O |w:5.4|
29607 ONC(=O)CCCCC(=O)NN=Cc1ccc(cc1)B(O)O |w:12.12|
29608 CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
29609 CC(C)(c1ccccc1)c1ccc(O)cc1
29610 CC(C)(c1ccccc1)c1ccccc1
29611 COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
29612 CC(=O)NCCc1c[nH]c2ccc(O)cc12
29613 Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
29614 COc1ccc2nc(N3CCCC3)c(cc2c1)C#N
29615 COc1cccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
29616 CN(C)c1ccc(cc1)C1Nc2ccccc2-c2cc(C)nn12
29617 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)S(=O)(=O)c1ccccc1
29618 NCCNc1nc(NCc2ccccc2)c2CN(Cc3ccccc3)CCc2c1C#N
29619 CCC1(C)Cc2c(CS1)sc1[nH]c(=O)[nH]c(=O)c21
29620 Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
29621 COCCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
29622 Cc1cc(C)cc(c1)-n1c2ncn(Cc3ccco3)c(=O)c2c2nc3ccccc3nc12
29623 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)C(=O)NCc1ccccc1
29624 Cc1ccc(cc1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
29625 Cc1cc(C)n2nc3nc4CCCCc4cc3c2n1
29626 CC(C)OCCCn1c(nc2nc3ccccc3nc12)-c1ccco1
29627 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3ccco3)c2=N)cc1
29628 CN1CCc2c(C1)sc1c2c(NCc2ccco2)nc2nnnn12
29629 Cc1cccc(c1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
29630 CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21 |t:10|
29631 CCNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
29632 CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
29633 CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2SCCN(C)c2c1
29634 CC(=O)c1ccc2cccc3nc(C)[nH]c1c23
29635 Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
29636 O=C1Nc2ccccc2C11Nc2ccccc2S1
29637 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(N)=S)c1=N
29638 CC(C)c1cc(N2CCN(CC2)C(=O)c2ccco2)n2c3ccccc3nc2c1C#N
29639 Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C
29640 N#Cc1c2CCCc2c(NCc2ccco2)n2c3ccccc3nc12
29641 CCCOc1ccc(cc1)C1C(=CN(CCOC)C=C1C(=O)OC)C(=O)OC |c:12,19|
29642 Oc1ccc(cc1)\N=C\c1ccc(s1)-c1cccs1
29643 CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31
29644 CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
29645 COc1ccc(cc1)N1C2=C(CC3=C1CCCC3=O)C(=O)CCC2 |c:10,13|
29646 Cc1cc(=O)oc2c3CCCN4CCOc(cc12)c34
29647 COc1ccc2oc(=NO)c(cc2c1)C(=O)Nc1ccccc1OC |w:8.8|
29648 COc1cccc(-c2nc(c([nH]2)-c2ccc3c(c2)-c2ccccc2S3(=O)=O)-c2ccccc2)c1OC
29649 COC(=O)C1=C(CSc2nc3CCN(C)Cc3cc2C#N)OC(N)=C(C#N)C1c1ccccc1F |c:4,t:25|
29650 COCCNC(=O)c1c(NC(=O)c2ccc(Br)o2)n(Cc2ccccc2)c2nc3ccccc3nc12
29651 CN1c2ccsc2C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O
29652 Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
29653 CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:5|
29654 CC(C)C(=O)N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1cccs1
29655 COc1ccc(cc1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
29656 N#Cc1c2CCCc2c(NCc2cccnc2)n2c1nc1ccccc21
29657 CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1
29658 Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
29659 Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F
29660 Cc1cc2OC(=N)C(C#N)C(c3ccco3)c2c(=O)n1CCc1ccccc1
29661 CC(C)CNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
29662 CC1=CC(N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1)c1ccc(Cl)cc1 |c:18,21,t:1|
29663 CCC(=O)Nc1c(c2nc3ccccc3nc2n1Cc1ccccc1)S(=O)(=O)c1ccccc1
29664 Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)C(=O)NC2CCS(=O)(=O)C2)c1
29665 Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(C)cc1 |w:5.5|
29666 Cc1cc(C=NNC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c(C)n1-c1ccc(Cl)cc1 |w:5.5|
29667 CCc1nnc(NC(=O)c2sc3nc4CCCCCc4cc3c2N)s1
29668 CC(N=Nc1nc(cs1)-c1cc(C)ccc1C)c1cc2c(ccc3ccccc23)oc1=O |w:2.1|
29669 O=C(N(c1cc2sc(=O)oc2c2ccccc12)S(=O)(=O)c1ccccc1)c1cccnc1
29670 Cc1cccn2c1nc(N1CCC(CC1)C(N)=O)c(\C=C(/C#N)C(=O)NCc1ccco1)c2=O
29671 Cc1cccn2c1nc(N1CCN(Cc3ccc4OCOc4c3)CC1)c(\C=C(/C#N)C(N)=O)c2=O
29672 CCCc1cc2c(OC(=O)CC)c(-c3ccc(o3)C(=O)OCC)c(=O)oc2cc1OC
29673 Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(CO)c3OC(=O)c12
29674 COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1CO
29675 Cc1nc2ccc(cc2s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
29676 Oc1ccc(cc1)N1CCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1
29677 CN(CCC#N)C(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
29678 COc1cc(C(O)=O)c2Oc3c(CO)c(O)cc(C)c3C(=O)Oc2c1C
29679 Cc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
29680 COc1cccc(c1)-n1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc2c1=O
29681 OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
29682 ClC(Cl)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)[nH]1
29683 O=C(\N=c1/c(cc2c(nc3ccccn3c2=O)n1Cc1ccco1)C#N)c1ccco1
29684 CC1CCCCC1NC(=O)COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12
29685 O=C(COC(=O)c1c2CC\C(=C/c3ccco3)c2nc2ccccc12)NC1CCCC1
29686 Oc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
29687 Oc1ccc(O)c(c1)-c1cnns1
29688 Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1Cl)C1C2=C(CCCC2=O)N(CCC(O)=O)C2=C1C(=O)CCC2 |c:35,t:21|
29689 Oc1ccc(-c2cnns2)c(O)c1
29690 CCOc1cc(ccc1OS(=O)(=O)c1ccc(C)cc1)C1C2=C(CCCC2=O)N(CCC(O)=O)C2=C1C(=O)CCC2 |c:37,t:23|
29691 CCOc1cc(cc(Br)c1OCC=C)C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 |c:26,t:16|
29692 CCN1CCS\C1=C/C=C/C1=[N+](CC)CCS1 |c:11|
29693 Clc1ccc(cc1)-c1cnc2[nH]c(=O)[nH]c(=O)c2n1
29694 O=C(NCc1ccccn1)c1cc2c(ccc3ccccc23)oc1=O
29695 COc1ccc(OC)c(c1)S(=O)(=O)N(C(C)=O)c1ccc2oc(=O)sc2c1
29696 Cc1ccc(CNC(=O)NCc2ccccc2)cc1
29697 COc1ccc(cc1)C1c2ccc(O)cc2Oc2ncn3nc(nc3c12)-c1ccccn1
29698 CC(=O)Nc1ccc2cc3ccc(NC(C)=O)cc3nc2c1
29699 Cn1c2ccccc2c(O)c(C=Nc2ccccc2)c1=O |w:12.13|
29701 FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl
29702 O=C(Nc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29703 Clc1ccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)cc1
29704 FC(F)(F)c1cc(Cl)cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29705 FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29706 FC(F)(F)c1ccccc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29707 FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)cc1
29708 FC(F)(F)Oc1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29709 COc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
29710 COc1cc(Cl)c(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
29711 Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
29712 Fc1cccc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29713 Fc1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)cc(c1)N1CCOCC1
29714 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29715 Cn1c2c(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)ccnc2[nH]c1=O
29716 Cn1c2c(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)cc3)ccnc2[nH]c1=O
29717 Cn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2[nH]c1=O
29718 Cn1c2nccc(Oc3ccc(NC(=O)Nc4cccc(c4)C(C)(C)C)cc3)c2[nH]c1=O
29719 Cn1c2nccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c2[nH]c1=O
29720 Cn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2n(C)c1=O
29721 CCn1c2nccc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)cc3)c2n(CC)c1=O
29722 Fc1ccc(cc1NC(=O)Nc1ccc(Sc2ccnc3[nH]c(=O)[nH]c23)cc1)C(F)(F)F
29723 FC(F)(F)c1cccc(NC(=O)Nc2ccc(Sc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29724 FC(F)(F)c1cc(NC(=O)Nc2ccc(Sc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl
29725 FC(F)(F)c1cc(NC(=S)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)ccc1Cl
29726 O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1ccccc1
29727 FC(F)(F)c1cc(ccc1Cl)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29728 FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29729 Brc1cccc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29730 COc1cccc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29731 Fc1cc(cc(c1)C(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)N1CCOCC1
29732 O=C(Cc1ccccc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29733 COc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29734 Fc1cc(F)cc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29735 FC(F)(F)Oc1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29736 FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)c1
29737 FC(F)(F)c1cc(ccc1Cl)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29738 O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2[nH]1
29739 Clc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29740 FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29741 Fc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29742 O=c1[nH]c2nccc(Oc3ccc(NS(=O)(=O)c4cccs4)cc3)c2[nH]1
29743 Fc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1
29744 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C |r|
29745 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CCC(C)C |r|
29746 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)CCC(C)C |r|
29747 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
29748 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
29749 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
29750 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
29751 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
29752 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
29753 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 |r|
29754 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1 |r|
29755 CCNc1cc(N2CCCC2=O)c(F)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29756 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29757 CCNc1cc(cc(N2CCCC2=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29758 CCNc1cc(cc(N2CCCC2=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29759 CCNc1cc(cc(N2CCCCS2(=O)=O)c1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29760 CCNc1cc(cc(N2CCCCS2(=O)=O)c1OC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29761 CCn1cnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29762 CCn1ccc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29763 CCc1c[nH]c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29764 CCn1ncc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29765 CCn1nnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29766 CCc1cn(C)c2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29767 CCc1coc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29768 CCc1ccnc2c(cc(cc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
29769 CCn1c2cc(cc(N3CCCC3=O)c2[nH]c1=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
29770 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
29771 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cncc(c1)C#N)N1CCCCS1(=O)=O |r|
29772 CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r,c:14,t:16|
29773 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29774 CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1)N1CCCCS1(=O)=O |r|
29775 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29776 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29777 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
29778 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
29779 CCN1CCN2CCS(=O)(=O)N(C)C3C=C(C=C1C23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r,c:14,t:16|
29780 CCNc1cc(cc2N(C)S(=O)(=O)CCCc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
29781 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
29782 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
29783 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)CCCC(C)C |r|
29784 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
29785 CCc1cn2CS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC |r|
29786 CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
29787 CCc1cn2CCCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
29788 CCc1cn2CCS(=O)(=O)Nc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |r|
29789 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29790 CCc1cn2CCS(=O)(=O)N(C(C)C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29791 CCc1cn2CCS(=O)(=O)N(CC(F)(F)F)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29792 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1 |r|
29793 CCN1c2cc(cc3c(CC)cn(CCS1(=O)=O)c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
29794 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29795 COCc1ccc(CC(=O)Nc2cncc(c2)C(=O)c2cn(C)c3ncncc23)cc1
29796 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCC(F)(F)F |r|
29797 Cn1cc(C(=O)c2cncc(NC(=O)Cn3cnc(Cl)c3Cl)c2)c2cncnc12
29799 CC[C@@H](C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 |r|
29800 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
29801 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
29802 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
29803 CCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCn3cc(CC)c(c1)c23 |r|
29804 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
29805 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r|
29806 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1 |r|
29807 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC#C |r|
29808 CCc1cn2CCS(=O)(=O)Oc3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1 |r|
29809 CCCNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2N(C)S(=O)(=O)CCc3cn(CC)c(c1)c23 |r|
29810 CCc1cn2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF |r|
29811 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCCF |r|
29812 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)F |r|
29813 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)C(F)(F)F |r|
29814 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC(F)(F)F |r|
29815 CCn1cc2CCS(=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNc1ccccc1 |r|
29816 COc1ccc(cc1OC)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
29817 COCCOc1cc(ccc1OC)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
29818 COCCOc1cc(ccc1OC)-c1cncc(C#N)c1Nc1ccc2[nH]ccc2c1
29819 COCCOc1cc(ccc1OC)-c1cncc(C#N)c1Nc1ccc2cc[nH]c2c1
29820 COCCOc1cccc(c1)-c1cncc(C#N)c1Nc1cccc2[nH]ccc12
29821 N#Cc1cncc(-c2cccc(OCCN3CCCC3)c2)c1Nc1cccc2[nH]ccc12
29822 N#Cc1cncc(-c2cccc(OCCN3CCCCC3)c2)c1Nc1cccc2[nH]ccc12
29823 N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1cccc2[nH]ccc12
29824 CN1CCN(CCOc2cccc(c2)-c2cncc(C#N)c2Nc2cccc3[nH]ccc23)CC1
29825 N#Cc1cncc(-c2cccc(OCCN3CCCC3)c2)c1Nc1ccc2[nH]ccc2c1
29826 N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2[nH]ccc2c1
29827 N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1ccc2cc[nH]c2c1
29828 Fc1ccc2OC3(CCN(CC3)C(=O)C3(CC3)c3ccccc3)CC(=O)c2c1
29829 Clc1ccc(cc1)C1(CC1)C(=O)N1CCCC2(CCc3ccccc23)C1
29830 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CCc3ccccc23)C1
29831 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:21|
29832 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCc1ccccc21
29833 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2
29834 Fc1ccc(cc1)C1(CC1)C(=O)N1CCC2(C1)CCCCC2
29835 Fc1ccc(CC(=O)N2CCC3(C2)CCCCC3)cc1
29836 Clc1ccc(CC(=O)N2CCC3(C2)CCCCC3)cc1
29837 O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccn1
29838 O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccncc1
29839 CC(C)(C(=O)N1CCC2(C1)CCCCC2)c1ccccc1
29840 O=C(N1CCC2(C1)CCCCC2)C1(CC1)c1ccccc1
29841 CCN(CC)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
29842 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCOCC2)n1
29843 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCCC2)n1
29844 CN1CCN(CC1)C(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
29845 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCSCC2)n1
29846 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)n1
29847 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCCC2)n1
29848 Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(CC(O)=O)n1
29849 Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)n1
29850 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)n1
29851 Cc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1
29852 COc1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1
29853 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)n1
29854 Cc1cccc(NS(=O)(=O)c2ccc3ccccc3c2)n1
29855 Cc1cccc(NS(=O)(=O)c2cccc3ccccc23)n1
29856 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)n1
29857 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(F)cc2)n1
29858 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n1
29859 Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1cccc(C)n1
29860 Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
29861 CCc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
29862 O=S(=O)(Nc1cccc(n1)C1CC1)c1ccc(cc1)-c1ccc(cc1)C#N
29863 CC(C)c1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
29864 Nc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
29865 CNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
29866 CCNc1cccc(NS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)n1
29867 COCCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
29868 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)ccc1OCC(O)=O
29869 COCCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c(C)c1C
29870 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#N)ccc1OCC(O)=O
29871 Cc1cc(COc2cc(COc3ccc(cc3)C(F)(F)F)ccc2Sc2ccc(OCC(O)=O)c(C)c2C)no1
29872 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2cccnc2)ccc1OCC(O)=O
29873 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCc2ccncc2)ccc1OCC(O)=O
29874 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC2CCCO2)ccc1OCC(O)=O
29875 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCCN2CCOCC2)ccc1OCC(O)=O
29876 Cc1c(C)c(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCCN2CCCC2)ccc1OCC(O)=O
29877 OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#C)c2CCCCc12
29878 CC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29879 CCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29880 CC(C)(O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29881 OCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29882 OCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29883 C[C@H](O)C#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12 |r|
29884 COCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29885 COCCC#CCOc1cc(COc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29886 OC(=O)COc1ccc(Sc2ccc(COc3ccc(cc3)C(F)(F)F)cc2OCC#Cc2cccnc2)c2CCCCc12
29887 CCC#CCOc1cc(COc2cccc(c2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29888 CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29889 CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29890 CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29891 CCC#CCOc1cc(COc2ccc(cn2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29892 CCC#CCOc1cc(CNc2ccc(cc2)C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29893 CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29894 CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29895 CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12
29896 Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
29897 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnn[nH]4)cc23)C#N)cc1Cl
29898 CC(C)(C)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29899 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4ccccc4)cc23)C#N)cc1Cl
29900 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccccc5)nn4)cc23)C#N)cc1Cl
29901 OC(=O)Cn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29902 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCC5CCCN5)nn4)cc23)C#N)cc1Cl
29903 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5cccnc5)nn4)cc23)C#N)cc1Cl
29904 CC(C)(C)n1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29905 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(nn4)-c4ccccc4)cc23)C#N)cc1Cl
29906 OC(=O)Cn1cc(CNc2cc(Br)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29907 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(CCC5CCCN5)nn4)cc23)C#N)cc1Cl
29908 Fc1ccc(Nc2c(cnc3c(Br)cc(NCc4cn(Cc5cccnc5)nn4)cc23)C#N)cc1Cl
29909 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccncc5)nn4)cc23)C#N)cc1Cl
29910 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(Cc5ccccn5)nn4)cc23)C#N)cc1Cl
29911 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4cccnc4)cc23)C#N)cc1Cl
29912 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)-c4ccncc4)cc23)C#N)cc1Cl
29913 NCCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29914 NCCCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29915 CN(C)CCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29916 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCCCC5)nn4)cc23)C#N)cc1Cl
29917 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCCCCC5)nn4)cc23)C#N)cc1Cl
29918 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(CCN5CCOCC5)nn4)cc23)C#N)cc1Cl
29919 CN1CCCC1CCn1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29920 CCN1CCC(CCn2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1
29921 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)C4CCNCC4)cc23)C#N)cc1Cl
29922 CN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29923 CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29924 CCCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29925 CC(C)N1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1
29926 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cn(nn4)C4CCN(CC4)C4CCC4)cc23)C#N)cc1Cl
29927 [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@H](OCCCOC)c1ccccc1 |r|
29928 [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r|
29929 [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1 |r|
29930 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCO)c1cccc(Cl)c1 |r|
29931 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOC)c1cccc(F)c1 |r|
29932 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOC)c1cccc(Cl)c1F |r|
29933 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOC)c1cccc(Cl)c1Cl |r|
29934 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1ccccc1 |r|
29935 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1 |r|
29936 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(F)c1 |r|
29937 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@H](OCCCOCC)c1cccc(Cl)c1Cl |r|
29938 [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@](O)(CCCCOCC)c1ccccc1 |r|
29939 [H][C@]1(CCCN(C1)C(=O)N[C@H](CN)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1 |r|
29940 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCO)c1cccc(Cl)c1 |r|
29941 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1 |r|
29942 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOCC)c1ccccc1 |r|
29943 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1Cl |r|
29944 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1ccccc1F |r|
29945 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(C)c1 |r|
29946 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(CC)c1 |r|
29947 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(OC)c1 |r|
29948 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(F)c1 |r|
29949 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r|
29950 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Br)c1 |r|
29951 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(c1)C#N |r|
29952 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(c1)C(F)(F)F |r|
29953 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(OC(F)(F)F)c1 |r|
29954 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNCC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r|
29955 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNCC(F)(F)F)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1 |r|
29956 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(F)c1F |r|
29957 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cccc(Cl)c1F |r|
29958 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cc(C)ccc1F |r|
29959 [H][C@]1(CCCN(C1)C(=O)N[C@H](CNC)CC1CCCCC1)[C@@](O)(CCCCOC)c1cc(F)cc(Cl)c1 |r|
29960 CC(C)NCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
29962 CC(C)CNCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
29963 CC(C)CCNCc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
29964 Cc1c(CNC2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
29965 CN(Cc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCCCC1
29966 CC(C)N(Cc1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1CCCCC1
29967 Cc1c(CN2CCCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
29968 Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
29969 Cc1c(CNC2CCCC2)nn(c1-c1ccccn1)-c1ccc(Cl)cc1Cl
29970 Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ccc(Cl)cc1Cl
29971 Cc1c(CNC2CCCC2)nn(c1-c1ccncc1)-c1ccc(Cl)cc1Cl
29972 Cc1c(CNC2CCCC2)nn(c1-c1cccnc1)-c1ncccc1Cl
29973 Cc1c(CNC2CCCC2)nn(c1-c1ccc(Cl)nc1)-c1ncccc1Cl
29974 Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
29975 CCc1ccc(cn1)-c1c(C)c(CNC2CCCC2)nn1-c1ncccc1Cl
29976 Cc1c(CNC2CCCC2)nn(c1-c1ccc(nc1)C(F)(F)F)-c1ncccc1Cl
29977 Cc1c(CNC2CCCC2)nn(c1-c1cncc(C)c1)-c1ncccc1Cl
29978 Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1C
29979 Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1C(F)(F)F
29980 Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncccc1S(C)(=O)=O
29981 Cc1c(CNC2CCCC2)nn(c1-c1ccc(C)nc1)-c1ncc(Cl)cc1Cl
29982 Cc1c(CNC2CCCC2F)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
29983 Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl |r|
29984 Cc1c(CNC2CCC(F)(F)C2)nn(c1-c1ccc(C)nc1)-c1ncccc1Cl
29985 Cc1c(CNC2CCCC2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl
29986 Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(c1-c1cnc(C)c(F)c1)-c1ncccc1Cl |r|
29987 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
29988 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N(C)C(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;6.09,-2.49,;8.33,-1.05,;9.17,-2.34,;9.04,.32,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
29989 CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
29990 CCN1CCN(CC1)c1cc2[nH]c(nc2cc1C)C(=O)[C@@]1(C)CC[C@@H](CC1)NC(=O)OC |r,wU:20.23,24.30,wD:20.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;6.66,1.54,;5.83,2.84,;6.79,-1.12,;8.33,-1.05,;9.04,.32,;9.17,-2.34,;10.71,-2.26,)|
29991 CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)C1(C)CCC(=O)CC1
29992 CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.28,wD:20.22,24.27,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
29993 CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@@]1(C)CC[C@@](C)(O)CC1 |r,wU:20.23,24.27,wD:20.22,24.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;3.59,1.39,;4.42,.1,;5.96,.17,;5.96,-1.37,;7.45,-.23,;6.66,1.54,;5.83,2.84,)|
29994 CCN1CCN(CC1)c1cc2[nH]c(nc2cc1Cl)C(=O)[C@]1(CC)CC[C@@](C)(O)CC1 |r,wU:20.23,25.29,wD:20.22,25.28,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,;3.2,3.85,;3.97,5.18,;4.29,2.76,;4.84,4.2,;6.37,4.44,;5.83,2.84,;6.66,1.54,;5.96,.17,;5.96,-1.37,;7.45,-.23,;4.42,.1,;3.59,1.39,)|
29995 C[C@@H]1CN(CCO)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
29996 CCN1CCN([C@H](C)C1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
29997 C[C@@H]1CN(CC(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
29998 C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
29999 C[C@@H]1CN(CC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
30000 C[C@@H]1CN(CCC#N)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
30001 C[C@@H]1CN(CC(C)=O)CCN1c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl |r|
30002 CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)C)nc2cc1Cl
30003 CCN1CCN(CC1)c1cc2[nH]c(SC(C)(C)CCNC(=O)OC)nc2cc1Cl
30004 CCOC(=O)N1CCC(C)(CC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CC)CC1
30005 CCN1CCN(CC1)c1cc2[nH]c(S[C@]3(C)CC[C@@H](CC3)NC(=O)OC)nc2cc1Cl |r,wU:14.15,wD:14.14,18.22,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;5.48,2.82,;6.5,1.67,;6.01,.21,;4.51,-.1,;3.48,1.06,;7.04,-.94,;6.55,-2.4,;5.04,-2.71,;7.57,-3.56,;7.08,-5.02,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30007 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](C3)NC(=O)OC)nc2cc1Cl |r|
30008 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NC(C)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.04,-2.71,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30010 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)NS(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;7.57,-3.56,;5.06,-2,;5.78,-3.74,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30011 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)N3CCCC3=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.75,-2.46,;8.11,-3.19,;9.22,-2.13,;8.56,-.74,;9.3,.61,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30012 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)C(=O)NC)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.55,-2.4,;8.54,-.63,;9.57,-1.79,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30013 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)S(C)(=O)=O)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.52,-.54,;5.7,-1.71,;7.81,-2.28,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30014 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnn(C)n3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.68,-2.44,;7.99,-3.24,;9.16,-2.24,;10.66,-2.6,;8.57,-.82,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30015 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnnn3C)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;7.99,-3.24,;6.68,-2.44,;5.25,-3.03,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30016 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nc(C)no3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;8.57,-.82,;9.16,-2.24,;10.66,-2.6,;7.99,-3.24,;6.68,-2.44,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30017 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnco3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30018 CCN1CCN(CC1)c1cc2[nH]c(S[C@@]3(C)CC[C@@H](CC3)c3nnc(C)o3)nc2cc1Cl |r,wU:14.15,18.22,wD:14.14,(-10.04,.77,;-8.71,,;-7.38,.77,;-7.38,2.31,;-6.04,3.08,;-4.71,2.31,;-4.71,.77,;-6.04,,;-3.38,3.08,;-2.04,2.31,;-.71,3.08,;.76,2.6,;1.66,3.85,;3.2,3.85,;3.97,2.52,;4.74,3.85,;3.48,1.06,;4.51,-.1,;6.01,.21,;6.5,1.67,;5.48,2.82,;7.04,-.94,;6.69,-2.44,;8.01,-3.24,;9.17,-2.23,;10.67,-2.58,;8.57,-.81,;.76,5.1,;-.71,4.62,;-2.04,5.39,;-3.38,4.62,;-4.71,5.39,)|
30019 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:17|
30020 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC2CCCC2)c1 |c:17|
30021 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OCC2CC2)c1 |c:17|
30022 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC(F)F)c(OCC2CC2)c1 |c:17|
30023 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC2CCOC2)c1 |c:17|
30024 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(O[C@@H]2CCOC2)c1 |r,c:17|
30025 COc1ccc(OC)c(c1)-c1nnc2ccc(nn12)-c1ccc(OC)c(O[C@H]2CCOC2)c1 |r|
30026 COc1ccc(OC)c(c1)-c1nnc2ccc(nn12)-c1ccc(OC)c(O[C@@H]2CCOC2)c1 |r|
30027 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:11|
30028 COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:16|
30029 COc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:15|
30030 COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(OC(F)F)c(OCC2CC2)c1 |c:15|
30031 COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:16|
30032 COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |r,t:16|
30033 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:11|
30034 COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:16|
30035 COc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:15|
30036 FC(F)Oc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:17|
30037 COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:16|
30038 COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |r,t:16|
30039 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:11|
30040 COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:16|
30041 FC(F)Oc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:17|
30042 COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:16|
30043 COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |r,t:16|
30044 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:11|
30045 COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:16|
30046 COc1ccc(cc1OCC1CC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:15|
30047 COc1ccc(cc1OC1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |t:16|
30048 COc1ccc(cc1O[C@@H]1CCOC1)C1=Nn2c(SC1)nnc2-c1ccccc1C(F)(F)F |r,t:16|
30049 Cn1cc(C(=O)c2cncc(c2)N(N)C(=O)Cc2n[nH]c3CCCc23)c2cncnc12
30050 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:15|
30051 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:15|
30052 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1cccc(OC)c1OC |t:11|
30053 COc1ccc(-c2nnc3SCC(=Nn23)c2ccc(OC)c(OC)c2)c(OC)c1 |c:12|
30054 Cn1cc(cn1)-n1nc(cc1NC(=O)Nc1cncc(c1)C(=O)c1cn(C)c2ncncc12)C(C)(C)C
30055 COc1ccc(cc1OC)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:17|
30056 COc1cc(OC)cc(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:17|
30057 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1C |t:11|
30058 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:16|
30059 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1O |t:11|
30060 COc1ccccc1-c1nnc2SCC(=Nn12)c1ccccc1OC |c:15|
30061 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1ccccc1OC |c:15|
30062 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccccc1OC |c:15|
30063 COc1cccc(-c2nnc3SCC(=Nn23)c2ccccc2OC)c1OC |c:13|
30064 COc1ccc(-c2nnc3SCC(=Nn23)c2ccccc2OC)c(OC)c1 |c:12|
30065 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccccc1OC |c:17|
30066 COc1ccc(cc1OC)-c1nnc2SCC(=Nn12)c1ccccc1OC |c:17|
30067 COc1cc(OC)cc(c1)-c1nnc2SCC(=Nn12)c1ccccc1OC |c:17|
30068 COc1ccccc1C1=Nn2c(SC1)nnc2-c1ccccc1C |t:9|
30069 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1ccccc1OC |c:16|
30070 COc1ccccc1C1=Nn2c(SC1)nnc2-c1ccccc1O |t:9|
30071 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:9|
30072 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1cccc(OC)c1 |c:15|
30073 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1cccc(OC)c1 |c:15|
30074 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cccc(OC)c1OC |t:9|
30075 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccc(OC)cc1OC |t:9|
30076 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(OC)ccc1OC |t:9|
30077 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccc(OC)c(OC)c1 |t:9|
30078 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(OC)cc(OC)c1 |t:9|
30079 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccccc1C |t:9|
30080 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1cccc(OC)c1 |c:16|
30081 COc1cccc(c1)C1=Nn2c(SC1)nnc2-c1ccccc1O |t:9|
30082 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:9|
30083 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccc(OC)c1 |t:9|
30084 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(OC)cc1 |c:15|
30085 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccc(OC)c1OC |t:9|
30086 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccc(OC)cc1OC |t:9|
30087 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(OC)ccc1OC |t:9|
30088 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccc(OC)c(OC)c1 |t:9|
30089 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(OC)cc(OC)c1 |t:9|
30090 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1C |t:9|
30091 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(OC)cc1 |c:16|
30092 COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1O |t:9|
30093 COc1ccc(C2=Nn3c(SC2)nnc3-c2ccccc2OC)c(OC)c1 |t:6|
30094 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)cc1OC |c:15|
30095 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(OC)cc1OC |c:15|
30096 COc1ccc(C2=Nn3c(SC2)nnc3-c2cccc(OC)c2OC)c(OC)c1 |t:6|
30097 COc1ccc(-c2nnc3SCC(=Nn23)c2ccc(OC)cc2OC)c(OC)c1 |c:12|
30099 COc1ccc(C2=Nn3c(SC2)nnc3-c2ccc(OC)c(OC)c2)c(OC)c1 |t:6|
30100 COc1ccc(C2=Nn3c(SC2)nnc3-c2cc(OC)cc(OC)c2)c(OC)c1 |t:6|
30101 COc1ccc(C2=Nn3c(SC2)nnc3-c2ccccc2C)c(OC)c1 |t:6|
30102 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(OC)cc1OC |c:16|
30103 COc1ccc(C2=Nn3c(SC2)nnc3-c2ccccc2O)c(OC)c1 |t:6|
30104 COc1ccc(OC)c(c1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:11|
30105 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:15|
30106 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:15|
30107 COc1ccc(OC)c(c1)C1=Nn2c(SC1)nnc2-c1cccc(OC)c1OC |t:11|
30108 COc1ccc(-c2nnc3SCC(=Nn23)c2cc(OC)ccc2OC)c(OC)c1 |c:12|
30109 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:17|
30110 COc1ccc(OC)c(c1)C1=Nn2c(SC1)nnc2-c1ccc(OC)c(OC)c1 |t:11|
30111 COc1ccc(OC)c(c1)C1=Nn2c(SC1)nnc2-c1cc(OC)cc(OC)c1 |t:11|
30112 COc1ccc(OC)c(c1)C1=Nn2c(SC1)nnc2-c1ccccc1C |t:11|
30113 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:16|
30114 COc1ccc(OC)c(c1)C1=Nn2c(SC1)nnc2-c1ccccc1O |t:11|
30115 COc1ccccc1-c1nnc2SCC(=Nn12)c1c(OC)cccc1OC |c:15|
30116 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1c(OC)cccc1OC |c:15|
30117 COc1ccc(cc1)-c1nnc2SCC(=Nn12)c1c(OC)cccc1OC |c:15|
30118 COc1cccc(-c2nnc3SCC(=Nn23)c2c(OC)cccc2OC)c1OC |c:13|
30119 COc1ccc(-c2nnc3SCC(=Nn23)c2c(OC)cccc2OC)c(OC)c1 |c:12|
30120 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1c(OC)cccc1OC |c:17|
30122 COc1cc(OC)cc(c1)-c1nnc2SCC(=Nn12)c1c(OC)cccc1OC |c:17|
30123 COc1cccc(OC)c1C1=Nn2c(SC1)nnc2-c1ccccc1C |t:11|
30124 CCOc1ccccc1-c1nnc2SCC(=Nn12)c1c(OC)cccc1OC |c:16|
30125 COc1cccc(OC)c1C1=Nn2c(SC1)nnc2-c1ccccc1O |t:11|
30126 COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11|
30127 COc1ccc(cc1OC)C1=NN(CCCCCBr)C(=O)C2CC=CCC12 |c:24,t:11|
30128 COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:23,27|
30129 COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1 |c:24,28|
30130 CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
30131 COc1ccc(F)cc1CCC1CCC(CCN)O1
30132 COc1ccc(F)cc1CCCC1CCC(CCN)O1
30133 CNCCC1CCC(CCc2cc(F)ccc2OC)O1
30134 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCNCC2)C(=O)NO)c2ccccc2n1
30135 CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCNCC1)C(=O)NO
30136 CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCNCC1)C(=O)NO
30137 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C=O)C(=O)NO)c2ccccc2n1
30138 CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
30139 CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(C)=O)C(=O)NO
30140 CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
30141 CC(C)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
30142 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccccc2)C(=O)NO)c2ccccc2n1
30143 CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
30144 CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)c1ccccc1)C(=O)NO
30145 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)c2ccncc2)C(=O)NO)c2ccccc2n1
30146 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)NO)c2ccccc2n1
30147 CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO
30148 CCNC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
30149 CCN(CC)C(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
30150 CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
30151 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccncc3)CC2)C(=O)NO)c2ccccc2n1
30152 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)C(=O)NO)c2ccccc2n1
30153 CC#CCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO
30154 Cc1cc(COc2ccc(cc2)S(=O)(=O)C2(CCN(CC2)S(C)(=O)=O)C(=O)NO)c2ccccc2n1
30155 CC(C)S(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
30156 CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30158 CC(C)N(C)c1ccc2nc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
30159 CC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cnc2n1
30160 CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2s1
30161 CN(C)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30162 CCN(C)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30163 CN(C1CC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30164 CN(C1CCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30165 CN(C1CCCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30166 CN(C1CCOC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30167 CN(C1CCN(C1)C(C)=O)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30168 CN(C1CCN(C)CC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30169 CCN(C1CCCCC1)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2[nH]1
30170 FC(F)(F)c1ccc(CCC(=O)Nc2ccc3nc([nH]c3c2)N2CCOCC2)cc1
30171 CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(cn3)C(F)(F)F)cc2[nH]1
30172 CC(C)N(C)c1nc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cn3)C(F)(F)F)cc2[nH]1
30173 CC(C)N(C)c1nc2ccc(NC(=O)c3ccc(nc3)-c3ccccc3)cc2[nH]1
30174 CC(C)N(C)c1nc2ccc(NC(=O)c3ccc(nc3)-c3ccc(F)cc3)cc2[nH]1
30175 CC(C)N(C)c1nc2ccc(NC(=O)c3cncc(c3)-c3ccc(F)cc3)cc2[nH]1
30176 CC(C)N(C)c1nc2ccc(NC(=O)c3ncc(cn3)-c3ccc(F)cc3)cc2[nH]1
30177 CC(C)N(C)c1nc2ccc(NC(=O)c3cnc(cn3)-c3ccc(F)cc3)cc2[nH]1
30178 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
30179 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccncc1
30180 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cccnc1
30181 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cncnc1
30182 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccsc1
30183 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccc2ccccc2c1
30184 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cc2ccccc2s1
30185 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
30186 Oc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30187 Oc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30188 Oc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30189 Clc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30190 Clc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30191 Clc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30192 Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30193 Fc1cccc(c1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30194 Fc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30195 FC(F)(F)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30196 O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccc(cc1)C#N
30197 CC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30198 COc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30199 Nc1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30200 OC(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30201 O=C(NC1CC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30202 O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30203 O=C(NC1CCCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30204 O=C(NCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30205 O=C(NCCc1ccccc1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30206 CN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
30207 CC1CNC(=O)c2[nH]c3ccccc3c12
30208 CC1CNC(=O)c2[nH]c3ccc(C)cc3c12
30209 CC1CNC(=O)c2[nH]c3ccc(cc3c12)-c1ccccc1
30210 CC1CNC(=O)c2[nH]c3ccc(Br)cc3c12
30211 CC1CNC(=O)c2[nH]c3ccc(O)cc3c12
30212 COc1ccc2[nH]c3c(C(C)CNC3=O)c2c1
30213 CC1CNC(=O)c2[nH]c3ccc(OCc4ccccc4)cc3c12
30214 CC1CNC(=O)c2[nH]c3ccc(NC(C)=O)cc3c12
30215 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(N)=O
30216 CNC(=O)c1ccc2[nH]c3c(C(C)CNC3=O)c2c1
30217 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)N(C)C
30218 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)NC1CCCCC1
30219 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCCCC1
30220 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccccc1
30221 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)NCc1ccccc1
30222 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)NCCc1ccccc1
30223 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccnc1
30224 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccncc1
30225 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nccs1
30226 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccon1
30227 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccncn1
30228 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cnccn1
30229 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ncccn1
30230 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc2ccccc2s1
30231 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccccc1C
30232 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccccc1F
30233 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccccc1Br
30234 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccccc1C#N
30235 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccccc1C(N)=O
30236 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(C)c1
30237 CC(C)c1cccc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)c1
30238 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(c1)C(C)(C)C
30239 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(F)c1
30240 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(Cl)c1
30241 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(Br)c1
30242 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(c1)C#N
30243 CCOC(=O)c1cccc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)c1
30244 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(NC(C)=O)c1
30245 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1cccc(c1)C(N)=O
30246 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(C)cc1
30247 CC(C)c1ccc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)cc1
30248 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(cc1)C(C)(C)C
30249 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(F)cc1
30250 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(Cl)cc1
30251 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(Br)cc1
30252 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(cc1)C#N
30253 COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)cc1
30254 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(NC(C)=O)cc1
30255 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(cc1)C(N)=O
30256 COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)cn1
30257 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ccc(nc1)C(N)=O
30258 COC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)n1
30259 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(N)=O
30260 COC(=O)c1cnc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)s1
30261 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ncc(s1)C(N)=O
30262 CNC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)n1
30263 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)N(C)C
30264 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCN(C)C
30265 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCN
30266 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCCN(C)C
30267 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCC(N)=O
30268 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCC(N)=O
30269 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NCCO
30270 CCCNC(=O)c1csc(NC(=O)c2ccc3[nH]c4c(C(C)CNC4=O)c3c2)n1
30271 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCCCC1
30272 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)N1CCC(CC1)N(C)C
30273 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1nc(cs1)C(=O)NC1CCN(C)CC1
30274 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ncc(s1)C(=O)NCCN(C)C
30275 CC1CNC(=O)c2[nH]c3ccc(cc3c12)C(=O)Nc1ncc(s1)C(=O)NCCCN(C)C
30276 O=C(Nc1cccnc1)c1ccc2[nH]c3c(CCNC3=O)c2c1
30277 NCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1
30278 OCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1
30279 NCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30280 OCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30281 CNCC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30282 CN(C)CC1Cc2c([nH]c3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30283 O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCn3c2c1
30284 NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r|
30285 NC[C@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1 |r|
30286 CC1Cn2c(cc3ccc(cc23)C(=O)Nc2cccnc2)C(=O)N1
30287 O=C(Nc1nccs1)c1ccc2cc3C(=O)NCCn3c2c1
30288 NC[C@@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 |r|
30289 NC[C@H]1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1 |r|
30290 OCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30291 CC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30292 CNCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30293 CCNCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30294 CCCNCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30295 CC(C)NCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30296 CN(C)CC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30297 CC(=O)NCC1Cn2c(cc3ccc(cc23)C(=O)Nc2nccs2)C(=O)N1
30298 O=C(Nc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1
30299 O=C(Nc1nccs1)c1ccc2cc3C(=O)NCCCn3c2c1
30300 NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1
30301 CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1cccnc1
30302 NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30303 OCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30304 CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30305 CNCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30306 CCNCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30307 CN(C)CC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30308 CC(=O)NCC1CNC(=O)c2cc3ccc(cc3n2C1)C(=O)Nc1nccs1
30309 Fc1ccc(cc1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
30310 Fc1cccc(c1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
30311 COc1ccc(cc1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
30312 COc1cccc(c1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
30313 O=c1[nH]cnc2[nH]c(cc12)-c1ccnc(c1)-c1ccc(CN2CCOCC2)cc1
30314 O=C(NC1CCCC1)c1ccc(cc1)-c1cc(ccn1)-c1cc2c(nc[nH]c2=O)[nH]1
30315 O=c1[nH]cnc2[nH]c(cc12)-c1ccnc(C=Cc2ccccc2)c1 |w:16.18|
30316 Fc1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:5.4|
30317 Nc1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:17.19|
30318 FC(F)(F)c1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:20.22|
30319 Cc1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:17.19|
30320 CCCCc1nc2[nH]c(cc2c(=O)[nH]1)-c1ccnc(C=Cc2ccccc2)c1 |w:20.22|
30321 O=c1[nH]c(Cc2ccccc2)nc2[nH]c(cc12)-c1ccnc(C=Cc2ccccc2)c1 |w:23.26|
30322 O=C(N1CCOCC1)c1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:12.12|
30323 O=c1[nH]cnc2[nH]c(cc12)-c1ccnc(C=Cc2ccc(CN3CCOCC3)cc2)c1 |w:16.18|
30324 CN(C)CCOc1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:10.9|
30325 CCN(CC)Cc1ccc(C=Cc2cc(ccn2)-c2cc3c(nc[nH]c3=O)[nH]2)cc1 |w:10.9|
30326 C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccc(O)cc1 |r,c:9,t:7|
30327 C[C@]12CCC3C(CC=C4C=C(CC[C@]34C)C(O)=O)C1CC[C@@H]2C(=O)c1ccccc1 |r,c:9,t:7|
30328 COC(=O)C1=CC2=CCC3C4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CCC3[C@@]2(C)CC1 |r,t:4,6|
30329 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2c(cccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-13.06,-2.19,;-14.39,-2.96,;-11.73,-2.96,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
30330 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cc(ccc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,-.65,;-17.06,.12,;-15.73,-2.19,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
30331 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2ccc(cc2c1)C(O)=O)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-11.73,1.66,;-10.39,2.43,;-15.73,2.43,;-17.06,1.66,;-15.73,3.97,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
30332 CC(C)c1onc(c1COc1ccc(cc1)-c1ccc2cccc(C(O)=O)c2c1)-c1c(Cl)cccc1Cl |(-3.6,6.71,;-2.16,7.25,;-1.91,8.77,;-.97,6.27,;.52,6.66,;1.35,5.37,;.38,4.18,;-1.06,4.74,;-2.39,3.97,;-3.73,4.74,;-5.06,3.97,;-6.39,4.74,;-7.73,3.97,;-7.73,2.43,;-6.39,1.66,;-5.06,2.43,;-9.06,1.66,;-9.06,.12,;-10.39,-.65,;-11.73,.12,;-13.06,-.65,;-14.39,.12,;-14.39,1.66,;-13.06,2.43,;-13.06,3.97,;-14.39,4.74,;-11.73,4.74,;-11.73,1.66,;-10.39,2.43,;.76,2.69,;-.28,1.55,;-1.78,1.89,;.18,.08,;1.68,-.26,;2.73,.88,;2.27,2.35,;3.31,3.48,)|
30333 COc1ccccc1-c1noc(C(C)C)c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1
30334 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1ccc(cc1Cl)S(C)(=O)=O
30335 CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cncc1Cl |(-7.17,-1.58,;-8.7,-1.74,;-9.32,-3.15,;-9.6,-.5,;-11.14,-.5,;-11.62,.97,;-10.37,1.87,;-9.13,.97,;-7.79,1.74,;-6.46,.97,;-5.13,1.74,;-3.79,.97,;-2.46,1.74,;-2.46,3.28,;-1.12,4.05,;.21,3.28,;1.54,4.05,;1.54,5.59,;2.88,6.36,;4.21,5.59,;4.21,4.05,;2.88,3.28,;5.54,3.28,;5.54,1.74,;6.88,4.05,;-3.79,4.05,;-3.79,5.59,;-5.13,3.28,;-10.37,3.41,;-11.71,4.18,;-13.04,3.41,;-11.71,5.72,;-10.37,6.49,;-9.04,5.72,;-9.04,4.18,;-7.7,3.41,)|
30336 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cncc1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-9.66,3.32,;-9.66,4.86,;-8.32,5.63,)|
30337 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)c[n+]([O-])cc1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-10.99,1.01,;-9.66,3.32,;-9.66,4.86,;-8.32,5.63,)|
30338 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1cc[nH]c(=O)c1Cl
30339 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1ccn(C)c(=O)c1Cl
30340 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)cn(C)c(=O)c1Cl |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-10.99,1.01,;-9.66,3.32,;-8.32,2.55,;-9.66,4.86,;-8.32,5.63,)|
30341 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1c(Cl)ccc(=O)n1C |(-7.74,10.6,;-9.27,10.77,;-9.88,12.18,;-10.19,9.53,;-11.73,9.55,;-12.21,8.09,;-10.98,7.17,;-9.72,8.07,;-8.39,7.3,;-7.05,8.07,;-5.72,7.3,;-5.72,5.76,;-4.39,4.99,;-3.05,5.76,;-3.05,7.3,;-1.72,8.07,;-4.39,8.07,;-1.65,5.13,;-.4,6.03,;1.01,5.41,;1.17,3.88,;2.41,2.97,;1.94,1.51,;.4,1.51,;-.51,.26,;-.08,2.97,;-1.49,3.6,;3.88,3.45,;5.21,2.68,;4.04,4.98,;-10.99,5.63,;-12.32,4.86,;-13.66,5.63,;-12.32,3.32,;-10.99,2.55,;-9.66,3.32,;-8.32,2.55,;-9.66,4.86,;-8.32,5.63,)|
30342 COc1ccc(Cl)c(n1)-c1noc(C(C)Cl)c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O
30343 CC(Cl)c1onc(c1COc1ccc(c(C)c1)-c1ccc2c(cn(C)c2c1)C(O)=O)-c1[nH]c(=O)ccc1Cl
30344 CN1C(=O)N(C[C@@H]([C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)NO)C(=O)C1(C)C |r|
30345 CN(C)c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30346 CN(C)c1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCNCC1)C(O)=O |r|
30347 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
30348 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccccc1)C(O)=O |r|
30349 CCOc1cccc(c1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30350 COc1ccc(cc1OC)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30351 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccncc1)C(O)=O |r|
30352 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccccn1)C(O)=O |r|
30353 COc1ccc(cn1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30354 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1cc2ccccc2o1)C(O)=O |r|
30355 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1cc2ccccc2s1)C(O)=O |r|
30356 CN(C)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30357 Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30358 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1)C(O)=O |r|
30359 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30360 CCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30361 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(o1)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
30362 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(o1)-c1ccc(F)c(F)c1)C(O)=O |r|
30363 CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(o1)-c1ccc2OCOc2c1)C(O)=O |r|
30364 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)N1CCCCC1)C(O)=O |r|
30365 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccccc1)C(O)=O |r|
30366 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(O)cc1)C(O)=O |r|
30367 COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
30368 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(F)(F)F)cc1)C(O)=O |r|
30369 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
30370 CCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
30371 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC(C)C)cc1)C(O)=O |r|
30372 COCCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)C)C(O)=O |r|
30373 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(C)cc1)C(O)=O |r|
30374 CC(C)OC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F)C(O)=O |r|
30375 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC)C(O)=O |r|
30376 CCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
30377 CCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
30378 CCCCOC(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
30379 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)C)C(O)=O |r|
30380 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(CC)CC)C(O)=O |r|
30381 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OCC(C)(C)C)C(O)=O |r|
30382 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O |r|
30383 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCCC1)C(O)=O |r|
30384 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)OC1CCOCC1)C(O)=O |r|
30385 COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)(C)C)C(O)=O |r|
30386 COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r|
30387 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)NC(C)C)C(O)=O |r|
30388 CCN(CC)C(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OC)cc1)C(O)=O |r|
30389 COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C(C)C)C(O)=O |r|
30390 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C(C)(C)C)C(O)=O |r|
30391 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)CC(C)(C)C)C(O)=O |r|
30392 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCCCC1)C(O)=O |r|
30393 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)C(=O)C1CCOCC1)C(O)=O |r|
30394 COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(O)=O |r|
30395 COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
30396 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)c1ccccc1)C(O)=O |r|
30397 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)Cc1ccccc1)C(O)=O |r|
30398 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)CC(C)C)C(O)=O |r|
30399 CCCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
30400 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(=O)(=O)C(C)C)C(O)=O |r|
30401 CCCS(=O)(=O)N1CCC(CC1)[C@@H](NS(=O)(=O)c1ccc(s1)-c1ccc(OCC)cc1)C(O)=O |r|
30402 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC1)S(C)(=O)=O)C(O)=O |r|
30403 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(Cc2ccccc2)CC1)C(O)=O |r|
30404 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC(C)C)CC1)C(O)=O |r|
30405 CCOc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N[C@H](C1CCN(CC(C)(C)C)CC1)C(O)=O |r|
30406 CC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:16|
30407 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30408 CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:15|
30409 COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(CCC(C)C)c1=O |c:6|
30410 CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:15|
30411 CC(C)CCn1n2cc(F)cc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
30412 CC(C)CCn1n2cc(cc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O)C#N |t:15|
30413 CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)N(C)S(C)(=O)=O)c1=O |t:15|
30414 CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)C4CC4)cc3S(=O)(=O)N2)c1=O |t:15|
30415 CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:16|
30416 CN(c1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(CCC(C)(C)C)c1=O)S(C)(=O)=O |c:6|
30417 Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccc(F)cc2)n2cccc12 |t:3|
30418 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O |c:9|
30419 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)c(Cl)c2)c1=O |c:9|
30420 CN(c1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O)S(C)(=O)=O |c:6|
30421 Oc1c(C2=Nc3ccc(cc3S(=O)(=O)N2)C2CCCS2(=O)=O)c(=O)n(Cc2ccc(F)cc2)n2cccc12 |t:3|
30422 COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1 |c:6|
30423 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:17|
30424 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(O)cc3S(=O)(=O)N2)c1=O |t:17|
30425 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(N)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30426 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)C(N)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30427 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)(C)C(N)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30428 CCC(Oc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1)C(N)=O |c:8|
30429 CNC(=O)COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1 |c:10|
30430 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(=O)NO)cc3S(=O)(=O)N2)c1=O |t:17|
30431 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC(=O)N4CCNC4)cc3S(=O)(=O)N2)c1=O |t:17|
30432 CCOC(=O)C(C)Oc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1cccs1 |c:12|
30433 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OC(C)C(O)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30434 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(OCC#N)cc3S(=O)(=O)N2)c1=O |t:17|
30435 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(CCC(N)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30436 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(C=CC(N)=O)cc3S(=O)(=O)N2)c1=O |w:22.22,t:17|
30437 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NC(=O)C4CC4)cc3S(=O)(=O)N2)c1=O |t:17|
30438 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NC(C)=O)cc3S(=O)(=O)N2)c1=O |t:17|
30439 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)N2CCCC2=O)c1=O |t:17|
30440 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)C2CCCC2=O)c1=O |t:17|
30441 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)C2=CCCC2=O)c1=O |t:17,31|
30442 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)-c2cnoc2)c1=O |t:17|
30443 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)C(C)=O)c1=O |t:17|
30444 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)C#N)c1=O |t:17|
30445 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)C(N)=O)c1=O |t:17|
30446 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)-c2c[nH]nn2)c1=O |t:17|
30447 CS(=O)(=O)c1cccc(CC(=O)Nc2cncc(c2)C(=O)c2cn(c3nc(N)ncc23)C23CC(C2)C3)c1
30448 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:17|
30449 Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cn2ccc(n2)C(F)(F)F)c1
30450 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCN2N(Cc2ccc(F)cc2)C1=O |c:9|
30451 CC(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15|
30452 CC(C)(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:16|
30453 CN(c1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCN2N(CCC(C)(C)C)C1=O)S(C)(=O)=O |c:6|
30454 CC(C)(C)CCN1N2CCCC2(C)C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:20|
30455 CC(C)(C)CCN1N2CCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:20|
30456 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCN2N(Cc2ccc(F)cc2)C1=O |c:9|
30458 CCC(C)(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:19|
30459 CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CCCC2)c1=O)-c1cccs1 |c:9|
30460 CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CC2)c1=O)-c1cccs1 |c:9|
30461 CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(Cc2ccccc2)c1=O)-c1cccs1 |c:9|
30462 CC(C)CCn1nc(c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O)-c1ccccc1 |t:11|
30463 Cc1ccc(s1)-c1nn(Cc2ccccc2)c(=O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1O |t:21|
30464 CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(cc3S(=O)(=O)C2)N(C)S(C)(=O)=O)c1=O |t:17|
30465 CN(c1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(Cc2ccccc2)c1=O)-c1ccc(C)s1)S(C)(=O)=O |c:6|
30466 CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:16|
30467 CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:15|
30468 CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(cc3S(=O)(=O)C2)N(C)S(C)(=O)=O)c1=O |t:15|
30469 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2ccccc12 |r,w:14.15|
30470 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C(C)C)N(Cc2ccccc2)C1=O |r,w:14.16|
30471 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2O |r,w:14.15|
30472 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O |r,w:14.15|
30473 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCCC(N)=O |r,w:14.15|
30474 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)C(C)(C)C |r,w:14.15|
30475 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N |r,w:14.15|
30476 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(=O)N1CCOCC1 |r,w:14.15|
30477 CC(C)[C@@H]1N(Cc2ccccc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1 |r,w:14.15|
30478 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C(C)C)N(CCC(C)(C)C)C1=O |r,w:14.16|
30479 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C |r,w:14.16|
30480 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](CC(C)C)N(CCC(C)(C)C)C1=O |r,w:14.16|
30481 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@H](C2CCCCC2)N(CCC(C)(C)C)C1=O |r,w:14.16|
30482 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)c1cccs1 |r,w:14.16|
30483 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2cccc(Cl)c2)C1=O)C(C)(C)C |r,w:14.16|
30484 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C |r,w:14.16|
30485 CCOc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(CCC(C)C)C1=O)C(C)(C)C |r,w:14.16|
30486 CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2ccccc12)C(C)(C)C |r,w:10.9|
30487 CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O |r,w:17.18|
30488 CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC#N |r,w:17.18|
30489 CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1 |r,w:17.18|
30490 CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O |r,w:17.18|
30491 CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C)S(C)(=O)=O |r,w:14.16|
30492 CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2cc(NS(C)(=O)=O)ccc12 |r,w:17.18|
30493 CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCC(N)=O)C(C)(C)C |r,w:10.9|
30494 CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCc1ncon1)C(C)(C)C |r,w:10.9|
30495 CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O)C(C)(C)C |r,w:10.9|
30496 CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CCS(C)(=O)=O)C(C)(C)C |r,w:10.9|
30497 CS(=O)(=O)NCc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O |w:17.37|
30498 CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C2(CC2)C1=O)S(C)(=O)=O |w:14.34|
30499 CC[C@]1(C)N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CN(C)S(C)(=O)=O |r,w:16.17|
30500 CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)N(Cc2ccc(F)c(Cl)c2)C(C)(C)C1=O)S(C)(=O)=O |w:14.33|
30501 CC(C)[C@]1(C)N(CCC(C)(C)C)C(=O)C(C1=O)C1=CS(=O)(=O)c2c1cccc2CN(C)S(C)(=O)=O |r,t:18|
30502 CN(Cc1cccc2C(=CS(=O)(=O)c12)C1C(=O)[C@@H](N(CCC(C)(C)C)C1=O)C(C)(C)C)S(C)(=O)=O |r,c:8|
30503 CC(C)(C)CCN1[C@H](C(=O)C(C1=O)C1=CS(=O)(=O)c2c1cccc2CNS(C)(=O)=O)C(C)(C)C |r,t:14|
30504 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
30505 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
30506 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
30507 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCCCC2N(Cc2ccc(F)cc2)C1=O |c:9|
30508 CC(C)(C)CCN1C2CCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:19|
30509 CC(C)(C)CCN1C2CCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:20|
30510 CC(C)(C)CCN1C2CCCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:21|
30511 CC(C)(C)CCN1C2CCCCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:22|
30512 CN1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:11|
30513 CCN1C2CCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:15|
30514 CC(C)N1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:13|
30515 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(CC2CCC2)C1=O |c:9|
30516 CC(C)CCN1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15|
30517 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(CCC2CC2)C1=O |c:9|
30518 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(C2CCCC2)C1=O |c:9|
30519 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(C2CCCCC2)C1=O |c:9|
30520 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(C1=O)c1ccccc1 |c:9|
30521 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccccc2)C1=O |c:9|
30522 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(Cl)cc2)C1=O |c:9|
30523 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2cccc(F)c2)C1=O |c:9|
30524 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccccn2)C1=O |c:9|
30525 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(F)cn2)C1=O |c:9|
30526 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(CCc2ccccc2)C1=O |c:9|
30527 CN(C)CCN1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15|
30528 CC(C)CCN1C2CCCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:19|
30529 CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCC2N(C2CCCCC2)C1=O |c:9|
30530 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
30531 [H][C@@]12CCC[C@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
30532 Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cn2cc(nn2)C(F)(F)F)c1
30534 [H][C@]12CCCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
30535 [H][C@@]12CCCC[C@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
30536 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CC1CC1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:20|
30537 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:20|
30538 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:21|
30539 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(cc1)C(F)(F)F)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:27|
30540 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1cccc(c1)C(F)(F)F)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:27|
30541 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1cccc(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24|
30542 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
30543 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(F)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
30544 [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(Cl)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25|
30545 COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1ccccc1 |c:6|
30546 Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cc2ccc(cc2)C#N)c1
30547 Nc1ncc2c(cn(c2n1)C12CC(C1)C2)C(=O)c1cncc(NC(=O)Cc2ccc(Cl)cn2)c1
30548 CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cn4ncc(Cl)cc4n3)c2)c2cncnc12
30549 CCOc1ccc(CC(=O)Nc2cncc(c2)C(=O)c2cn(c3nc(N)ncc23)C(C)(C)CO)nc1
30550 CC(O)C(=O)c1ccc(cc1)-c1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30551 CC(CCc1ccc(OC2CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
30552 CCC(CC)COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30553 CCC(c1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1)c1ccccc1
30554 CC(CCc1ccc(OCc2nc(no2)-c2cccc(F)c2)cc1)(C(=O)NO)S(C)(=O)=O
30555 CC(CCc1ccc(Oc2ccccc2F)cc1)(C(=O)NO)S(C)(=O)=O
30556 CC(CCc1ccc(OCCCOCc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
30557 COc1cc(OC)cc(Oc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1
30558 Cc1ncccc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30559 CC(CCc1ccc(OCC2CC2)cc1)(C(=O)NO)S(C)(=O)=O
30560 CC(CCc1ccc(Oc2cccc(F)c2F)cc1)(C(=O)NO)S(C)(=O)=O
30561 CC(CCc1ccc(OCCOc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
30562 CC(CCc1ccc(OCc2ccc(F)cc2C(F)(F)F)cc1)(C(=O)NO)S(C)(=O)=O
30563 CC(CCc1ccc(OCc2cccc(Cl)c2)cc1)(C(=O)NO)S(C)(=O)=O
30564 CC1=C(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)NC(O1)c1ccccc1F |c:1|
30565 CCCCCCOc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30566 CC(CCc1ccc(OCc2nc(no2)-c2cccc(F)c2F)cc1)(C(=O)NO)S(C)(=O)=O
30567 Cc1ccc(C)c(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1
30568 CC(CCc1ccc(OCc2nc(no2)-c2cc(F)cc(F)c2)cc1)(C(=O)NO)S(C)(=O)=O
30569 CC(CCc1ccc(OCc2nc(Cc3cc(F)ccc3F)no2)cc1)(C(=O)NO)S(C)(=O)=O
30570 Cc1cc(C)cc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1
30571 CC(CCc1ccc(OCc2nc(no2)-c2c(F)cccc2F)cc1)(C(=O)NO)S(C)(=O)=O
30572 COc1ccc(F)c(c1)-c1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1
30573 Cc1ccccc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30574 CC(CCc1ccc(OCCC2CCOCC2)cc1)(C(=O)NO)S(C)(=O)=O
30575 Cc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1F
30576 Cc1ccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
30577 CC(CCc1ccc(OCCCOc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
30578 CC(C)Oc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30579 CC(CCc1ccc(OCC2CCC2)cc1)(C(=O)NO)S(C)(=O)=O
30580 CC(C)CCCOc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30581 CC(CCc1ccc(OCc2cccc(F)c2)cc1)(C(=O)NO)S(C)(=O)=O
30582 Cc1ccc(cc1)-c1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1
30583 Cc1ccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cn1
30584 CC(CCc1ccc(OCCc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
30585 CC(C)CCc1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1
30586 CC(CCc1ccc(OCc2nc(no2)C2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O
30587 CC(CCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1)(C(=O)NO)S(C)(=O)=O
30588 CC(CCc1ccc(OCc2cc(ccc2F)C#N)cc1)(C(=O)NO)S(C)(=O)=O
30589 CC(CCc1ccc(OCc2nc3ccccc3s2)cc1)(C(=O)NO)S(C)(=O)=O
30590 CC1=C(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)NC(O1)c1cccc(C)c1 |c:1|
30591 CC(CCc1ccc(OCc2ccc3ccccc3n2)cc1)(C(=O)NO)S(C)(=O)=O
30592 CC(CCc1ccc(OCc2cc(ccc2F)C(F)(F)F)cc1)(C(=O)NO)S(C)(=O)=O
30593 CC(CCc1ccccc1OCCC1CCOCC1)(C(=O)NO)S(C)(=O)=O
30594 CC(Oc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1)c1ccccc1
30595 Cc1ccc(Cc2noc(COc3ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc3)n2)cc1
30596 CC(CCc1ccc(OCc2cc(F)ccc2C#N)cc1)(C(=O)NO)S(C)(=O)=O
30597 CC(CCc1ccc(OCc2ccccc2C#N)cc1)(C(=O)NO)S(C)(=O)=O
30598 Cc1ccc(OCc2noc(COc3ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc3)n2)cc1
30599 Cc1cccnc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30600 CC(CCc1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1)(C(=O)NO)S(C)(=O)=O
30601 Cc1cccc(Cc2noc(COc3ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc3)n2)c1
30602 Cc1nncn1-c1ccc(OCCOc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
30603 Cc1ccc(F)c(c1)-c1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1
30604 CC(C)CCOc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30605 CC(CCc1ccc(OCc2c(F)cc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
30606 CC(CCc1ccc(OCc2ccc(F)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
30607 CCCCCc1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1
30608 CC(CCc1ccc(OCc2cccc3cccnc23)cc1)(C(=O)NO)S(C)(=O)=O
30610 CC(CCc1ccc(OCc2nc(no2)-c2cccc(Cl)c2)cc1)(C(=O)NO)S(C)(=O)=O
30611 CC(C)c1ccc(cc1)-c1noc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)n1
30612 CC(CCc1ccc(OCc2nc(no2)C2CCC2)cc1)(C(=O)NO)S(C)(=O)=O
30613 CC(CCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)(C(=O)NO)S(C)(=O)=O
30614 Cc1oc(nc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1)-c1cccc(F)c1
30615 CC(CCc1ccc(OCc2cccnc2)cc1)(C(=O)NO)S(C)(=O)=O
30616 CC(CCc1ccc(OCc2ccccc2-n2cccn2)cc1)(C(=O)NO)S(C)(=O)=O
30617 CC(CCc1ccc(OCc2nc(no2)-c2cccnc2)cc1)(C(=O)NO)S(C)(=O)=O
30618 CCc1ccccc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
30619 CC(CCc1ccc(OCc2ccc(Cl)cc2F)cc1)(C(=O)NO)S(C)(=O)=O
30620 CC(CCc1ccc(OCc2nc(no2)-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
30621 CC(CCc1ccc(OCc2ccc(cc2)S(C)(=O)=O)cc1)(C(=O)NO)S(C)(=O)=O
30622 Cc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1
30623 CC(CCc1ccc(OCCc2ccncc2)cc1)(C(=O)NO)S(C)(=O)=O
30624 CC(CCc1ccc(OCCC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O
30625 CC(CCc1ccc(OCCCC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O
30626 CC(CCc1ccc(OCCC2CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
30627 CC(CCc1ccc(OCCCC2CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
30628 CCCC(C)(O)C1CCC(CC1)N1C(c2ccc(Cl)cc2)c2cc(OC(C)C)c(OC)cc2CC1=O |(12,-8.47,;10.67,-7.7,;10.67,-6.16,;9.34,-5.39,;8.57,-6.72,;10.11,-4.06,;8,-4.62,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;6.67,-5.39,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;2.67,-9.24,;1.33,-6.93,;1.33,-5.39,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-2.67,-4.62,;-1.33,-5.39,;-4,-5.39,;-1.33,-.77,;-2.67,,;-4,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,)|
30629 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c12)C(=O)NCCO
30630 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3(CC#N)CC3)c2c1C
30631 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC(F)(F)F)c2c1C
30632 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(N)=O
30633 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12)C(=O)NCCO
30634 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c2c1C
30635 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(=O)NCCO
30636 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c12)C(N)=O
30637 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCC3CC3(F)F)c2c1C
30638 COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
30639 COCC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
30641 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
30642 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
30643 Fc1ccc(F)c(c1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
30644 CCc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
30645 CC(CF)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
30646 Fc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
30647 CCS(=O)(=O)Nc1ccc(cc1)-c1nc2cccnc2s1
30648 O=S(=O)(Nc1ccc(cc1)-c1nc2cccnc2s1)c1cccs1
30649 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c12)C(=O)NCCO
30650 Cc1c(sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c12)C(N)=O
30651 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(CO)CO)c2c1C
30652 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(N)=O
30653 Cc1ccc(Cn2c(SCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
30654 COc1cccc(c1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
30655 COc1nc(OC)nc(n1)N1CCC(CC1)C(=O)Nc1cccc2CCCCc12
30656 COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)cc1
30657 CN(C)CCNC(=O)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
30658 CCOC(=O)Cc1c(C)c2ccc(cc2oc1=O)N(CC)CC
30659 NC(Cc1ccc2nonc2c1)C(O)=O
30660 COc1ccc(C(=O)N2CCCC(C2)c2nc(no2)-c2ccc(OC)c(OC)c2)c(OC)c1
30661 CC(C)n1c2nc3ccccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
30662 CC(CN1CCCCC1)OC(=O)c1cc2ccccc2o1
30663 CC1CCN(CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
30664 COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
30665 CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1
30666 Cc1ccc(cc1)C(=O)N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1
30667 COc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1
30668 Cc1cccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)c1C
30669 CCOc1ccccc1C1C(=CN(C)C=C1C(=O)OC)C(=O)OC |c:11,15|
30670 O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
30671 CCNc1nc2n(C)c(=O)n(Cc3ccccc3)c(=O)c2n1Cc1ccccc1
30672 Cc1ncc(CO)c2COC(C)(C)Oc12
30673 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O
30674 COc1ccc(cc1)-c1cc(nc(n1)-n1nc(C)cc1C)C(F)F
30675 Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
30676 Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccco1)Cc1cccnc1)c1nnnn1C1CCCC1
30677 Cc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccccc1
30678 COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(=O)NCC1CCCO1
30679 COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CC=C)c1=N
30680 CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1)c1ccc(F)cc1
30681 Fc1ccccc1C(OC(=O)c1ccco1)C(=O)NC1CCCC1
30682 Cc1ccccc1Cn1ccc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)-c2ccco2)n1
30683 Fc1ccc(cc1)N(CC(=O)NC1CCCC1)C(=O)CSc1nnc(COc2ccccc2)o1
30684 COc1ccc(cc1)C1CC(n2nc(cc2N1)C(=O)NCCN1CCOCC1)C(F)(F)F
30685 C(c1ccccc1)n1nnc2c(Nc3ccc4OCOc4c3)nc(nc12)C1CC1
30686 Clc1ccc2c(c1)nc[nH]c2=O
30687 COc1ccc(OC)c(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1
30688 CCOC(=O)C1CCCN(CC(=O)NC2CC2)C1
30689 Fc1ccc(cc1)C(=O)CCCN1Cc2ccccc2C1
30690 Cc1ccc(cc1)S(=O)(=O)N1CCCSCC1
30691 CC1CCN(CC1)C(=O)CSc1nc2cccnc2n1C
30692 Nc1nonc1C(N=O)N1CCCC1
30693 C(NC1CCCCCCC1)c1ccco1
30694 CC(OC(=O)Cn1cnc2sc(C)c(C)c2c1=O)C(=O)NC(C)(C)C
30695 Cn1ncc(N)c1C(=O)Nc1cccc(c1)C(F)(F)F
30696 C(c1ccccc1)n1nnc2c(ncnc12)N1CCc2ccccc2C1
30697 CC(C)C(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1cccs1
30698 COc1ccc(Nc2oc3cc(=O)ccc3cc2C(=O)NCC2CCCO2)c(OC)c1
30699 Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(C)c1
30700 CC1Oc2ccccc2N(CC(=O)N2CCCc3ccccc23)C1=O
30701 CNCCc1c[nH]c2ccccc12
30702 [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
30703 Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C |t:10|
30704 CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
30705 Nc1nc2ccc(OC(F)(F)F)cc2s1
30706 CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(c56)[C@@]4([H])C3)(O[C@@]21O)C(C)C
30707 COc1ccc2[nH]cc(CCN(C)C)c2c1
30708 CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
30709 [H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
30710 NC(=O)c1cc2ccc(=O)cc2oc1Nc1ccccc1
30711 Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1
30712 Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
30713 CC(=C)c1nc(N)nc(N)n1
30714 CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccccc1 |c:6|
30715 CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccc(C)cc1 |c:6|
30716 COC(=O)c1ccc(o1)-c1sc2nc(N3CCOCC3)c3CCCCc3c2c1N
30717 OC(COc1ccccc1)Cn1c2ccccc2n(Cc2ccccc2)c1=N
30718 CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
30719 CCCCCCC1=Cc2c\c(=C3\NN\C(O3)=C3\C=CC=CC3=O)c(=O)oc2=CC1=O |c:18,20,29,t:6|
30720 CN(C)\C=C1\C(Cc2nc(ccc2C1=O)N(C)C)c1ccccc1
30721 Clc1ccc2nc(nc(-c3ccccc3)c2c1)N1CCNCC1
30722 CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
30723 Cn1c(Cl)nc2n(C)c(=O)n(Cc3cccc(Br)c3)c(=O)c12
30724 CCCCCCc1cc2cc(C(=O)NC)c(N)oc2cc1=O
30725 COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
30726 COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc23)cc(OC)c1
30727 CCCCc1ccc2[nH]cc(CCN)c2c1
30728 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ncnc2CCCc12 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
30729 Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1CCc1ccccc1
30730 Cn1c2nc(Oc3ccc4OCOc4c3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O
30731 Cc1[nH]c2ccccc2c1C(O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F
30732 CC1(C)Cc2c(CO1)c(nc(NCCc1ccccc1)c2C#N)-c1ccco1
30733 OC(CN1CCN(CC1)c1cccc(c1)C(F)(F)F)c1c[nH]c2ccccc12
30734 CN1CCN(CC1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
30735 Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CC=C
30736 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1cccc(Br)c1
30737 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1ccc(Cl)cc1
30738 CC1(C)Cc2c(CO1)c(nc(NCc1ccco1)c2C#N)-c1ccco1
30739 N=C1C(C#N)C(C#N)(C#N)C(N1c1ccccc1)c1ccco1
30740 COc1ccc(cc1)N1CCN(CC(O)c2c[nH]c3ccc(OC)cc23)CC1C
30741 Cc1cc(co1)-c1cc(nc(N)c1C#N)-c1ccc(Cl)cc1
30742 CC1(C)Cc2c(CO1)c(nc1snc(N)c21)N1CCOCC1
30743 CCCCOc1ccc(cc1OC)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(=O)OCC |t:21|
30744 O=S(CCc1ccncc1)Cc1ccccc1
30745 CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12
30746 COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(n2)-n2[nH]c(=O)c(C)c2C)cc1
30747 Cc1cc(C)n(Cc2ccc(o2)C(=O)NCCC2=CCCCC2)n1 |t:18|
30748 CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
30749 Cc1nc2ccc(Br)cc2c(O)c1CN1CCCCC1
30750 COCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 |t:13|
30751 C1CN(CCO1)c1cc(ncn1)-n1cccn1
30752 CCCCCCNC(=O)c1c(N)n(N=Cc2ccco2)c2nc3ccccc3nc12 |w:13.12|
30753 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(CC1)c1ccccn1
30754 COCCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12 |w:12.11|
30755 Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CC1CCCO1
30756 CN(C)CCCN1C(C(C(=O)c2ccc3OCCOc3c2)C(=O)C1=O)c1ccccn1
30758 CC(=O)NCCN=Cc1sc2ccccc2c1O |w:6.5|
30759 CCN(CC)CCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(OCC=C)c1
30760 CCCNC(=O)c1c(N)n(-c2cc(OC)cc(OC)c2)c2nc3ccccc3nc12
30761 Cc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
30762 CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
30763 CC(C)CCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
30764 CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
30765 CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
30766 CCCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
30767 COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2OCOc2c1
30768 COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
30769 CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
30770 CCCNc1oc(nc1C#N)-c1cccc2ccccc12
30771 Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1CCCN1CCOCC1
30772 COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCCc2ccccc12
30773 CCC(C)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O
30774 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
30775 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1
30776 CC(C)n1c2cc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccco1
30777 CCN1CCN(CC1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1
30778 CC(C)OCCCNC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12
30779 Brc1ccc(cc1)C(=O)CN1CCN(Cc2ccccc2)CC1
30780 CSCC[C@H](NC(=O)Nc1ccc(C)cc1C)C(O)=O
30781 Cc1cc(C)n(n1)-c1nc(NCCO)c2c3CCCCc3sc2n1
30782 CCCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc12
30783 Cc1ccc2nc3n(-c4nccs4)c(=O)c(cc3c(=O)n2c1)C#N
30784 Cc1cc(no1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
30785 CCCn1nc(NS(=O)(=O)c2ccccc2)c2cc3ccccc3nc12
30786 Clc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
30787 O=C(N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O)c1cccs1
30788 COCCOC(=O)C1C(c2ccc(F)cc2)n2nc(C)nc2N=C1C |c:24|
30789 O=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C#N
30790 Cc1cc(no1)-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O
30791 CCCNC(=O)Nc1cc(C)on1
30792 CSc1ncccc1C(=O)OCc1ccccc1F
30793 COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
30794 Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
30795 COc1ccc(OC)c(c1)C(=O)CN1C(=O)NC(C)(C1=O)c1ccccc1
30796 CCOC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:12|
30797 CN(C1CCCCC1)c1cc(=O)n2ccccc2n1
30798 COCCN1C(=O)C(CC(=O)Nc2ccc(cc2)C(C)=O)SC1=Nc1ccccc1 |w:23.25|
30799 CSc1ncccc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1
30800 CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
30801 COC(=O)c1cc(c(C)o1)-c1c(C)oc2cc(O)ccc2c1=O |(3.08,-1.73,;4.61,-1.89,;5.52,-.64,;4.89,.76,;7.05,-.8,;8.08,.34,;9.49,-.29,;9.32,-1.82,;10.47,-2.85,;7.82,-2.14,;10.82,.48,;10.82,2.02,;9.49,2.79,;12.15,2.79,;13.49,2.02,;14.86,2.85,;16.26,2.06,;17.59,2.83,;16.26,.45,;14.86,-.34,;13.49,.48,;12.15,-.29,;12.15,-1.83,)|
30802 CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
30803 CN(C)c1ccc(C=Nn2ncc3ccccc23)cc1 |w:8.8|
30804 CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1OCC
30805 O=C(Cc1cccs1)Nc1nc2ccccc2s1
30806 COC(=O)c1cc(CC(=O)c2ccc(O)cc2O)c(C)o1
30807 OC(COc1ccc2oc3ccccc3c2c1)CN1CCN(CC1)C(=O)c1ccco1
30808 Fc1ccccc1N(CCC#N)C(=O)CN1C(=O)NC2(CCCC2)C1=O
30809 CCOC(=O)c1sc2N=C3CCCC(=O)C3C(c3cccs3)c2c1C |t:8|
30810 CCCCn1c2nc(-c3ccncc3)n(CCOC)c2c(=O)[nH]c1=O
30811 CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12|
30812 COc1cccc(c1)C(=O)Nc1ccc(C)cc1
30813 Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C |(1.29,6.71,;2.76,6.24,;4,7.14,;4,8.68,;5.33,9.45,;5.33,10.99,;4,11.76,;2.67,10.99,;1.33,11.76,;,12.53,;2.67,9.45,;1.33,8.68,;6.67,11.76,;8,10.99,;6.67,13.3,;5.33,14.07,;5.33,15.61,;6.67,16.38,;8,15.61,;8,14.07,;9.34,13.3,;5.25,6.24,;6.71,6.71,;4.77,4.77,;5.68,3.53,;5.05,2.12,;5.96,.87,;7.49,1.03,;8.11,2.44,;7.21,3.69,;3.23,4.77,;2.33,3.53,)|
30814 O=C(Cc1c[nH]c2ccccc12)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
30815 Cc1ccc(Oc2ccc(N)cc2)cc1
30816 Fc1ccccc1N1CCN(CC1)c1ncnc2n[nH]cc12
30817 CCn1c(C)nc2cc(ccc12)C(=O)OCCC(F)(F)F
30818 Cc1cc(C(=O)CSc2nnc(o2)-c2ccco2)c(C)n1CC1COc2ccccc2O1
30819 Cc1cc(C(=O)COc2ncnc3sccc23)c(C)n1C1CC1
30820 Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
30821 Cc1nnc(NCc2ccncc2)c2ccccc12
30822 CC1(C)Cc2cccc(OCC(O)CN3CCN(CC3)c3ccccn3)c2O1
30823 COc1cc(OC)nc(NC(=O)COC(=O)C2CCCCC2)n1
30824 Clc1cc(c(Cl)s1)-c1csc(NC(=O)c2cccs2)n1
30825 Cc1ccc(cc1)C(=O)OCc1cn2ccccc2n1
30826 Oc1ccccc1C(=O)c1cnn(c1)-c1nc2ccccc2s1
30827 Cc1sc2ncnc(Oc3ccc(cc3)-n3ccnc3)c2c1C
30828 CCOC(=O)c1cc2cc(ccc2o1)-c1c(oc2cc(O)cc(O)c2c1=O)C(=O)OCC
30829 O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1
30830 Cc1noc(NS(=O)(=O)c2ccc(cc2)-n2cc(O)c(c2N)-c2ccccc2)c1C
30831 CCCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc12
30832 Brc1ccccc1-c1nnc(CSc2nncn2-c2ccccc2)o1
30833 CCCCC(CC)Cn1c(N)c(C#N)c2nc3ccccc3nc12
30834 Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1
30835 COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nc(CC(C)=O)ns1)-c1ccccc1
30836 OC(=O)CCCNS(=O)(=O)c1cccs1
30837 Cc1nn(Cc2ccccc2)c2sc(cc12)C(=O)NCc1cccnc1
30838 Clc1ccccc1C(=NS(=O)(=O)c1cccs1)N1CCN(CC1)C(=O)c1ccco1 |w:8.9|
30839 Clc1cccc(CN2CCNC2=O)c1
30840 COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
30841 CCOC(=O)CNC(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCC(C)CC1
30842 Cc1ccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)cc1
30843 CCc1ccc(cc1)-c1nc(CN2CCCC(C2)C(=O)NCCc2ccc(OC)c(OC)c2)c(C)o1
30844 CCC1CCCCN1C(=O)CSc1nnc(o1)-c1cccs1
30845 OC(=O)Cn1c(SC2CCCCC2)nc2ccccc12
30846 COc1ccc(NC(=O)Cn2cccc2)cc1Cl
30847 CC1CCCC(NC(=O)c2ccc3c(c2)[nH]c(=O)n(CC2CCCO2)c3=O)C1C
30848 Cc1nc2ccccc2c2oc(cc12)C(=O)NCc1ccccn1
30849 COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(N)=O
30850 Clc1cccc(c1)N1CCN(CCCNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)CC1
30851 CC(=O)c1cccc(NC(=O)c2nccnc2C(O)=O)c1
30852 COc1cc(ccc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccc1F
30853 NCCc1c[nH]c2ccc(F)cc12
30854 C=CCSC(=Nn1cnc2ccccc2c1=O)N1CCCCC1 |w:5.5|
30855 CN(C)c1ccc(cc1)C1CC(=Nc2ncnn12)c1ccc(Cl)cc1OC(F)F |c:12|
30856 Cc1ccc(cc1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
30857 CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
30858 Cc1cccc(N2CCN(CCNC(=O)c3cc4CS(=O)(=O)Cc4s3)CC2)c1C
30859 Fc1ccc(NC(=O)CCN2CCN(CC2)c2ccccn2)cc1
30860 Clc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1
30861 COC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCC1)n(Cc1ccc3OCOc3c1)c2=O
30862 C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
30863 CC(C)N1CCC(=CC1)c1c[nH]c2ccccc12 |c:6|
30864 COc1ccc2[nH]c3CCN(C)Cc3c2c1
30865 COc1ccc(cc1)N1C(C(CCC1=O)C(=O)Nc1cccc(C)n1)c1ccc(OC)c(OC)c1
30866 CSc1ccc2nnc(-c3cccc(F)c3)n2n1
30867 COc1ccc(CCNC(=O)C2CCCN(Cc3nc(oc3C)-c3ccccc3C)C2)cc1OC
30868 COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccccc1
30869 Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N
30870 COc1cccc(c1)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
30871 Cc1nc2cc(ccc2n1-c1cccc(C)c1)C(=O)N1CCC2(CC1)OCCO2
30872 COCCN1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
30873 O=S(=O)(c1ccc2oc(nc2c1)-c1ccncc1)c1ccc2oc(nc2c1)-c1ccncc1
30874 CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3C)C2=O)cc1OCC
30875 CC(=O)Nc1ccc(cc1)S(=O)(=O)N=C1SCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 |w:13.13|
30876 CCOC(=O)N1CCC(CC1)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
30877 Cc1oc(nc1CN1CCCC(C1)C(=O)NCCCN1CCOCC1)-c1cccc(Cl)c1
30878 NC(=O)c1cc2ccc(=O)cc2oc1NCc1ccccc1
30879 Brc1ccc(s1)S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCCC1
30880 Cc1nn(c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1)-c1ccccc1
30881 Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
30882 CC(C)COC(=O)NCCCOC(=O)Nc1ccccc1
30883 Cc1ccc(cc1)-n1c(n[nH]c1=S)-c1cccnc1
30884 Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
30885 CCOC(=O)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1
30886 O=C(CCn1c2ccccc2sc1=O)NCc1cccs1
30887 COC(=O)C(C)Sc1nc2CCSc2c(=O)n1-c1ccccc1
30888 CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
30889 Cc1cccc(Nc2oc3cc(=O)ccc3cc2C(N)=O)c1
30890 CN(C)Cc1cc(cc(CN(C)C)c1O)C(C)(C)c1cc(CN(C)C)c(O)c(CN(C)C)c1
30891 Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
30892 CCOCC(=O)N1CCc2ccccc12
30893 CCOC(=O)C1CCN(CC1)C(=O)COc1ccc(cc1Cl)S(=O)(=O)NC(C)C
30894 CC(=O)N1CCN(CC1)c1ccc(NCc2ccc3OCOc3c2)cc1
30895 Cc1ccc(o1)-c1cc(c(C#N)c(SCCC#N)n1)C(F)(F)F
30896 CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
30897 CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
30898 C(N1CCN(CC1)c1ncnc2c3ccccc3oc12)c1ccc2OCOc2c1
30899 CCOc1cc(c(C)cc1C)S(=O)(=O)NCc1ccccn1
30900 CCOC(=O)C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
30901 [H]C12OC3(C=C1)C1C4CCOC4c4cc(C)ccc4N1C(=O)C3C2C(O)=O |c:4|
30902 Cc1ccc(C)c(OCCCC(=O)Nc2ccc(cc2)N2CCOCC2)c1
30903 CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)C#N
30904 Cc1cc(cs1)C(=O)NCc1cccnc1
30905 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1
30906 COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
30907 Cn1cccc1C(=O)NS(=O)(=O)c1ccccc1Cl
30908 CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1cccs1
30909 CN(C)Cc1c(O)c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc12
30910 CCOc1ccc(cc1)N(CC(O)=O)S(=O)(=O)c1ccc(F)cc1
30911 CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
30912 Cc1noc(C)c1CSc1nc2ccccc2[nH]1
30913 CN(C)c1nc(OCCNC(C)=O)nc(n1)N1CCOCC1
30914 O=C(Nc1ccccc1N1CCN(CC1)C(=O)c1ccccc1)c1ccc2OCOc2c1
30915 Cc1[n+]([O-])c2ccccc2n(OCc2ccccc2F)c1=O
30916 C=CCn1c(SCC(=O)N2CCOCC2)nc2scc(-c3ccco3)c2c1=O
30917 Clc1ccc(NC(=O)c2cnn3cccnc23)nc1
30918 COc1ccccc1C(=O)Nc1ccc(cc1)C(O)=O
30919 O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(C1)c1ccccc1
30920 COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC1CCCO1)c2=O
30921 CC(C)Cc1nnc(NC(=O)CSc2nnc[nH]2)s1
30922 CC1Cc2cc(ccc2N1S(=O)(=O)c1ccc(C)cc1)S(N)(=O)=O
30923 COc1cc(OC)c(OC)cc1CNC1CCCCCC1
30924 CCCCC12CNCC(C)(CNC1)C2=O
30925 OC(=O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12
30926 CN(C)c1ccnc(NCc2ccccc2)c1C#N
30927 O=C(Nc1cccc2cccnc12)c1cccnc1
30928 CCC(=O)c1ccc(OCC(O)CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
30929 COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1
30930 COC(=O)c1sccc1NC(=O)c1cc2CCCCc2s1
30931 COc1ccccc1N1CCN(CCNC(=O)Nc2cccc(C)c2C)CC1
30932 COC(=O)C1CCN(CC1)C(=O)C(C)Oc1ccc(Cl)cc1Cl
30933 COc1ccc(cc1S(=O)(=O)N1CCC(C)CC1)C(=O)N1CCOCC1
30934 CCOC(=O)N1CCC(CC1)Nc1c(N2CCN(CC2)c2cc(Cl)ccc2C)c(=O)c1=O
30935 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(o1)C1COc2ccccc2O1
30936 COc1c(C)cc(Br)cc1C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
30937 CC1CCc2nn(CC(=O)NC3CCCC3)cc2C1
30938 Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1
30939 CCOC(=O)C1CCCN(C1)C(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
30940 Cc1oc(nc1CN1CCC(CC1)C(=O)N1CCc2ccccc2C1)-c1ccc(Cl)cc1
30941 CCC(=O)c1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
30942 CCOCCCNC(=O)Cn1cc2CCCCc2n1
30943 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
30944 Cc1ccc(C)c(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)CS3=O)c1
30945 Fc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccccc2)nc2ccccc2c1=O
30946 O=C(CC1Oc2ccccc2NC1=O)NCCc1ccccc1
30947 Cc1oc(nc1CS(=O)CC(=O)NC1CCCC1)-c1cccc(C)c1
30948 COc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(OC)c1OC
30949 Cc1cc(C(=O)NCCN2CCN(CC2)c2cccc(Cl)c2)n(n1)-c1ccccc1
30950 Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
30951 Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccc(F)cc1
30952 CCn1c(cc2sccc12)C(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
30953 O=C(Cn1cc2CCCCCc2n1)NC1CCN(Cc2ccccc2)CC1
30954 CC(=O)c1cc2OCOc2cc1NC(=O)c1cc(C)nn1-c1ccccc1
30955 CCOC(=O)N1CCC(CC1)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
30956 COc1ccc(cc1)-c1nc(CS(=O)CC(=O)N2CCCC2)c(C)o1
30957 Cc1nc2ccccc2n1CC(O)Cn1c2c(CCCC2=O)c2cc(C)ccc12
30958 COc1ccccc1CNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
30959 O=C(Nc1ccc2OCCOc2c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
30960 COC(=O)c1ccccc1NC1N(C(=O)c2ccccc12)c1cccnc1
30961 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCN(CC1)c1ccccn1
30962 Clc1cccc(OCc2nc(C#N)c(o2)N2CCCC2)c1
30963 CCOC(=O)N1CCC(CC1)N1Cc2cccc(C(O)=O)c2C1=O
30964 O=C1N(Cc2ccco2)C(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2ccccc12
30965 Clc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12
30966 CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl
30967 CCC(CC)C(=O)Nc1cc(=O)n(C)c(=O)n1C
30968 Clc1ccccc1CNc1ncnc2nc[nH]c12
30969 O=C(N(Cc1ccccc1)c1ccccn1)c1cnc2sccn2c1=O
30970 CCSCCOC(=O)C1C(NC(=O)N=C1C)c1ccc2OCOc2c1 |c:13|
30971 CCn1c(SCC(=O)NCC2CCCO2)nc2CC(C)Sc2c1=O
30972 CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
30973 CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2CC(C)Sc2c1=O
30974 COc1ccc(CN2CCN(CC2)c2cccc(C)c2C)cc1OC
30975 CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N(C)C)ccc1c23
30976 Cc1sc2nc(SCC=C)nc(N)c2c1C
30977 COc1nc(NCCC2=CCCCC2)nc(OC)n1 |t:8|
30978 COC(=O)C1=CN(C=C(C1c1cccc(OC)c1)C(=O)OC)C(C)C |c:7,t:4|
30979 COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC |c:17,t:4|
30980 Clc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
30981 COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(=O)N1CCCCC1
30982 CN(C(C)=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
30983 COc1ccccc1N1CCN(Cc2ccsc2)CC1
30984 Cc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)C2CCc3ccccc3C2)c1O
30985 CC(=O)Oc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
30986 CCCCOc1ccccc1C1C(=CN(CC)C=C1C(=O)OC)C(=O)OC |c:13,18|
30987 Cc1ccc(o1)C1CC(=O)NC(SCc2ccccc2)=C1C#N |c:21|
30988 OCCCc1nnc(SCc2cccc(c2)C#N)n1-c1ccccc1
30989 CCCCP(=O)(CCCC)c1ccccc1C(O)=O
30990 CCCC(N1CCCC1)=C1C(=O)CC(CC(C)SCC)CC1=O |(3.08,7.18,;4.41,6.41,;4.41,4.87,;5.75,4.1,;7.08,4.87,;7.24,6.41,;8.75,6.73,;9.52,5.39,;8.49,4.25,;5.75,2.56,;7.08,1.79,;8.41,2.56,;7.08,.25,;5.75,-.52,;4.98,-1.85,;5.75,-3.18,;7.29,-3.18,;4.98,-4.52,;5.75,-5.85,;4.98,-7.18,;4.41,.25,;4.41,1.79,;3.08,2.56,)|
30991 CC1(C)C(=NC(c2cccnc2)=[N+]1[O-])c1ccccc1 |c:3,12|
30992 Cc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1Cl
30993 COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12 |t:4|
30994 CCC(=O)Oc1ccc2c(C)cc(=O)oc2c1C
30995 COc1cccc(OCCOCCNCCO)c1
30996 CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc12 |t:1|
30997 Cc1cc(=O)oc2cc3NCCOc3cc12
30998 CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
30999 CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
31000 O=C(NCc1ccccc1)NC1(CCCCC1)C(=O)N1CCCC1
31001 CN1CCN(CC1)C(N=O)c1nonc1N
31002 Cn1c(SCc2nc3ccccc3c(=O)[nH]2)ncc1-c1ccccc1
31003 Cc1cccc(NC(=O)C2CCCN(C2)C(=O)Nc2ccccc2)c1C
31004 COc1ccc(cc1OC)N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
31005 Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
31006 CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
31007 CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
31008 CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
31009 NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
31010 COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
31011 Clc1ccc(NC(=O)COC(=O)CCC2CCCC2)nc1
31012 O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1ccccc1
31013 CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
31014 CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
31015 Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
31016 C1CNCC(C1)c1nc2ccccc2s1
31017 CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
31018 CC(CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1
31019 CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
31020 Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
31021 CCN1CCC(=CC1)c1c[nH]c2ccccc12 |c:5|
31022 CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1
31023 C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
31024 Cc1[nH]c2c(cccc2c1CCN)C(F)(F)F
31025 CCCCN(C)CCCNC(=O)Cn1c2ccccc2sc1=O
31026 Cc1[nH]c2c(Cl)cccc2c1CCN
31027 CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
31028 CCOC(=O)C1CCN(CC1)C(=O)Cc1c(C(O)=O)n(C)c2ccccc12
31029 CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
31030 Cc1[nH]c2ccccc2c1C1=CCNCC1 |t:12|
31031 CCOC(=O)C1CCN(CC1)C(c1c(C)c(C)sc1NC(=O)c1ccco1)c1cccnc1
31032 Cn1cc(C(Cc2ccccc2)N=O)c2ccccc12
31033 Clc1cccc(c1)S(=O)(=O)N1CCCC1
31034 CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
31035 CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 |c:10|
31036 C(N1CCN(CC1)c1ccccc1)c1cn2cccnc2n1
31037 COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1
31038 COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
31039 CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
31040 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
31041 CCN(CC)c1ccc2c(Cl)c(Br)c(=O)oc2c1
31042 CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
31043 Cc1ccc(cc1)-n1nc2-c3n[o+]n([O-])c3CCc2[n+]1[O-]
31044 CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
31045 CCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O
31046 Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
31047 COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
31048 CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
31050 CCCc1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 |c:9|
31051 COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
31052 CCC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
31053 COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12
31054 COC(=O)C(=C1\Oc2cc(C)oc(=O)c2S1)\C(F)(F)F
31055 [#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
31056 CCOc1cccc(c1)-c1nnc2SCC(=Nn12)c1cc(OC)ccc1OC |c:16|
31057 COc1ccccc1-c1nnc2SCC(=Nn12)c1ccc(O)c(O)c1 |c:15|
31058 CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:10|
31059 COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
31060 Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 |(8.02,2.68,;9.56,2.68,;10.45,1.44,;11.91,1.91,;11.92,3.44,;13.06,4.47,;12.75,5.98,;11.28,6.46,;10.14,5.43,;10.45,3.92,;9.98,-.02,;10.88,-1.26,;12.42,-1.26,;9.98,-2.5,;10.45,-3.96,;9.55,-5.21,;10.46,-6.46,;11.92,-5.98,;11.92,-4.44,;8.52,-2.03,;7.19,-2.8,;5.85,-2.03,;4.48,-2.85,;3.08,-2.06,;3.08,-.46,;4.48,.33,;5.85,-.49,;7.19,.28,;8.52,-.49,)|
31061 Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
31062 Cc1ccc(s1)S(=O)(=O)Nc1cccc2ncccc12
31063 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
31064 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
31065 COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccccc1
31066 O=S(=O)(CCC#N)c1nnnn1-c1ccccc1
31067 COc1ccc(cc1OC)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
31068 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1
31069 Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
31070 COc1ccc(cc1)-n1c(O)cc(NCc2ccncc2)c1O
31071 Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
31072 O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
31073 CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N1CCCCC1
31074 COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
31075 O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
31076 COc1ccc(cc1)-n1nnnc1S(=O)(=O)CC(=O)N1CCCCC1
31077 COc1cc2CCN3C(NS(=O)(=O)c4ccccc4)=CCC(C#N)=C3c2cc1OC |c:19,24|
31078 COc1ccc(cc1)C1N2CCCC2C(=O)N1c1ccc(F)cc1
31079 CCCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
31080 COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
31081 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
31082 [#6]-[#16]-c1ccccc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O
31083 CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
31092 Cc1c(sc2ncnc(Nc3ccc(F)cc3OCCO)c12)C(=O)NCCO
31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
31094 [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
31096 CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
31099 CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
31103 COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12
31104 COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccccc12
31105 COC(=O)c1c(Nc2ccccc2Cl)[nH]c2ccccc12
31106 COC(=O)c1c(Nc2ccc(Cl)cc2)[nH]c2ccccc12
31107 COC(=O)c1c(Nc2cccc(F)c2)[nH]c2ccccc12
31108 COC(=O)c1c(Nc2cccc(Br)c2)[nH]c2ccccc12
31109 COC(=O)c1c(NCc2ccccc2)[nH]c2ccccc12
31110 COC(=O)c1c(NCC=C)[nH]c2ccccc12
31111 COC(=O)c1c([nH]c2ccccc12)N(CC=C)CC=C
31112 COC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(Cl)cc12
31113 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(O)cc12
31114 CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2ccc(O)cc12
31115 CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2ccc(O)cc12
31116 CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1cccc(Cl)c1
31117 CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccc(Cl)cc1
31118 CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2ccc(O)cc12
31119 CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12
31120 CCOC(=O)c1c(CCc2ccccc2)[nH]c2ccc(O)cc12
31121 CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
31122 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
31123 CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c1cc(O)c1ccccc21
31124 CCOC(=O)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
31125 CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc21
31126 CCOC(=O)c1c(Cc2ccc(F)cc2)[nH]c2c1cc(O)c1ccccc21
31127 CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21
31128 CCOC(=O)c1c(Cc2ccc(Br)cc2)[nH]c2c1cc(O)c1ccccc21
31129 CCOC(=O)c1c(Cc2cccc(OC)c2)[nH]c2c1cc(O)c1ccccc21
31130 CCOC(=O)c1c(Cc2ccc(OC)cc2)[nH]c2c1cc(O)c1ccccc21
31131 CCOC(=O)c1c(Cc2ccc(cc2)C(F)(F)F)[nH]c2c1cc(O)c1ccccc21
31132 CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1cccc(Cl)c1
31133 CCOC(=O)c1c([nH]c2c1cc(O)c1ccccc21)-c1ccc(Cl)cc1
31134 CCOC(=O)c1c(CCc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc21
31135 CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc21
31136 CCOC(=O)c1c(CCCc2ccccc2)[nH]c2c1cc(O)c1ccccc21
31137 CCOC(=O)c1c(Cc2ccc(Cl)cc2)n(Cc2ccccc2)c2c1cc(O)c1ccccc21
31138 Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3cccc(Cl)c3)[nH]c2c2ccccc12
31139 Oc1cc2c(C(=O)OCc3ccccc3)c(Cc3ccc(Cl)cc3)[nH]c2c2ccccc12
31140 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1cc(OC)c(OC)cc21
31141 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ncccc21
31142 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccccc1
31143 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2cc(c(O)cc12)-c1ccc(cc1)-c1ccccc1
31144 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(OC(=O)c1ccccc1)c1ccccc21
31145 CCOC(=O)c1c(Cc2cccc(Cl)c2)n(C)c2c1cc(OC)c1ccccc21
31146 CCOC(=O)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(-c1ccccc1)c1ccccc21
31147 OC(=O)c1cc2occc2[nH]1
31148 Oc1cc2ccccc2[nH]c1=O
31149 Oc1cc2cccc(F)c2[nH]c1=O
31150 Oc1cc2ccc(F)cc2[nH]c1=O
31151 Oc1cc2cc(F)ccc2[nH]c1=O
31152 Oc1cc2c(F)cccc2[nH]c1=O
31153 Oc1cc2cccc(Cl)c2[nH]c1=O
31154 Oc1cc2ccc(Cl)cc2[nH]c1=O
31155 Oc1cc2cc(Cl)ccc2[nH]c1=O
31156 Oc1cc2c(Cl)cccc2[nH]c1=O
31157 Cc1cccc2cc(O)c(=O)[nH]c12
31158 Cc1ccc2cc(O)c(=O)[nH]c2c1
31159 Cc1ccc2[nH]c(=O)c(O)cc2c1
31160 Cc1cccc2[nH]c(=O)c(O)cc12
31161 CCc1cccc2[nH]c(=O)c(O)cc12
31162 CCc1ccc2cc(O)c(=O)[nH]c2c1
31163 CCc1cccc2cc(O)c(=O)[nH]c12
31164 Oc1cc2cccnc2[nH]c1=O
31165 Oc1cc2cnccc2[nH]c1=O
31166 Oc1cc2ccncc2[nH]c1=O
31167 Oc1cc2ncccc2[nH]c1=O
31168 Oc1cc2nccnc2[nH]c1=O
31169 Cc1c(O)c(=O)[nH]c2ccccc12
31170 COc1cc2ccccc2[nH]c1=O
31171 Cn1c2ccccc2cc(O)c1=O
31172 Oc1cc2c(Cl)c(F)ccc2[nH]c1=O
31173 Oc1cc2c(Cl)c(F)cnc2[nH]c1=O
31174 N[C@H](CC(O)=O)C(O)=O
31175 Nc1nc(cs1)-c1ccc(cc1)C(F)(F)F
31176 COc1ccc(cc1)-c1csc(N)n1
31177 COc1ccc(cc1OC)-c1csc(N)n1
31178 Nc1nc(cs1)-c1ccc2OCOc2c1
31179 Nc1nc(cs1)-c1cccc(Cl)c1
31180 Cc1cccc(c1)-c1csc(N)n1
31181 COc1cccc(c1)-c1csc(N)n1
31182 Cc1ccccc1-c1csc(N)n1
31183 Nc1nc(cs1)-c1ccccc1Cl
31184 Nc1nc(cs1)-c1ccc(Cl)cc1Cl
31185 CCc1sc(N)nc1-c1ccc(OC)cc1
31186 CCCc1sc(N)nc1-c1ccc(OC)cc1
31187 CCc1sc(N)nc1-c1cccc(C)c1
31188 CCc1sc(N)nc1-c1ccccc1OC
31189 CCOc1ccc(cc1)-c1nc(N)sc1CC
31190 Nc1nc(cs1)-c1ccccc1
31191 Cc1ccc(cc1)-c1csc(N)n1
31192 Cc1ccc(-c2csc(N)n2)c(C)c1
31193 Nc1nc2c(ccc3ccccc23)s1
31194 Nc1nc(cs1)-c1cccc(OC(F)(F)F)c1
31195 COc1ccccc1-c1csc(N)n1
31196 CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r|
31197 COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6|
31198 CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r|
31199 CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r|
31200 CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1ccc(F)c(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r|
31201 CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cc(F)cc(Cl)c1)C(=O)Nc1cc(Cl)ccc21 |r|
31202 CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r|
31203 CC(C)(C)C[C@@H]1N[C@@H]([C@@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r|
31204 CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCCCC1 |r|
31205 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCO)c2c1C
31206 Cc1ccc2ccc(C(Nc3ccccc3)c3ccccc3)c(O)c2n1
31207 OC(=O)[C@H](Cc1c[nH]c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31208 OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31209 OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31210 OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2cc(Br)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31211 OC(=O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31212 OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31213 OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31214 OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2cc(Cl)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31215 OC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31216 OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31217 OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31218 OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2cc(F)ccc12)NC(=O)c1ccccc1Oc1ccccc1 |r|
31219 OC(=O)[C@H](Cc1c[nH]c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r|
31220 OC(=O)[C@H](Cc1cn(C(=O)CCC2CCCC2)c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r|
31221 OC(=O)[C@H](Cc1cn(C(=O)OCc2ccccc2)c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r|
31222 OC(=O)[C@H](Cc1cn(Cc2ccc(OCc3ccccc3)cc2)c2ccc(cc12)C#N)NC(=O)c1ccccc1Oc1ccccc1 |r|
31223 Cc1ccc2[nH]cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1 |r|
31224 Cc1ccc2n(cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1)C(=O)CCC1CCCC1 |r|
31225 Cc1ccc2n(cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1)C(=O)OCc1ccccc1 |r|
31226 Cc1ccc2n(Cc3ccc(OCc4ccccc4)cc3)cc(C[C@H](NC(=O)c3ccccc3Oc3ccccc3)C(O)=O)c2c1 |r|
31227 CC(C)(C)c1ccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc1
31228 CCCOC1(N(C(Cc2ccc(O)cc2)C(=O)OC)C(=O)c2ccccc12)c1ccccc1
31229 OC[C@H](NC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1)[C@@H](O)c1ccccc1 |r|
31230 CCCN1C(=O)c2ccccc2C1(NC(=O)c1ccc(cc1)C(C)(C)C)c1ccc(OCOCC[Si](C)(C)C)cc1
31231 CCCN1C(=O)c2ccccc2C1(NC(=O)c1ccccc1)c1ccc(cc1)C(C)(C)C
31232 COc1ccc(cc1)C(O)CNC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31233 [O-][N+](=O)c1cccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c1
31234 O=C1CCCN1CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31235 C=CC(=O)OCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31236 CCCCc1ncc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)[nH]1
31237 Oc1ccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc1
31238 COc1ccc(CCOC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc1OC
31239 CC(=O)NCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31240 O=C1N(Cc2ccccc2)C(OCCN2CCNCC2)(c2ccccc12)c1ccccc1
31241 Oc1cccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c1
31242 [O-][N+](=O)c1cc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)ccc1Cl
31243 Oc1ccccc1OCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31244 CC(C)(C)c1ccc(COC2(N(CCc3cnc[nH]3)C(=O)c3ccccc23)c2ccccc2)cc1
31245 O=Cc1ccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)o1
31246 Oc1ccc(C(=O)NCCOC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c(O)c1
31247 O=C1N(Cc2ccccc2)C(OCCNc2ccccc2)(c2ccccc12)c1ccccc1
31248 Cc1cccc(c1)N(CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1)CCC#N
31249 CN(CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1)c1ccc(C=O)cc1
31250 Cc1ccc(c(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c1)[N+]([O-])=O
31251 COc1cc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc(OC)c1O
31252 [O-]S(=O)(=O)CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31253 COc1ccc(cc1)[C@@H](O)COC1(N(CCCO)C(=O)c2ccccc12)c1ccccc1 |r|
31254 COCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31255 COC(=O)COC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
31256 COc1ccc(cc1)[C@@H](O)COC1(N(Cc2ccco2)C(=O)c2ccccc12)c1ccccc1 |r|
31257 CCCOC1(N(Cc2ccc(OC)cc2)C(=O)c2ccccc12)c1ccccc1
31258 COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCN(CCC#N)c1ccccc1)c1ccccc1
31259 COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCn1c(C)ncc1[N+]([O-])=O)c1ccccc1
31260 COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCOC(C)=O)c1ccccc1
31261 CCCOC1(N(CCO)C(=O)c2ccccc12)c1ccccc1
31262 CCCOC1(N(CCCC(OC)OC)C(=O)c2ccccc12)c1ccccc1
31263 CCCN1C(=O)c2ccccc2C1(OCCS(C)(=O)=O)c1ccc(cc1)C(C)(C)C
31264 CCCN1C(=O)c2ccccc2C1(OCCNC(=O)c1ccccc1O)c1ccc(cc1)C(C)(C)C
31265 CCCN1C(=O)c2ccccc2C1(OCc1cc2OCOc2cc1[N+]([O-])=O)c1ccc(cc1)C(C)(C)C
31266 CCCN1C(=O)c2ccccc2C1(OCCc1ccc(O)cc1)c1ccc(cc1)C(C)(C)C
31267 CCCN1C(=O)c2ccccc2C1(OCCN1CCNC1=O)c1ccc(cc1)C(C)(C)C
31268 CCCN1C(=O)c2ccccc2C1(OCc1[nH]cnc1C)c1ccc(cc1)C(C)(C)C
31269 CCCN1C(=O)c2ccccc2C1(OCc1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)c1ccc(OCOCC[Si](C)(C)C)cc1
31270 CC(=O)NCCN1C(=O)c2ccccc2C1(OCc1ccc(cc1)C(C)(C)C)c1ccccc1
31271 CC(=C)C(=O)OCCN1C(=O)c2ccccc2C1(N[C@@H](CO)[C@@H](O)c1ccccc1)c1ccccc1 |r|
31272 c1ccc(cc1)C(N=Nc1nc2ccccc2s1)c1ccccn1 |w:7.7|
31273 OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
31274 OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1
31275 OC(=O)COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1
31276 CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(O)=O
31277 Oc1ccc2ccc3OCN(Cc4ccccc4)Cc3c2c1
31278 CCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)\C=C\C(=O)c2ccc(Cl)cc2)cc1
31279 O=C(CC(=Nc1ccccc1)c1ccccc1)Nc1ccccc1 |w:4.4|
31280 CCOc1ccc(NC(=O)CC(=Nc2ccccc2)c2ccccc2)cc1 |w:12.12|
31281 O=C(C(C=Nc1ccccc1)c1ccccc1)C(=S)Nc1ccccc1 |w:3.2|
31282 CCC(C)Cc1ccc(OCC(O)=O)c(Cl)c1Cl
31283 OC(=O)COc1c(Br)cc(\C=C\C(=O)c2ccc3ccccc3c2)cc1Br
31284 CC(C)Oc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)N=Nc1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O |w:23.25|
31285 OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31286 OC(=O)[C@H](N1[C@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31287 Nc1cc(Cl)ccc1CN1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O |r|
31288 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r|
31289 COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31290 COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2O)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31291 COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2OCC=C)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31292 COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)nc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31293 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r|
31294 Nc1cc(Cl)ccc1CN1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCOCC2)c2ccc(I)cc2C1=O |r|
31295 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1cc(F)c(Cl)cc1N |r|
31296 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1cc(O)c(Cl)cc1N |r|
31297 Fc1cc(Cl)ccc1CN1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O |r|
31298 Nc1cc(ccc1Cl)C1(CC1)N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O |r|
31299 Cc1cc(Cl)ccc1CN1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O |r|
31300 CN(C)CCCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31301 CN(C)CCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31302 CN1CCN(CCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 |r|
31303 CN1CCN(CCCCN2c3ccc(I)cc3C(=O)N(Cc3ccc(Cl)cc3N)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 |r|
31304 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
31305 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31306 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31307 C[C@@H](N1[C@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31308 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12
31309 C[C@H](N1[C@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r|
31310 COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31311 COCCOCCN1c2ccc(I)cc2C(=O)N([C@@H](C)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O |r|
31312 COCC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12
31313 CC#Cc1ccc2N(CCN3CCOCC3)C(=O)[C@@H](N([C@H](C)c3ccc(Cl)cc3N)C(=O)c2c1)c1ccc(Cl)cc1 |r|
31314 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r|
31315 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CC(=O)N2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31316 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CC(=O)N2CCNCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r|
31317 CN(C)CCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OCCC(F)(F)F)c2c1C
31318 OC(=O)C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31319 OCCNC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31320 OC(=O)CCNC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31321 OC(=O)CCCCNC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31322 CN(C)CCNC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31323 CN1c2ccc(I)cc2C(=O)N([C@H](C(O)=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31324 CNC(=O)CN1c2ccc(I)cc2C(=O)N([C@H](C(O)=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31325 OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(Cc2ccncc2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31326 OC(=O)CN1c2ccc(I)cc2C(=O)N([C@H](C(O)=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31327 OC(=O)CCN1c2ccc(I)cc2C(=O)N([C@H](C(O)=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31328 OC(=O)CCCCN1c2ccc(I)cc2C(=O)N([C@H](C(O)=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31329 CN(C)CCN1c2ccc(I)cc2C(=O)N([C@H](C(O)=O)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31330 COC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31331 CCN(CC)C(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31332 OC(=O)CCCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31333 C[C@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31334 CC(F)COc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12
31335 OC(=O)CCCCN1c2ccc(I)cc2C(=O)N([C@H](C2CC2)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r|
31336 C[C@@H](N1[C@@H](c2ccc(cc2)C(F)(F)F)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31337 C[C@@H](N1[C@@H](c2ccc(OC(F)(F)F)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
31338 C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(cc2C1=O)C#C)c1ccc(Cl)cc1 |r|
31339 CC#Cc1ccc2N(CCCCC(O)=O)C(=O)[C@@H](N([C@H](C)c3ccc(Cl)cc3)C(=O)c2c1)c1ccc(Cl)cc1 |r|
31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
31342 O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1c2ccccc2Sc2ccccc12
31344 Fc1ccccc1C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1
31345 CCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1
31346 CSc1ccccc1NC(=O)C1CC(=NO1)c1ccccc1O |c:14|
31347 COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
31348 CC1CCCCN1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc12
31349 CCc1ccccc1NC1N(Cc2ccco2)C(=O)c2ccccc12
31350 Cc1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)[N+]([O-])=O)cc1
31351 O=C(Nc1ccccc1)C(C1CCCC1)c1ccccc1
31352 O=C(Nc1ccc2ccccc2c1)C(C1CCCC1)c1ccccc1
31353 Cc1ccc(NC(=O)C(C2CCCC2)c2ccccc2)cc1
31354 COc1ccc(cc1)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
31355 Cc1cccc(c1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1cccc(C)c1
31356 FC(F)(F)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1
31357 Cc1cc(C(=O)OC(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c(C)o1
31358 FC(F)(F)c1cccc(NC(=O)C(OC(=O)C2CCCCC2)c2ccccc2)c1
31359 CC(C(=O)Nc1ccc(C)c(Cl)c1)c1ccc(cc1)[N+]([O-])=O
31360 Cc1ccc(NC(=O)C(OC(=O)c2ccc(F)cc2)c2ccccc2)cc1Cl
31361 FC(F)Oc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl
31362 Cc1ccc(NC(=O)C(OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl
31363 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1
31364 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)C2CC2c2ccccc2)o1
31365 Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
31366 CC1C(N(C)C(CC1(O)c1ccc(F)cc1)c1ccccc1)c1ccccc1
31367 Brc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
31368 Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1CC1CCCO1
31369 COc1ccc(CCn2nnnc2C(N2CCN(CC=C)CC2)c2ccc(Cl)cc2)cc1OC
31370 Fc1ccc(NC(=O)c2c(Oc3ccc(Cl)cc3)nccc2C(F)(F)F)c(F)c1
31371 Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1
31372 [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|
31373 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
31374 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
31375 COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
31376 COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C)C(C)C |r|
31377 COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C(C)C)C(C)C |r|
31378 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
31379 COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(cc1OC)C(=O)N(C(C)C)C(C)C |r|
31380 COc1cc(ccc1C(=O)N[C@@H](CC(C)C)C(O)=O)C(=O)N(C(C)C)C(C)C |r|
31381 CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
31382 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N(C(C)C)C(C)C |r|
31383 CC(C)C[C@H](NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
31384 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc(cc1)[N+]([O-])=O)C(=O)N(C(C)C)C(C)C |r|
31385 CC(C)C[C@H](NC(=O)c1ccc(cc1NC(C)C)C(=O)N(C(C)C)C(C)C)C(O)=O |r|
31386 COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
31387 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(C)C |r|
31388 CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(C)C |r|
31389 COC(=O)CNC(=O)c1ccc(cc1)C(=O)N(C)C
31390 CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OC)c(OC(C)C)c1 |r|
31391 CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)OC)c(OC(C)C)c1 |r|
31392 COC(=O)[C@H](C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
31393 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C |r|
31394 COC(=O)[C@@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)CC(C)C)C(C)C |r|
31395 CC(C)Oc1cc(ccc1C(=O)N[C@@H](C)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
31396 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1)C(O)=O |r|
31397 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1OC(C)C)C(=O)N(c1ccccc1)c1ccccc1 |r|
31398 CC(C)Oc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N(c1ccccc1)c1ccccc1 |r|
31399 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C)C(O)=O)C(O)=O |r|
31400 CC(C)C[C@H](NC(=O)c1ccc(cc1O)C(=O)NCC(O)=O)C(O)=O |r|
31401 CC(C)C[C@H](NC(=O)c1ccc(cc1OC(C)C)C(=O)N(CC(C)C)[C@@H](C(C)C)C(O)=O)C(O)=O |r|
31402 CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccccc2)c1)C(O)=O |r|
31403 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
31404 CC(C)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(O)=O)c(Oc2ccc3ccccc3c2)c1)C(O)=O |r|
31405 COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
31406 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1cccc2ccccc12)-c1ccc(CCC(O)=O)cc1CC(C)C
31407 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1C(C)C)-c1ccc(CCC(O)=O)cc1CC(C)C
31408 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccccc1)-c1ccc(CCC(O)=O)cc1CC(C)C
31409 CC(C)Cc1cc(ccc1OCC(O)=O)-c1ccc(cc1Cc1ccc2ccccc2c1)-c1ccc(CCC(O)=O)cc1CC(C)C
31410 CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
31411 CC(C)Cc1cc(CCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1ccc(OCC(O)=O)c(Cc2cccc3ccccc23)c1
31412 Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(C)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
31413 Cc1cc(CCC(O)=O)ccc1-c1cc(C)c(c(CCC(O)=O)c1)-c1ccc(OCC(O)=O)c(Cc2ccccc2)c1
31414 COC(=O)CCc1ccc(cc1)-c1ccc(cc1)-c1ccc(OCC(=O)OC)cc1
31415 COC(=O)CCc1ccc(c(CC(C)C)c1)-c1ccc(-c2ccc(OCC(=O)OC)c(CC(C)C)c2)c(c1)C(C)C
31416 CC(C)Cc1cc(ccc1OCC[NH3+])-c1ccc(cc1C(C)C)-c1ccc(CCC[NH3+])cc1CC(C)C
31417 Cc1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C
31418 CC(C)c1cccc(c1)-c1ccc(cc1C)-c1ccc(OCC(O)=O)cc1C
31419 CC(C)Cc1cc(OCC(O)=O)ccc1-c1ccc(c(CC(C)C)c1)-c1cccc(c1)C(C)C
31420 CCc1cc(ccc1-c1cccc(Cc2ccccc2)c1)-c1ccc(OCC(O)=O)cc1C(C)C
31421 CCc1cc(ccc1-c1cccc(Cc2cccc3ccccc23)c1)-c1ccc(OCC(O)=O)cc1C(C)C
31422 OC(=O)COc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
31423 Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
31424 Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)CC1CCN(CC1)C(=O)OC(C)(C)C
31425 Cc1ccccc1S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
31426 Cn1cncc1CN(CCN(CC1CCN(CC1)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1-c1cccc(CCC(O)=O)c1)c1ccc(cc1)C#N
31427 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](-[#6])=O)cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31428 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](-[#6])=O)c(-[#6])c1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31429 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](-[#6])=O)c(c1)-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31430 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](-[#6])=O)cc1-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31431 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](-[#6])=O)cc1-c1cccc2ccccc12)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31432 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)c(c1)-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31433 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)cc1-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31434 [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-c1ccc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](-[#6])=O)cc1)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1
31435 NC(=N)NCCNc1ccc(cc1)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31436 NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31437 Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccccc3)cc2)cc1
31438 Cc1cccc(CN(Cc2cccc(C)c2)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccccc3)cc2)c1
31439 NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)-c1ccccc1)Cc1ccc(cc1)-c1ccccc1
31440 NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
31441 NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12
31442 CC(C)c1ccc(CN(Cc2ccc(cc2)C(C)C)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccccc3)cc2)cc1
31443 NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1
31444 NC(=N)NCCNc1ccc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N
31445 CC(C)c1ccc(CN(Cc2ccc(cc2)C(C)C)c2ccc(NC(=O)c3ccc(NCCNC(N)=N)c(c3)-c3ccc4ccccc4c3)cc2)cc1
31446 NC(=N)NCCNc1ccc(cc1-c1ccc2ccccc2c1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N
31447 CC(=O)Nc1ccc(cc1)-c1cc(ccc1NCCNC(N)=N)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31448 COC(=O)c1ccc(cc1)-c1cc(ccc1NCCNC(N)=N)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31449 NC(=N)NCCNc1ccc(cc1-c1ccc(cc1)-c1ccccc1)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31450 NC(=N)NCCNc1ccc(cc1-c1ccc(cc1)C#N)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31451 CC(C)c1ccc(cc1)-c1cc(ccc1NCCNC(N)=N)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31452 NC(=N)NCCNc1ccc(cc1-c1ccc2ccccc2c1)C(=O)Nc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
31453 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc2c(c1)n(-[#6]-c1ccccc1)c(=O)n(-[#6]-c1ccccc1)c2=O |r|
31454 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#6](=O)-[#7]-c1ccc2n(-[#6]-c3ccccc3)c(=O)n(-[#6]-c3ccccc3)c(=O)c2c1 |r|
31455 CC(C)c1ccc(CN(Cc2ccc(cc2)C(C)C)c2ccc(NC(=O)c3ccc(NC(=O)CNC(N)=N)c(c3)-c3ccc4ccccc4c3)cc2)cc1
31456 NC(=N)NCC(=O)Nc1ccc(cc1-c1ccc2ccccc2c1)C(=O)Nc1ccc(cc1)N(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N
31457 NC(N)=NCC(=O)Nc1ccc(cc1)-c1cc2cc(ccc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 |(-17.82,3.92,;-17.05,2.59,;-17.82,1.26,;-15.51,2.59,;-14.74,3.92,;-13.2,3.92,;-12.43,2.59,;-12.43,5.25,;-10.89,5.25,;-10.12,6.59,;-8.58,6.58,;-7.81,5.25,;-8.58,3.92,;-10.12,3.92,;-6.27,5.25,;-5.36,6.5,;-3.9,6.02,;-2.57,6.79,;-1.23,6.02,;-1.23,4.48,;-2.57,3.71,;-3.9,4.48,;-5.36,4,;.1,6.79,;1.43,6.02,;1.43,4.48,;.1,3.71,;.1,2.17,;1.43,1.4,;2.77,2.17,;2.77,3.71,;.1,8.33,;1.43,9.1,;1.43,10.64,;2.77,11.41,;4.1,10.64,;4.1,9.1,;2.77,8.33,)|
31458 NC(N)=NCC(=O)Nc1ccc(cc1)-c1cc2cc(ccc2[nH]1)N(Cc1ccc(cc1)C#N)Cc1ccc(cc1)C#N |(-17.82,3.92,;-17.05,2.59,;-17.82,1.26,;-15.51,2.59,;-14.74,3.92,;-13.2,3.92,;-12.43,2.59,;-12.43,5.25,;-10.89,5.25,;-10.12,6.59,;-8.58,6.58,;-7.81,5.25,;-8.58,3.92,;-10.12,3.92,;-6.27,5.25,;-5.36,6.5,;-3.9,6.02,;-2.57,6.79,;-1.23,6.02,;-1.23,4.48,;-2.57,3.71,;-3.9,4.48,;-5.36,4,;.1,6.79,;1.43,6.02,;1.43,4.48,;.1,3.71,;.1,2.17,;1.43,1.4,;2.77,2.17,;2.77,3.71,;1.43,-.14,;1.43,-1.68,;.1,8.33,;1.43,9.1,;1.43,10.64,;2.77,11.41,;4.1,10.64,;4.1,9.1,;2.77,8.33,;5.44,11.41,;6.77,12.18,)|
31459 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1ccc(cc1)C(N)=N
31460 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(O)cc1C(=O)Nc1ccc(cc1)C(N)=N
31461 COc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
31462 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
31463 CCc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
31464 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CC=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
31465 CCCc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
31466 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#C
31467 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(C)=C
31468 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(C=C=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
31469 CC#Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
31470 C\C=C/Cc1ccc(c(c1)C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
31471 [#6]-[#6](-[#6])-[#6]-[#7]-[#6](=O)-c1ccc(c(c1)-[#6](-[#8])=O)-c1ccc(-[#6]\[#6]=[#6](\[#6])-[#6])cc1-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=[#7]
31472 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(\C=C/C(C)=C)cc1C(=O)Nc1ccc(cc1)C(N)=N
31473 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(\C=C/CO)cc1C(=O)Nc1ccc(cc1)C(N)=N
31474 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CO
31475 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(=C)CCO
31476 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CCO
31477 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CCCO
31478 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C#CC(C)(C)O
31479 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)C(O)CO
31480 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CN=[N+]=[N-])cc1C(=O)Nc1ccc(cc1)C(N)=N
31481 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(CN)cc1C(=O)Nc1ccc(cc1)C(N)=N
31482 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccccc1
31483 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2ccccc2)cc1C(=O)Nc1ccc(cc1)C(N)=N
31484 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccncc1
31485 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccnc1
31486 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccs1
31487 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1
31488 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccco1
31489 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1
31490 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc[nH]1
31491 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cccn1C
31492 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1nccs1
31493 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(Cc2cccs2)cc1C(=O)Nc1ccc(cc1)C(N)=N
31494 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1C(O)=O
31495 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccsc1CO
31496 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1sccc1CO
31497 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CO
31498 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccc(CO)s1
31499 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN=[N+]=[N-]
31500 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cscc1CN
31501 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1ccoc1CO
31502 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1cocc1CO
31503 CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(cc1C(=O)Nc1ccc(cc1)C(N)=N)-c1occc1CO
31504 NC(=N)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1
31505 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC(CCC[N-]C(N)=[NH2+])C(=O)Nc1ccc(cc1)[N+]([O-])=O
31508 C[C@@H](NC(=O)c1ccccc1C)c1ccc2ccccc2c1 |r|
31509 C[C@@H](NC(=O)c1cccc(C)c1)c1ccc2ccccc2c1 |r|
31510 C[C@@H](NC(=O)c1ccc(C)cc1)c1ccc2ccccc2c1 |r|
31511 COc1ccccc1C(=O)N[C@H](C)c1ccc2ccccc2c1 |r|
31512 COc1cccc(c1)C(=O)N[C@H](C)c1ccc2ccccc2c1 |r|
31513 COc1ccc(cc1)C(=O)N[C@H](C)c1ccc2ccccc2c1 |r|
31514 C[C@@H](NC(=O)c1c(C)cccc1C)c1ccc2ccccc2c1 |r|
31515 C[C@@H](NC(=O)c1ccccc1O)c1ccc2ccccc2c1 |r|
31516 C[C@@H](NC(=O)c1ccc(N)cc1)c1ccc2ccccc2c1 |r|
31517 C[C@@H](NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc2ccccc2c1 |r|
31518 CCC(NC(=O)c1ccccc1C)c1ccc2ccccc2c1
31519 Cc1ccccc1C(=O)NC(c1ccccc1)c1ccc2ccccc2c1
31520 C[C@@H](NC(=O)c1ccccc1C)c1cccc2ccccc12 |r|
31521 C[C@@H](N(C)C(=O)c1ccccc1C)c1cccc2ccccc12 |r|
31522 C[C@@H](NC(=O)c1ccc(N)cc1)c1cccc2ccccc12 |r|
31523 C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 |r|
31524 C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12 |r|
31525 Cc1ccc(N)cc1C(=O)NC(C)(C)c1cccc2ccccc12
31526 C[C@@H](NC(=O)c1cc(ccc1C)C#N)c1cccc2ccccc12 |r|
31527 COCc1ccc(N)cc1C(=O)N[C@H](C)c1cccc2ccccc12 |r|
31528 C[C@@H](NC(=O)c1cc(I)ccc1C)c1cccc2ccccc12 |r|
31529 C[C@@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12 |r|
31530 CNCc1ccc(C)c(c1)C(=O)N[C@H](C)c1cccc2ccccc12 |r|
31531 C[C@@H](NC(=O)c1cc(CN)ccc1C)c1cccc2ccccc12 |r|
31532 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
31533 CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
31534 Cn1nc(C(=O)NC2CC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
31535 Cn1nc(C(=O)NCCO)c2CCc3cnc(Nc4ccccc4)nc3-c12
31536 Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
31537 Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
31538 Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
31539 CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
31540 CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
31541 CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
31542 Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c12
31543 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2(C)C
31544 CN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4c(nn(C)c4-c3n2)C(N)=O)cc1
31545 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
31546 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCN(C)CC3)nc-21
31547 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21
31548 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCOCC3)nc-21
31549 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc-21
31550 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc-21
31551 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCN(C)CC4)cc3)nc-21
31552 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCN(C)CC4)c3)nc-21
31553 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCOCC4)cc3)nc-21
31554 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCOCC4)c3)nc-21
31555 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N(C)C)nc-21
31556 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21
31557 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN(C)C)cc3)nc-21
31558 CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc-21
31559 COc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1F
31560 COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1F
31561 C(Sc1nnc(o1)-c1ccc2OCCc2c1)c1ccccc1
31562 Fc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
31563 COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1
31564 Clc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
31565 Clc1ccccc1CSc1nnc(o1)-c1ccc2OCCc2c1
31566 Clc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1
31567 N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
31568 FC(F)(F)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
31569 COC(=O)c1cccc(CSc2nnc(o2)-c2ccc3OCCc3c2)c1
31570 COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1Cl
31571 COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C#N
31572 COc1ccc(CSc2nnc(o2)-c2ccc3OCCc3c2)cc1C(F)(F)F
31573 Fc1cccc(CCc2nnc(o2)-c2ccc3OCCc3c2)c1
31574 Fc1cccc(CNc2nnc(o2)-c2ccc3OCCc3c2)c1
31575 Fc1cccc(COc2nnc(o2)-c2ccc3OCCc3c2)c1
31576 Fc1cccc(SCc2nnc(o2)-c2ccc3OCCc3c2)c1
31577 COc1ccc(CSc2nnc(o2)-c2ccc3occc3c2)cc1C(F)(F)F
31578 COc1ccc(CSc2nnc(o2)-c2ccc3ncsc3c2)cc1C(F)(F)F
31579 COc1ccc(CSc2nnc(o2)-c2ccc3[nH]ncc3c2)cc1C(F)(F)F
31580 COc1ccc(CSc2nnc(o2)-c2ccc3nccn3c2)cc1C(F)(F)F
31581 COc1ccc(CSc2nnc(o2)-c2ccc3ncccc3c2)cc1C(F)(F)F
31582 COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1
31583 COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1
31584 COc1ccc(cc1)-c1coc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
31585 COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2ccc(OC)c(c2)C(F)(F)F)o1
31586 COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1
31587 COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
31588 Cn1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C(F)(F)F)o1
31589 COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1cccs1
31590 C(Oc1ccc(cc1)-c1n[nH]cc1Cc1ccncc1)c1ccc2ccccc2n1
31591 C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccncc1)c1ccc2ccccc2n1
31592 Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
31593 Cn1ncc(c1-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
31594 CCn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
31595 CCn1ncc(c1-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
31596 FC(F)(F)Cn1cc(c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1)-c1ccncc1
31597 C(Oc1ccc(cc1)-c1oncc1-c1ccncc1)c1ccc2ccccc2n1
31598 Cc1ncc(-c2ccncc2)c(n1)-c1ccc(OCc2ccc3ccccc3n2)cc1
31599 C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccncn1)c1ccc2ccccc2n1
31600 C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccnnc1)c1ccc2ccccc2n1
31601 C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccccc1)c1ccc2ccccc2n1
31602 C(Oc1ccc(cc1)-c1n[nH]cc1-c1ccccn1)c1ccc2ccccc2n1
31603 Cc1cc(on1)-c1c[nH]nc1-c1ccc(OCc2ccc3ccccc3n2)cc1
31604 Cn1cc(c(n1)-c1ccc(OCc2cnc3ccccc3n2)cc1)-c1ccncc1
31605 Cn1cc(c(n1)-c1ccc(OCc2nc3ccccc3n2C)cc1)-c1ccncc1
31606 Cn1cc(c(n1)-c1ccc(OCc2cn3ccccc3n2)cc1)-c1ccncc1
31607 Cn1cc(c(n1)-c1ccc(OCc2nc3ccccn3n2)cc1)-c1ccncc1
31608 Nc1c(cc[n+]([O-])c1-c1ccccc1)C(=O)c1ccccc1
31609 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccccc1 |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-4.23,11.16,;-5.55,11.95,;-6.9,11.2,;-6.92,9.66,;-5.59,8.87,)|
31610 Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccccc1 |(1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-4.23,11.16,;-5.55,11.95,;-6.9,11.2,;-6.92,9.66,;-5.59,8.87,)|
31611 Nc1c(cc[n+]([O-])c1-c1ccc(Cl)cc1)C(=O)c1ccccc1
31612 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccccc1Cl |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31613 COc1ccccc1C(=O)c1cc[n+]([O-])c(c1N)-c1ccccc1Cl |(-2.87,13.46,;-2.89,11.92,;-4.23,11.16,;-5.55,11.95,;-6.9,11.2,;-6.92,9.66,;-5.59,8.87,;-4.25,9.63,;-2.92,8.86,;-1.58,9.63,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,)|
31614 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccccc1C(F)(F)F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,;-3.66,13.25,;-2.12,10.58,;-1.55,12.69,)|
31615 Nc1c(cc[n+]([O-])c1-c1ccccc1Cl)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31616 Nc1c(cc[n+]([O-])c1-c1cccc(Cl)c1)C(=O)c1ccc(F)cc1F
31617 Nc1c(cc[n+]([O-])c1-c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1F
31618 COc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(2.42,7.32,;1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31619 Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(1.08,6.55,;1.08,5.01,;2.42,4.23,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31620 CC(C)c1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-3.07,1.53,;-1.58,1.92,;-.99,.5,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31621 Nc1c(cc[n+]([O-])c1-c1c(Cl)cccc1Cl)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31622 Nc1c(cc[n+]([O-])c1-c1c(F)cccc1F)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31623 Cc1cccc(C)c1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31624 COc1cccc(OC)c1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,.38,;-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;1.08,6.55,;2.42,7.32,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31625 COc1cccc(c1OC)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(2.42,-.39,;1.08,.38,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;-1.58,.38,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31626 Nc1c(cc[n+]([O-])c1-c1cccc2OCOc12)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;3.56,5.27,;2.94,6.67,;1.4,6.51,;1.08,5.01,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31627 Nc1c(cc[n+]([O-])c1-c1ccc(F)cc1F)C(=O)c1ccc(F)cc1F |(-.25,7.32,;-1.58,6.55,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-1.58,5,;-.25,4.23,;1.08,5.01,;2.42,4.23,;2.42,2.69,;3.75,1.92,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31628 Cc1cc(Cl)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31629 COc1cc(F)c(c(F)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(5.09,2.69,;3.75,1.92,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-.25,4.23,;1.08,5.01,;1.08,6.55,;2.42,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31630 Cc1cc(O)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31631 Cc1cc(ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F)C(O)=O |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,;3.75,1.92,;3.75,.38,;5.09,2.69,)|
31632 Cc1cc(OCCN2CCOCC2)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;5.09,2.69,;6.42,1.92,;7.75,2.69,;7.8,4.23,;9.16,4.96,;10.47,4.15,;10.42,2.61,;9.06,1.88,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31633 Cc1cc(ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F)C(=O)NCCN1CCOCC1 |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,;3.75,1.92,;3.75,.38,;5.09,2.69,;6.42,1.92,;7.75,2.69,;9.06,1.88,;9.06,.34,;10.4,-.43,;11.73,.34,;11.73,1.88,;10.4,2.65,)|
31634 COCCOc1ccc(c(C)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(9.06,1.88,;7.75,2.69,;6.42,1.92,;5.09,2.69,;3.75,1.92,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31635 COCCNC(=O)c1ccc(c(C)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(10.42,2.61,;9.06,1.88,;7.75,2.69,;6.42,1.92,;5.09,2.69,;3.75,1.92,;3.75,.38,;2.42,2.69,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-.25,2.69,;-1.58,1.92,;1.08,1.92,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
31636 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccncc1)c2C(N)=O
31637 CC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
31638 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1c(F)cccc1F)c2C(N)=O
31639 CNC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2CC(CCc12)C(C)(C)C
31640 CC1CCc2c(C1)sc(NC(=O)c1cccc(c1)[N+]([O-])=O)c2C(N)=O
31641 CC1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[N+]([O-])=O)c2C(N)=O
31642 NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CCCCc12
31643 CC1CCCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c12
31644 CC1(C)CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
31645 CC1CCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c2C1
31646 CC(C)(C)C1CCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c2C1
31647 CCC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
31648 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
31649 CCCC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
31650 NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CC(CCc12)c1ccccc1
31651 Cc1cccc(C)c1C(=O)C1CCCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c12
31652 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1 |r|
31653 Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31654 Nc1ccccc1SC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31655 Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r|
31656 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1 |r|
31657 Oc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31658 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1 |r|
31659 COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31660 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Cl)cc3)O2)cc1 |r|
31661 Fc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31662 [O-][N+](=O)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31663 FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r|
31664 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSC3CCCCC3)O2)cc1 |r|
31665 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 |r|
31666 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3cccc(Br)c3)O2)cc1 |r|
31667 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3Br)O2)cc1 |r|
31668 Nc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31669 Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31670 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C34CC5CC(CC(C5)C3)C4)O2)cc1 |r,TLB:32:27:34:30.31.33,THB:32:31:28.27.26:34,28:27:29.34.30:33,28:29:27.26.32:33|
31671 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccccc3)O2)cc1 |r|
31672 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(Br)cc3)O2)cc1 |r|
31673 Fc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31674 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)-c3ccccc3)O2)cc1 |r|
31675 COc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r|
31676 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(I)cc3)O2)cc1 |r|
31677 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C#N)O2)cc1 |r|
31678 Oc1ccc(cc1)[N+]([O-])=O
31679 C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31680 OC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31681 CSC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31682 FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31683 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](Cn3ccnc3)O2)cc1 |r|
31684 ClC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31685 Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CN=[N+]=[N-])O2)cc1 |r|
31686 NC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31687 COC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r|
31688 CCCCCCCCCCCCOS(O)(=O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
31689 CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21
31690 Nc1nc2NC(CC(c3ccco3)n2n1)c1ccc(Cl)cc1Cl
31691 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1
31692 CC(C)(C)n1nnnc1C(N1CCSCC1)c1ccc2ncccc2c1
31693 CCOC(=O)N1CCN(CC(=O)Nc2cc(OCC)ccc2OCC)CC1
31694 CC(=O)Nc1cc2OCCOc2cc1C(C)=O
31695 C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
31696 NC(=O)COc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2oc3ccccc3c(=O)c12
31697 Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
31698 CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1
31699 COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1
31700 COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1
31701 COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
31702 CCOC(=O)C1CCN(CC1)C(=O)Cc1c(F)cccc1Cl
31703 Cc1ccc(C)n1-c1cccc(c1)C(O)=O
31704 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
31705 CCOn1c2ccccc2[n+]([O-])c(-c2cc3ccccc3o2)c1=O
31706 CCOc1ccccc1N1Cc2cc(C)c(C)cc2C1
31707 [H]C12CC([H])(C=C1)C1(C)C2C(=O)N(C1=O)c1cccc2c(C)ccnc12 |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6,8:7:2:5.6|
31708 Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1
31709 Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
31710 Cc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
31712 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
31713 O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
31714 CCn1nccc1C(=O)Nc1ccc(Cl)cn1
31715 OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|
31716 Cc1ccc(cc1)C(=O)ONc1ccc(cc1)\N=N\C(=O)c1ccccc1O
31717 Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2)cc1
31718 CCOC(=O)CNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O
31719 CCCc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc23)c1C#N
31720 OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2|
31721 [O-][N+](=O)c1ccc(Cl)c(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)c1 |w:9.8|
31722 O=C1C(Cc2ccccc12)Sc1nnc(-c2ccco2)c(n1)-c1ccco1
31723 OC(=O)C1Nc2ccc(cc2C2C=CCC12)[N+]([O-])=O |c:13|
31724 COc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:10|
31725 OC(=O)C1Nc2ccccc2C2C=CCC12 |c:13|
31726 Cc1ccc2C3C(Cl)C(CC3C(Nc2c1Cl)C(O)=O)Sc1ccccc1[N+]([O-])=O
31727 Cc1cc(C)c2C3C=CCC3C(Nc2c1)C(O)=O |c:7|
31728 OC(=O)C1Nc2c(Cl)cc(Cl)cc2C2C=CCC12 |c:15|
31729 OC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:14|
31730 OC(=O)C1Nc2c(cccc2C(=O)Oc2ccc(cc2)-c2ccccc2)C2C=CCC12 |c:30|
31731 OC(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
31732 OC(=O)C1Nc2c(cccc2C(F)(F)F)C2C=CCC12 |c:17|
31733 OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
31734 CCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:13|
31735 Brc1cnc2c(c1)nc1s\c(=C/c3ccco3)c(=O)n21
31736 [O-][N+](=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
31737 Cc1cc(C)c2nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2c1
31738 Cc1ccc2c(nc3s\c(=C/c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n23)c1C
31739 Cc1cc2nc3s\c(=C\c4ccc(o4)-c4ccccc4C(O)=O)c(=O)n3c2cc1C
31740 OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)Oc1ccc2ccccc2c1 |c:13|
31741 CC(C)COC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
31742 CCCCOC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
31743 CCOC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:23|
31744 OC(=O)C1Nc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2C2C=CCC12 |c:25|
31745 COC(=O)c1ccccc1OC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:22|
31746 OC(=O)C1Nc2c(Cl)cc(Cl)c(Cl)c2C2C=CCC12 |c:16|
31747 NC(=O)c1cccc2C3C=CCC3C(Nc12)C(O)=O |c:9|
31748 OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
31749 Cc1ccc2c(NC(NS2(=O)=O)C(O)=O)c1
31750 CSc1nnc(-c2ccco2)c(n1)-c1ccco1
31751 Clc1ccccc1CSc1nnc(-c2ccco2)c(n1)-c1ccco1
31752 CCCCCC#CCC#CCC#CCC#CCCCC(O)=O
31753 Oc1c(cc(c2cccnc12)S([O-])(=O)=O)N=Nc1ccc2cc(ccc2c1)S([O-])(=O)=O |w:16.18|
31754 O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1
31755 C(Sc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
31756 Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O |c:6|
31757 OC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:14|
31758 Cc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:9|
31759 OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
31760 Cc1ccc(O)c2NC(C3CC=CC3c12)C(O)=O |c:11|
31761 OC(=O)C1Nc2c(cccc2S(=O)(=O)c2ccccc2)C2C=CCC12 |c:23|
31762 OC(=O)C1Nc2c(cccc2N2CCOCC2)C2C=CCC12 |c:20|
31763 OC(=O)C1Nc2c(F)cccc2C2C=CCC12 |c:14|
31764 CCCCCc1nnc(NC(=O)Cc2cccs2)s1
31765 Cc1cc(NC(=O)Cc2cccs2)no1
31768 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
31769 CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
31770 Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
31771 Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
31772 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
31773 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
31774 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
31775 COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl |t:2|
31776 Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
31777 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
31778 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
31779 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)cc1
31780 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)[N+]([O-])=O
31781 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)ccc1OC
31782 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1
31783 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
31784 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1
31785 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
31786 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
31787 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
31788 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
31789 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(OC)cc(OC)c1
31790 CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1Cl
31791 COC(=O)c1ccc2nc(N)sc2c1
31792 CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1
31793 Nc1nc2ccc(cc2s1)C(=O)N1CCCCC1
31794 Nc1nc2ccc(Cl)cc2[nH]1
31795 Cc1cccc(c1)-c1ccc2nc(N)[nH]c2c1
31796 CCn1c(N)nc2ccccc12
31797 Nc1nc2ccccc2n1CCc1ccccc1
31798 Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
31799 Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
31800 CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12
31801 Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
31802 CC(C)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)cc2c1O |(-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;.37,11.24,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
31803 Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-6.3,1.23,;-6.3,-.31,;-7.63,-1.08,;-7.63,-2.62,;-6.3,-3.39,;-4.97,-2.62,;-4.97,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;3.04,11.24,;3.04,12.78,;1.7,13.55,;1.7,15.09,;3.04,15.86,;4.37,15.09,;4.37,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
31804 Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-2.3,-1.08,;-3.63,-.31,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
31805 Cc1cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3ccccc3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
31806 Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;-.96,-.31,;.37,-1.08,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;4.37,13.55,;5.7,12.78,;5.7,11.24,;7.04,10.47,;8.37,11.24,;8.37,12.78,;9.7,13.55,;7.04,13.55,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
31807 CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCCc4ccc(CC)cc4)c(O)c(O)cc3c2O)cc1 |(11.04,11.24,;9.7,10.47,;8.37,11.24,;7.04,10.47,;5.7,11.24,;5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,2,;-.96,1.23,;.37,2,;.37,3.54,;-.96,-.31,;-2.3,-1.08,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;7.04,13.55,;8.37,12.78,)|
31808 Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(c(C)cc23)-c2c(C)cc3c(C(=O)NCc4c(C)cc(C)cc4C)c(O)c(O)cc3c2O)c(C)c1 |(8.37,15.86,;7.04,15.09,;5.7,15.86,;4.37,15.09,;3.04,15.86,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-3.63,1.23,;-2.3,-1.08,;-2.3,-2.62,;-.96,-3.39,;-3.63,-3.39,;-4.97,-2.62,;-6.3,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;5.7,12.78,;5.7,11.24,;7.04,13.55,)|
31809 CC(NC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NC(C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O)c1ccc(Cl)cc1 |(-7.63,-1.08,;-6.3,-.31,;-6.3,1.23,;-7.63,1.99,;-8.97,1.22,;-7.63,3.53,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.7,13.55,;4.37,13.55,;4.37,15.09,;5.7,15.86,;7.04,15.09,;8.37,15.86,;7.04,13.55,;5.7,12.78,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-4.97,-1.08,;-4.97,-2.62,;-3.63,-3.39,;-2.3,-2.62,;-.96,-3.39,;-2.3,-1.08,;-3.63,-.31,)|
31810 CC(CNC(=O)c1c(O)c(O)cc2c(O)c(c(C)cc12)-c1c(C)cc2c(C(=O)NCC(C)c3ccccc3)c(O)c(O)cc2c1O)c1ccccc1 |(5.7,12.78,;4.37,13.55,;3.04,12.78,;3.04,11.24,;1.7,10.47,;.37,11.24,;1.7,8.93,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;-3.63,5.84,;-3.63,4.3,;-2.3,3.53,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-4.97,-1.08,;-3.63,-.31,;-4.97,-2.62,;-6.3,-3.39,;-6.3,-4.93,;-4.97,-5.71,;-3.63,-4.93,;-3.63,-3.39,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;4.37,15.09,;3.04,15.86,;3.04,17.4,;4.37,18.17,;5.7,17.4,;5.7,15.86,)|
31811 Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O |(-2.3,3.53,;-3.63,4.3,;-4.97,3.53,;-6.3,4.3,;-7.63,3.53,;-7.63,1.99,;-8.97,1.22,;-6.3,1.23,;-6.3,-.31,;-7.55,-1.22,;-7.07,-2.68,;-7.84,-4.02,;-7.07,-5.35,;-5.53,-5.35,;-4.76,-4.02,;-5.53,-2.68,;-5.05,-1.22,;-8.97,4.3,;-10.3,3.53,;-8.97,5.84,;-10.3,6.62,;-7.63,6.61,;-6.3,5.84,;-4.97,6.61,;-4.97,8.15,;-3.63,5.84,;-2.3,6.62,;-2.3,8.16,;-3.63,8.93,;-.97,8.93,;.37,8.16,;1.7,8.93,;1.7,10.47,;.37,11.24,;3.04,11.24,;3.04,12.78,;1.83,13.73,;2.36,15.17,;1.65,16.54,;2.47,17.84,;4.01,17.78,;4.73,16.41,;3.9,15.11,;4.32,13.63,;3.04,8.16,;4.37,8.93,;3.04,6.62,;4.37,5.85,;1.7,5.85,;.37,6.62,;-.97,5.85,;-.97,4.31,)|
31812 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
31813 [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
31814 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(N)cc1 |r|
31815 [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccc(N)cc1 |r|
31816 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
31817 [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
31818 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(N)cc1 |r|
31819 [H][C@]1(C[C@]2([H])CCO[C@]2([H])C1)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1CCC(=O)N1)S(=O)(=O)c1ccc(N)cc1 |r|
31820 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1COC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
31821 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@@H]1COC(=O)N1)S(=O)(=O)c1ccc(N)cc1 |r|
31822 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1COC(=O)N1)S(=O)(=O)c1ccc(OC)cc1 |r|
31823 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(C[C@H]1COC(=O)N1)S(=O)(=O)c1ccc(N)cc1 |r|
31824 CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(N)c1
31825 CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(n1)-c1cccc(N)c1
31826 CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
31827 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)cc1)C(C)(C)C
31828 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(Nc2ncnc3ccc(N)cc23)cc1)C(C)(C)C
31829 CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(C)c4)C(C)(C)C)cc3)c2c1
31830 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
31831 Cc1cccc(c1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ncnc3ccc(N)cc23)c1)C(C)(C)C
31833 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1
31834 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
31835 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)NC3CC3)n2)cc1
31836 CC(=O)N1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
31837 CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1
31838 Cc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
31839 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3O)n2)cc1
31840 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(O)c3)n2)cc1
31841 Oc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
31842 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3F)n2)cc1
31843 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(F)c3)n2)cc1
31844 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(F)cc3)n2)cc1
31845 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3cccc(Cl)c3)n2)cc1
31846 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1
31847 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4)cc3)n2)cc1
31848 Oc1ccc(Nc2ncc(F)c(Nc3ccc(NC(=O)c4ccccc4F)cc3)n2)cc1
31849 Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
31850 COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1
31851 Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1
31852 Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
31853 Oc1ccc(Nc2ncc(F)c(Nc3ccc(O)cc3)n2)cc1
31854 Oc1ccc(Nc2cc(Cl)nc(Nc3ccc(O)cc3)n2)cc1
31855 Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1
31856 Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1C
31857 Oc1ccc(Nc2ccnc(Nc3ccc(O)cc3)n2)cc1
31858 Oc1ccc(Nc2ncc(Cl)c(Nc3ccc(O)cc3)n2)cc1
31859 Oc1ccc(Nc2ncc(c(Nc3ccc(O)cc3)n2)C(F)(F)F)cc1
31860 Oc1ccc(Nc2ncc(C#N)c(Nc3ccc(O)cc3)n2)cc1
31861 Cc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
31862 CCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
31863 COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
31864 COc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
31865 COc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31866 Cc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
31867 Cc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
31868 Cc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31869 NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31870 CN(C)C(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31871 CCCNC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31872 CC(C)NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31873 Oc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3)n2)cc1
31874 COc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31875 COc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
31876 COc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
31877 Cc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
31878 Cc1cccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)c1
31879 OC(=O)CCc1c[nH]c2ccccc12
31880 NC(CC(=O)c1ccccc1N)C(O)=O
31881 OC(Cc1c[nH]c2ccccc12)C(O)=O
31882 CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)c1ccc2cc(ccc2c1)C(O)=O |r|
31883 C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
31884 CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)c1ccc2cc(ccc2c1)C(O)=O |r|
31885 CC1(C)CCC(C)(C)c2cc(ccc12)C(O)c1ccc2cc(ccc2c1)C(O)=O
31886 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)c1ccc2cc(ccc2c1)C(O)=O
31887 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)\C=C\c1ccc(cc1)C(O)=O
31888 CC1(C)CCC(C)(C)c2cc(ccc12)C(O)\C=C\c1ccc(cc1)C(O)=O
31889 CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
31890 CC1(C)CCC(C)(C)c2cc(ccc12)[C@H](O)C(=O)Nc1ccc(cc1F)C(O)=O
31892 C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
31893 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
31894 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
31895 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
31896 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
31897 Clc1ccc(cc1)-c1nc2ccc(cc2c2OCCCc12)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
31898 Clc1ccc2c(NCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
31899 Clc1ccc2c(NCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
31900 Clc1ccc2c(NCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
31901 Clc1ccc2c(NCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
31902 Clc1ccc2c(NCCCCCCCCNC(=O)CCc3ccc4nc(-c5ccccc5)c5CCCOc5c4c3)c3CCCCc3nc2c1
31903 CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3CCCOc3c2c1
31904 CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
31906 COC(=O)CCc1ccc2nc(-c3ccccc3)c3CCCOc3c2c1
31907 OC(=O)CCCC(=O)NC1=CC2OCOC2C=C1 |c:17,t:9|
31908 CC(CC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC3CCN(C)CC3)c(C)c12
31909 Nc1ccn([C@H]2O[C@@H](CO)[C@H]3OP(O)(=O)O[C@@H]23)c(=O)n1 |r|
31910 Nc1ccn([C@@H]2O[C@@H]3COP(O)(=O)O[C@H]3[C@H]2O)c(=O)n1 |r|
31911 NC(=O)CSc1cc(N)nc(N)n1
31912 Nc1nnc(o1)-c1nonc1N
31913 Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]2O)c(=O)n1
31914 Nc1nc(=O)n(cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
31915 Nc1ccn(C[C@@H](CO)OCP(O)(O)=O)c(=O)n1 |r|
31916 N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
31917 Oc1c(Br)cc(\C=N\NC(=O)c2cccnc2)c(O)c1Br
31918 Oc1ccc(\C=N\NC(=O)c2cccnc2)c(O)c1
31919 Oc1c(Br)cc(\C=N\NC(=O)c2cccnc2)cc1Br
31920 Oc1ccc(\C=N\NC(=O)c2cccnc2)cc1
31921 COc1c(Br)cc(\C=N\NC(=O)c2cccnc2)c(OC)c1Br
31922 Oc1c(Br)cc(\C=N\NC(=O)c2ccccc2)c(O)c1Br
31923 Oc1c(Br)cc(\C=N\NC(=O)c2ccco2)c(O)c1Br
31924 Oc1c(Br)cc(\C=N\NC(=O)c2cccc(F)c2)c(O)c1Br
31925 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(F)cc2)c(O)c1Br
31926 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br
31927 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1Br
31928 Oc1c(Br)cc(\C=N\NC(=O)c2cccc(Br)c2)c(O)c1Br
31929 Oc1c(Br)cc(\C=N\NC(=O)c2cccs2)c(O)c1Br
31930 Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br
31931 COc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
31932 Oc1c(Br)cc(\C=N\NC(=O)c2ccncc2)c(O)c1Br
31933 CC(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
31934 CC(C)(C)c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
31935 Oc1ccc(CC(=O)N\N=C\c2cc(Br)c(O)c(Br)c2O)cc1
31936 COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O
31937 COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1cc(ccc1Cl)C(=O)OC
31938 COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1ccc(Cl)cc1
31939 COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31940 COCCN1C(=O)\C(S\C1=N\c1ccc(OC)cc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31941 COCCN1C(=O)\C(S\C1=N\c1ccc(OC)cc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O
31942 COCCN1C(=O)\C(S\C1=N\c1ccc(Br)cc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31943 COCCN1C(=O)\C(S\C1=N\c1ccccc1Br)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31944 COCCN1C(=O)\C(S\C1=N\c1cccc(Br)c1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31945 COCCN1C(=O)\C(S\C1=N\c1ccc2ccccc2c1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31946 COCCN1C(=O)\C(S\C1=N\c1ccc2ccccc2c1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O
31947 COCCN1C(=O)\C(S\C1=N\c1ccc(cc1)C(F)(F)F)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31948 COCCN1C(=O)\C(S\C1=N\c1ccccc1C(F)(F)F)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31949 COCCN1C(=O)\C(S\C1=N\c1cccc(c1)C(F)(F)F)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31950 COCCN1C(=O)\C(S\C1=N\c1ccccc1OC)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31951 COCCN1C(=O)\C(S\C1=N\c1cccc(OC)c1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31952 COCCN1C(=O)\C(S\C1=N\c1ccc(F)cc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31953 COCCN1C(=O)\C(S\C1=N\c1cccc(F)c1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31954 COCCN1C(=O)\C(S\C1=N\c1ccccc1F)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31955 COC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\S\C(=N\c3ccccc3)N(CCCN(C)C)C2=O)o1
31956 CCN(CC)CCN1C(=O)\C(S\C1=N\c1ccccc1)=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OC
31957 COC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\S\C(=N\c3ccccc3)N(CCN3CCCC3)C2=O)o1
31958 Oc1ccc(cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:11.12|
31959 Oc1ccc(cc1)-c1ccc(cc1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:17.19|
31960 Oc1c(Br)cc(C=NNC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(O)c1Br |w:6.5|
31961 Oc1c(Br)cc(C=NNC(=O)c2ccc(Oc3ccccc3)cc2)c(O)c1Br |w:6.5|
31962 Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br |w:6.5|
31963 Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br |w:6.5|
31964 Oc1c(Br)cc(C=NNC(=O)c2ccc3ccccc3c2O)c(O)c1Br |w:6.5|
31965 Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17|
31966 Oc1ccc2cc(ccc2c1)C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17|
31967 Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br |w:6.5|
31968 COc1cc(CNC(=S)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(OC)c1OC
31969 COc1ccc(\C=C\C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(OC)c1OC
31970 Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r|
31971 Clc1cccc(C[C@H](NC(=O)C2CCCCC2)C(=O)NCC#N)c1 |r|
31972 Clc1cccc(C[C@H](NC(=O)C2=CCCCC2)C(=O)NCC#N)c1 |r,t:11|
31973 Clc1cccc(C[C@H](NC(=O)C2CCCCCC2)C(=O)NCC#N)c1 |r|
31974 Cc1ccc(cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31975 Cc1cccc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31976 Cc1ccccc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31977 Clc1cccc(C[C@H](NC(=O)c2cccc(Cl)c2)C(=O)NCC#N)c1 |r|
31978 Cc1ccc(C)c(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31979 Cc1cccc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c1C |r|
31980 Cc1cc(C)cc(c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31981 Clc1cccc(C[C@H](NC(=O)c2cccc3ccccc23)C(=O)NCC#N)c1 |r|
31982 Clc1cccc(C[C@H](NC(=O)c2cccc3CCCCc23)C(=O)NCC#N)c1 |r|
31983 Clc1cccc(C[C@H](NC(=O)c2ccnc3ccccc23)C(=O)NCC#N)c1 |r|
31984 Cc1ccc2cc(C)cc(C(=O)N[C@@H](Cc3cccc(Cl)c3)C(=O)NCC#N)c2c1 |r|
31985 Cc1nn(C)cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31986 Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
31987 Cc1nc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)o1 |r|
31988 Cc1nc(C)c(s1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N |r|
31989 Cc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)c(C)s1 |r|
31990 CCc1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
31991 CC(C)c1cc(C(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)NCC#N)n(C)n1 |r|
31992 Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r|
31993 Cc1cccc(C[C@H](NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 |r|
31994 [#6]-c1cc(=O)oc2cc(-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c3ccccc3)ccc12
31995 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
31996 CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CCN(C)C |r,w:16.16,38.39,t:28|
31997 COc1ccc2c(C)n[nH]c3cccc1c23
31998 Cc1cccc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)n1
31999 CCc1ccc(cc1)-c1nnn(CCC(=O)OC)n1
32000 CC(=O)c1cccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1
32001 OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
32002 CC(OC(=O)c1cccs1)C(=O)NCc1cccs1
32003 OC(=O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc12 |t:10|
32004 O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
32005 Cc1cccc(NC(=O)Cn2nnc(n2)-c2cccs2)c1C
32006 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
32007 Cc1cc(SCC(N)=O)nc(SCC(=O)c2ccccc2)n1
32008 COc1cc(NCCCC(C)N)c2ncccc2c1
32009 [H]C12CC([H])(C=C1)C1C2C(=O)N(CNc2ccc(O)cc2)C1=O |c:5,TLB:21:7:2:5.6,THB:9:8:2:5.6|
32010 CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|
32011 Nc1nonc1N1CCCCC1
32012 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1
32013 CCOC(=O)c1cnc(SC2CCc3ccccc3C2=O)nc1N
32014 CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)nc1C
32015 O=S(=O)(NC1CCc2ccccc12)c1ccc(cc1)S(=O)(=O)N1CCCC1
32017 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
32018 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(C)=O)c3C(=O)c12)C(O)=O
32019 C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1
32020 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
32021 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
32022 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
32023 CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
32025 O=C1C=Cc2ccccc2\C1=C\NC12CN3CN(C1)CCN(C3)C2 |c:2,TLB:12:13:16:21.22.19.20,THB:23:21:13.14.18:16,23:13:16:21.22.19.20,19:17:14:21.23.22,20:21:14:17.18.16|
32026 Nc1ccc2ncccc2c1
32027 CN(C)\C=N\c1c(Br)cc(Br)c2nonc12
32028 Cc1nc(cs1)-c1c(noc1C(F)(F)F)-c1ccc(O)cc1O
32029 CCOC(=O)C1C(C(C(=O)OCC)=C(C)OC1=N)c1cccnc1 |t:12|
32030 Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
32031 COc1ccc(OC)c(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 |w:10.10|
32032 COc1cccc(c1)C(=O)NCC(=O)n1nc(C)cc1C
32033 CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
32034 CC(=O)Nc1cnc2ccccc2n1
32035 O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
32036 CC1=NC(c2ccccc2)C(C#N)(C#N)C(C1)(C#N)C#N |t:1|
32037 Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F
32038 Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCN(CC1)c1ccccc1
32039 Cc1coc2c(O)cc3C4CCCNC(=O)C4(Oc3c12)N1CCCCC1
32040 Oc1cc2C3CCCNC(=O)C3(Oc2c2ccccc12)N1CCCCC1
32041 CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1 |w:14.15|
32042 Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1 |w:6.6|
32043 CCCCCC(=O)N1CC2(C)CN(CC(C)(C1)C2=O)C(=O)CCCCC
32044 CC(C)COC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
32045 CCCc1cc(-c2n[nH]cc2-c2ccc3OCCCOc3c2)c(O)cc1O
32046 Cc1ccc(cc1)S(=O)(=O)C(CCC(=O)N1CCOCC1)S(=O)(=O)c1ccc(C)cc1
32047 Nc1ccc2ncccc2c1N
32048 C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc2OCOc2c1
32049 Nc1c(c2Nc3ccccc3Nc2n1N=CC1=CC(=O)C(=O)C=C1)S(=O)(=O)c1cccc(Cl)c1 |w:14.16,c:25,t:19|
32050 O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
32051 Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
32052 COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
32053 CC(C)CN1C(=O)NC(NC(=O)c2ccco2)(C1=O)C(F)(F)F
32054 Oc1ccc2c(occ(-c3ccc4OCCOc4c3)c2=O)c1CN1CCOCC1
32055 COc1ccc(cc1)N1C(=O)CSC11C(=O)N2CCCc3cccc1c23
32056 Cc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl
32057 COc1ccc(cc1Cl)S(=O)(=O)N(C)CC(=O)N1CCC(CC1)C(N)=O
32058 COc1ccc(cc1OC)-c1[nH]oc2c(O)n(-c3c(C)cccc3C)c(=O)c12 |(12.41,5.48,;13.44,4.33,;12.96,2.87,;11.46,2.55,;10.98,1.08,;12.01,-.06,;13.51,.26,;13.99,1.72,;15.5,2.04,;16.53,.89,;11.53,-1.53,;12.43,-2.77,;11.53,-4,;10.07,-3.54,;8.61,-4.01,;8.13,-5.48,;7.7,-2.77,;6.16,-2.77,;5.39,-1.43,;6.16,-.1,;3.85,-1.43,;3.08,-2.77,;3.85,-4.1,;5.39,-4.1,;6.16,-5.43,;8.61,-1.52,;8.13,-.05,;10.07,-2,)|
32059 COc1ccc(cc1OC)-c1[nH]oc2c(O)n(-c3ccc4OCCOc4c3)c(=O)c12
32060 Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2ccccc2c1
32061 Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
32062 CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
32063 CCOC(=O)NC1(Nc2ccc(Cl)cn2)Oc2ccccc2O1
32064 Cc1c(oc2ccc(F)cc2c1=O)-c1nn(C)c(=O)c2ccccc12
32065 CN(c1ccccc1)c1ccc(C=c2s\c(=C(\C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
32066 O=C(N1CCN(CC1)C1c2ccccc2-c2ccccc12)c1n[nH]c(=O)c2ccccc12
32067 Oc1ccc(-c2onc(c2-c2cscn2)C(F)(F)F)c(O)c1
32068 CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O |(9.6,14.75,;8.1,14.43,;7.62,12.97,;8.52,11.73,;10.06,11.73,;10.83,10.4,;12.37,10.4,;13.27,11.64,;14.74,11.17,;14.74,9.63,;15.98,8.72,;17.39,9.35,;18.64,8.44,;18.48,6.91,;17.07,6.28,;15.82,7.19,;13.27,9.15,;12.8,7.69,;13.83,6.54,;13.35,5.08,;11.85,4.76,;10.81,5.9,;11.29,7.36,;10.26,8.51,;7.62,10.49,;6.16,10.96,;4.83,10.19,;3.49,10.96,;3.49,12.5,;4.83,13.27,;6.16,12.5,;2.16,10.19,;.83,10.96,;2.16,8.65,)|
32069 C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
32070 Cc1ccc(c(C)c1)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
32071 CCOC(=O)NC1(NCc2ccccc2)Oc2ccccc2O1
32072 CCOc1cc(N2CCOCC2)c(OCC)cc1N=C1CCCCCN1 |w:18.19|
32073 C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
32074 CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
32075 C(Sc1nc2ccccc2[nH]1)c1ccc(cc1)-c1nnco1
32076 CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
32077 O=S(=O)(N1CCCC1)c1cccc(c1)-c1nnco1
32078 FC(F)(F)C1(NC(=O)NCCN2CCOCC2)Oc2ccc(Cl)cc2O1
32079 CCc1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O
32080 Cc1cc(O)cc(O)c1-c1onc(c1-c1cscn1)C(F)(F)F |(10.95,-.89,;9.62,-1.66,;9.62,-3.2,;8.28,-3.97,;8.28,-5.51,;6.95,-3.2,;6.95,-1.66,;5.41,-1.66,;8.28,-.89,;8.28,.65,;9.53,1.55,;9.05,3.02,;7.51,3.02,;7.04,1.55,;5.57,1.08,;5.1,-.39,;3.56,-.39,;3.08,1.08,;4.33,1.98,;6.61,4.26,;5.7,5.51,;7.85,5.17,;5.36,3.36,)|
32081 C(Sc1nc2ccccc2s1)c1ccc(cc1)-c1nnco1
32082 N#Cc1ccc(CSc2nnc(Nc3ccccc3)s2)cc1
32083 CCOC(=O)c1c(C)oc2c1c(C=NCC1CCCO1)c(O)c1ccccc21 |w:13.14|
32084 O=C(NCc1cccnc1)C1N(Cc2ccco2)C(=O)c2ccccc12
32085 OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
32086 CC(=O)Oc1cc2c(C(=O)NCCCN3CCOCC3)c(C)oc2c2ccccc12
32087 CC(=O)Oc1cc2c(C(=O)NCCN3CCOCC3)c(C)oc2c2ccccc12
32088 COc1ccc(OC)c(c1)-n1c(C)nc2cc(ccc12)C(O)=O |(10.08,5.5,;9.6,4.04,;10.63,2.89,;12.13,3.21,;13.16,2.06,;12.68,.6,;13.71,-.55,;15.22,-.23,;11.18,.28,;10.15,1.43,;10.7,-1.18,;11.6,-2.42,;13.14,-2.42,;10.7,-3.66,;9.24,-3.19,;7.91,-3.96,;6.57,-3.19,;6.57,-1.65,;7.91,-.88,;9.24,-1.65,;5.24,-3.96,;3.91,-3.19,;5.24,-5.5,)|
32089 CCS(=O)(=O)NCc1ccc2[nH]c3CCCCc3c2c1
32090 CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1
32091 CCCc1cc2OCOc2cc1NS(=O)(=O)c1ccc(CCNC(C)=O)cc1
32092 O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCC1CCCO1
32093 COc1ccc(cc1OC)S(=O)(=O)Nc1ccc2OCOc2c1
32094 CCOc1ccc(c2cccnc12)S(=O)(=O)Nc1ccc2OCOc2c1
32095 O=C(NCCCn1ccnc1)c1noc-2c1CCc1ccccc-21
32096 Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
32097 Nc1cccc2cnccc12
32098 Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
32099 FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccc(Cl)cc2O1
32100 O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)Nc1ccc2OCCOc2c1
32101 CCOc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c2oc(=O)sc2c1
32102 Cn1ncnc2c1nc(=O)n(C)c2=O
32103 Brc1ccc2nc(cc(C(=O)N3CCN(CC3)c3ccccn3)c2c1)-c1ccncc1
32104 CC(C)OC(=O)CSc1nc2ccccc2s1
32105 CCOc1ccc(NCC(=O)Nc2ccc(C)cc2C)cc1
32106 Clc1ccc(CS(=O)(=O)Nc2ccc3OCOc3c2)cc1
32107 COC(=O)C1=C(C)N(C(=O)C1)c1cccc2ccccc12 |c:4|
32108 COC(=O)c1ccc2N=C3CCCC(=O)C3Sc2c1 |t:8|
32109 CCOC(O)c1oc2C(=O)C(=O)C=Cc2c(=O)c1-c1nncn1-c1ccccc1 |c:12,(4.18,-6.43,;4.18,-4.89,;5.52,-4.12,;5.52,-2.58,;3.98,-2.58,;6.85,-1.81,;8.18,-2.58,;9.52,-1.81,;10.89,-2.63,;10.88,-4.17,;12.29,-1.84,;13.62,-2.61,;12.29,-.24,;10.89,.56,;9.52,-.27,;8.18,.5,;8.95,1.84,;6.85,-.27,;5.52,.5,;4.11,-.12,;3.08,1.02,;3.85,2.35,;5.36,2.03,;5.83,3.5,;4.8,4.64,;5.28,6.11,;6.78,6.43,;7.81,5.28,;7.34,3.82,)|
32110 CCc1ccc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc1
32111 OC(=O)COc1c(Cl)cccc1Cl
32112 Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)C(O)=O
32113 Oc1ccccc1C(=O)OC1CCc2ccccc2C1=O
32114 CCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
32115 Cc1ccc(CNc2ccc(O)cc2)cc1
32116 CC(NC(=O)c1ccoc1C)C(C)(C)C
32117 COc1ccc(cc1)C1CC(=O)C2C(c3ccccc3)n3ncnc3N=C2C1 |c:28|
32118 COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2ccc(OC)c(OC)c2)c(OC)c1 |c:9|
32119 CCSc1nnc-2c(OC(N(C(C)=O)c3ccccc-23)c2ccc(cc2)C(O)=O)n1
32120 COc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2ccccn2)c(C)o1
32121 O=C1N(Cc2ccc3OCOc3c2)C(Nc2ccc3OCOc3c2)c2ccccc12
32122 CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
32123 CN(C)CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1CC(O)COc1ccccc1C
32124 Cc1noc(C(=O)Nc2ccc3OCOc3c2)c1Cl
32125 CCOC(=O)N1CCC(CC1)NC(=O)CSCc1nc(oc1C)-c1sccc1C
32126 CCSCCOC(=O)C1C(NC(=O)N=C1C)c1ccccc1 |c:13|
32127 O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)C1COc2ccccc2O1
32128 COc1ccc(cc1)-n1nc2CS(=O)Cc2c1NC(=O)c1ccc(Br)cc1
32129 OCCCc1nc2N=C(CC(c3ccccc3)n2n1)c1ccccc1 |c:7|
32130 OC(=O)CCC(=O)NCc1ccc2[nH]c3CCCCc3c2c1
32131 O=C(COc1ccc(cc1)-c1ccccc1)N1CCN(CC1)C(=O)c1cccnc1
32132 Cn1cnnc1SCC(=O)c1ccc2CCCCc2c1
32133 Cc1c(N=c2c(=O)c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C |(9.99,-2.67,;11.14,-1.64,;10.98,-.11,;9.64,.66,;8.1,.66,;7.2,1.9,;7.68,3.37,;5.75,1.43,;4.41,2.2,;3.08,1.43,;3.08,-.11,;4.41,-.88,;5.75,-.11,;7.2,-.58,;7.68,-2.04,;12.38,.52,;12.7,2.03,;13.41,-.63,;14.95,-.46,;15.57,.94,;17.1,1.1,;18.01,-.14,;17.38,-1.55,;15.85,-1.71,;12.64,-1.96,;13.27,-3.37,)|
32134 CC(=O)CCc1c(C)nc2ccccc2c1O
32135 Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1
32136 CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
32137 Oc1ccc(cc1)N=Cc1ccc(O)c(O)c1 |w:7.7|
32138 CC(C)c1cc(Nc2cccc(O)c2)cc(C(C)C)c1O
32139 CS(=O)(=O)N(CC(=O)NCC=C)c1cccc(Br)c1
32140 O=c1oc2c3CCCN4CCCc(cc2s1)c34
32141 COc1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)c2ncccc2c1
32142 Nc1ccc(O)c2ncccc12
32143 Cc1ccc(cc1)S(=O)(=O)Nc1cc(O)cc2cccnc12
32144 Nc1cccc2cccnc12
32145 [O-][N+](=O)c1ccc(=O)c2ccc[nH]c12
32146 O=C1C(CNCC1=Cc1ccccn1)=Cc1ccccn1
32147 Oc1c(Cl)cc(Cl)c2cccnc12
32148 COc1cc(NC(=O)CCCCCCN)c2ncccc2c1
32149 Oc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ncccc2c1
32150 Oc1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)c2ncccc2c1
32151 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(c1)-c1c2OCOc2ccc1O |(9.24,7.7,;9.24,6.16,;10.58,5.39,;10.58,3.85,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,,;7.91,-.77,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,;6.57,-3.08,;7.91,-2.31,;6.57,-4.62,;7.91,-5.39,;9.37,-4.92,;10.26,-6.16,;9.37,-7.4,;7.91,-6.93,;6.57,-7.7,;5.24,-6.93,;5.24,-5.39,;3.91,-4.62,)|
32152 COc1cc(NCCCC(C)=O)c2nccc(OCc3ccccc3)c2c1
32153 Fc1ccc(cc1C#N)S(=O)(=O)Nc1cc(OCc2ccccc2)cc2cccnc12
32154 [O-][N+](=O)c1ccc(cc1F)S(=O)(=O)Nc1cc(OCc2ccccc2)cc2cccnc12
32155 Fc1ccc(cc1)S(=O)(=O)Nc1cc(OCc2ccccc2)cc2cccnc12
32156 COc1cc(N)c2nccc(OCc3ccccc3)c2c1
32157 COc1cc(NCCCC(C)N=O)c2nccc(OCc3ccccc3)c2c1
32158 CC(=O)CCCNc1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12
32159 CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1-c1ccccc1O |(17.81,-4.39,;17.04,-3.05,;18.37,-2.28,;15.7,-3.82,;16.27,-1.72,;14.73,-1.72,;13.96,-3.05,;13.96,-.39,;12.42,-.39,;12.42,-1.93,;11.08,-2.7,;9.75,-1.93,;9.75,-.39,;8.41,.39,;7.08,-.39,;6.31,.95,;7.85,-1.72,;5.75,-1.16,;5.75,-2.7,;4.41,-3.47,;4.41,-5.01,;3.08,-2.7,;3.08,-1.16,;4.41,-.39,;4.41,1.16,;11.08,.39,;11.08,1.93,;9.75,2.7,;9.75,4.24,;11.08,5.01,;12.42,4.24,;12.42,2.7,;13.96,2.7,)|
32160 Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1-c1ccccc1O
32161 COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N |(4.41,-4.62,;5.75,-3.85,;7.08,-4.62,;7.08,-6.16,;8.41,-6.93,;9.75,-6.16,;11.21,-6.63,;12.1,-5.39,;11.21,-4.15,;9.75,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;5.75,.77,;5.75,2.31,;4.21,2.31,;7.29,2.31,;5.75,3.85,;4.41,4.62,;4.41,6.16,;3.08,6.93,;5.75,6.93,;7.08,6.16,;7.08,4.62,;8.41,3.85,;8.41,.77,;9.75,,;9.75,-1.54,;11.29,-1.54,)|
32162 Nc1ccc(NS(=O)(=O)c2ccccc2[N+]([O-])=O)cc1-c1ccccc1O
32163 Nc1ccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1-c1ccccc1O
32164 Nc1ccc(NS(=O)(=O)c2ccccc2N)cc1-c1ccccc1O
32165 Nc1cccc(c1)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
32166 COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1N |(3.29,-5.39,;4.62,-4.62,;5.95,-5.39,;5.95,-6.93,;7.29,-7.7,;8.62,-6.93,;10.08,-7.4,;10.98,-6.16,;10.08,-4.92,;8.62,-5.39,;7.29,-4.62,;7.29,-3.08,;5.95,-2.31,;5.95,-.77,;4.62,,;4.62,1.54,;3.08,1.54,;6.16,1.54,;4.62,3.08,;3.29,3.85,;3.29,5.39,;4.62,6.16,;5.95,5.39,;5.95,3.85,;7.29,6.16,;7.29,7.7,;8.62,5.39,;7.29,,;8.62,-.77,;8.62,-2.31,;10.16,-2.31,)|
32167 COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N |(3.29,-5.39,;4.62,-4.62,;5.95,-5.39,;5.95,-6.93,;7.29,-7.7,;8.62,-6.93,;10.08,-7.4,;10.98,-6.16,;10.08,-4.92,;8.62,-5.39,;7.29,-4.62,;7.29,-3.08,;5.95,-2.31,;5.95,-.77,;4.62,,;4.62,1.54,;3.08,1.54,;6.16,1.54,;4.62,3.08,;5.95,3.85,;5.95,5.39,;4.62,6.16,;4.62,7.7,;3.29,5.39,;3.29,3.85,;7.29,,;8.62,-.77,;8.62,-2.31,;10.16,-2.31,)|
32168 Oc1ccccc1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O
32169 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
32170 COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
32171 Oc1ccccc1-c1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)ccc1O
32172 COc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2cccc(N)c2)ccc1N |(3.29,-5.1,;4.62,-4.33,;5.95,-5.1,;5.95,-6.64,;7.29,-7.41,;8.62,-6.64,;10.08,-7.11,;10.98,-5.87,;10.08,-4.63,;8.62,-5.1,;7.29,-4.33,;7.29,-2.79,;5.95,-2.02,;5.95,-.48,;4.62,.29,;4.62,1.83,;3.08,1.83,;6.16,1.83,;4.62,3.37,;3.29,4.14,;3.29,5.68,;4.62,6.45,;5.95,5.68,;7.29,6.45,;5.95,4.14,;7.29,.29,;8.62,-.48,;8.62,-2.02,;10.16,-2.02,)|
32173 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
32174 COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(N)c(c1)-c1ccccc1O
32175 CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)OC(C)(C)C |(3.08,4.46,;4.6,4.72,;5.59,3.54,;7.1,3.81,;7.1,5.35,;8.44,6.12,;9.77,5.35,;11.15,6.18,;12.54,5.38,;12.54,3.78,;11.15,2.99,;9.77,3.81,;8.44,3.04,;8.96,1.6,;10.48,1.33,;11.01,-.12,;12.52,-.39,;13.05,-1.83,;14.5,-1.31,;11.6,-2.36,;13.58,-3.28,;15.09,-3.55,;15.62,-5,;17.14,-5.26,;14.63,-6.18,;13.11,-5.91,;12.59,-4.46,;11.07,-4.19,;10.02,-1.3,;8.5,-1.03,;7.97,.42,;6.46,.68,;5.47,-.5,;3.95,-.23,;5.99,-1.94,;5,-3.12,;4.01,-4.3,;6.18,-4.11,;3.82,-2.13,)|
32176 CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1N |(3.08,5.93,;4.62,5.93,;5.39,4.59,;6.93,4.59,;6.93,6.13,;8.26,6.9,;9.6,6.13,;10.97,6.96,;12.37,6.17,;12.37,4.56,;10.97,3.77,;9.6,4.59,;8.26,3.82,;8.26,2.28,;9.6,1.51,;9.6,-.03,;10.93,-.8,;10.93,-2.34,;12.47,-2.34,;9.39,-2.34,;10.93,-3.88,;12.26,-4.65,;12.26,-6.19,;13.6,-6.96,;10.93,-6.96,;9.6,-6.19,;9.6,-4.65,;8.26,-3.88,;8.26,-.8,;6.93,-.03,;6.93,1.51,;5.39,1.51,)|
32177 CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1N |(3.08,6.7,;4.62,6.7,;5.39,5.36,;6.93,5.36,;6.93,6.9,;8.26,7.67,;9.6,6.9,;10.97,7.73,;12.37,6.94,;12.37,5.33,;10.97,4.54,;9.6,5.36,;8.26,4.59,;8.26,3.05,;9.6,2.28,;9.6,.74,;10.93,-.03,;10.93,-1.57,;12.47,-1.57,;9.39,-1.57,;10.93,-3.11,;9.6,-3.88,;9.6,-5.42,;10.93,-6.19,;10.93,-7.73,;12.26,-5.42,;12.26,-3.88,;8.26,-.03,;6.93,.74,;6.93,2.28,;5.39,2.28,)|
32178 CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1N |(3.08,7.08,;4.62,7.08,;5.39,5.75,;6.93,5.75,;6.93,7.29,;8.26,8.06,;9.6,7.29,;10.97,8.11,;12.37,7.32,;12.37,5.72,;10.97,4.93,;9.6,5.75,;8.26,4.98,;8.26,3.44,;9.6,2.67,;9.6,1.13,;10.93,.36,;10.93,-1.18,;12.47,-1.18,;9.39,-1.18,;10.93,-2.72,;12.26,-3.49,;12.26,-5.03,;10.93,-5.8,;10.93,-7.34,;12.26,-8.11,;9.6,-5.03,;8.26,-5.8,;8.26,-7.34,;9.6,-3.49,;8.26,.36,;6.93,1.13,;6.93,2.67,;5.39,2.67,)|
32179 Nc1cccc(c1)S(=O)(=O)Nc1ccc(O)c(c1)-c1ccccc1O
32180 NCc1cc(ccc1F)S(=O)(=O)Nc1cc(O)cc2cccnc12
32181 COc1ccc(NS(=O)(=O)c2ccccc2)c(OC)c1
32182 Nc1ccc(NS(=O)(=O)c2ccccc2)c(O)c1
32183 Oc1cc(ccc1NS(=O)(=O)c1ccccc1)[N+]([O-])=O
32184 Oc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1
32185 COc1cc(ccc1O)C1CC(N=N1)c1ccccc1O |c:13|
32186 COc1ccc(cc1OC)C1CC(N=N1)c1ccccc1O |c:14|
32187 CC(CC(F)(F)F)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCCN3CCCC3)c(C)c12
32188 Oc1c(I)cc(Cl)c2cccnc12
32189 Cc1cc(=O)oc2c(N)c(O)ccc12
32190 Cc1cc(=O)oc2c(N)c(OCc3ccccc3)ccc12
32191 COc1cc(N)c2nccc(Cl)c2c1
32192 COc1cc(NCCCC(C)=O)c2nccc(Cl)c2c1
32193 COc1cc(NCCCC(C)N)c2nccc(Cl)c2c1
32194 Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,6.93,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)|
32195 Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,5.39,;11.91,7.7,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)|
32196 Oc1cc(O)c2ncccc2c1
32197 Nc1cc(Br)cc2cccnc12
32198 NNc1ccc2c(Cl)cc(Cl)c(O)c2n1
32199 Nc1cccc2cc(O)ccc12
32200 CCN(CC)CCCCCNc1cc(O)cc2cccnc12
32201 CC(C)NCCCC(C)Nc1cc(O)cc2cccnc12
32202 CC(CCN(C)C)Nc1cc(O)cc2cccnc12
32203 Oc1cccc2cccnc12
32204 CCN(CC)CC(O)c1ccnc2c(O)cccc12
32205 Nc1cc(Cl)cc2cccnc12
32206 CNC(=O)c1n(nc2cc(N(CCCC(=O)OC)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Br)cc1
32207 Oc1cc([N+]([O-])=O)c2ncccc2c1
32209 Cc1[nH]c2c(N)cccc2c1C
32210 Nc1ccc2[nH]ccc2c1
32211 CCOC(=O)c1c(C)[nH]c2ccc(O)cc12
32212 Oc1ccc2[nH]ccc2c1
32213 CCOC(=O)Cc1c[nH]c2ccc(N)cc12
32214 Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O
32215 Nc1ccc(Cc2ccccc2)c(O)c1
32216 Nc1ccc(CSc2ccc(Cl)cc2)c(O)c1
32217 Nc1ccc(Nc2nc3ccccc3s2)c(O)c1
32218 Cc1ccc(OC(=O)c2ccc(N)cc2O)cc1
32219 NCCCCCNc1cc(O)cc2cccnc12
32220 CC(C)NCCCCCNc1cc(O)cc2cccnc12
32221 Nc1cc(N)c2cccnc2c1O
32222 CNC(=O)c1n(nc2cc(N(CCCNC(=O)C3CCOC3)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(Nc2ccc(F)cc2)cc1
32223 Nc1cc2ccccc2c(O)c1O
32224 Nc1cc(O)c2[nH]nnc2n1
32225 O=C1C(C(=O)c2ccccc12)c1cnc2ccccc2n1
32226 O=C1C(C(=O)c2ccccc12)c1cnc2C=CCCc2n1 |c:17|
32227 O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1
32228 [O-][N+](=O)c1ccc2[nH]c(=O)[c-](C3=[NH+]c4ccccc4C3=O)c2c1 |t:11|
32229 O=C1C(C(=O)c2ccccc12)c1nc2ccccc2s1
32230 OC1(O)c2ccccc2C(=O)C1(O)C1(O)C(=O)c2ccccc2C1(O)O
32232 Oc1ccc(C(=O)COc2ccccc2Cl)c(O)c1
32233 Cc1nnc(SCC(=O)c2ccc(O)cc2O)[nH]1
32234 Nc1cc(N)nc(SCC(=O)Nc2nncs2)n1
32235 Cc1nnc(NC(=O)CSc2nc(N)cc(N)n2)s1
32236 CCc1nnc(SCC(=O)c2ccc(O)cc2O)[nH]1
32237 CCc1cc(C(=O)Cc2cscn2)c(O)cc1O
32238 CCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O
32239 Nc1nonc1NC(=O)CSc1nc(N)cc(N)n1
32240 Nc1cc(N)nc(SCCOc2ccccc2F)n1
32241 COc1ccc(cc1)C(=O)c1c(C)n(C)c(=O)n(C)c1=O
32242 Nc1cc(=O)[nH]c(SCC(=O)c2ccc3OCOc3c2)n1
32243 OCCCNc1cc(=O)oc2ccccc12
32244 CCCC(C)C(=O)Nc1cc(OC)ccc1OC
32245 CC1(C)CC(=O)c2c(O)cc(O)cc2O1
32246 O=c1[nH]c(-c2ccco2)c(C#N)c(=O)[nH]1
32247 Cn1c2nc(Oc3ccc4OCOc4c3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
32248 Cn1c(NCc2ccc3OCOc3c2)nc2n(C)c(=O)n(C)c(=O)c12
32249 Cn1c2nc(CN3CCc4ccccc4C3)n(CCCO)c2c(=O)n(C)c1=O
32250 O=C1N(Cc2ccc3OCOc3c2)C(=O)c2ncccc12
32251 O=C1N(Cc2ccc3OCOc3c2)C(=O)c2ccccc12
32252 CCc1cc(C(=O)Cn2cnc3ccccc23)c(O)cc1O
32253 Nc1cc(=O)[nH]c2nnc(SCC#N)n12
32254 COC(=O)c1cc(=O)[nH]c2ccc(C)cc12
32255 COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1
32256 CCC(C)NCCNc1cc(OC)cc2cccnc12
32257 COc1cc(NCC(O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1
32258 CCCC(C)N(CC)CCNc1cc(OC)cc2cccnc12
32259 Cc1nc2sccn2c1-c1csc(Nc2cc(C)ccn2)n1
32260 CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccn1 |t:10|
32261 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1cccnc1
32262 CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
32263 Cc1cc(n[nH]1)-c1nnc2SCC(=Nn12)c1ccc(cc1)-c1ccccc1 |c:13|
32264 C1CCCN(CC1)c1nc(nc2ccccc12)-c1ccccn1
32265 CCOCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
32266 COc1ccc(CCNC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1OC
32267 COCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
32268 COCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
32269 C1Sc2nnc(-c3cccnc3)n2N=C1c1cccs1 |c:15|
32270 COc1cc2nc(=S)[nH]c(NCC3CCCO3)c2cc1OC
32271 NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
32272 CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
32273 Cc1cc2-c3ccc(C)n3CCn2c1
32274 CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O |c:8,t:26|
32275 Clc1nc(NCc2cccnc2)nc(n1)N1CCOCC1
32276 CCCCNc1[nH]c(=S)nc2cc(OC)c(OC)cc12
32277 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1 |w:9.9|
32278 N(c1ccccc1)c1cccc(Nc2ccccc2)n1
32279 CCOC(=O)c1ccc(Nc2nc(nc3ccccc23)C(=O)OCC)cc1
32280 CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
32281 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1 |t:11|
32282 CCOCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
32283 COCCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
32284 COc1cccc(CN=Nc2nn3cnnc3c3ccccc23)c1O |w:9.9|
32285 COc1cc(CN=Nc2nn3cnnc3c3ccccc23)ccc1O |w:7.7|
32286 CCOC(=O)c1nc(Nc2ccc(cc2)C(=O)OC)c2ccccc2n1
32287 Clc1ccccc1-c1ccc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)o1
32288 CN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
32289 O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12
32290 CCOc1ccccc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(13.76,-.07,;12.9,1.21,;11.36,1.09,;10.49,2.36,;11.16,3.75,;10.29,5.02,;8.76,4.91,;8.09,3.52,;8.96,2.25,;8.29,.86,;9.25,-.34,;10.75,-0,;8.91,-1.84,;10.25,-2.73,;10.14,-4.33,;8.69,-5.02,;7.38,-4.11,;7.52,-2.51,;6.13,-1.84,;4.97,-2.95,;3.44,-2.49,;3.08,-.93,;4.26,.15,;5.79,-.34,;6.75,.86,;6.08,2.25,)|
32291 CN(N=Cc1cccnc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
32292 [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cncc(Br)c2)o1
32293 Oc1cccn2c1nc(=O)c1c2c2ccccc2[nH]c1=O
32294 CN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:13|
32295 CCN1C(=S)S\C(=C/C=C2\C=CN(CC)c3ccccc23)C1=O |c:10|
32296 Cc1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(C)cc1
32297 COc1cc(C=NNC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O |w:6.6|
32298 Cc1ccc(cc1)-c1ccc(\C=C\C(=O)c2ccccc2)o1
32299 CC\C(=C/c1sc2ccc(OC)cc2[n+]1CCO)\C=C1/Sc2ccc(OC)cc2N1CCO
32300 Cc1nc2ncccn2c1-c1csc(Nc2ccccc2)n1
32301 OCCN(N=C\C=C\c1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:15|
32302 Clc1nc2ccccc2cc1CN=Nc1nc2ccccc2[nH]1 |w:13.15|
32303 Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
32304 COc1ccc(OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(8.56,6.3,;7.89,4.91,;8.76,3.64,;10.29,3.75,;11.16,2.48,;10.49,1.09,;11.36,-.18,;12.9,-.07,;8.96,.98,;8.09,2.25,;8.29,-.41,;9.25,-1.62,;10.75,-1.27,;8.91,-3.12,;10.25,-4,;10.14,-5.6,;8.69,-6.3,;7.38,-5.38,;7.52,-3.78,;6.13,-3.12,;4.97,-4.23,;3.44,-3.76,;3.08,-2.2,;4.26,-1.12,;5.79,-1.62,;6.75,-.41,;6.08,.98,)|
32305 Cc1ccc(OCc2cn3cccnc3n2)cc1
32306 Cc1cc(OCc2cn3cccnc3n2)ccc1Cl
32307 Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)n1
32308 O=C(\C=C/c1ccc(o1)-c1ccccc1)c1ccccc1
32309 COc1ccc(c(OC)c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(10.09,6.35,;10.96,5.08,;10.29,3.69,;8.76,3.58,;8.09,2.19,;8.96,.92,;10.49,1.03,;11.36,-.24,;12.9,-.12,;11.16,2.42,;8.29,-.47,;9.25,-1.67,;10.75,-1.33,;8.91,-3.17,;10.25,-4.06,;10.14,-5.66,;8.69,-6.35,;7.38,-5.44,;7.52,-3.84,;6.13,-3.17,;4.97,-4.28,;3.44,-3.82,;3.08,-2.26,;4.26,-1.18,;5.79,-1.67,;6.75,-.47,;6.08,.92,)|
32310 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)NCC1CCCO1
32311 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NC1CC1
32312 COc1cc(\C=C2/CC\C(=C/c3cc(OC)c(O)c(OC)c3)C2=O)cc(OC)c1O
32313 Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
32314 OCCN1CCN(CCCc2c3CCCc3cc3CCCc23)CC1
32315 CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
32316 CCOC(=O)c1c2-c3ccccc3C(=O)c3c(Cl)ccc([nH]c1=O)c23
32317 COc1cccc2c(SCC(=O)NN=Cc3ccc(O)cc3O)cc(C)nc12 |w:13.12|
32318 Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
32319 Cc1ccc(cc1)-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
32320 O=C1c2ccccc2-c2onc3ccc(N4CCCC4)c1c23
32321 O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1nccs1
32322 O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1nccs1
32323 Cc1nnc2ccc(nn12)-c1cccc(NC(=O)c2ccco2)c1
32324 COc1ccc(C)cc1-n1c(=O)c2ccccc2c2ccccc2c1=O |(12.9,.63,;11.36,.51,;10.49,1.79,;11.16,3.17,;10.29,4.44,;8.76,4.33,;7.89,5.6,;8.09,2.94,;8.96,1.67,;8.29,.28,;9.25,-.92,;10.75,-.58,;8.91,-2.42,;10.25,-3.31,;10.14,-4.91,;8.69,-5.6,;7.38,-4.69,;7.52,-3.09,;6.13,-2.42,;4.97,-3.53,;3.44,-3.07,;3.08,-1.51,;4.26,-.43,;5.79,-.92,;6.75,.28,;6.08,1.67,)|
32325 Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1
32326 COc1cc2nc(=S)n(CCc3ccccc3)c(N)c2cc1OC
32327 COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC
32328 COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
32329 CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
32330 Cc1csc(n1)C(C#N)=C1C(=O)Nc2ccc(F)cc12 |w:9.20|
32331 O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1
32333 Cc1cc(NCCCN)nc(n1)-c1ccccc1O
32334 Oc1ccc2oc3c(CCCNC3=O)c2c1
32335 CCC(=O)Nc1c2CSCc2nn1-c1ccccc1C
32336 CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1
32337 [H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|
32338 NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
32339 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
32340 CCc1n[nH]c2cccc3c(OC)ccc1c23
32341 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
32342 Nc1nc2ccc(c(N)c2s1)[N+]([O-])=O
32343 Clc1cncc(Cl)c1N=NCc1ccncc1 |w:8.8|
32344 [O-][N+](=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
32345 Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
32346 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C(=O)OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
32347 CSc1ccccc1C(=O)NCc1ccc(F)cc1
32348 CC1Cc2ccccc2N1c1ncnc(N)c1[N+]([O-])=O
32349 Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C(=O)NCC2CCCO2)c2ccncc2)no1
32350 O=C(Nc1ccccc1C(=O)N1CCCC1)C1COc2ccccc2O1
32351 O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1
32352 CCOC(=O)c1sc(=NC(=O)CCS(=O)(=O)c2ccccc2)n(C)c1C |w:8.8|
32353 Clc1ccc(Cl)c(c1)N1CSCC1=O
32354 OC(=O)c1cc(c[nH]1)C(=O)C1CCCCC1
32355 COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NC2CCCC2)cc1
32356 Cc1c(C#N)c(N)nc(Cl)c1C#N
32357 COc1ccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1
32358 Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
32359 O=C(CSc1ccncc1)Nc1ccc2ccccc2c1
32360 CC(N=Nc1ncc(Cl)cc1Cl)c1ccccn1 |w:3.3|
32361 CCCc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1
32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
32369 O[C@@H]1[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]([C@@H]1O)n1cnc2c(NCCCCCCNC(=O)c3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Cc4cc(O)ccc34)ncnc12 |r|
32370 Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
32371 CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
32372 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r|
32373 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
32374 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4OCOc4c3)nc12 |r|
32375 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
32376 COC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(NCc2ccc(Cl)c(Cl)c2)nc2c(N)ncnc12 |r|
32377 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
32378 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
32379 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r|
32380 Nc1ncnc2n([C@@H]3O[C@H](COCc4cc(F)c(F)c(F)c4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r|
32381 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
32382 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C(F)(F)F)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
32383 Nc1ncnc2n([C@@H]3O[C@H](COCc4cc(F)c(F)c(F)c4)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12 |r|
32384 O=S(=O)(N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
32385 O=S(=O)(N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
32386 O=S(=O)(N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
32387 Nc1ccc(cc1)S(=O)(=O)N(CCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1
32388 Nc1ccc(cc1)S(=O)(=O)N(CCCNCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1
32389 Nc1ccc(cc1)S(=O)(=O)N(CCCNCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1)Cc1ccccc1
32390 CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
32391 CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
32392 O=C(Cc1ccccc1)N(CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1
32393 O=C(Cc1ccccc1)N(CCCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1
32394 O=C(Cc1ccccc1)N(CCCNCCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1
32395 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C1CCCCC1 |r|
32396 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C1CCCCC1 |r|
32397 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc(C)c(C)o2)cc1)C1CCCCC1 |r|
32398 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2ccc(C)o2)cc1)C1CCCCC1 |r|
32399 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2ccn(C)n2)cc1)C1CCCCC1 |r|
32400 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cnn(C)c2)cc1)C1CCCCC1 |r|
32401 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cc(C)n[nH]2)cc1)C1CCCCC1 |r|
32402 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(=O)c2cccc(C)n2)cc1)C1CCCCC1 |r|
32403 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Cl)cn1)C1CCCCC1 |r|
32404 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NC(C)=O)cc1)C1CCCCC1 |r|
32405 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1)C(=O)NC)C1CCCCC1 |r|
32406 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1 |r|
32407 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(cc1)S(=O)(=O)NC)C1CCCCC1 |r|
32408 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(C)cc1)C1CCCCC1 |r|
32409 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(Oc2ccccc2)cc1)C1CCCCC1 |r|
32410 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OC)cc1)C1CCCCC1 |r|
32411 CCOc1ccc(nc1)-c1ccc(o1)C(=O)N[C@@H](C1CCCCC1)C(=O)NC |r|
32412 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc3ccccc3o2)cn1)C1CCCCC1 |r|
32413 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cccc(C)n2)cn1)C1CCCCC1 |r|
32414 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2ccn[nH]2)cn1)C1CCCCC1 |r|
32415 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2ccn(C)n2)cn1)C1CCCCC1 |r|
32416 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n[nH]2)cn1)C1CCCCC1 |r|
32417 CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(OCc2cc(C)n(C)n2)cn1)C1CCCCC1 |r|
32418 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)N(C)C
32419 COCCNc1cc2c(cnc3cc(OCCOC)c(OC)cc23)c(N)n1
32420 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)N1CCCC1
32421 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)N1CCC(O)CC1
32422 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1ccnc1
32423 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1cnc(C)c1
32424 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1cnc(c1)-c1ccccc1
32425 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-n1ccnc1
32426 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1ccoc1
32427 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncn1C
32428 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1ccccn1
32429 COc1cc2c(cc1OCC1CCN(C)CC1)ncc1c(N)nc(cc21)-c1ccncc1
32430 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cccnc1
32431 CCOc1cc2ncc3c(N)nc(cc3c2cc1OCC)-c1cccnc1
32432 COc1cc2c(cc1OCc1ccccc1)ncc1c(N)nc(cc21)-c1cccnc1
32433 COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cccnc1
32434 COc1cc2c(cc1OCCCN1CCCCC1)ncc1c(N)nc(cc21)-c1cccnc1
32435 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(N)c1
32436 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(O)c1
32437 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Br)c1
32438 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cccnc1C
32439 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1ccc(N)nc1
32440 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2)c1
32441 COc1ccccc1Nc1cncc(c1)-c1cc2c(cnc3cc(OC)c(OC)cc23)c(N)n1
32442 COc1cccc(Nc2cncc(c2)-c2cc3c(cnc4cc(OC)c(OC)cc34)c(N)n2)c1
32443 COc1ccc(Nc2cncc(c2)-c2cc3c(cnc4cc(OC)c(OC)cc34)c(N)n2)cc1
32444 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2CO)c1
32445 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2cccc(CO)c2)c1
32446 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccc(CO)cc2)c1
32447 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2CCO)c1
32448 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccc(CCO)cc2)c1
32449 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2N)c1
32450 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2F)c1
32451 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2Nc2ccccc2)c1
32452 COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(Nc2ccccc2OCc2ccccc2)c1
32453 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCNCC1
32454 CN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32455 CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32456 CCCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32457 CC(C)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32458 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1
32459 CC(=C)CN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32460 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1
32461 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)C1CC1
32462 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccco2)CC1
32463 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(Cc2ccccc2)CC1
32464 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CCc2ccccc2)CC1
32465 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC1)c1ccccn1
32466 CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32467 FC(F)(F)C(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32468 CC(C)(C)OC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
32469 Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1
32470 Fc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1
32471 Brc1ccc(o1)C(=O)Nc1cccc(Br)c1N1CCN(CC=C)CC1
32472 FC(F)(F)c1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC=C)CC1
32473 Brc1ccc(o1)C(=O)Nc1cccc(-c2ccccc2)c1N1CCN(CC=C)CC1
32474 Brc1ccc(o1)C(=O)Nc1cccc(Nc2ccccc2)c1N1CCN(CC=C)CC1
32476 Clc1cccc(NC(=O)c2cnc(Br)s2)c1N1CCN(CC=C)CC1
32477 Clc1cccc(NC(=O)c2nc(Br)cs2)c1N1CCN(CC=C)CC1
32478 Clc1cccc(NC(=O)c2cscn2)c1N1CCN(CC=C)CC1
32479 Clc1cccc(NC(=O)c2ccno2)c1N1CCN(CC=C)CC1
32480 Clc1cccc(NC(=O)c2ccc[nH]2)c1N1CCN(CC=C)CC1
32481 Cc1nc(cs1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1
32482 Clc1cccc(NC(=O)c2cccc(Br)n2)c1N1CCN(CC=C)CC1
32483 Cc1cccc(n1)C(=O)Nc1cccc(Cl)c1N1CCN(CC=C)CC1
32484 Clc1cccc(NC(=O)c2cccc(Br)c2)c1N1CCN(CC=C)CC1
32485 Clc1cccc(NC(=O)c2ncccn2)c1N1CCN(CC=C)CC1
32486 Clc1cccc(NC(=O)c2ccc(cn2)C#N)c1N1CCN(CC=C)CC1
32487 Cc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCC2(CC1)OCCO2
32488 Cc1cccc(NC(=O)c2ccc(Cl)o2)c1N1CCC2(CC1)OCCO2
32489 Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2
32490 Cc1cccc(NC(=O)c2ccc(o2)C#N)c1N1CCC2(CC1)OCCO2
32491 Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
32492 Cc1cccc(NC(=O)c2ccc(o2)C(F)F)c1N1CCC2(CC1)OCCO2
32493 CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
32494 CC#Cc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
32495 Cc1cccc(NC(=O)c2ccc(Cc3ccccc3)o2)c1N1CCC2(CC1)OCCO2
32496 COc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
32497 CC(=O)Nc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
32498 Cc1cccc(NC(=O)c2ccc(Nc3ccccc3)o2)c1N1CCC2(CC1)OCCO2
32499 CC1CCN(CC1)C(=O)c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1
32500 CC1CCN(CC1)C(=O)c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1
32501 CC1CCN(CC1)C(=O)c1ccnc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1
32502 CC1CCN(CC1)C(=O)c1cc(CS(=O)(=O)c2c(Cl)cccc2Cl)ccn1
32503 CC1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)nc1
32504 CC1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)cn1
32505 Clc1cccc(Cl)c1S(=O)(=O)Cc1cncc(c1)C(=O)N1CCCC1
32506 Clc1cccc(Cl)c1S(=O)(=O)Cc1cncc(c1)C(=O)N1CCCCCC1
32507 Clc1cccc(Cl)c1S(=O)(=O)Cc1cncc(c1)C(=O)N1CCCCCCC1
32508 Clc1cccc(Cl)c1S(=O)(=O)Cc1cncc(c1)C(=O)N1CCCCCCCC1
32509 Clc1cccc(Cl)c1S(=O)(=O)Cc1cncc(c1)C(=O)N1CCCCC1
32510 NC(=O)C1CCN(CC1)C(=O)c1cncc(CS(=O)(=O)c2c(Cl)cccc2Cl)c1
32511 Clc1cccc(Cl)c1S(=O)(=O)Cc1cncc(c1)C(=O)N1CCOCC1
32512 CC1CCN(CC1)C(=O)c1cccc(CSc2c(Cl)cccc2Cl)n1
32513 CC1CCN(CC1)C(=O)c1cccc(COc2c(Cl)cccc2Cl)n1
32514 CC1CCN(CC1)C(=O)c1cccc(Sc2ccccc2Cl)n1
32515 CC1CCN(CC1)C(=O)c1cccc(Oc2ccccc2Cl)n1
32516 CC1CCN(CC1)C(=O)c1cccc(Nc2ccccc2Cl)n1
32517 CC1CCN(CC1)C(=O)c1cccc(n1)S(=O)(=O)c1ccccc1Cl
32518 CC1CCN(CC1)C(=O)c1cccc(n1)-c1ccccc1Cl
32519 CC1(C)CCCN(C1)C(=O)c1cccc(n1)-c1ccccc1Cl
32520 CC1(C)CCCN(C1)C(=O)c1cccc(n1)-c1ccc(Cl)cc1
32521 CC1(C)CCCN(C1)C(=O)c1cccc(n1)-c1ccc(OC(F)(F)F)cc1
32522 Cc1ccc(cc1F)-c1cccc(n1)C(=O)N1CCCC(C)(C)C1
32523 [O-][N+](=O)c1ccccc1-c1cccc(n1)C(=O)N1CCCC2CCCCC12
32524 FC(F)(F)c1ccc(cc1)-c1cccc(n1)C(=O)N1CCCC2CCCCC12
32525 O=C(N1CCCC2CCCCC12)c1cccc(n1)-c1ccccc1-c1ccccc1
32526 Clc1cccc(Cl)c1OCc1cncc(c1)C(=O)N1CCCCC1c1cccnc1
32527 [H][C@]12C[C@](C)(CN1C(=O)c1cncc(COc3c(Cl)cccc3Cl)c1)CC(C)(C)C2 |r|
32528 CC1(C)CCCN(C1)C(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)n1
32529 Clc1cccc(Cl)c1OCc1cccc(n1)C(=O)N1CCCC2CCCCC12
32530 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccccc1
32531 FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)c1ccccc1
32532 FC(F)(F)c1cccnc1N1CCN(CC1)C(=O)Nc1ccccc1
32533 FC(F)(F)c1cccnc1N1CCN(Cc2ccccc2)CC1
32534 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1
32535 CCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32536 CCCc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32537 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32538 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32539 Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32540 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
32541 FC(F)(F)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32542 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32543 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32544 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N
32545 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
32546 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
32547 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc2ccccc12
32548 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1cccc(Cl)c1
32549 FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32550 FC(F)(F)c1cccnc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1Cl
32551 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccn1
32552 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C
32553 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1Cl
32554 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1[N+]([O-])=O
32555 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C#N
32556 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1C(F)(F)F
32557 Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
32558 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1Cl
32559 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1F
32560 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccccc1[N+]([O-])=O
32561 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
32562 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
32563 Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
32564 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
32565 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
32566 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1ncccc1C(F)(F)F
32567 CC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
32568 CCC1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
32569 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC1(C)C)c1ncccc1C(F)(F)F
32570 CC1CN(CC(C)N1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F
32571 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F |r|
32572 C[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccc1C(F)(F)F |r|
32573 C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r|
32574 C[C@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)[N+]([O-])=O |r|
32575 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C(F)(F)F
32576 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r|
32577 CN[C@H](C)C(=O)N[C@H](C1CCOCC1)C(=O)N1CCC[C@@H]1c1nc2c(nccc2s1)-c1ccccc1Cl |r|
32578 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1cc(C)nn1-c1ccccc1 |r|
32579 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r|
32580 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1-c1ncccn1 |r|
32581 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32582 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32583 CC[C@H](N)C(=O)N[C@H]1[C@@H](CN=[N+]=[N-])CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32584 CC[C@H](N)C(=O)N[C@H]1[C@@H](COC(C)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32585 CC[C@H](N)C(=O)N[C@H]1[C@@H](COC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32586 CC[C@H](N)C(=O)N[C@H]1[C@@H](Cn2cc(nn2)[C@H](O)CC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32587 [#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-[#6@H]-2-[#6]-[#6]-[#6@H](-[#7]-2-[#6]-1=O)-[#6](=O)-[#7]-[#6](-c1ccccc1)-c1ccccc1 |r|
32588 CCNC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32589 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32590 CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(C)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32591 CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)Cc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32592 CC[C@H](N)C(=O)N[C@H]1[C@@H](CN(CC)CC)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32593 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32594 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(C)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32595 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32596 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNS(C)(=O)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32597 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNS(=O)(=O)c2ccc(C)cc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32598 CCNC(=O)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32599 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=O)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32600 CCNC(=S)NC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@@H](N)CC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32601 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(=S)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32602 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(N)=O)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32603 CC[C@H](N)C(=O)N[C@H]1[C@@H](CNC(N)=S)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32604 CC[C@H](N)C(=O)N[C@H]1[C@@H](CC#N)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32605 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32606 CC[C@H](N)C(=O)N[C@H]1[C@@H](CCO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32607 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CCO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32609 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)c2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32611 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNC(=O)NCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32613 CCNC[C@H]1CC[C@H]2CC[C@H](N2C(=O)[C@H]1NC(=O)[C@H](CC)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32615 CC[C@H](NC)C(=O)N[C@H]1[C@@H](CNCc2ccccc2)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
32616 C[C@H](N)C(=O)N[C@@H](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1cccc(c1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:99.105,95.102,6.5,25.25,38.39,42.42,wD:1.1,29.30,53.54,(4.35,5.14,;4.35,3.6,;5.69,2.83,;3.02,2.83,;3.02,1.29,;1.69,3.6,;.35,2.83,;.35,1.29,;1.69,.52,;1.69,-1.02,;3.02,-1.79,;3.02,-3.33,;4.35,-4.1,;5.69,-3.33,;4.35,-5.64,;5.69,-6.41,;5.69,-7.95,;7.02,-8.72,;7.02,-10.26,;5.69,-11.03,;8.35,-11.03,;8.35,-12.57,;9.69,-13.34,;9.69,-14.88,;11.02,-15.65,;11.02,-17.19,;9.69,-17.96,;8.35,-17.19,;8.35,-15.65,;7.02,-17.96,;7.02,-19.5,;5.69,-17.19,;12.35,-17.96,;12.35,-19.5,;13.69,-17.19,;13.52,-15.66,;14.93,-15.03,;15.96,-16.17,;15.2,-17.5,;15.83,-18.91,;14.93,-20.16,;17.36,-19.06,;18.26,-17.81,;17.63,-16.41,;18.53,-15.16,;18,-13.72,;18.98,-12.53,;20.5,-12.79,;21.03,-14.24,;20.05,-15.42,;19.79,-17.97,;20.42,-19.38,;20.69,-16.72,;22.23,-16.72,;23,-18.06,;24.54,-18.06,;25.31,-19.39,;26.85,-19.39,;27.62,-20.72,;29.16,-20.72,;29.93,-19.39,;29.93,-22.06,;31.27,-21.29,;32.6,-22.06,;32.6,-23.6,;31.27,-24.37,;29.93,-23.6,;28.6,-24.37,;28.4,-25.89,;27.51,-23.28,;32.04,-25.7,;33.56,-25.5,;34.15,-24.07,;35.68,-23.87,;36.62,-25.09,;38.14,-24.88,;36.03,-26.51,;34.5,-26.72,;33.92,-28.14,;32.39,-28.34,;31.8,-29.77,;30.28,-29.97,;29.69,-31.4,;29.34,-28.75,;29.92,-27.33,;31.45,-27.12,;23,-15.39,;24.54,-15.39,;22.23,-14.05,;-.98,3.6,;-.98,5.14,;-2.32,2.83,;-2.49,1.3,;-4,1,;-4.76,2.34,;-3.72,3.47,;-4.12,4.96,;-2.78,5.73,;-5.45,5.73,;-6.78,4.96,;-6.78,3.42,;-8.12,2.65,;-9.56,3.18,;-10.74,2.19,;-10.48,.67,;-9.03,.14,;-7.85,1.13,;-8.12,5.73,;-9.45,4.96,;-8.12,7.27,)|
32617 CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(OC)c(Br)c1
32618 CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(O)=O)[C@@H]4C)c4c(C(=O)OC)c(O)c5c(C)c(cc1[nH]2)nc45)c(C)c3C=C
32619 CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(OC)c(Br)c1
32620 CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)c(Br)c1
32621 CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)c(Br)c1
32622 CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)cc1
32623 CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(O)cc1
32624 CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(O)c(Br)c1
32625 Oc1ccc(C=CNC(=O)C(=O)Cc2cccc(O)c2C#N)cc1 |w:5.4|
32626 CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)cc1
32628 [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)|
32629 Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)nc12
32630 Cn1ncc2c(NCCc3ccccc3)nc(Cl)nc12
32631 CC1C2C(OC11CCC(C)CO1)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21C
32632 [#8]-[#6](=O)-c1ccc(\[#6]=[#7]\[#7]=[#6]-2/c3ccccc3-c3ccccc-23)cc1
32633 COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC
32634 Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc2ccccc2c1 |w:15.16|
32635 Cc1ccc(NC(=[OH+])c2cc3ccccc3cc2O)c(C)c1
32636 NN=C1C(OC(=O)Nc2cccc(Cl)c2)=Nc2ccccc12 |w:1.0,c:15|
32637 Cc1cc(=O)[nH]c2cc3oc4ccccc4c3cc12
32638 CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
32639 Nc1ncc(o1)C(=O)c1cccc(Br)c1
32640 CCCCN(Cc1ccccc1)C(=O)c1cnc(N)o1
32641 Nc1ncc(o1)C(=O)N(Cc1ccccc1)Cc1ccccc1
32642 Cc1ccccc1CN(Cc1ccc2OCCOc2c1)C(=O)c1cnc(N)o1
32643 CC1(C)CC(=O)c2c(N)ncnc2C1
32644 Cc1c(ccc2nc(N)nc(N)c12)-c1ccccc1
32645 Cc1nc(cs1)-c1ccnc(N)n1
32646 Nc1nc(cs1)-c1ccnc(N)n1
32647 Cc1nc(cn1Cc1c(Cl)cccc1Cl)-c1ccnc(N)n1
32648 Nc1nccc(n1)C(=O)c1ccccc1
32649 Cc1nc2nc(N)[nH]c2c(O)c1Cc1ccccc1
32650 Nc1nc(N)nc(OCCOc2ccccc2)n1
32651 [#6]\[#6](-[#6])=[#6]/[#6]-n1cnc(-[#7])c2ncnc12
32652 CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
32653 N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
32654 N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
32655 CC[C@@H](N)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N |r|
32656 N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N |r|
32657 N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1C(=O)NCc1ccc(cc1)C(N)=N |r|
32658 N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
32659 CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
32660 CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c2ccccc2c1=O
32661 Cc1cccc(NC(=O)c2snc3c2nc[nH]c3=O)c1
32662 Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
32663 Cc1ccc(cc1)-c1csc(n1)N1CCC(CC1)NS(=O)(=O)c1ccc2OCCOc2c1
32664 Clc1ccc2[nH]c(=O)nc(-c3ccccc3)c2c1
32665 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
32666 O=S(=O)(Cc1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccs1
32667 O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccoc1
32668 CCCN(CCC)C(C(=O)Nc1cccc(OC)c1)c1ccccc1
32669 COc1ccc(cc1OC)C(=O)n1nc(nc1SC)-c1ccco1
32670 Cc1c(O)ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c1O
32671 CSc1nc(nn1C(=O)c1cccs1)-c1ccco1
32672 CCCC(=O)Nc1ccc(cc1)C(=O)n1nnc2ccccc12
32673 CCc1cc(=O)oc2cc(C)cc(OC(=O)c3ccco3)c12
32674 O=C(c1cn(nc1-c1ccncc1)-c1ccccc1)n1nnc2ccccc12
32675 COc1ccc(cc1Br)C(=O)n1nnc2ccccc12
32676 Cc1cc(C)cc(c1)C(=O)n1cnnc1N
32677 CCC(CO)NCc1ccc(OC2CCCC2)cc1
32678 CCCC(=O)n1nc(nc1SC)-c1ccccc1
32679 CCOC(=O)c1c(C)nc2c3ccccc3oc(=O)c2c1C
32680 O=C(c1cccc2ccccc12)n1nnc2ccccc12
32681 CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12
32682 CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCC(C)CC1
32683 COc1cccc(c1)C(=O)N(Cc1ccccc1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
32684 CCOc1cc(c(OCC)cc1-n1cnnn1)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
32685 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)S(=O)(=O)c1ccccc1 |TLB:9:8:7:3.2.4|
32686 Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
32687 O=S(=O)(Nc1cccc2nsnc12)c1ccccc1
32688 COc1ccc(cc1Cl)S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
32689 COCC\N=C1/Sc2nc3c(C)cccc3cc2CN1Cc1ccco1
32690 COc1ccc(Cn2nnnc2C(N2CCC(CC2)C(N)=O)c2ccccc2Cl)cc1
32691 CCc1ccc(NC(=O)Cn2nc(c3CCCc23)C(F)(F)F)cc1
32692 COC(=O)CSc1nnc(C)n1-c1cccc(OC)c1
32693 Clc1coc2cc(OC(=O)c3cccnc3)ccc2c1=O
32694 O=C(NC(C(=O)c1ccccc1)n1c(=O)cc[nH]c1=S)c1ccccc1
32695 O=C(Oc1cccc(c1)-n1cnnn1)c1ccco1
32696 Cc1ccc(cc1)C(=O)n1nnc2ccccc12
32697 CSc1nc(nn1C(=O)c1ccccc1)-c1ccco1
32698 COC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
32699 CC(C)c1nc2ccc(NC(=O)C3CCCCC3)cc2[nH]1
32700 Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(N)c1
32701 O=C(c1ccccc1)n1nnc2ccccc12
32702 CCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
32703 CNCCCc1ccccc1
32704 COc1ccc2c(c1)n(C)c(cc2=O)-c1ccccc1
32705 Cc1ccccc1C(=O)N=c1sccn1C |w:9.9|
32706 COc1cc(OC)c2c(N)c(C#N)c(nc2c1)C(F)(F)C(F)(F)F
32707 Cc1cc(C)n2nc(cc2n1)C(=O)Nc1ccc2OCOc2c1
32708 COc1cc(OC)cc(c1)-c1nnc(SCc2cccc(c2)C(O)=O)o1
32709 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
32710 COc1ccc(CC(=O)NCc2ccc3OCOc3c2)cc1
32711 CC(C)OC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1coc2ccccc2c1=O |c:6,t:9|
32712 COC(=O)c1ccc(NC(=O)Cc2c(O)n(-c3ccc(C)cc3)c(=O)n2CC(C)C)cc1
32713 Cc1ccc(cc1)C(=O)n1cnnc1N
32714 Cc1ccc(NC(=O)CCn2cccc2)cc1
32715 Cc1cc(=O)n([nH]1)-c1nc(C)cc(=O)[nH]1
32716 Cc1ccc(cc1)N(C(=O)c1ccccn1)C1(CCCCC1)C(=O)NC1CCCC1
32717 Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
32718 CCOc1cccc2cc(C(N)=O)\c(=N\Cc3ccccc3)oc12
32719 CCC1(C(=O)N(C)C(=O)N(C)C1=O)c1ccccc1
32720 CC(=O)c1ccc(NC(=O)c2cnn3ccccc23)cc1
32721 O=C(NCc1ccccc1)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
32722 CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1
32723 CCOc1ccc(c2cccnc12)S(=O)(=O)NCc1ccc(OC)cc1
32724 CCCC1CCc2c(C1)sc(N)c2C(N)=O
32725 O=C(CCCN1C(=O)c2ccccc2C1=O)NCC1CCCO1
32726 Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1cccnc1
32727 [O-][n+]1c(-c2cc3ccccc3o2)c(=O)n(OCc2ccccn2)c2ccccc12
32728 COc1cccc(c1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
32729 CCCc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
32730 COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C
32731 COc1cc(C=c2sc3=NCCCn3c2=O)ccc1O |t:8|
32732 [H]C12CC(CC)C([H])(C1)C(C2)NC(C)=O |TLB:11:9:8:3.2,THB:4:3:8:9.10|
32733 CCN(CC)CCNC(=O)C(C)c1nn(C)c(=O)c2ccccc12
32734 COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCCc2ccccc12
32735 O=C(CSc1nc2CCCc2cc1C#N)Nc1sc2CCCc2c1C#N
32736 Cn1c2nc(Br)n(Cc3ccccc3Cl)c2c(=O)n(CC=C)c1=O
32737 CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccccc2)c1=O
32738 CN(C)C=O.NC1=c2c(N)c(C#N)c(N)nc2=C2C(CC(=O)N=C2S1)c1ccccc1Cl |c:5,22,t:16|
32739 Cc1c(NC(=O)c2cc3ccccc3o2)c(=O)n(-c2ccccc2)n1C
32740 COc1ccc(OCC(=O)Nc2cc(ccc2OC)-c2nn(C)c(=O)c3ccccc23)cc1
32741 CCc1ccc(CC2SC(NC2=O)=C(C#N)C(C)=O)cc1 |w:9.8|
32742 OCCCn1c2CCCCc2c(=S)nc1-c1ccccc1
32743 CNC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C
32744 Cc1cnc(cn1)C(=O)OCC(=O)NCc1ccccc1
32745 COc1ccc(OCCSc2nnc[nH]2)cc1
32746 CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccccc1
32747 COc1ccccc1-n1cnnc1SCC(=O)Nc1nc(C)c(Cl)cc1Cl
32748 Cc1cc(NC(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)no1
32749 CCOC(=O)N=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)c1ccccc1
32750 CN(CCOc1ccccc1)c1ccc(cn1)S(=O)(=O)N1CCCCC1
32751 Fc1ccccc1S(=O)(=O)NCCC(=O)Nc1nnc(s1)C1CC1
32752 Fc1ccc(NC(=O)CCSc2nnc3ccc4ccccc4n23)cc1
32753 O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc(cc1)C#N
32754 Clc1coc2cc(OC(=O)c3ccncc3)ccc2c1=O
32755 Cc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
32756 Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
32757 O=C(Nc1ccc2c(c1)oc1ccccc21)N1CCOCC1
32758 CCOC(=O)c1c(C)n(C(=O)c2ccco2)c(=O)n1C(=O)c1ccco1
32759 O=C(NC1CCCC1)C(N(C1CC1)C(=O)c1csnn1)c1ccccn1
32760 Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc12
32761 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccco2)cc1N
32762 COC(=O)c1ccc(OC(=O)c2ccco2)cc1
32763 CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1
32764 NCC(O)c1ccc(O)cc1
32765 O=C(OCC#C)c1ccccc1C(=O)n1nnc2ccccc12
32766 COc1ccccc1\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
32767 CCOC(=O)c1ccc(cc1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
32768 O=C(Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1)c1ccco1
32769 CCOc1ccc(cc1OCC)C1C(C#N)C(=N)Oc2cc(C)n(CCN(C)C)c(=O)c12
32770 Cc1nnc(SCCn2c(Br)nc3n(C)c(=O)[nH]c(=O)c23)s1
32771 COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCCCC1
32772 CN(Cc1ccccc1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCCSc1ncccn1
32773 Clc1ccc(s1)-c1csc(NC(=O)c2cccs2)n1
32774 COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)Cn1cnc2ccccc12
32775 Cc1ccc2c(CN3CCN(Cc4ccc5OCOc5c4)CC3)cc(=O)oc2c1C
32776 COc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
32777 Cn1cccc1C(=O)Nc1nc(cs1)-c1ccccn1
32778 Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
32779 Cc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)c(C)c1 |t:6,15|
32780 Cc1sc2NC(NC(=O)c2c1C)c1cccc(O)c1
32781 COc1ccc(cc1)C(N)CCc1ccc(C)o1
32782 COc1ccc(cc1)N1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1C#N
32783 Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccc(F)cc1
32784 Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
32785 O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
32786 COC(=O)c1cccc(NC(=O)CSc2nnc[nH]2)c1
32787 CCSc1ccccc1C(=O)n1nnc2ccccc12
32788 CCOC(=O)c1cc(OC(=O)c2cccs2)n(n1)-c1ccccc1
32789 CCOc1ccc(NC(=O)c2ccco2)cc1
32790 Clc1ccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
32791 O=C(c1csc2ccccc12)n1cccn1
32792 Oc1cc(N2CCC(CC2)c2nc3ccccc3o2)c(O)n1-c1ccc(Cl)c(c1)C(F)(F)F
32793 O=C(CN1C(=O)CSc2ccccc12)N1CCc2ccccc12
32794 Cc1nn(C(=O)c2ccccc2)c2CC(C)(C)CC(=O)c12
32795 Cc1ccc(cc1C)C(=O)n1cnnc1N
32796 CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccco1
32797 CSc1nc(nn1C(=O)c1ccco1)-c1ccco1
32798 CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
32799 FC(F)C(F)(F)C(F)(F)C(F)(F)c1cc(n[nH]1)-c1ccccc1
32800 COc1ccc2CCc3sc(NC(=O)c4cccs4)nc3-c2c1
32801 O=C(c1ccc2OCOc2c1)n1nnc2ccccc12
32802 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)S(=O)NC1CCCCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
32803 CC(=O)c1sc2ccccc2c1OC(=O)c1ccco1
32804 [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
32805 Clc1cncc(OC(=O)c2ccco2)c1
32806 COc1ccc(cc1OC)C(=O)n1nnc2ccccc12
32807 COc1ccc(OC)c(c1)S(=O)(=O)N1CCCC(C)C1
32808 C\C=C(/C)C(=O)OC1C(OC(C)=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12
32809 CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O
32810 CCOC(=O)CSc1nnc(o1)-c1ccccc1
32811 COc1nc(NCC=C)nc(NC(C)(C)CO)n1
32812 CC(N1C(=O)C2CC=C(C)CC2C1=O)c1ccccc1 |t:7|
32813 Clc1ccccc1-c1nc2ccsc2c(=O)o1
32814 Cc1cccc(CN2CCN(CC(=O)N3CCCC3)C2=O)c1
32815 COc1ccc(cc1)-c1nn(cc1C(=O)n1nnc2ccccc12)-c1ccccc1
32816 Cc1cccc(NC(=O)c2cc(ccc2Cl)-n2c(O)ccc2O)n1
32817 COc1ccc(cc1)N1C(=O)C(Cl)=C(N2CCCC(C)C2)C1=O |t:13|
32818 Brc1ccc2nc3c(cccn3c(=O)c2c1)C(=O)N1CCC2(CC1)OCCO2
32819 CCc1ccc(NC(=O)CCn2cccc2)cc1
32820 CN(C)c1ccc(cc1)C(=O)n1nnc2ccccc12
32821 COc1ccc2-c3nc(NC(=O)c4ccc(C)cc4)sc3CCc2c1
32822 O=C(c1cccs1)n1nc(nc1SCc1ccccc1)-c1ccco1
32823 O=C(c1cn(nc1-c1ccccc1)-c1ccccc1)n1nnc2ccccc12
32824 COc1cc(OC)cc(c1)C(=O)n1cnnc1N
32825 Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccco1
32826 Clc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
32827 O=C(Oc1cccc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c1)c1cccs1
32828 C=CCn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccco1
32829 COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O |w:20.19,8.8|
32830 Cc1ccc(cc1)C(=O)NNC(=S)NC(=O)COc1ccccc1
32831 CSc1nc(nn1C(=O)c1ccccc1)-c1ccccc1
32832 CSc1nc(nn1C(=O)c1ccc(C)cc1)-c1ccccc1
32833 COc1ccc(cc1)C(=O)n1nc(nc1SC)-c1ccccc1
32834 COc1ccc(cc1)C(=O)n1c(SC)nc2cc3OCCOc3cc12
32835 CSc1nc2cc3OCCOc3cc2n1C(=O)c1ccc(C)cc1
32836 O=C(ON=C1CCS(=O)(=O)c2sccc12)c1ccccc1 |w:3.2|
32837 Cc1ccc(cc1)C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:10.10|
32838 Cc1ccc(cc1)C(=O)Oc1cc(C)n(C)c(=O)c1
32839 CN1C(=O)C(=NOC(=O)c2ccccc2)c2ccccc12 |w:5.5|
32840 CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)n1
32841 CC(C)(C)C(=O)Nc1ccc(cc1)C(=O)NN=Cc1ccccc1OC(=O)c1ccccc1 |w:16.16|
32842 Clc1ccc(cc1)C(=O)Oc1ccc(=O)n(n1)-c1ccccc1
32843 COc1ccc(cc1)C(=O)Oc1ccc(=O)n(n1)-c1ccccc1
32844 O=C(Oc1ccc(=O)n(n1)-c1ccccc1)c1ccccc1
32845 COc1ccc(cc1)C(=O)Oc1cc(C)nn2cnnc12
32846 Clc1cccc(c1)C(=O)Oc1ccc(=O)n(n1)-c1ccccc1
32847 CC1(C)CC(=O)C=C(C1)OC(=O)c1ccc(Cl)cc1 |c:6|
32848 Cc1ccc(cc1)C(=O)OC1=CC(=O)CC(C)(C)C1 |t:11|
32849 Cc1cc(C)c(C)c(c1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
32850 Cc1ccccc1-c1cc(C(=O)n2cccn2)c2cc(Cl)ccc2n1
32851 Cc1cc(C)c(cc1C)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
32852 C\C(=C/c1ccccc1)C(=O)n1nnc2ccccc12
32853 Cc1ccc(c(C)c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
32854 Cc1ccc(C)c(c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
32855 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(C)n1 |c:5,TLB:9:8:2:6.5,THB:12:7:2:6.5|
32856 O=C(Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1)c1cccs1
32857 O=C1N(OS(=O)(=O)c2ccccc2)C(=O)c2ccccc12
32858 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
32859 O=C(Nc1nc(cs1)-c1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
32860 NC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N
32861 [H]C12CC(C)(CN1CC(O)COc1cccc(C)c1)CC(C)(C)C2 |TLB:7:6:2:20.19.23|
32862 O=C(Oc1ccc2ccc(=O)oc2c1)c1cccs1
32863 COc1cccc(c1)C(=O)Oc1ccc2c(C)cc(=O)oc2c1C(C)=O
32864 O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1sccc1C#N
32865 Brc1ccc(o1)C(=O)NNC(=O)c1cccs1
32866 Cc1ccc([CH+][N-]NC(=S)NCC=C)cc1[N+]([O-])=O
32867 CCc1cccc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1
32868 CS(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
32869 CCCOc1ccc(cc1)C(=O)CCC(=O)OCC(=O)Nc1ccc(OCC)cc1
32870 CCCCn1c(N)c(Br)c(=O)[nH]c1=O
32871 O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12
32872 NC1=NC(=NNc2nc(cs2)-c2ccc(Cl)cc2)c2ccccc12 |w:4.4,t:1|
32873 Cc1cc(c(C)cc1-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1)[N+]([O-])=O
32874 COc1ccc(cc1NC(=O)CC1S\C(=N/c2cccc(C)c2C)N(N=Cc2cccc(OC)c2OC)C1=O)[N+]([O-])=O |w:25.26|
32875 COc1c(C)cc(cc1C)C(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1C
32876 CSc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1
32877 Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O
32878 CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(c2)[N+]([O-])=O)cc1
32879 [H]C12CC(C)(Oc3c(OCC)cccc13)N(Cc1ccccc1)C(=O)N2 |TLB:16:15:2:5.14.6,THB:13:14:2:15.25.23|
32880 CCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
32881 COc1ccccc1C(=O)n1nc(nc1SC)-c1ccco1
32882 Cc1nc2ccccc2c(=O)n1NC(=O)c1cc(Br)ccc1Cl
32883 CCCc1ccc(OCc2ccc(o2)C(=O)Nc2cccc(C)n2)c(OC)c1
32884 COCC(=O)Nc1ccccc1-c1ccccc1
32885 Cc1cc(C)cc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
32886 COc1cccc(c1)C(=O)OCCN1CCOCC1
32887 CCn1nc(CC(O)=O)c2ccccc2c1=O
32888 COc1ccc(cc1)C(=O)NN=Cc1cc2ccccc2[nH]c1=O |w:11.11|
32889 CC(=O)c1ccc(NC(=O)C(Cl)=Cc2ccccc2)cc1 |w:12.12|
32890 COc1ccc(C=Nn2c(C)cc(C)cc2=O)cc1 |w:7.7|
32891 CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cc(C)ccc1OC
32892 CCOC(=O)c1ccc(NC(=O)Nc2cccc(C)n2)cc1
32893 Oc1ccc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)c(O)c1 |w:6.6|
32894 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+]([O-])=O)cc1
32895 COc1cc(cc(OC)c1OC)C(=O)NC(=S)N(C)Cc1ccccc1
32896 CCCCn1nnc(n1)N(C(=O)c1cccs1)C(=O)c1cccs1
32897 Cc1cnn(c1)C(=O)c1cc(nc2ccc(Cl)cc12)-c1ccccn1
32898 [O-][N+](=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1
32899 CC(=C)CNC(=S)Nc1cccc(N)n1
32900 CC(C)CNC(=O)Nc1ccc(F)c(Cl)c1
32901 CCNc1cc(ccc1[N+]([O-])=O)N1CCNCC1
32902 CC(C)c1csc(CN2CCCC(CCC(=O)NCc3ccccc3F)C2)n1
32903 CN(Cc1ccon1)C(=O)CC1N(CC2CCCCC2)CCNC1=O
32904 CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
32905 COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+]([O-])=O)c(OC)c1
32906 Clc1ccc(cn1)C(=O)NCc1ccccc1
32907 CCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1
32908 CCOC(=O)CNC(=O)\C=C\c1ccccc1Cl
32909 Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
32910 COc1cc2OCOc2cc1\C=C\[N+]([O-])=O
32911 CCc1ccccc1-n1c(O)cc(=O)[nH]c1=O |(3.08,-2.31,;4.41,-1.54,;5.75,-2.31,;5.75,-3.85,;7.08,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;8.41,.77,;9.75,,;8.41,2.31,;7.08,3.08,;7.08,4.62,;5.75,2.31,;5.75,.77,;4.41,,)|
32912 COc1ccc(cc1OC)S(=O)(=O)NCCOc1cccc2cccnc12
32913 COc1ccc(cc1NCc1ccco1)[N+]([O-])=O
32914 O=C(CSc1ncccn1)NN=Cc1cccc(OC2CSC2)c1 |w:11.11|
32915 CN1C(=O)NC(c2ccsc2)C(C(=O)OCCOc2ccccc2)=C1C |c:25|
32916 Cc1ccc(CN2C(=O)C(=NNC(=S)Nc3ccccc3F)c3cc(ccc23)S(=O)(=O)N2CCOCC2)cc1 |w:10.10|
32917 CC1=Nc2[nH]c(=O)[nH]c(=O)c2C(C1C(=O)OCC=C)c1ccccc1 |t:1|
32918 Fc1cccc2sc(NC(=O)C3=COCCO3)nc12 |t:11|
32919 CC(=O)Nc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
32920 COc1ccc(cc1)C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:11.11|
32921 COCCNCC(=O)Nc1nc(C)cs1
32922 CCN1CCN(CC(=O)Nc2cc(C)on2)CC1
32923 Brc1cccc(CN=Nc2nnn[nH]2)c1 |w:8.8|
32924 Clc1ccc(cc1)-c1csc(n1)N1CCOCC1
32925 COc1ccc(CSc2nc(C)cc(C)c2S(C)(=O)=O)cc1
32926 Cc1ccccc1C(=O)NC1CCSC1=O
32927 OCCN1C(=O)c2ccc(cc2C1=O)-c1ccc2C(=O)N(CCO)C(=O)c2c1
32928 Cc1nc2cc(NC(=O)Nc3cccc(F)c3)ccc2n1C
32929 Nn1c(nc2ccccc2c1=O)C1CCCCC1
32930 CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)c(cc2[nH]1)[N+]([O-])=O
32931 CNC(=S)N1CCC(CC1)NC(=O)c1ccco1
32932 COc1cc(cc2sc(NC(C)=O)nc12)[N+]([O-])=O
32933 COc1ccc(cc1)-c1n[nH]cc1C1N=C(N)Nc2nc3ccccc3n12 |t:16|
32934 O=C(Nc1nc2cc3OCOc3cc2s1)c1ccco1
32935 CCSc1nnc(NC(=O)[C@H](C)N2C(=O)C3CC=CCC3C2=O)s1 |c:17|
32936 Clc1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1
32937 Fc1ccc(Nc2ccc3ccccc3n2)c(F)c1
32938 NC(=O)NOCc1ccccc1
32939 O=C(NN=Cc1ccsc1)c1ccccn1 |w:3.2|
32940 Clc1ccc(-[#6]-[#8]-c2ccccc2-[#6](=O)-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)cc1
32941 Clc1cccc(NC(=O)NNC2=NCCCCC2)c1 |t:11|
32942 CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)CNC(=O)c2ccccc2)c1
32943 COc1ccc(C)cc1NC(=O)COC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)cc1
32944 COc1cc(cc(OC)c1OC)C(=O)NCC(=O)OCn1nnc2ccccc2c1=O
32945 Cc1ccc(cc1)C(=O)n1ncn(C)c1=S
32946 O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC1CCCCC1
32947 Cc1nn(CC(=O)c2ccc(Cl)s2)c(C)c1[N+]([O-])=O
32948 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)\C=C\c1c(C)nn(c1C)-c1ccccc1
32949 CC(C)NC(=O)CSc1nc(cs1)-c1ccccc1
32950 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cccc(c2)S(=O)(=O)[N-]c2ccc(C)cc2)cc1
32951 Cc1ccc(cc1NC(=O)CSc1nnc[nH]1)S(=O)(=O)N1CCCCC1
32952 COc1cc(ccc1OCc1c(C)noc1C)C(=O)OCC(C)=O
32953 Cc1cc(F)ccc1S(=O)(=O)Nc1ncnc2sc3CCCc3c12
32954 Cc1cccc(OCC(=O)NN=Cc2ccccc2C(O)=O)c1 |w:11.10|
32955 OC(=O)c1ccccc1C=NNC(=O)c1ccccc1Br |w:10.11|
32956 Cc1onc(c1C(=O)N(Cc1ccco1)Cc1cccs1)-c1ccccc1
32957 CC1=CC(CC(C)(C)C1)=NNC(=S)Nc1cccnc1 |w:9.10,t:1|
32958 CCn1c(C)nc2cc(ccc12)C(=O)NN=C(C)c1ccc(OC)cc1O |w:15.16|
32959 CC(C)N(Cc1ccccc1)C(=S)NC1CCCCC1
32960 COc1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(=O)OCC(=O)c1ccc(Cl)cc1Cl
32961 CC(=C)CNC(=S)NN=C(C)c1cccc(NC(C)=O)c1 |w:8.7|
32962 Cc1cc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccc(C)cc2)no1
32963 O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
32964 CCOC(=O)c1sc2ncn(N=Cc3ccc(O)cc3)c(=O)c2c1C |w:11.10|
32965 Cn1nc(ccc1=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1
32966 CN(C)c1ccc(cc1)C(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
32967 CCOC(=O)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1
32968 OC(=O)c1ccc(cc1)N=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 |w:9.9|
32969 CCOc1ccc(cc1)N=C(N)Nc1nc(CSc2nnc(C)s2)cc(=O)[nH]1 |w:9.9|
32970 Fc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCC1CCCO1
32971 OC(=O)c1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1
32972 CCc1cc(-c2n[nH]cc2-c2nc3ccccc3n2C)c(O)cc1O
32973 CC(C)C(=O)C(=Cc1c(C)nn(C)c1C)n1cncn1 |w:6.6|
32974 CC1=NN(C(C#N)c2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
32975 Clc1ccc(cc1)S(=O)(=O)[N-]c1nc2ccccc2nc1-n1cc[n+](Cc2ccccc2)c1
32976 FC(F)(F)c1ccccc1C1=NOC(C1)C(=O)NCc1ccco1 |t:11|
32977 CCOc1ccc(cc1)-c1c(C)n(c2CCCCC[n+]12)-c1ccc(OCC)cc1
32978 CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)\C=C\CC)C(N)=O)C1 |t:15|
32979 CCCCCC(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
32980 ClC(Cl)C(=O)N(Cc1ccccc1)C1=CCCCC1CCC#N |t:14|
32981 CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O
32982 CCCn1cc(C(=O)OCC)c(=O)c2cc(F)c(F)cc12
32983 Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)nc1
32984 Cc1cc(cc(C)c1SCCc1cccc[n+]1CC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)(C)C
32985 CC1(C)[N-]c2ccc(c(N)c2[N+]1=O)[N+]([O-])=O
32986 Cn1nnc(CC[N+](C)(C)C)n1
32987 CONC(=N)c1nonc1N
32988 COc1cc(ccc1O)C1SCC(=O)N1c1c(C)n(C)n(-c2ccccc2)c1=O
32989 CC(Cc1ccccc1)=NNC(=O)CNC(=O)C=Cc1ccccc1 |w:9.10,18.19|
32990 OCCOc1ccc(cc1P(=O)(c1ccccc1)c1ccccc1)[N+]([O-])=O
32991 CCCCCCCc1c(O)nc(SCCN(C)C)[nH]c1=O
32992 CC(=O)c1ccc(NC(=S)Nc2cccc3cnccc23)cc1
32993 CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccccc1Cl |w:9.10|
32994 COc1cc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(OC)c1O |w:6.6|
32995 CCOc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
32996 Oc1ccccc1-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
32997 OC(=O)CCCC(=O)N1N=C(CC1c1cccs1)c1ccccc1 |c:9|
32998 [H]C12CCC([H])(C1)C(C)(\N=C1/OC(CCl)CS1)C2(C)C |TLB:9:7:6:2.3,8:7:6:2.3|
32999 null
33000 [O-][N+](=O)c1ccccc1C=NNC(=O)c1ccc2nc[nH]c2c1 |w:10.11|
33001 O=C(NC1CCSC1=O)C(c1ccccc1)c1ccccc1
33002 CC(C)(C)C(=O)CSc1ncnc2n(ncc12)-c1ccccc1
33003 Cc1ccc(cc1N)C(=O)C(=O)c1ccc(C)c(N)c1
33004 Cc1cc2c(nc(oc2=O)-c2ccccc2Br)s1
33005 N#C\C(=C/c1cccnc1)c1nc2ccccc2[nH]1
33006 COc1cccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)c1 |(14.45,5.6,;13.97,4.14,;12.46,3.82,;11.43,4.96,;9.93,4.64,;9.45,3.17,;10.48,2.03,;10.01,.57,;8.5,.25,;8.18,1.75,;8.82,-1.26,;6.99,-.07,;6.52,1.39,;4.98,1.39,;4.5,-.07,;5.75,-.98,;5.75,-2.52,;4.41,-3.29,;3.08,-2.52,;4.41,-4.83,;5.75,-5.6,;7.08,-4.83,;7.08,-3.29,;8.62,-3.29,;11.99,2.35,)|
33007 NS(=O)(=O)c1ccc(Cl)cc1[N+]([O-])=O
33008 CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCC(Cc4ccccc4)CC3)c12
33009 CCOC(=O)c1sc(NC(=O)CSC(=S)N2CCN(C)CC2)nc1C
33010 Oc1cc(Sc2ccc(Cl)cc2)c(O)n1-c1ccc2OCCOc2c1
33011 COc1ccc(C=NNC(=O)CCn2cnc3ccccc23)cc1 |w:7.7|
33012 CC(C=NNC(=O)c1cc(n[nH]1)-c1cccn1C)=Cc1ccccc1 |w:3.3,18.20|
33013 O=C(NCc1ccc2NC(=O)c3cccc1c23)c1cccs1
33014 Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1cccc(c1)C(F)(F)F
33015 CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N1CCOCC1
33016 CCc1cc2c(SCC(=O)N(C)C3CCS(=O)(=O)C3)ncnc2s1
33017 Clc1ccc(NC(=O)COC(=O)CCc2nc3ccccc3c(=O)[nH]2)nc1
33018 COc1ccc(NCC(=O)Nc2cc(ccc2N2CCOCC2)S(=O)(=O)N2CCOCC2)c(OC)c1
33019 CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1
33020 Oc1ccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c(O)c1 |w:7.7|
33021 O=C(Cn1c(nc2ccccc12)-c1ccccn1)NN=Cc1cccnc1 |w:19.21|
33022 Cc1cc(nc(NCC2CC2)n1)-c1cc(on1)-c1ccc(Cl)cc1
33023 CCCNC(=O)C1CC(=NO1)c1ccc(cc1)C(F)(F)F |c:8|
33024 OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C(O)C1O
33025 COc1cc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)ccc1O |w:7.7|
33026 CCc1ccc[n+](c1)-c1[n-]c(=O)sc1C=NNC(N)=O |w:15.17|
33027 CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)COc1ccc(Cl)cc1Cl
33028 Cc1n[nH]c(C)c1CCC(=O)NN=Cc1c[nH]c2ccccc12 |w:12.12|
33029 [O-][N+](=O)c1cc(NC2OC(=O)c3ccccc23)ccc1F
33030 COc1ccc(c(OC)c1)S(=O)(=O)NCc1c(C)onc1-c1ccccc1
33031 COc1ccc(Cl)cc1NC(=O)Nc1cn(C)nc1C
33032 COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccs2)cc1
33033 O=C(Oc1c(-c2ccccc2)c(=O)n2CCc3cccc1c23)c1ccco1
33034 COc1ccccc1CC(=O)NCc1csc(n1)-c1cccs1
33035 CN1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)cc1
33036 CCOC(=O)Cc1csc(NC(=O)CC(C)(C)CC(O)=O)n1
33037 Cc1ccc(o1)-c1cc(-c2ccc3OCOc3c2)c(C#N)c(N)n1
33038 COc1cc(ccc1OC(C)=O)C1Nc2cccc3cccc(N1)c23
33039 Cc1ccc(o1)-c1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
33040 COC(=O)CSc1ncnc2c1sc1nc(-c3ccco3)c3COC(C)(C)Cc3c21
33041 Cc1ccc(o1)-c1cc(-c2ccc(C)cc2)c(C#N)c(N)n1
33042 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
33043 Cc1ccc(o1)-c1cc(nc(N)c1C#N)-c1ccc(F)cc1
33044 CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
33045 NC(=O)c1c(N)sc2CCCCCc12
33046 Cc1ccc(\C=C\C2=Cc3c(sc(NC(=O)CSc4nnc(N)[nH]4)c3C#N)C(C)(C)C2)o1 |t:7|
33047 C\C(=C/c1ccco1)C1Nc2cccc3cccc(N1)c23
33048 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|
33049 COc1cc(OC)cc(c1)\N=c1\ssnc1Cl
33050 O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33051 COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
33052 COc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:14.15|
33053 COc1cc(cc(OC)c1O)C1Nc2cccc3cccc(N1)c23
33054 N#Cc1cc(nn1-c1ccccc1)-c1ccccc1
33055 O=C(Nc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33056 Nc1c(sc2nc3CCCC(=O)c3cc12)C(=O)NCc1ccco1
33057 Cc1cc2nn(nc2cc1N)-c1cccc2ccccc12
33058 CCOc1cc(ccc1F)S(=O)(=O)Nc1ccccn1
33059 Cc1onc(c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1)-c1ccccc1
33060 Cc1ccc(o1)-c1c2CCCCc2[nH]c(=S)c1C#N
33061 CN(C)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
33062 Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |w:3.2|
33063 Cc1ccc(C)n1-c1ccc(cc1)N1CCOCC1
33064 CNC(=O)c1c(N)sc2CCCCCc12
33065 CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33066 CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
33067 CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2)c1=O
33068 CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(OC)c2OC)c1=O
33069 CNc1ccc(Br)cc(C(=O)\C=C\c2cc(OC)ccc2OC)c1=O
33070 CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
33071 OCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33072 CC1N(C)c2cccc3cccc(N1C)c23
33073 Cc1ccc(o1)-c1cc(-c2ccc(F)cc2)c(C#N)c(N)n1
33074 Cc1c(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C |w:3.2|
33075 FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
33076 COc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33077 OCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33078 CC(C)(C)NC(=O)COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1
33079 COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC(=O)NC(C)(C)C
33080 CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
33081 CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
33082 CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:5|
33083 CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O |c:5|
33084 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|
33085 Clc1nss\c1=N\c1ccc(cc1)C#N
33086 COc1cc(\N=c2\ssnc2Cl)c(OC)cc1Cl
33087 O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33088 COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1ccc(C)cc1 |(9.75,-4.65,;9.75,-3.11,;8.41,-2.34,;7.08,-3.11,;5.75,-2.34,;5.75,-.8,;4.41,-.03,;3.08,-.8,;7.08,-.03,;8.41,-.8,;7.08,1.51,;8.33,2.41,;7.85,3.88,;6.31,3.88,;5.84,2.41,;4.37,1.94,;9.79,1.94,;10.11,.43,;11.58,-.04,;12.72,.99,;14.19,.51,;12.4,2.49,;10.94,2.97,)|
33089 Cc1cc(N)ccc1N1CCCC1
33090 CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:9.9,2.1|
33091 Oc1c(O)c(=O)cc[c-]1C=[NH+]NC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(cc1)[N+]([O-])=O |w:10.11,24.26|
33092 CCN(CC)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
33093 COC(=O)c1c(C(=O)OC)c2cccc3cc(-c4ccccc4)c4ccc1c4n23
33094 CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1
33095 COc1ccc2c(C)nn(C)c3cccc1c23
33096 OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
33097 CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
33098 OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
33099 CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(OC(C)=O)cc1 |t:7|
33100 COc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
33101 S=c1[nH]cc(-c2ccccc2)n1-c1ccccc1
33102 CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
33103 CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccccc1Cl
33104 [O-][N+](=O)c1ccccc1-c1ccc(\C=C\C(=O)c2ccccc2)o1
33105 Cc1ccc(o1)-c1cc(C(=O)Nc2nccs2)c2ccccc2n1
33106 c1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
33107 CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|
33108 CC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
33109 Nc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
33110 Oc1ccc2cc(Br)ccc2c1C=Nc1ccc2[nH]c(=O)[nH]c2c1 |w:13.15|
33111 CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
33112 Cc1cccc(c1)N1C(NC(=O)C(C#N)C1=S)c1cccs1
33113 Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
33114 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(N)n(Cc2ccccc2)c1=O
33115 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
33116 Cc1ccc(\C=C\C(=O)Nc2ccc(c(NC(=O)\C=C\c3ccc(C)o3)c2)[N+]([O-])=O)o1
33117 Fc1ccc(C=C2CCCC3C(NC(=S)N=C23)c2ccc(F)cc2)cc1 |w:5.4,t:15|
33118 CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(OC)cc1 |t:7|
33119 CCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
33120 CCCC(=O)OCCNc1cc(Sc2nccn2C)c2nonc2c1[N+]([O-])=O
33121 CCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
33122 CC(C)C(=O)NC(c1ccccc1)c1cc([N+]([O-])=O)c2cccnc2c1O
33123 Cc1cccc(OCC(=O)NCC(=O)NN=Cc2cc(Br)ccc2OCc2ccccc2)c1 |w:15.14|
33124 [O-][N+](=O)c1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:17|
33125 COc1ccc(\C=C(/N2C=CC=CC2=C(C#N)C#N)C(=O)c2cccs2)cc1 |c:9,11|
33126 CC(=O)NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O |c:4|
33127 Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|
33128 CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC
33129 [O-][N+](=O)c1cc(\C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)ccc1N1CCCC1
33130 Oc1ccc(cc1)N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
33131 Clc1ccc2c(ccnc2c1)N=NCc1ccccc1Br |w:11.12|
33132 Cc1ccc(\C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1
33133 Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1
33134 C1CN(CCO1)c1nc(-c2ccccc2)n([s+]1)-c1ccccc1
33135 Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
33136 CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OCC)cc2)c1=O
33137 CCN1C(=S)S\C(=C\C=C2/C=CC=CN2CC)C1=O |c:10,12|
33138 CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC
33139 Cc1ccc(C)c(\C=C\C(=O)c2ccccc(=O)c2O)c1
33140 CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OC)cc2)c1=O
33141 COc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
33142 Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
33143 CN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:12.13,1.0|
33144 Clc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
33145 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(O)c(O)c1O |w:17.17|
33146 CCOC(=O)C(=Cc1cccc(O)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|
33147 COc1cccc2C(=O)C(C)=CC(=O)c12 |c:10|
33148 Cc1ccc(\C=C2\NC(=O)N(Cc3ccccc3)C2=O)o1
33149 CCOC(=O)c1c(NC(C)=O)sc2c(O)c(Br)cc(Br)c12
33150 Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
33151 COc1ccc(cc1)N1C(=S)NC(=Cc2cccs2)C1=O |w:13.14|
33152 CNCc1ccccc1Sc1ccc(O)c(O)c1
33153 CC(C)CN1C(=S)N\C(=C/c2ccco2)C1=O
33154 Oc1ccc(NCc2ccccc2OCc2ccccc2)cc1
33155 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCN(CC1)c1ccccn1
33156 COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
33157 O=C(c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
33158 Brc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc4SCC(=O)Nc4c3)c2)cc1
33159 O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3|
33160 Cc1ccc(O)c(NC2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)c1 |c:8|
33161 CC1CC2C(NC(=S)N=C2C(C1)=Cc1cccc(F)c1)c1cccc(F)c1 |w:12.14,c:8|
33162 Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
33163 [#6]-c1nc2scc(-c3ccccc3)c2c(=O)n1\[#7]=[#6]-1/[#6]=[#6]-[#6](=O)-[#6]=[#6]-1 |c:22,26|
33164 CCOc1ccccc1CNc1ccc(O)cc1
33165 COc1ccc(cc1)N1C(=O)C(Cl)=C(Oc2cccc(OC)c2)C1=O |t:13|
33166 COc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccc(F)cc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;11.04,2.07,;12.28,1.17,;11.81,-.3,;10.27,-.3,;13.75,1.64,;14.07,3.15,;15.53,3.63,;16.68,2.6,;18.14,3.07,;16.36,1.09,;14.89,.61,)|
33167 [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)C=C
33168 Clc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1
33169 COc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
33170 [O-][N+](=O)c1c(sc(Cl)c1N1CCOCC1)S(=O)(=O)C=C
33171 Fc1ccc(cc1)-c1nc2cccc3cccc([nH]1)c23
33172 c1coc(c1)-c1nc2cccc3cccc([nH]1)c23
33173 O=C1N(C(=S)NC1=Cc1ccco1)c1ccccc1 |w:7.8|
33174 CCOC(=O)CSC1=NC(=O)\C(S1)=C\c1ccc(Br)cc1 |t:7|
33175 Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
33176 CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
33177 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)\c1=N\C(=O)c1ccccc1OC
33178 Clc1nss\c1=N/c1ccc(Br)cc1
33179 Nc1ccccc1\N=c1\ssnc1Cl
33180 Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
33181 CCOc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1
33182 COc1ccc(cc1)-n1cc([nH]c1=S)-c1ccc(OC)c(OC)c1
33183 [O-]c1[nH]c(=O)[nH]c(=O)c1[CH+]c1ccc(o1)-c1cc(Cl)ccc1[N+]([O-])=O
33184 Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
33185 OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
33186 [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1-[#7+](-[#8-])=O
33187 Clc1nss\c1=N\c1cccc(c1)C#N
33188 Cc1nnc(Sc2cc(NCCO)c([N+]([O-])=O)c3nonc23)s1
33189 COc1cc(OC)c(cc1[CH+][N-]NC(=O)c1ccncc1)[N+]([O-])=O
33190 CCOC(=O)c1sc(N)c(C(=O)Nc2ccccc2OC)c1C
33191 CCOC(=O)c1ccc(cc1)\N=c1\ssnc1Cl
33192 CC(=NNC(=O)c1cc(O)c(O)c(O)c1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
33193 Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1Cc1ccccc1
33194 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
33195 CCc1cccc(CC)c1-n1c(n[nH]c1=S)-c1cccnc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;9.95,-1.57,;10.72,-2.9,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.83,1.96,;10.86,.82,;12.37,1.14,;12.85,2.6,;11.82,3.75,;10.31,3.43,)|
33196 COc1ccccc1NC1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
33197 COc1ccccc1-n1c(c[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
33198 CC(=O)Nc1ccc(cc1)-n1cc([nH]c1=S)-c1ccccc1
33199 Cc1ccc(o1)-c1nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c2n1C
33200 CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
33201 CC1=CC(=O)c2c(O)ccc(O)c2C1=O |t:1|
33202 Fc1ccc(cc1)-c1onc2ccc(cc12)-c1cc[nH]n1
33203 CCCNc1nc2ccccc2c(=O)[nH]1
33204 Clc1ccc2c(Nc3ccccc3)ncnc2c1
33205 COc1cccc(CNc2ncnc3cc(OC)c(OC)cc23)c1
33206 CC(=O)Nc1nc2CCCNC(=O)c2s1
33207 O=c1[nH]cnc2sc3CCCCc3c12
33208 CC(C)(C)Nc1nc(N)c(s1)C(=O)c1ccccc1
33209 CSC1=N\C(=C/c2cccs2)C(=O)N1 |t:2|
33210 C1CN(CCO1)c1ncnc2nc[nH]c12
33211 NCC1CN(CCO1)c1ncnc2nc[nH]c12
33212 CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
33213 NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
33214 NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
33215 NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1
33216 NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1 |r|
33217 NC[C@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1 |r|
33218 Nc1ncnc2nc[nH]c12
33219 NC(=O)c1ccccc1N
33220 COC(=O)Cc1cc(O)cc(O)c1
33221 CCC(=O)c1ccc(O)cc1O
33222 CSc1nc(C)nc(N)n1
33223 COCCOc1cc(C)nc(N)n1
33224 Nc1ncc(\N=N\c2ccccc2)c(n1)-c1ccc(Cl)cc1Cl
33225 CCOc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
33226 CSc1nc(N)nc(n1)-c1ccccc1
33227 CNC(=O)CSc1cc(C)nc(N)n1
33228 NC(=O)c1cc2c(N)nc(N)nc2s1
33229 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccccc1
33230 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1
33231 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(C)cc1C
33232 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(cc1C)C#N
33233 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1ccc(Cl)cc1Cl
33234 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(CC)CC)c(Cl)cc1Cl
33235 CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NC1CC1
33236 CCN(CC)CCOc1cc(c(Cl)cc1Cl)-c1nc(N)nc2sc(cc12)C(=O)NCC(F)(F)F
33237 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCCC2)c(Cl)cc1Cl
33238 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN(C)C)c(Cl)cc1Cl
33239 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCCN(C)C)c(Cl)cc1Cl
33240 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCC(N)=O)c(Cl)cc1Cl
33241 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCC#N)c(Cl)cc1Cl
33242 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OC2CCN(CC)C2)c(Cl)cc1Cl
33243 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCNC2CCCCC2)c(Cl)cc1Cl
33244 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCN(C)CC2)c(Cl)cc1Cl
33245 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCNCCOC)c(Cl)cc1Cl
33246 CCNC(=O)c1cc2c(nc(N)nc2s1)-c1cc(OCCN2CCC(F)(F)CC2)c(Cl)cc1Cl
33247 NC(=N)c1cccc(NC(=O)Nc2cccc(c2)C(N)=N)c1
33249 N\C([NH-])=[NH+]\c1ccc(cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
33250 CC1CNC(=N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC(C)CN3)c3ccccc23)cc1 |c:4,t:24|
33251 C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)-c3ccccc3)c3ccccc23)cc1 |c:2|
33252 C1CCC2N=C(NC2C1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NC4CCCCC4N3)c3ccccc23)cc1 |c:4,t:28|
33253 C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CCNCc4c3)c3ccccc23)cc1 |c:2|
33254 NCc1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:19|
33255 C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc4CNCCc4c3)c3ccccc23)cc1 |c:2|
33256 COC(=O)c1ccc(cc1)-c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |t:28|
33257 C1CN=C(N1)c1ccc(Nc2nnc(Nc3ccc(cc3)C3=NCCN3)c3ccccc23)cc1 |c:2,t:23|
33258 Nc1ccc2c(Nc3ccc(cc3)C3=NCCN3)nnc(Nc3ccc(cc3)C3=NCCN3)c2c1 |t:14,31|
33259 [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]=O |r|
33260 [#7]-[#6](=[#7])-[#7]-[#7]=[#6]-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:4.3,6.5|
33261 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:4.3,10.9|
33262 [#7]-[#6](-[#7])-[#7]-[#7]-c1ccc(-[#7]\[#7]=[#6](\[#7])-[#7])cc1
33264 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-1-[#6](=O)-[#7]-c2ccccc-12 |w:4.3|
33265 [#6]-c1ccc(cc1)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-[#15](-[#8])-[#8] |w:8.9|
33266 NS(=O)(=O)c1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10|
33267 Nc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
33268 CNc1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
33269 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
33270 NS(=O)(=O)c1ccc(cc1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1
33271 CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1ccc(cc1)S(N)(=O)=O
33272 NS(=O)(=O)c1cccc(c1)N=Nc1ccc(O)cc1 |w:10.10|
33273 Nc1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
33274 CN(C)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
33275 NS(=O)(=O)c1cccc(c1)\N=N\c1ccc(NCS([O-])(=O)=O)cc1
33276 CN(CS([O-])(=O)=O)c1ccc(cc1)\N=N\c1cccc(c1)S(N)(=O)=O
33277 [O-]S(=O)(=O)CNc1ccccc1
33278 CN(CS([O-])(=O)=O)c1ccccc1
33279 CCCCCCCCOS(N)(=O)=O
33280 CCCCCCCCCCOS(N)(=O)=O
33281 NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
33282 NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
33283 CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
33284 Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
33285 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccsc2)cc1)-c1ccccc1
33286 Cc1cc(no1)C(Cc1ccc(CCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
33287 Cc1cc(on1)C(Cc1ccc(CCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
33288 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2cccn2)cc1)-c1ccccc1
33289 Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccn2)cc1)-c1ccccc1 |r|
33290 Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2cccn2)cc1)-c1ccccc1 |r|
33291 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2cncn2)cc1)-c1ccccc1
33292 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2ccnn2)cc1)-c1ccccc1
33293 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2nccn2)cc1)-c1ccccc1
33294 Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |r|
33295 Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2nccn2)cc1)-c1ccccc1 |r|
33296 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccccc2)cc1)-c1ccccc1
33297 Cc1oc(nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1)-c1ccccc1
33298 Cc1ccc(N2C(=S)S\C(=C/c3cc(cc(Br)c3O)[N+]([O-])=O)C2=O)c(C)c1
33300 Oc1c(Br)cc(cc1\C=C1/SC(=S)N(C1=O)c1cccc(Cl)c1)[N+]([O-])=O
33301 Cc1cccc(c1)N1C(=S)S\C(=C/c2cc(cc(Br)c2O)[N+]([O-])=O)C1=O
33302 Oc1c(Br)cc(cc1\C=C1/SC(=S)N(C1=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
33303 Cc1ccc(N2C(=S)S\C(=C/c3cc(Br)c(O)c(c3)[N+]([O-])=O)C2=O)c(C)c1
33304 Cc1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc1[N+]([O-])=O
33305 Cc1ccc(N2C(=S)S\C(=C/c3cccc(c3)[N+]([O-])=O)C2=O)c(C)c1
33306 CN1C(=S)S\C(=C/c2cc(cc(Br)c2O)[N+]([O-])=O)C1=O
33307 CN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
33308 CCCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
33309 O=C1N(Cc2ccccc2)C(=S)S\C1=C/c1ccc(o1)-c1ccccc1
33310 CCN1C(=S)S\C(=C/c2ccc(o2)-c2cccc(Cl)c2)C1=O
33311 CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C1=O
33312 C=CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2)C1=O
33313 COc1c(S)cnn(-c2cccc(Cl)c2)c1=O
33314 CCOc1c(S)cnn(-c2ccccc2)c1=O
33315 CSc1cnn(-c2ccccc2)c(=O)c1O
33316 CCn1ncc(SC)c(O)c1=O
33317 CSc1cnn(-c2ccccc2)c(=O)c1Cl
33318 COc1cnn(-c2ccccc2)c(=O)c1S
33319 Oc1cnn(-c2ccccc2)c(=O)c1OCc1ccccc1
33320 COc1c(O)cnn(-c2ccccc2)c1=O
33321 CCSc1c(O)cnn(-c2ccccc2)c1=O
33322 CCSc1c(S)cnn(-c2ccccc2)c1=O
33324 CCOc1c(S)cnn(-c2ccc(cc2)[N+]([O-])=O)c1=O
33325 CCOc1c(S)cnn(-c2cccc(Br)c2)c1=O
33326 CCOc1c(S)cnn(-c2cccc(F)c2)c1=O
33327 CCOc1c(S)cnn(-c2cccc(C)c2)c1=O
33328 CCOc1c(S)cnn(-c2cc(Cl)cc(Cl)c2)c1=O
33329 CCOc1c(S)cnn(C2CCCCC2)c1=O
33330 CCOc1c(SSc2cnn(-c3ccccc3)c(=O)c2OCC)cnn(-c2ccccc2)c1=O
33331 CCOc1cnn(-c2ccccc2)c(=O)c1S
33332 CCOc1cnn(-c2cccc(F)c2)c(=O)c1S
33333 CCOc1cnn(-c2cccc(C)c2)c(=O)c1S
33334 CCOc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1S
33335 COc1c(Cl)cnn(-c2ccccc2)c1=O
33336 COc1c(Cl)cnn(-c2cccc(Br)c2)c1=O
33337 COc1c(Cl)cnn(-c2cccc(F)c2)c1=O
33338 COc1c(Cl)cnn(-c2cccc(C)c2)c1=O
33339 COc1c(Cl)cnn(-c2cc(Cl)cc(Cl)c2)c1=O
33340 COc1c(Cl)cnn(C2CCCCC2)c1=O
33341 CCOc1c(Cl)cnn(-c2ccccc2)c1=O
33342 CCOc1c(Cl)cnn(-c2ccc(cc2)[N+]([O-])=O)c1=O
33343 CCOc1c(Cl)cnn(-c2cccc(Br)c2)c1=O
33344 CCOc1c(Cl)cnn(-c2cccc(F)c2)c1=O
33345 CCOc1c(Cl)cnn(-c2cccc(C)c2)c1=O
33346 CCOc1c(Cl)cnn(-c2cc(Cl)cc(Cl)c2)c1=O
33347 CCOc1c(Cl)cnn(C2CCCCC2)c1=O
33348 CCOc1cnn(-c2ccccc2)c(=O)c1Cl
33349 CCOc1cnn(-c2ccc(cc2)[N+]([O-])=O)c(=O)c1Cl
33350 CCOc1cnn(-c2cccc(Br)c2)c(=O)c1Cl
33351 CCOc1cnn(-c2cccc(F)c2)c(=O)c1Cl
33352 CCOc1cnn(-c2cccc(C)c2)c(=O)c1Cl
33353 CCOc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1Cl
33354 CCOc1cnn(C2CCCCC2)c(=O)c1Cl
33355 Clc1cnn(-c2ccccc2)c(=O)c1Cl
33356 [O-][N+](=O)c1ccc(cc1)-n1ncc(Cl)c(Cl)c1=O
33357 Clc1cnn(-c2cccc(Br)c2)c(=O)c1Cl
33358 Fc1cccc(c1)-n1ncc(Cl)c(Cl)c1=O
33359 Cc1cccc(c1)-n1ncc(Cl)c(Cl)c1=O
33360 Clc1cc(Cl)cc(c1)-n1ncc(Cl)c(Cl)c1=O
33361 Clc1cnn(C2CCCCC2)c(=O)c1Cl
33362 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)[N+]([O-])=O |w:13.14|
33363 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(Br)cc1 |w:13.14|
33364 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |w:13.14|
33365 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1Br)[N+]([O-])=O |w:13.14|
33366 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1O)[N+]([O-])=O |w:13.14|
33367 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1cc(ccc1O)[N+]([O-])=O |w:13.14|
33368 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(C)cc1C |w:13.14|
33369 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(C)c(C)c1 |w:13.14|
33370 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(I)cc1 |w:13.14|
33371 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)N=Nc1ccccc1 |w:13.14,21.23|
33372 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccccc1Cl |w:13.14|
33373 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccccc1O |w:13.14|
33374 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br |w:13.14|
33375 Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(cc1)[N+]([O-])=O |w:13.14|
33376 Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(cc1)[N+]([O-])=O |w:14.15|
33377 Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(cc1)[N+]([O-])=O |w:14.15|
33378 Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(cc1C)[N+]([O-])=O |w:14.15|
33379 Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccccn1 |w:13.14|
33380 Cc1[nH]n(-c2ccccc2)c(=S)c1C=NC1CCCCC1 |w:13.14|
33381 CC1=NOC(=O)C1=Nc1ccc(cc1)[N+]([O-])=O |w:7.8,t:1|
33382 CC(=O)c1ccc(cc1)N=C1C(=O)NN=C1C |w:9.9,c:15|
33383 [O-][N+](=O)c1ccc(\C=C\C(=O)c2ccccc2)cc1
33384 COc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:17|
33385 CC12CC(=O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2 |c:7|
33386 CCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:19|
33387 CCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:22|
33388 CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:28|
33389 CC12CC(=O)C(=O)C=C1c1cccc(O)c1C(=O)O2 |c:7|
33390 COc1cc(O)c2c(c1)c1cc(OCc3ccccc3)c(OCc3ccccc3)cc1oc2=O
33391 COc1cc(O)c2c(c1)c1cc(O)c(O)cc1oc2=O
33392 COc1cc(O)c2C(=O)OC3(C)C=CC(=O)C=C3c2c1 |c:12,16|
33393 CC12OC(=O)c3c(O)cccc3C1=CC(=O)C=C2 |c:14,18|
33394 COc1ccccc1\C(C)=C\c1coc2nc(N)nc(N)c12
33395 COc1ccccc1\C(C)=C/c1coc2nc(N)nc(N)c12
33396 CCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
33397 COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C(C)C
33398 COc1ccccc1\C(=C/c1coc2nc(N)nc(N)c12)C1CC1
33399 CCCC\C(=C\c1coc2nc(N)nc(N)c12)c1ccccc1OC
33400 COc1ccccc1\C(CC(C)C)=C/c1coc2nc(N)nc(N)c12
33401 CCC(C)C(=C\c1coc2nc(N)nc(N)c12)\c1ccccc1OC
33402 CCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
33403 COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C
33404 COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C1CC1
33405 CCCCC(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
33406 COc1ccccc1C(CC(C)C)Cc1coc2nc(N)nc(N)c12
33407 CCC(C)C(Cc1coc2nc(N)nc(N)c12)c1ccccc1OC
33408 Cc1cc2ncc(nc2cc1C)-c1ccccc1
33409 OC(=O)C(=O)CC(=O)c1ccc(NC(=O)c2ccccc2)s1
33410 ON1C(=O)Cc2ccccc2C1=O
33411 CC(C)c1ccc(O)c(=O)c(O)c1
33412 On1c(=O)[nH]c2ccccc2c1=O
33413 OC(=O)c1cc(O)c(=O)c2c(O)c(O)ccc2c1
33414 OC(=O)c1nc([nH]c(=O)c1O)-c1ccccc1
33415 OC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
33416 OC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
33417 OC(=O)c1nc(Cc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1O
33418 COc1ccc(Cc2nc(C(O)=O)c(O)c(=O)[nH]2)cc1Br
33419 OC(=O)c1nc(Cc2c(Br)sc3ccc(Cl)cc23)[nH]c(=O)c1O
33420 COC(=O)c1nc(Cc2ccccc2)[nH]c(=O)c1O
33422 O=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1
33423 O=C(C1CCC1)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
33424 Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2OCOc2c1
33425 O=C(N1CCCC(C1)c1nc2n(Cc3ccccc3)nnc2c(=O)[nH]1)c1ccccc1
33426 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(C)cc1
33427 CC1(C)N(C(=O)c2ccco2)c2ccccc2-c2c1ssc2=S
33428 CC(C)C(=O)Nc1cc(C)c(NC(=O)Cc2ccccc2)cn1
33429 Clc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccco3)nc2N1
33430 FC(F)(F)c1cnc(Oc2ccc(cc2)-c2nnco2)c(Cl)c1
33431 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccc(Cl)cc1
33432 Cc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1
33433 Cc1onc(c1C(=O)n1nnc2ccccc12)-c1ccccc1
33434 Cc1occc1C(=O)n1nnc2ccccc12
33435 COc1ccccc1C(=O)n1nc(nc1N)-c1ccc(Cl)cc1
33436 COc1ccccc1C(=O)n1nc(nc1N)-c1ccco1
33437 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
33438 CCCC(=O)n1nc(nc1N)-c1ccc(OC)cc1
33439 Nc1nc(nn1C(=O)Cc1ccccc1)-c1cccnc1
33440 Nc1nc(nn1C(=O)Cc1ccccc1)-c1ccccc1
33441 Nc1nc(nn1C(=O)c1ccco1)-c1cccnc1
33442 CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1
33443 CCOC(=O)N1CCN(C\C(C)=C\c2ccccc2)CC1
33444 Cc1ccc(cc1S(=O)(=O)NCCO)-c1n[nH]c(=O)c2ccccc12
33445 COc1cc(OC)cc(c1)C(=O)n1nc(C)cc1C
33446 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1 |c:1|
33447 O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c1ccco1
33448 Nc1nc(nn1C(=O)c1ccccc1)-c1ccco1
33449 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
33450 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccco1
33451 Clc1ccc(OC(=O)c2ccco2)c2ncccc12
33452 Cc1ccccc1CNCc1cccnc1
33453 COc1ccc(cc1)C(=O)n1cnnc1N
33454 COc1ccc(cc1)C(=O)n1nc(nc1N)-c1ccco1
33455 COc1ccc(C=c2sc3=NC4(N(C)C(=O)N(C)C4(Nn3c2=O)c2ccccc2)c2ccccc2)cc1 |t:9|
33456 CC(=O)Oc1ccc2c(C)cc(=O)oc2c1
33457 Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1
33458 CC(C)NC(=O)c1ccccc1-c1ccccc1
33459 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(N2CCCCC2)c(c1)[N+]([O-])=O)C#N |w:11.13|
33460 Cc1ccc(NC(=O)C2(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
33461 Cc1ccc(CNC(=O)CS(=O)CC(O)=O)cc1
33462 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccc(Cl)cc1
33463 CCc1ccc(cc1)C(=O)COC(=O)c1cccs1
33464 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#6]-1=O)=[#7]\[#8]-[#6](=O)-c1cccc(c1)-[#7+](-[#8-])=O |t:1,4|
33465 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)Cc1ccccc1
33466 CCCC(=O)n1nc(nc1N)-c1cccnc1
33467 CCOc1cc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)ccc1OCCOc1ccccc1
33468 OC1(CSC2=C(C#N)C(CC(=O)N12)c1ccccc1F)c1ccccc1 |c:4|
33469 O=C(Oc1nsnc1N1CCOCC1)c1ccccc1
33470 O=C1N=C(S\C1=C/c1cccs1)c1ccccc1 |c:2|
33471 Cc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)c(sc2n1)S(C)(=O)=O
33472 COc1cc(ccc1O)C(=O)n1nc(C)cc1C
33473 COc1cccc(c1)-c1nc2ccccc2c(=O)o1
33474 CCn1c(C)c(C(C)=O)c(nc1=S)N1CCN(CC1)c1ccccc1
33475 CC(=O)Oc1oc(nc1\C=N\c1ccccc1)-c1ccccc1
33476 Cc1ccc(cc1)C(=O)Oc1oc(nc1\C=N\c1ccc(Cl)cc1)-c1ccco1
33477 COC(=O)[C@H](C)NC(=O)NC(C)CCc1ccccc1
33478 CC(C)C(C)(NC(=O)CSc1nnc(n1C)C(F)(F)F)C#N
33479 CC(\N=c1/ccccn1C(=O)Nc1cccc(c1)C(F)(F)F)c1ccco1
33480 COC(=O)c1nnc(NC(=O)c2ccc(Br)cc2)[nH]1
33481 COC(=O)c1nnc(NC(=O)c2ccccc2)[nH]1
33482 Cc1cccc(C)c1OCC(=O)N[N-][CH+]c1cc2OCOc2cc1[N+]([O-])=O
33483 CC(C)Nc1nc(NC(C)C)nc(n1)C#N
33484 COC(=O)c1ccccc1NC(=O)C1CN(C(=O)C1)c1ccc(F)cc1
33485 OC1(CC(=O)c2ccc3OCOc3c2)C(=O)Nc2ccc(Br)cc12
33486 Cc1cc(NCC#C)n2ncnc2n1
33487 COc1ccccc1CN(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
33488 O[N+]1=C(c2cccs2)C(=C)N([O-])C2=C1CCC2 |c:1,13|
33489 Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1ccccc1
33490 CCOc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
33491 O=C(NC1CCCCC1)C1CCN(CC1)c1nnnn1-c1ccccc1
33492 Cc1ccc(cc1)-c1noc(CN2CCC(CC2)C(N)=O)n1
33493 OCCn1c2ccccc2n(Cc2ccccc2)c1=N
33494 CCOC(=O)c1ccc(NC(=O)NC2CCN(CC(=O)NCc3ccc4OCOc4c3)CC2)cc1
33495 COC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc12
33496 COc1ccccc1NC(=O)N1CCCC1C(=O)NC1CCCCC1
33497 OC1(CCN(Cc2nnnn2Cc2cccs2)CC1)c1ccc(F)cc1
33498 CCCCOC(=O)n1ccc(n1)C(=O)Nc1ccccc1OC
33499 COc1ccccc1NC(=O)C1C2CCCCC12
33500 CC1CCc2[nH]nc(C(O)=O)c2C1
33501 Cc1cc(C)nc(Nc2ccccc2Br)n1
33502 Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(cc1)S(=O)(=O)N1CCOCC1
33503 CC(C)c1nnc(NC(=O)c2cnccn2)s1
33504 CC(C)c1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)c1ccc(F)cc1F
33505 COc1ccc(-c2n[nH]cc2-c2ccc3OCCOc3c2)c(O)c1
33506 N#Cc1c2CCCc2sc1N=Cc1ccco1 |w:10.11|
33507 NC(NC(=O)c1ccccc1NC(=O)c1ccccc1)=Nc1nc2ccccc2o1 |w:20.22|
33508 O=C1NCC(COCc2ccco2)O1
33509 C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
33510 Cc1cc2ncn(C(=O)c3ccc4OCOc4c3)c2cc1C
33511 Cc1ccc(OCC(=O)N2CCC(CC2)N2CCCCCC2)cc1
33512 CCCn1c2CCCCc2c(O)c(C(=O)Nc2nccs2)c1=O
33513 Cc1nn(Cc2ccc(cc2)C(=O)Nc2nccs2)c(C)c1Cl
33514 Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2Br)o1
33515 CCCOP(=O)(C(O)c1ccncc1)c1ccc(cc1)N(C)C
33516 COc1ccccc1C1CC(=Nc2nc(nn12)-n1c(O)ccc1O)c1ccc(Cl)cc1 |c:11|
33517 CN(C)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1
33518 COc1ccc(cc1)C1CC(=Nc2nc(nn12)-n1c(O)ccc1O)c1ccc(Br)cc1 |c:11|
33519 CCc1nnc(NC(=O)CCC(=O)N2CCCC2)s1
33520 COCCCN1C(C(C(=O)c2ccc(OCC=C)cc2)C(=O)C1=O)c1ccncc1
33521 CCCOc1cccc(c1)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
33522 Cc1cc2c(nc(C)nc2o1)-c1cnn(c1)-c1ccccc1
33523 COc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc3OCCOc3c2)n1Cc1ccco1
33524 CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cccc(C)c1
33525 OC(=O)Cc1ccccc1C(O)=O
33526 COc1ccc(cc1OC)N=C(NC(C)=O)Nc1nc(C)cc(C)n1 |w:10.10|
33527 CN1CC2(Cc3cc(C)ccc13)C(=O)OC1(CCCCC1)OC2=O
33528 COc1ccc(cc1OC)C1N(Cc2cccnc2)C(=O)c2[nH]nc(c12)-c1cc(Cl)c(C)cc1O
33529 COc1ccc(cc1OC)-c1nn2cnnc2s1
33530 CCCCN1C(=O)NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C23)C1=O
33531 COC(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)[nH]1
33532 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Oc1cc(=O)[nH]c2ccccc12
33533 CC1CCN(CC1)C(=O)NS(=O)(=O)c1ccc(C)cc1
33534 Clc1ccc(NC(=O)COC(=O)CCOc2ccccc2)nc1
33535 Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1
33536 Nc1nc(CN2CCCCC2)cs1
33537 COc1cc(ccc1NC(=O)COC(=O)c1ccccn1)S(=O)(=O)N1CCOCC1
33538 Cc1nnc(SCc2nnc(o2)-c2ccccc2Br)n1-c1ccccc1
33539 COc1cc(cc(OC)c1OC)C(=O)Nc1nc(cs1)-c1cccs1
33540 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1cccc(F)c1
33541 COC(=O)c1nnc(NC(=O)C(C)(C)C)[nH]1
33542 NC(=O)c1ccsc1NC(=O)c1nc(-c2ccccc2)n(n1)-c1ccccc1
33543 Cc1noc(C)c1CSc1nc2cc(ccc2c(=O)n1CC=C)C(O)=O
33544 Cc1ccc(C)n1-c1ccc(cc1)-c1nnco1
33545 Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(C)cc1
33546 CCOc1ccc(cc1OCC)C(=O)NCC(=O)OC(C)C(=O)NCc1ccco1
33547 O=C(CSC1CCCCC1)Nc1nccs1
33548 Cn1c2oc(=O)c(NC(=O)c3ccccc3Cl)cc2c(=O)n(C)c1=O
33549 CC(=N)C(C#N)C(=O)CSc1nc2cc(Cl)ccc2s1
33550 CCOC(=O)c1cnn(c1N)-c1ncnc2sc3CCCc3c12
33551 CCOC(=O)N1CCN(CC1)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCOCC1
33552 COc1cccc(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C
33553 CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCOCC1
33554 CCOC(=O)CSc1nnc(CNC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)n1C
33555 Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NCc1ccco1
33556 Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NCc1ccc2OCOc2c1
33557 CC(C)OCCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
33558 CS(=O)(=O)Nc1cccc(c1)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc12
33559 CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCCC1
33560 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)Nc1nc(cs1)-c1ccc(Cl)s1
33561 Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
33562 COc1cccc2cc(C(=O)NCC3CCCO3)c(=O)oc12
33563 Nc1nc(nn1C(=O)CCc1ccccc1)-c1ccco1
33564 Fc1ccc(cc1)C(CC(=O)N1CCOCC1)c1ccco1
33565 CCCc1nc(NC(C)=O)c(C#N)c(-c2ccco2)c1CC
33566 O=C(COc1ccc(cc1)S(=O)(=O)Nc1ccccc1)N1CCOCC1
33567 COc1ccccc1C(=O)n1nc(nc1NCc1ccco1)-c1ccccc1
33568 CCOc1ccc(NC(=O)C(C)O)c(NS(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1
33569 Cc1cc2ncn(c2cc1C)S(=O)(=O)N1CCOCC1
33570 CCOC(=O)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1cc(C)ccc1OC
33571 CN(C(=O)C1CCCN1S(=O)(=O)c1ccccc1)c1c(C)n(C)n(-c2ccccc2)c1=O
33572 Cc1cc(Nc2ccccc2)n(n1)-c1nc(C)cc(C)n1
33573 CCc1ccc(Nc2cc(O)n(c2O)-c2ccc(OC)cc2OC)cc1 |(7.16,8.71,;6.25,7.46,;6.88,6.06,;8.41,5.9,;9.04,4.49,;8.13,3.24,;8.76,1.84,;7.85,.59,;6.31,.59,;5.84,-.87,;4.37,-1.35,;7.08,-1.78,;8.33,-.87,;9.79,-1.35,;7.08,-3.32,;8.41,-4.09,;8.41,-5.63,;7.08,-6.4,;7.08,-7.94,;8.41,-8.71,;5.75,-5.63,;5.75,-4.09,;4.41,-3.32,;3.08,-4.09,;6.6,3.4,;5.97,4.81,)|
33574 CCC(=O)n1nc(nc1SCc1ccccc1)-c1ccco1
33575 COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)c1ccco1
33576 Nc1nc(nn1C(=O)c1cccnc1)-c1ccco1
33577 Oc1cccc(c1)-c1nc2ccccc2s1
33578 CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1N(C)S(C)(=O)=O
33579 O=C(CSc1nc2nc[nH]c2c(=O)[nH]1)NC1CCCCC1
33580 CC1CCN(CC(=O)Nc2ccccc2C#N)CC1
33581 COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1
33582 Fc1ccc(NC(=O)CSc2nnc(Cn3nnc(n3)-c3ccccc3)n2-c2ccccc2)cc1
33583 Nc1ncnc2nc(SCCN3CCCCC3)[nH]c12
33584 CCCC(=O)n1nc(nc1SC)-c1ccc(Cl)cc1
33585 Nc1nc(nn1C(=O)c1cccnc1)-c1ccc(Cl)cc1
33586 O=C(N1CCN(CC1)C(=O)c1ccco1)N1c2ccccc2Sc2ccccc12
33587 O=C(CSc1nc2ccccc2o1)c1cc2ccccc2oc1=O
33588 COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1cccc(c1)C(C)=O
33589 COc1ccc(CC(=O)n2nc(nc2NCc2ccco2)-c2ccccc2)cc1
33590 Nc1nncn1C(=O)CCc1ccccc1
33591 COc1ccc(OCC(=O)Nc2cccc3ncccc23)cc1
33592 CC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccccc1
33593 O=C(Nc1cccc2ccccc12)C1CCC(=O)N1
33594 CCC(=O)n1nc(nc1NCc1ccccc1)-c1ccccc1
33595 CC(Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)C(O)=O
33596 COCC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccccc1
33597 Cn1c(CN2CCCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12
33598 O=C(N1CCN(CC1)c1ccccn1)c1nc2ccccc2s1
33599 Cc1occc1C(=O)Nc1cc(ccc1Cl)C(F)(F)F
33600 COc1ccc(CNc2nc(nn2C(=O)c2ccco2)-c2cccnc2)cc1
33601 COc1ccccc1C(=O)n1nc(nc1N)-c1cccnc1
33602 Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:24|
33603 CCCC(=O)n1nc(nc1SCc1ccccc1)-c1ccco1
33604 Cc1ccnc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)c1
33605 COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc12
33606 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCc1ccc(C)cc1
33607 CCOc1ccc(OCC)c(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)c1
33608 CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCOCC1
33609 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1
33610 O=C(Cc1ccccc1)n1nc(nc1NCc1ccco1)-c1ccccc1
33611 O=C(c1ccccc1)n1nc(nc1NCc1ccco1)-c1ccccc1
33612 Clc1ccc2[nH]c(=O)c(N3CCOCC3)c(-c3ccccc3)c2c1
33613 Fc1ccc(cc1)-n1ncc2c1nc(SCC(=O)N1CCCCCC1)[nH]c2=O
33614 CCC(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
33615 CSC1=N\C(=C/c2ccc(C)o2)C(=O)S1 |t:2|
33616 Cc1c(sc(N)c1C#N)C(=O)N1CCC(CC1)C(N)=O
33617 CCC(=O)NC(Nc1nc(C)cc(C)n1)=Nc1cccc(OC)c1 |w:15.16|
33618 CC(N1C(=O)c2ccccc2C1=O)C(=O)NCc1ccccn1
33619 CCOc1cc(ccc1O)C1NC(=O)NC(O)(C1C(=O)c1ccc(Cl)cc1)C(F)(F)F
33620 O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccco1
33621 ON1C2=CC=CC(=N)C2=NC11CCCCC1 |c:4,9,t:2|
33622 CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
33623 COCCNC(=O)Cn1nc(cc1C)C(F)(F)F
33624 Cc1ccc2n3CCCNC4CCCc(c34)c2c1
33625 Cc1nnc2c(nc3ccccc3n12)-c1ccccc1
33626 CCc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccccc1F
33627 CCCCOC(=O)Sc1nc2ccccc2o1
33628 O=c1oc(nc2ccccc12)-c1cccnc1
33629 Cc1ccc(cc1)S(=O)(=O)N=Cc1ccco1 |w:10.10|
33630 CCSc1nnc(NC(=O)c2ccco2)s1
33631 CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cnc2cc(C)c(C)cc12
33632 CSc1nc(nn1C(=O)c1ccco1)-c1ccccc1
33633 CCC(=O)n1nc(nc1SC)-c1ccc(Cl)cc1
33634 COc1ccc(cc1)-n1nc(cc(-c2nc3ccccc3[nH]2)c1=N)C(=O)c1cccs1
33635 COc1ccc(OC)c(\C=C\c2nn(-c3ccc(Br)cc3)c3c2ccccc3=O)c1
33636 CCOc1cc(c(OCC)cc1-n1cnnn1)S(=O)(=O)NCc1ccc(OC)cc1
33637 COC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1
33638 CCOc1nc(NCCN2CCOCC2)nc(Nc2ccc(C)cc2)n1
33639 CCC(=O)NC(Nc1nc(C)cc(C)n1)=Nc1ccc(OC)cc1 |w:15.16|
33640 Clc1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1Cl
33641 NNC(=O)CN1C(c2ccccc2)c2cc(Br)ccc2NC1=O
33642 CSc1nc(nn1C(=O)c1ccco1)-c1ccc(Cl)cc1
33643 CCCC(=O)n1nc(nc1N)-c1ccco1
33644 CCCCc1nc2ccccc2c(NC(=O)CNC(C)(C)C)c1CCC
33645 CC(NC(=O)CN(C1CCCCC1)S(C)(=O)=O)c1ccccc1
33646 COc1ccc([CH+][N-]NS(=O)(=O)c2ccc(Cl)cc2)cc1COc1ccccc1[N+]([O-])=O
33647 COc1ccc(cc1)N(C(=O)c1ccco1)S(=O)(=O)c1ccc(F)cc1
33648 [Cl-].CC(O)Cc1cn(CC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)[C@H](C)n2cc(CCC\N=C(/N)[NH3+])nn2)nn1
33649 Cn1cc(cc1C(=O)NN=C(N)COc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl |w:9.9|
33650 O=C(CCc1ccccc1)n1nc(nc1SCc1ccccc1)-c1ccco1
33651 O=C(c1ccco1)n1nc(nc1SCc1ccccc1)-c1ccco1
33652 CC(=O)n1nc(nc1NCc1ccco1)-c1ccc(Cl)cc1
33653 COCC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccc(Cl)cc1
33654 CCN(CC)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3cccs3)c(=O)c2c1
33655 FC(F)(F)C1(N=C(Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)c1ccco1)C(F)(F)F |c:5|
33656 CCC(=O)n1nc(nc1NCc1ccccc1)-c1ccc(Cl)cc1
33657 COC(=O)c1c(C)nn(c1-n1cccc1)-c1ccccc1
33658 CSc1nc(nn1C(=O)CCc1ccccc1)-c1ccco1
33659 CCN1C(=S)N(\C(=C/N(C(C)=O)c2ccccc2)C1=O)c1ccccc1
33660 O=C(c1ccco1)n1nc(nc1SCc1ccccc1)-c1ccccc1
33661 COc1ccc(cc1)N(C(=O)c1ccco1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
33662 COc1ccc(cc1)N(C(=O)c1ccco1)S(=O)(=O)c1ccccc1
33663 OCCCCC\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
33664 CCOc1ccc(OCC)c(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1
33665 CCOC(=O)c1ccccc1Oc1c(F)c(F)nc(NCCO)c1F
33666 CCN(CC)S(=O)(=O)c1ccc2n(CC=C)cc(C(=O)NCc3ccc4OCOc4c3)c(=O)c2c1
33667 CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C
33668 Cn1cc(C(=O)NCc2cccs2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
33669 NC(=NOC(=O)c1cccc(Cl)c1)c1cccnc1 |w:2.2|
33670 O=C1NC2(CCCCC2)NN1c1ccccc1
33671 CCc1cccc(CC)c1NC(=O)c1cccc(N)c1
33672 CCN(CC)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccc4OCOc4c3)c(=O)c2c1
33673 CN1CC2(Cc3cc(C)ccc13)C(=O)OC(C)(C)OC2=O
33674 CN(C)CCCNc1c2CCCc2nc2c(c(C)nn12)-c1ccccc1
33675 Cc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12
33676 CC(C)c1ccc(cc1)-c1c(C#N)c(N)nc(SCC(=O)N2CCCCCC2)c1C#N
33677 [Br-].COc1ccc(cc1)-c1c[n+]2CC(=C3CCCCn1c23)c1ccccc1 |t:13|
33678 NC(=O)C(=NOC(=O)c1ccco1)c1nc(cs1)-c1ccc(Br)cc1 |w:4.4|
33679 NC(=O)c1ccsc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1
33680 COC(=O)c1ccc(Nc2cc(O)n(c2O)-c2ccccc2C)cc1 |(3.08,-7.66,;3.08,-6.12,;4.41,-5.35,;5.75,-6.12,;4.41,-3.81,;3.08,-3.04,;3.08,-1.5,;4.41,-.73,;4.41,.81,;5.75,1.58,;7.15,.96,;8.18,2.1,;9.72,1.94,;7.41,3.44,;5.91,3.12,;4.76,4.15,;8.04,4.84,;7.14,6.09,;7.76,7.5,;9.29,7.66,;10.2,6.41,;9.57,5,;10.48,3.76,;5.75,-1.5,;5.75,-3.04,)|
33681 Clc1cnc(NC(=O)COC(=O)CCc2ccccc2)c(Cl)c1
33682 [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc2C3CCCC3CN3CC4CCCC4c(c1)c23
33683 CC1=C(C(N2C(=O)CSC2=N1)c1ccc(O)cc1)C(=O)Nc1ccccc1 |c:10,t:1|
33684 FC(F)c1cc(C(F)F)n(CC(=O)NNC(=S)Nc2ccc(F)cc2)n1
33685 Oc1c(CC=C)cccc1C=NNC(=O)CNc1ccccc1 |w:11.12|
33686 Cc1sc(NC(=O)c2cccc(C)c2)c(C#N)c1-c1ccccc1
33687 Cc1ccnc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
33688 CCC(C)C1NC(=S)N(CC=C)C1=O
33689 Cc1cc(C)c2c3OC(=N)C(C#N)C(c3sc2n1)c1cccc(F)c1
33690 CCc1nccn1C(=O)c1cnn2c(cc(nc12)-c1ccccc1)C(F)F
33691 COc1cccc(c1)C(=O)n1c(SC)nc2cc3OCCOc3cc12
33692 CCOC(=O)c1sc(NC(=O)\C=C\c2cnn(C)c2C)c(C(=O)OCC)c1C
33693 CSc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1ccccc1
33694 COc1cc(OC)cc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
33695 COC(=O)c1nnc(NC(=O)c2ccccc2Cl)[nH]1
33696 CC(Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1)C(O)=O
33697 CCOC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)[nH]1
33698 CCOC(=O)CSc1nnc(NC(=O)c2cccc(c2)C(F)(F)F)[nH]1
33699 CC1(C)CN(N(C(=O)c2ccc(F)cc2)C1=O)c1ccccc1
33700 Cn1nc(c2cc(COc3ccc(F)cc3)sc12)C(F)(F)F
33701 COc1ccc(cc1)S(=O)(=O)CCc1nnc(NC(=O)c2cccs2)s1
33702 O=C(\C=C\c1ccccc1)n1cnnc1SCC#C
33703 [O-][N+](=O)c1ccccc1-c1nc2ccccc2c(=O)o1
33704 Cc1nc(NCCc2ccccc2F)c(C#N)c(C)c1[N+]([O-])=O
33705 Cc1ccc(cc1)C(=O)CSc1nc(C)cc(C)c1C(N)=O
33706 Cc1sc2nc(C)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C
33707 CCC(=O)n1nc(nc1SCC(=O)Nc1ccc(C)cc1)-c1ccccc1
33708 O=C(NNC(=O)c1cccs1)C(c1ccccc1)c1ccccc1
33709 CC1Cc2ccccc2N1C(=O)CSc1ncnc2n(ncc12)-c1ccccc1C
33710 COc1ccccc1NC(=O)c1sc2ncn(Cc3ccc(C)cc3)c(=O)c2c1C
33711 COc1ccccc1NC(=O)c1sc2ncn(Cc3cccc(C)c3)c(=O)c2c1C
33712 CCC(=O)Nc1ccc(cc1)C(=O)CSc1nc2ccccc2cc1CC
33713 Cc1ccc(C)c(NC(=O)C2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1
33714 Cc1ccc(cc1)N1CC(CC1=O)C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O
33715 [O-][N+](=O)c1cccc(NC(=O)CSc2nc(nn2C(=O)c2ccccc2)-c2ccccc2)c1
33716 CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)[nH]1
33717 CC(=O)n1nc(nc1SCC(=O)Nc1ccccc1)-c1cccc(C)c1
33718 Fc1ccc(NC(=O)c2ccc(nc2)-n2cncn2)c(F)c1
33719 Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccc(Br)cc3)sc2c1
33720 COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
33721 Cc1ccccc1NC(=O)Nc1ccccc1Br
33722 Cc1cc(C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)c2cccc(C)c2n1
33723 [O-][N+](=O)c1ccc(cc1)C(=O)n1nc(nc1NCc1ccccc1)-c1ccccc1
33724 CCOC(=O)C(C=Nc1cccc(C)c1C)C(=O)OCC |w:7.7|
33725 CC(=O)N1C(=O)C(=C2SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc12 |w:6.30|
33726 [O-][N+](=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1CCCCC1
33727 [O-][N+](=O)c1cccc(c1)C(=O)n1nc(nc1NCc1ccccc1)-c1ccccc1
33728 COC(=O)Cc1ccc(NC(=S)N2CCN(CC2)c2ccc(F)cc2)cc1
33729 COc1ccc2ncc(OC(C)=O)cc2c1
33730 CC(CO)(CO)NCc1ccc(cc1)-c1ccccc1
33731 Fc1ccc(NC(CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)cc1
33732 COc1cccc(c1)C(=O)NNC(=O)Cc1ccc(cc1)[N+]([O-])=O
33733 [O-][N+](=O)c1ccc(cc1)C(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccccc1
33734 [O-][N+](=O)c1ccc(cc1)-c1cc(=O)n2[nH]c(cc2n1)-c1ccc(Cl)cc1
33735 O=C(NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O)c1ccncc1 |w:4.3|
33736 CC(C)c1ccc(cc1)N(CC(=O)NN=Cc1ccc(OC2CSC2)cc1)S(=O)(=O)c1ccccc1 |w:14.14|
33737 Cc1cc(C)cc(OCC(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)c1
33738 Nc1nc2ccccc2n1C(=O)c1ccco1
33739 CCOC(=O)c1c(NC(=O)CCN2CCOCC2)scc1-c1ccc(C)cc1
33740 Cc1ccc(NC(=O)c2ccc(OC(=O)COc3cccc(Cl)c3)cc2)cc1
33741 COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O
33742 COCCCNC(=O)C(\NC(=O)c1cccs1)=C/c1cccn1C
33743 Cn1c(SCC(=O)N2c3ccccc3CCc3ccccc23)nnc1-c1cc2ccccc2cc1O
33744 CN1CCN(CC1)C(=O)\C=C(\C)C(O)=O
33745 COc1ccc(cc1)N1C(SCC1=O)c1cccc(OC)c1OC
33746 Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccccc3)sc2c1
33747 Brc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)nc1
33748 [O-][N+](=O)c1ccc(cc1)C(=O)C[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1
33749 CCCCc1c(C)nc2ccc(Br)cc2c1SCCC#N
33750 C=C(CCC(=O)c1ccccc1)C(=O)c1ccccc1
33751 [NH-]\C(=[NH+]/S(=O)(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O
33752 CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1
33753 O=C(CSc1nc2n[nH]cc2c(=O)[nH]1)N1CCCCC1
33754 CSCCC(NC(=O)c1cccc(C)c1)C(=O)OCC(=O)NC(=O)c1cccn1C
33755 Nc1nnc(SCCCC(=O)c2ccccc2)s1
33756 COc1cccc(c1)-n1c(SCC(=O)Nc2ccc3CCCc3c2)nc2ccccc2c1=O
33757 COc1cc(CCC(=O)Nc2cccc(c2)C(F)(F)F)cc(OC)c1OC
33758 CC(O)C(=O)NN=Cc1cccc2ccccc12 |w:6.5|
33759 Oc1c(C(=O)NN=Cc2cccc(F)c2)c(=O)[nH]c2ccccc12 |w:6.5|
33760 CCOC(=O)CSc1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)s1
33761 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccco4)n3N)cc2)nc(C)n1
33762 CCc1nnc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)s1
33763 C1CCc2nnc(-c3cc(nc4ccccc34)-c3ccncc3)n2CC1
33764 Cc1c(Cl)cnc(NC(=O)COC(=O)CCC(=O)c2cccs2)c1Cl
33765 CC(=NNC(=S)NC1CCCCC1)c1cccc(Br)c1 |w:2.2|
33766 COCCNc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1
33767 O=[#6](-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-c1cn(nc1-c1ccccc1)-c1ccccc1
33768 CC(C)(C)NC(=O)c1cc(ccc1N1CCCCC1)[N+]([O-])=O
33769 [O-][N+](=O)c1ccc(Cl)cc1NC(=O)COC(=O)Cn1cnc2ccccc2c1=O
33770 CCN(CC)S(=O)(=O)c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
33771 CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
33772 CCOc1cc(\C=C(\C#N)C(=O)NCC=C)cc(Cl)c1O
33773 Clc1ccc(cc1)-c1nn(cc1C(=O)NCc1ccccn1)-c1ccccc1
33774 COc1cc(OC)cc(c1)C(=O)NNC(=O)c1ccccc1Br
33775 CN(CC(=O)Nc1ccc(C)cc1)C(=O)CCC(=O)c1cccs1
33776 CCC(C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1)c1ccccc1
33777 O=C(N1CCOCC1)c1cc2ccccc2[nH]1
33778 CCN(CC)Cc1ccccc1Sc1ccccc1
33779 COC(=O)C1Cc2sccc2C(=O)C1
33780 CCn1ncc(Br)c1C(=O)Nc1cc(ccc1C)[N+]([O-])=O
33781 CN(C)C(=O)c1sc(NC(=O)c2ccc(c(C)c2)[N+]([O-])=O)nc1C
33782 COc1ccc(NC(=O)n2nc(OC(=O)c3cccs3)cc2N)cc1
33783 CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccc(C)cc1
33784 CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(c4)[N+]([O-])=O)cc3)sc2c1
33785 OC(=O)c1ccc(C=NNC(=O)c2ccc(F)cc2)cc1 |w:8.8|
33786 O=C(CCC1CCCN(C1)C(=O)C1(CC1)c1ccccc1)N1CCN(CC1)c1ccccn1
33787 COc1ccccc1N1CCN(CC1)C(=O)CNC(=O)c1cn(-c2ccccc2OC)c(=O)c2ccccc12
33788 COc1ccc(cc1S(=O)(=O)Nc1ccncc1)C(C)C
33789 CCC(=O)n1nc(nc1NCc1ccccc1)-c1cccnc1
33790 Cc1cccc(C)c1NC(=S)NN=Cc1c(Cl)cccc1Cl |w:12.12|
33791 CC(C)C(=O)n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1
33792 OC(=O)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccco1 |w:9.9|
33793 CCCC(=O)n1nc(nc1NCc1cccs1)-c1cccnc1
33794 COc1ccc(cc1)-n1c(O)c(C=Nc2ccccc2)c2ccccc2c1=O |w:13.14|
33795 CCOC(=O)CCNC(=O)N1CCCC(CNS(=O)(=O)c2cccs2)C1
33796 Clc1ccc2oc(c\c(=[NH+]/CCCN3CCOCC3)c2c1)-c1ccccc1
33797 CN(C)c1ccc(NC(=O)c2ccc(Cn3cc(cn3)[N+]([O-])=O)cc2)cc1
33798 COc1ccc(cc1)N1C(=S)N=C(Nc2ccccc2)C11CCCCC1 |t:12|
33799 O=C(NCc1ccccc1)c1nc(no1)-c1cccs1
33800 COCC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccc(C)cc1
33801 Cn1c(SCC(=O)c2ccc3OCC(=O)Nc3c2)nc2ccccc12
33802 COc1cccc(CN(C)C(=O)CCc2nnc(o2)-c2ccsc2)c1
33803 CCCC(C)C(=O)Nc1ccc(F)c(Cl)c1
33804 CCCN1CCC(CC1)N1CCCC(C1)C(O)=O
33805 CCC(=O)Nc1cccc(c1)C(=O)OCc1cccc(c1)[N+]([O-])=O
33806 CC(=O)n1nc(nc1NCc1ccco1)-c1ccc(C)cc1
33807 CCC(=O)n1nc(nc1NCc1cccs1)-c1cccnc1
33808 CC(C)C(=O)n1nc(nc1NCc1cccs1)-c1cccnc1
33809 O=C(c1ccco1)n1nc(nc1NCc1ccccc1)-c1cccnc1
33810 COc1ccc(CNc2nc(nn2C(C)=O)-c2cccnc2)cc1
33811 CCCC(=O)n1nc(nc1NCc1ccc(OC)cc1)-c1cccnc1
33812 CCC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1
33813 COCC(=O)n1nc(nc1NCc1ccccc1)-c1ccccc1
33814 [H]C12NC(=S)N(c3ccc(C)cc3)C(C)(Oc3ccccc13)C2C(=O)N(C)C |TLB:20:21:22:5.2.3,THB:6:5:22:15.21.16|
33815 CC(C)Oc1ccc(cc1)N1CC(CC1=O)C(=O)NC1=NCCS1 |t:21|
33816 CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
33817 CN1C(=O)C(=NNc2ccc(cc2)S(N)(=O)=O)C(C)=C(C#N)C1=O |w:5.5,t:19|
33818 Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1ccccc1)C#N
33819 Cc1cccc(NC(=S)NC23CN4CN(CN(C4)C2)C3)c1 |TLB:19:10:17:14.13.15,THB:9:10:17:14.13.15,9:10:12.13.17:15,11:12:10.19.18:15,11:10:12.13.17:15|
33820 CCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
33821 Cc1cccc(NC(=S)NC(=O)C=Cc2ccccc2)n1 |w:13.13|
33822 OC(=O)c1ccccc1SCC(=O)N1CCOCC1
33823 S=C(NCC1CCCO1)NCc1cccs1
33824 Oc1ccc(Cl)cc1C=Cc1ccc2cccc(O)c2n1
33825 Nc1nc(nn1C(=O)c1ccccc1Cl)-c1cccnc1
33826 CCc1ccc(cc1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
33827 Cc1ccc(cc1)C(=O)N1C2CCCCC2NC(=O)C1CC(=O)Nc1ccc(Cl)cc1
33828 CC(=O)n1nc(nc1NCc1cccs1)-c1ccccc1
33829 Cc1ccc(cc1)C1CC(=Nc2nc(nn12)-n1c(O)ccc1O)c1ccccc1 |c:10|
33830 CCCC(=O)n1nc(nc1NCc1ccco1)-c1ccc(C)cc1
33831 COCC(=O)n1nc(nc1NCc1cccs1)-c1ccccc1
33832 COc1ccccc1C(=O)n1nc(nc1NCc1ccccc1)-c1cccnc1
33833 CCCC(=O)n1nc(nc1NCc1ccccc1)-c1cccnc1
33834 CN(C)c1ccc(CNc2nc(nn2C(C)=O)-c2ccccc2)cc1
33835 O=C(c1cccs1)n1nc(nc1NCc1ccco1)-c1cccnc1
33836 O=C(c1cccnc1)n1nc(nc1NCc1cccs1)-c1ccco1
33837 CCC(=O)n1nc(nc1NCc1cccs1)-c1ccc(OC)cc1
33838 CC(=O)n1nc(nc1NCc1ccc(F)cc1)-c1ccc(C)cc1
33839 Cc1ccccc1NC(=O)c1ccc(NC(=O)C2CC(=O)OC22CCCCC2)cc1
33840 CCC(C)NCCOc1ccc(C)cc1[N+]([O-])=O
33841 CCC(C)NCCOc1cc(C)cc(C)c1C
33842 Clc1cc(Cl)c(OCC(=O)N2CCN(CC2)c2ccccn2)cc1Cl
33843 Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1cccnc1
33844 COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1
33845 COc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1
33846 CC(C)CCN1CCN(CC1CCO)C1CCN(CC1)c1ccc(F)cc1C
33847 CN(Cc1nc(no1)-c1ccc(Cl)cc1)Cc1ccccn1
33848 CCN(CC(C)=C)C(=O)CC1N(CC(C)(C)C)CCNC1=O
33849 COC(c1nnc(CCC(=O)N(C)Cc2cccc(c2)-n2cccn2)o1)c1ccccc1
33850 Cc1nn(C)cc1CN1CCC(CO)(CCOc2ccccc2)CC1
33851 CCN(CC)CCCN(Cc1cc2cc3OCOc3cc2[nH]c1=O)C(=S)Nc1ccccc1OC
33852 CCOC(=O)C1=C(C)OC(=[NH2+])[C-](C#N)C1c1cc2OCOc2cc1[N+]([O-])=O |c:5|
33853 COc1ccc(OCC(=O)N2CCN(Cc3ccc(SC)cc3)CC2)cc1
33854 NC(=O)NN=CC=Cc1ccccc1 |w:4.3,7.7|
33855 COc1ccc(CNc2nc(nn2C(=O)C(C)C)-c2cccnc2)cc1
33856 Nc1nc(nn1C(=O)c1ccccc1Cl)-c1ccco1
33857 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccco1
33858 COc1ccc(cc1)-c1ccc(CCC(O)=O)n1-c1ccccc1O |(18.7,1.16,;17.56,.13,;16.09,.6,;14.95,-.43,;13.48,.05,;13.16,1.55,;14.31,2.58,;15.77,2.11,;11.7,2.03,;11.22,3.49,;9.68,3.49,;9.21,2.03,;7.74,1.55,;6.6,2.58,;5.13,2.11,;3.99,3.14,;4.81,.6,;10.45,1.13,;10.45,-.41,;11.79,-1.18,;11.79,-2.72,;10.45,-3.49,;9.12,-2.72,;9.12,-1.18,;7.78,-.41,)|
33859 CC(=O)NNC(=S)NC(=O)c1ccccc1
33860 CCn1c(SCC(N)=O)nnc1C(C)C
33861 CSc1nc(nc(N2CCOCC2)c1C(C)=O)-c1ccccc1
33862 COc1cccc(NC(=S)N(CCCN2CCCC2)Cc2ccco2)c1
33863 Cc1ccc(OCc2n[nH]c(=S)n2N)cc1C
33864 COc1ccc(CN2C(C(=O)NC3CCCCCC3)c3ccccc3C2=O)c(OC)c1
33865 COc1ccc(CNc2nc(nn2C(=O)CC(C)C)-c2cccnc2)cc1
33866 O=C(c1ccco1)n1nc(nc1NCc1ccco1)-c1cccnc1
33867 CCOc1ccc(NC(=O)c2ccc(CNc3c(N4CCCC4)c(=O)c3=O)cc2)cc1
33868 COc1ccc(cc1OC)C1C(=O)c2ccccc2C1=O
33869 CCN(CC)C(=O)Cn1cc(C(=O)C(=O)NCCCn2ccnc2)c2ccccc12
33870 CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cn2CCSc2n1
33871 CC(=O)N1N2ON=C(N2c2ccccc12)c1c(C)c(C)cc(C)c1C |c:6|
33872 CCOc1ccccc1C(=O)Nc1nnc(SCC(=O)N2CCOCC2)s1
33873 OC(=O)C1CCN(CC1)c1ccc(Cl)nn1
33874 Fc1ccc(Oc2cnc3ccccc3n2)cc1
33875 Clc1ncc(COc2ccc(C=NNC(=O)c3ccncc3)cc2)s1 |w:12.12|
33876 CCOC(=O)CSC1=N\C(=C\c2ccc(cc2)-n2cncn2)C(=O)N1C(C)=O |t:7|
33877 OC(=O)CSCC(=O)NCc1cccc(c1)C(F)(F)F
33878 CC(=O)OCC1(C)CN(N(C(=O)c2ccc(cc2)C(C)(C)C)C1=O)c1ccccc1
33879 Cc1nc2cc(NC(=O)N(CC=C)c3ccccc3)ccc2n1C
33880 Cc1ccc(NCC(O)C(O)C(O)CO)c(\N=N\c2ccccc2)c1C
33881 Cc1c(Cl)cccc1NC(=O)Cc1ccc(cc1)[N+]([O-])=O
33882 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
33883 COc1ccccc1CNC(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N1CCCC1
33884 Cn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
33885 CCN(CC)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccco3)c(=O)c2c1
33886 COc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)cc1OC |(3.08,5.78,;4.41,6.55,;5.75,5.78,;5.75,4.24,;7.08,3.47,;8.41,4.24,;9.75,3.47,;9.75,1.93,;11.08,1.16,;11.08,-.39,;9.75,-1.16,;12.42,-1.16,;13.75,-.39,;15.08,-1.16,;15.08,-2.7,;16.42,-3.47,;16.42,-5.01,;17.75,-5.78,;16.98,-7.11,;18.52,-4.44,;19.08,-6.55,;19.08,-8.09,;20.42,-8.86,;21.75,-8.09,;21.75,-6.55,;20.42,-5.78,;13.75,-3.47,;12.42,-2.7,;8.41,5.78,;7.08,6.55,;7.08,8.09,;8.41,8.86,)|
33887 NC(=O)Cc1nnc(N)s1
33888 [O-][N+](=O)c1ccccc1NC(=O)COC(=O)CCC(=O)c1cccs1
33889 O=C(Nc1ccccc1N1CCOCC1)c1ccc2nc[nH]c2c1
33890 [O-][N+](=O)c1ccccc1OCC(=O)OCC(=O)Nc1ccccc1C#N
33891 [#6]-[#8]-[#6]-[#6]-[#7]-[#6](=S)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
33892 [O-][N+](=O)c1cc(ccc1N1CCCCC1)C(=O)N(c1ccccn1)c1ccccn1
33893 CCN1CCN(CC1)C(=O)c1cc(Oc2c(F)c(F)c(F)c(F)c2F)cc(c1)C(=O)N1CCN(CC)CC1
33894 CCc1nc2ccccc2c(C(=O)OCC(=O)C(C)(C)C)c1C
33895 Clc1ccccc1C(=O)NC(=S)Nn1cnnc1
33896 COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1
33897 CC1CCc2c(C1)sc(NC(=O)COC(=O)C1CCCO1)c2C#N
33898 Cc1ccccc1NC(=O)CCl
33899 CC(C)c1ccc(NC(=O)COc2ccccn2)cc1
33900 CCN1CCN(CC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
33901 CC(NC(=O)c1ccc(C)s1)C(N1CCCC1)c1cccs1
33902 COC(=O)c1nnc(NC(=O)c2ccc(cc2)C(C)(C)C)[nH]1
33903 CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
33904 OC(=O)c1cc(ccc1NCc1ccccc1Cl)[N+]([O-])=O
33905 Oc1ccc(Br)cc1C(=O)OCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1
33906 COc1ccc(cc1)C(=O)n1ncc(C#N)c1N
33907 OC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1
33908 COc1ccc(NC(=O)Cc2ccccc2F)cn1
33909 COc1ccc(cc1NC(=O)COC(=O)c1ccc(C)s1)S(=O)(=O)N1CCOCC1
33910 Cc1ccc(NC(=O)c2ccc3ccccc3n2)cc1S(=O)(=O)N1CCOCC1
33911 Cc1csc(SCC(=O)NCc2ccccc2Cl)n1
33912 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)OCC(=O)NCCc1ccc(Cl)cc1 |TLB:5:3:11:6.9.8,THB:7:6:11:3.12.2,5:6:11:3.12.2,2:3:9:1.11.8|
33913 Cc1c(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)OCC(=O)NCc2ccco2)c(=O)n(-c2ccccc2)n1C
33914 O=C(COC(=O)c1n[nH]c2ccccc12)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
33915 CC(=O)c1ccc(O)c(CSC2=NCCS2)c1 |t:11|
33916 COc1ccc(cc1)C1CC(=NN1C(=O)CN1CCN(Cc2ccccc2)CC1)c1ccccc1 |c:11|
33917 O=C(Nc1nc(cs1)-c1cccs1)c1ccco1
33918 Cc1c(NC(=O)CS(=O)(=O)c2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C
33919 COc1cc(ccc1NC(=O)COC(=O)COc1ccccc1)S(=O)(=O)N1CCOCC1
33920 CC(C)c1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1
33921 Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)N1CCOCC1
33922 CC(Sc1nncn1C)C(=O)NCc1ccc2OCOc2c1
33923 CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
33924 Oc1ccc(cc1)C(=O)OCC(=O)NCCCc1ccccc1
33925 Cc1ccc(C)c(c1)S(=O)(=O)NCCCN1CCOCC1
33926 CCc1nc2sccc2c(=O)[nH]1
33927 ClC1(Cl)CC1CSc1nnc[nH]1
33928 CN(C)CCCNc1ncnc2sc(cc12)-c1ccccc1
33929 COc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1
33930 COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1
33931 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)NCc1ccccc1)c1coc2ccccc2c1=O |c:9|
33932 Oc1ccc(cc1)-c1nc2ccccc2s1
33933 Nc1cccc2C(=O)N(C(=O)c3ccco3)C(=O)c12
33934 CCOC(=O)C(CC)(CCC(=O)OC)c1csc(Nc2ccccc2O)n1
33935 COc1ccc(cc1CNC(=O)C1CCCCC1)-c1nn(C)c(=O)c2ccccc12
33936 CC(C)NC(=O)c1ccc(cc1)C(C)C
33937 Cc1cccc(Nc2nc(N)nc(CCl)n2)c1
33938 CC(N=Nc1ccc(Cl)c(c1)C(O)=O)c1cccc(c1)[N+]([O-])=O |w:3.3|
33939 NC(=O)c1c(NC(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)sc2CCCCc12
33940 CCOc1ccc(cc1)C1CC(=O)N(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C1=O
33941 Oc1cccc2C(=O)C(=O)CC(=O)c12
33942 Cc1cc(=O)[nH]c(SCC(=O)NCC2CCCO2)n1
33943 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)\[NH+]=C1\CCCCC[N-]1
33944 [H][C@@]12CC[C@]3(C)C(C=C[C@]45OC[C@@]6(CC[C@@H](C)C(C)C46)[C@H](O)C[C@@]35C)[C@@]1(C)CC[C@H](OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)C2(C)C |c:7|
33945 [O-][N+](=O)c1ccc(cc1)-c1nnc(CSc2n[nH]c(=O)n2C2CCCCC2)o1
33946 Oc1ccc(CCC(=O)NN=Cc2coc3ccccc3c2=O)cc1 |w:10.9|
33947 COc1cccc(c1)C(=O)Nc1nnc(SCc2ccc(Cl)cc2)[nH]1
33948 COc1cccc(NC(=S)Nc2ccc(Br)cc2Cl)c1
33949 Cc1ccc(cc1)S(=O)(=O)Nc1cccnc1Oc1ccc(Cl)cc1
33950 Cn1nccc1-c1cc(Cl)cc(Cl)c1O
33951 COc1ccc(C=NNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1 |w:7.7|
33952 Cn1c(SCC(=O)NNC(=S)Nc2ccccc2)nnc1-c1ccncc1
33953 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(O)c(O)c1
33954 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccccc1
33955 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(C)cc1
33956 COc1ccc(cc1)C(=O)N\N=C\c1c(OC)ccc2ccccc12
33957 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(cc1)N(C)C
33958 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(cc1)C(C)(C)C
33959 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(cc1)-c1ccccc1
33960 COc1ccc2ccccc2c1\C=N\NC(=O)c1ccc(Oc2ccccc2)cc1
33961 COc1ccc2ccccc2c1\C=N\NC(=O)C1CCC(CC1)c1ccc(Cl)cc1 |(-7.76,3.32,;-9.3,3.33,;-10.06,4.66,;-11.6,4.67,;-12.37,6,;-11.59,7.34,;-12.36,8.67,;-11.58,10,;-10.04,10,;-9.28,8.66,;-10.05,7.33,;-9.29,5.99,;-7.75,5.99,;-6.98,4.66,;-5.44,4.66,;-4.67,3.33,;-5.44,1.99,;-3.13,3.33,;-2.3,4.63,;-.76,4.56,;-.05,3.2,;-.87,1.9,;-2.41,1.96,;1.49,3.14,;2.2,4.51,;3.74,4.57,;4.57,3.28,;6.11,3.34,;3.86,1.91,;2.32,1.84,)|
33963 Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C
33964 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cccc3ccccc23)c2ccccc12 |t:9|
33965 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2n[nH]c3ccccc23)c2ccccc12 |t:9|
33966 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2csc3ccccc23)c2ccccc12 |t:9|
33967 CN(C)CCOc1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
33968 CN(C)CCOc1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:9|
33969 CN1CCN(CC1)c1cccc(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:15|
33970 CN1CCN(CC1)c1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2c1 |t:11|
33971 CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 |t:11|
33972 O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1nc(nc2ccccc12)N1CCOCC1 |c:5|
33973 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#CCO
33974 CCCCC#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
33975 CC(C)CC#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
33976 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#CC1CCCCC1
33977 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1
33978 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccs1
33979 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccsc1
33980 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#C
33981 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1Cl
33982 Cc1ccccc1C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
33983 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccccc1C(F)(F)F
33984 COc1ccccc1C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
33985 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccc(Cl)c1
33986 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1cccc(c1)C(F)(F)F
33987 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
33988 Cc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
33989 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(F)(F)F
33990 COc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)S(C)(=O)=O
33991 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(N)cc1
33992 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(O)=O
33993 CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(Cl)c1
33994 Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)c1ccccn1
33995 Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)c1ccco1
33996 Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)C1CCCO1
33997 CC(=O)OCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
33998 OCC(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
33999 COC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
34000 COC(=O)C(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCN(CC1)c1ccccc1C#N)-c1ccc(Cl)c(C)c1
34001 OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1 |r|
34003 OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OCCCCc1ccccc1 |r|
34004 OS(=O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 |r|
34005 OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1 |r|
34006 OP(O)(=O)OC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 |r|
34007 OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1 |r|
34008 OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
34009 OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
34010 OP(O)(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1 |r|
34011 OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1ccc2ccccc2c1 |r|
34012 OP(O)(=O)OC[C@@H](Cc1cccc(F)c1)NC(=O)c1cc2ccccc2s1 |r|
34013 Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2ccc3ccccc3c2)c1 |r|
34014 Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2cc3ccccc3s2)c1 |r|
34015 OP(O)(=O)OC[C@@H](Cc1cccc(F)c1F)NC(=O)c1ccc2ccccc2c1 |r|
34016 OP(O)(=O)OC[C@@H](Cc1cccc(F)c1F)NC(=O)c1cc2ccccc2s1 |r|
34017 Cc1oc(nc1CCOc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34018 Cc1oc(nc1CC#Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34019 Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
34020 Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2ccc(cc2)-c2ccccc2)cc1)-c1ccccc1
34021 Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
34022 CN(CC#Cc1ccc(CC(C(O)=O)n2cccc2)cc1)c1ccccn1
34023 CN(CC#Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1 |r|
34024 CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccn1 |r|
34025 Cc1oc(nc1C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34026 Cc1oc(nc1C\C=C\c1ccc(C[C@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34027 CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1 |r|
34028 Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34029 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
34030 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccc(cc2)-c2ccccc2)cc1)-c1ccccc1
34031 Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
34032 CN(CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccn1 |r|
34033 CN(CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1 |r|
34034 Cc1oc(nc1CCNc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34035 Cc1oc(nc1CNCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1 |r|
34036 CN(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1 |r|
34037 CC(=O)N(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1 |r|
34038 Ic1c(I)c(I)c2[nH]cnc2c1I
34039 Clc1c(I)c(I)c2nc[nH]c2c1I
34040 Brc1c(I)c(I)c2[nH]cnc2c1I
34041 Clc1c(Cl)c(I)c2[nH]cnc2c1I
34042 Clc1c(I)c(Cl)c2nc[nH]c2c1I
34043 Brc1c(I)c(Br)c2nc[nH]c2c1I
34044 Cc1nc2c(I)c(I)c(I)c(I)c2[nH]1
34045 Cc1nc2c(I)c(Cl)c(Cl)c(I)c2[nH]1
34046 CCc1nc2c(I)c(I)c(I)c(I)c2[nH]1
34047 FC(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
34048 FC(F)(F)C(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1
34049 Clc1nc2c(I)c(I)c(I)c(I)c2[nH]1
34050 Brc1nc2c(I)c(I)c(I)c(I)c2[nH]1
34051 OCCNc1nc2c(I)c(I)c(I)c(I)c2[nH]1
34052 Ic1c(I)c(I)c2[nH]c(=S)[nH]c2c1I
34053 OC(=O)CSc1nc2c(I)c(I)c(I)c(I)c2[nH]1
34054 Ic1c(I)c(I)c2[nH]c(=O)[nH]c2c1I
34055 OC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
34056 NC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
34057 CNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
34058 NNC(=O)Cn1cnc2c(I)c(I)c(I)c(I)c12
34059 OC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
34060 NC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
34061 CNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
34062 NNC(=O)Cn1cnc2c(Br)c(Br)c(Br)c(Br)c12
34063 [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=O)-[#7]-c2ccc(cc2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])cc1 |w:2.2,23.24|
34064 NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
34065 [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cccc(-[#7]-[#6](=O)-[#7]-c2cccc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])c1 |w:2.2,24.25|
34066 [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cccc(-[#7]-[#6](=S)-[#7]-c2cccc(c2)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7])c1 |w:2.2,24.25|
34067 [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(cc1)-[#6](-[#6])=[#7]\[#7]=[#6](/[#7])-[#7] |w:2.2,15.16|
34068 [#6]-[#6](-[#6]=[#7]\[#7]=[#6](/[#7])-[#7])=[#7]-[#7]-[#6](-[#7])=[#7] |w:8.8,2.1|
34069 [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1ccc(-[#7]-[#6](=S)-[#7]-c2ccccc2)cc1 |w:2.2|
34070 CNC(=O)Nc1ccc(cc1)C(C)=NNC(N)=S |w:13.14|
34071 Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F
34072 Cn1ccnc1Sc1cc(C(=O)Nc2cccc(N)c2)c(N)cc1F
34073 Nc1cccc(NC(=O)c2cc(Sc3nccs3)c(F)cc2N)c1
34074 Cc1csc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1
34075 Nc1cccc(NC(=O)c2cc(Sc3nncs3)c(F)cc2N)c1
34076 Nc1cccc(NC(=O)c2cc(Sc3ccccn3)c(F)cc2N)c1
34077 Cc1cc(C)nc(Sc2cc(C(=O)Nc3cccc(N)c3)c(N)cc2F)n1
34078 Cn1ccnc1Sc1cc(NC(=O)c2cccc(N)c2)c(N)cc1F
34079 Cn1ccnc1Sc1cc(C(=O)Nc2cccc(CN)c2)c(N)cc1F
34080 Cn1ccnc1Sc1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c(N)cc1F
34081 Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(c1)C(F)(F)F
34082 Cc1csc(Sc2cc(C(=O)Nc3cccc(c3)C(F)(F)F)c(N)cc2F)n1
34083 Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(c1)C(F)(F)F
34084 Cn1ccnc1Sc1cc(C(=O)Nc2cccc(c2)C#N)c(N)cc1F
34085 Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(c1)C#N
34086 Cc1csc(Sc2cc(C(=O)Nc3cccc(c3)C#N)c(N)cc2F)n1
34087 Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(c1)C#N
34088 Cc1cc(C)nc(Sc2cc(C(=O)Nc3cccc(c3)C#N)c(N)cc2F)n1
34089 Cn1ccnc1Sc1cc(C(=O)Nc2cccc(F)c2)c(N)cc1F
34090 Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(F)c1
34091 Nc1cc(F)c(Sc2nncs2)cc1C(=O)Nc1cccc(F)c1
34092 Nc1cc(F)c(Sc2ccccn2)cc1C(=O)Nc1cccc(F)c1
34093 Nc1cc(F)c(Sc2nc3ccccc3o2)cc1C(=O)Nc1cccc(F)c1
34094 COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1
34095 COc1cccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)c1
34096 COc1ccc(NC(=O)c2cc(Sc3nccn3C)c(F)cc2N)cc1OC
34097 Nc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
34098 Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C(F)(F)F)CC1
34099 Fc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2F)c1
34100 Fc1ccccc1N1CCN(CC(=O)Nc2cccc(c2)C#N)CC1
34101 COc1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2F)cc1OC
34102 COc1cccc(NC(=O)c2cccc(c2)C(=O)Nc2cccc(OC)c2)c1
34103 OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
34104 COc1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1OC
34105 COc1ccc(NC(=O)c2cccc(c2)C(=O)Nc2ccc(OC)cc2)cc1
34106 COc1ccc(cc1)C1=NO[C@@]2(C1)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |t:9|
34107 Cc1ccc(cc1)C1=NO[C@@]2(C1)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |t:8|
34108 OC[C@H]1O[C@@]2(CC(=NO2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |c:6|
34109 OC[C@H]1O[C@@]2(CC(=NO2)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |c:6|
34110 OC[C@H]1O[C@@]2(CC(=NO2)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O |c:6|
34111 Oc1ccc(O)c(Cc2ccccc2)c1
34112 Oc1ccc(O)c(Cc2ccc(cc2)[N+]([O-])=O)c1
34113 COc1ccc(Cc2cc(O)ccc2O)cc1
34114 Oc1ccc(O)c(Cc2ccco2)c1
34115 CCC(C)(C)c1cc(O)c(Cc2ccc(cc2)[N+]([O-])=O)cc1O
34116 CCC(C)(CC)c1cc(O)c(Cc2ccc(cc2)[N+]([O-])=O)cc1O
34117 CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC
34118 CCC(C)(CC)c1cc(O)c(cc1O)C(C)(CC)CC
34119 CCC(CC)(CC)c1cc(O)c(cc1O)C(CC)(CC)CC
34120 Oc1cc(CC=C)c(O)cc1CC=C
34121 CC(C)(C)OC(=O)NCCCC(=O)Oc1cc(c(O)cc1C(C)(C)C)C(C)(C)C
34122 CC(C)(C)c1cc(OC(=O)CCCN)c(cc1O)C(C)(C)C
34123 CC(C)Cc1ccc(CC(C)C)c(O)c1
34124 Oc1ccc(O)c(c1)C1CCCCCCC1
34125 Oc1ccc(O)c(c1)-c1ccccc1
34126 Cc1cc(cc(C)c1O)C(C)(C)c1cc(C)c(O)c(C)c1
34127 CC(C)(C)c1cc2CCCc2cc1O
34128 CC(c1ccccc1)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
34129 COc1ccc(cc1)C(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
34130 COc1ccc(cc1)C(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
34131 CC(C)(C)c1ccc(O)c(Cc2cc(ccc2O)C(C)(C)C)c1
34132 CC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
34133 CCC(C)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
34134 Oc1cc(Cc2ccccc2)c(O)cc1Cc1ccccc1
34135 Oc1ccc2ccccc2c1Cc1cccc2ccccc12
34136 Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
34137 CC(C(C)c1ccc(O)cc1)c1ccc(O)cc1
34138 Oc1cc(Cc2ccccc2)c(Cc2ccccc2)cc1O
34139 CC(C)CCCCCCc1ccc(O)cc1
34140 CC(C)(C)c1ccc(O)c(c1)C(c1cc(ccc1O)C(C)(C)C)c1cc(ccc1O)C(C)(C)C
34141 COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
34142 CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
34143 CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
34144 [H][C@]1(Cc2c[nH]c3ccc(NS(=O)(=O)c4ccccc4I)cc23)CCCN1 |r|
34145 [H][C@]1(Cc2c[nH]c3ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)cc23)CCCN1C |r|
34146 [H][C@@]1(Cc2c[nH]c3ccc(NS(=O)(=O)c4ccc(cc4)C(F)(F)F)cc23)CCCN1C |r|
34147 CN1CCC(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br
34148 O=S(=O)(c1ccccc1)n1cc(C2CCCNC2)c2ccccc12
34149 CN(C)Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
34150 Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
34151 Nc1ccc(cc1)S(=O)(=O)n1ccc2ccccc12
34152 CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
34153 CN(C)CCC1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:5|
34154 CN(C)CCC1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:5|
34155 CN1CCC(C1)C1=C(C)Cc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 |c:7|
34156 CN1CCC(C1)C1=CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:7|
34157 CN1CCCC(C1)C1=C(C)Cc2ccc(NS(=O)(=O)c3sc4ccc(Cl)cc4c3C)cc12 |c:8|
34158 CN1CCCC(C1)C1=C(C)Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |c:8|
34159 CC1=Cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1 |t:1|
34160 CC1=Cc2cccc(NS(=O)(=O)c3c(Cl)nc4sccn34)c2C1 |t:1|
34161 CC1=CC(C)(C)c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12 |t:1|
34162 COc1cc2CC(C)=C(C)c2cc1NS(=O)(=O)c1c(Cl)nc2sccn12 |t:7|
34163 Nc1sc(=S)c2CN(Cc3ccccc3)CCc2c1C#N
34164 COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccc(F)cc1
34165 Cc1nn(C)c(C)c1NC(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1F
34166 Nc1ccc(cc1N1CCCCC1)N1CCCCC1
34167 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(Cl)c1Cl |c:4|
34168 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
34169 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](C2C1)c1cccc(Cl)c1 |c:4|
34170 CCn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
34171 COC(=O)Cn1c2CCCCc2c2cc(C)ccc12
34172 CCSc1nnc(NC(=O)C(C(F)(F)F)C(F)(F)F)s1
34173 Clc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncccn1
34174 COc1ccc(cc1)-c1nnc2sc(nn12)-c1c(OC)cccc1OC
34175 CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccc(Cl)cc1Cl
34176 COc1ccc2[nH]c(=O)c(cc2c1)-c1noc(n1)-c1ccccc1
34177 C1C(c2ccco2)n2ncnc2N=C1c1ccc(cc1)-c1ccccc1 |c:14|
34178 COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
34179 NC(=O)N1c2ccccc2CC(=O)c2ccccc12
34180 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
34181 CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccc(OC)c1OC |c:6|
34182 O=c1[nH]c(Nc2ccccc2)cc2ccccc12
34183 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
34184 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cn1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
34185 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)c1
34186 COCCn1cnc2cc(C)c(C)cc12
34187 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccccc1O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
34188 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
34189 CC1CCN(Cc2ccc(NC(=O)C3CCN(CC3)c3nnc(s3)-n3cccc3)cc2)CC1
34190 OCCCc1nc2N=C(CC(c3cccs3)n2n1)c1ccccc1 |c:7|
34191 COc1ccccc1C(=O)C1Nc2ccccc2-c2nnc(SC)nc2O1
34192 Brc1ccc(cc1)-c1nnc2ccc(nn12)N1CCN(CC1)c1ccccc1
34193 Cc1cc(C)c2c3n(C)c(=O)n(C)c(=O)c3c(-c3ccccc3)n2n1
34194 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
34195 Brc1cccc(NC(=O)c2cc3ccccc3o2)c1
34196 Nc1ccc(C2CCCc3nonc23)c2nonc12
34197 Oc1c(C(=O)NCCc2ccccc2)c(=O)c2cccc3CCn1c23
34198 COc1ccc(Cn2nnnc2C(N2CCN(CC2)c2ccc(O)cc2)c2cccnc2)cc1
34199 CC(C)CSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(C)cc1
34200 COc1ccc(CCNC(=O)c2c(O)n3CCc4cccc(c34)c2=O)cc1
34201 COc1ccc(OC)c(Nc2nc(cs2)-c2ccc(O)c(O)c2)c1
34202 Cc1ccc2c(SCC(=O)NCc3ccco3)nc(nc2c1)-c1ccc(F)cc1
34203 COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3OCOc3cc2[nH]c1=O)C1CCCCC1
34204 CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
34205 CC(C)c1nnc(NC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)s1
34206 Nc1sc2CCCc2c1C(=O)NC1CCS(=O)(=O)C1
34207 COc1ccc2[nH]c(=O)c(CN(C(C(C)C)c3nnnn3Cc3ccco3)C3CCCCC3)cc2c1
34208 CC1CCc2c(C1)sc1nc(nc(SCC(=O)Nc3cc(C)on3)c21)C1CC1
34209 Cc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)cc1C
34210 COC(=O)c1cccc(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:15|
34211 COc1ccccc1\N=c1/oc2c(OC)cccc2cc1C(=O)NCc1ccco1
34212 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)CC
34213 COC(=O)Oc1nsnc1N1CCOCC1
34214 CCn1c(SCC=C)nc2n(C)c(=O)[nH]c(=O)c12
34215 O=C(CSc1nnc(NC(=O)c2cccs2)s1)N1CCCCC1
34216 Cc1sc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2c1C
34217 CC1CCCCN1C(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)C1CC1
34218 CC1=C(SCCC#N)S\C(S1)=C1/SC(C)=C(SCCC#N)S1 |c:1,t:15|
34219 Cn1c2nc(SCCN3CCCCC3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O
34220 O=C(CSc1nnc[nH]1)c1ccccc1
34221 Cc1cc(C)n2c(n[nH]c2=S)n1
34222 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2)cc1
34223 CC(C)n1c(SCC=C)nc2n(C)c(=O)[nH]c(=O)c12
34224 CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc1cccc2ccccc12
34225 Cc1ccccc1NC(=O)c1c(O)n2CCc3cccc(c23)c1=O
34226 Cc1c(C#N)c2ccccc2n1CC(=O)Nc1cccc(C)c1C
34227 Fc1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
34228 Cc1cc(NC(=O)CSc2ccc(cn2)-c2nc3cc(C)c(C)cc3[nH]2)no1
34229 CCCCCn1c(SCCCC)nc2n(C)c(=O)[nH]c(=O)c12
34230 CCCCC[C@H](O)C=C[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O |c:10|
34233 O=c1n([se]c2ccccc12)-c1ccccc1
34234 Cc1[nH]c(=S)c(C#N)c(C)c1CC=C
34235 CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl
34236 Cc1nc2cc3nc(C)sc3cc2s1
34237 CC1CC(C)(C)NC(=S)S1
34238 CCOC(=O)c1c(N)sc2C3C(CCc12)C(=O)N(C1CCCCC1)C3=O
34239 CC1(C)Cc2[nH]c(=S)c(cc2CO1)C#N
34240 Nc1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)-c1ccccc1
34241 Cc1nnc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)s1
34242 COc1ccc(O)c(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)c1
34243 Nc1c(C(=O)NCC=C)c2nc3ccccc3nc2n1-c1ccc2OCOc2c1
34244 CCC1(C)Cc2c(CO1)sc1c2c(=O)n(C)c2nnc(SCc3ccc4OCOc4c3)n12
34245 ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
34246 Cn1c2nc(SCCN3CCOCC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O
34247 c1ccc(nc1)-c1ccc(nn1)-c1ccccn1
34248 Nc1nnc(CSCc2ccc(F)cc2)s1
34249 O=c1n2c(nc3ccccc23)sc1=Cc1cccn1-c1ccccc1
34250 O=C(CSc1nc2CCCCc2c(-c2ccco2)c1C#N)Nc1nccs1
34251 CC1=C(C(C(C#N)C(SCC(=O)Nc2ccc(C)c(Cl)c2)=N1)c1ccco1)C(=O)OCC=C |c:21,t:1|
34252 Cc1ccccc1NC(=O)CSc1nc2CCCCc2c(-c2ccco2)c1C#N
34253 Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(O)c(O)c1
34254 Cc1ccc(cc1)-n1c(N)c(sc1=S)C(N)=O
34255 CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccc(OC(C)C)c(OCC)c1 |c:8|
34256 O=C(Nc1sc2CCCCc2c1C(=O)NC1CCS(=O)(=O)C1)C1COc2ccccc2O1
34257 COC(=O)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1
34258 CCC1CC2(C)NC(=O)c3c4CC(C)(C)OCc4sc3N2C1=O
34259 CC(C)CNC(=O)c1c(N)n(N=Cc2ccccn2)c2nc3ccccc3nc12 |w:11.10|
34260 CC(C)OC(=O)CSc1nnc(-c2ccc(cc2)C(C)(C)C)n1N
34261 CN(C)c1ccc(NC=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1 |w:8.7,t:18|
34262 Cc1cc(C=Nn2cnnc2)c(C)n1-c1sc(C)c(C)c1C#N |w:5.5,(4.54,-1.31,;6.01,-.84,;6.49,.63,;8.03,.63,;8.93,1.87,;8.3,3.28,;9.21,4.53,;10.75,4.53,;11.23,5.99,;9.98,6.9,;8.73,5.99,;8.5,-.84,;9.97,-1.31,;7.26,-1.74,;7.26,-3.28,;8.5,-4.19,;8.03,-5.65,;8.93,-6.9,;6.49,-5.65,;5.58,-6.9,;6.01,-4.19,;4.54,-3.71,;3.08,-3.23,)|
34263 CC(C)(C)C1=Nn2c(SC1)nnc2-c1ccccn1 |t:4|
34264 CCOC(=O)C(C(C)=O)c1c(Br)c(O)c(O)c2c(coc12)C(=O)c1ccc(C)cc1
34265 Nc1nc(SCC(=O)NC2CCCCC2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
34266 Cc1nc(cs1)-c1cccc(c1)S(=O)(=O)N1CCOCC1
34267 O=C1CC(Cc2nc(ncc12)N1CCc2ccccc12)c1ccccc1
34268 CC(C)c1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
34269 c1coc(c1)-c1nc2c3cnn(-c4ccccc4)c3ncn2n1
34270 COc1ccc(cc1OC)C1N(Cc2ccco2)C(=O)c2oc3ccc(Cl)cc3c(=O)c12
34271 Clc1ccc(COc2ccc(cc2)-c2nc(C#N)c(NCc3cccnc3)o2)cc1
34272 CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1
34273 CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(coc12)C(=O)c1ccccc1
34274 COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
34275 Cc1nn(c2NC(=O)CSC(c12)c1ccc2OCOc2c1)-c1ccc(C)cc1
34276 Oc1c(C=Nc2ccccc2N2CCCC2)c(=O)[nH]c(=O)n1-c1ccc(F)cc1 |w:4.4|
34277 CCOC(=O)c1sc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c(C#N)c1C
34278 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
34279 Clc1ccccc1N1C(=O)c2sc3nc4ccccc4n3c2C1=O
34280 COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc4CCCCc4cc23)CC1
34281 COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(c(O)cc23)-c2ccccc2)CC1
34282 COc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc(C)c(Cl)c(C)c23)CC1
34283 Oc1cc2c(CN3CCN(CC3)c3ccccc3)cc(=O)oc2cc1-c1ccccc1
34284 O=C1CC(Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc12)c1ccco1
34285 CCn1c(N)c(sc1=S)C(=O)Nc1ccccc1C(=O)OC
34286 CCn1c(N)c(sc1=S)C(=O)NCc1ccc2OCOc2c1
34287 CC(C)Sc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12
34288 COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N
34289 COc1cc(cc(OC)c1OC)-c1nnc2sc(Cc3ccc(Cl)cc3)nn12
34290 C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)C1COc2ccccc2O1
34291 C(c1nnc2sc(nn12)-c1ccc2OCOc2c1)n1cnc2ccccc12
34292 C(c1nnc2sc(nn12)-c1cccnc1)n1nnc2ccccc12
34293 Fc1ccc(OCc2nn3c(Cn4nnc5ccccc45)nnc3s2)cc1
34294 Clc1cccc(c1)-c1nn2c(Cn3cnc4ccccc34)nnc2s1
34295 Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1cccc(C)c1 |c:17|
34296 Clc1ccc(cc1)-c1nn2c(nnc2s1)C1COc2ccccc2O1
34297 C(Cc1ccccc1)c1nn2c(Cn3nnc4ccccc34)nnc2s1
34298 C(c1nnc2sc(nn12)-c1ccncc1)n1nnc2ccccc12
34299 COc1cc(cc(OC)c1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1C |c:23|
34300 C(c1nn2c(Cn3nnc4ccccc34)nnc2s1)c1ccccc1
34301 CCc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1cc(OC)c(OC)cc1OC |c:12|
34302 C(c1nnc2sc(nn12)-c1ccco1)n1nnc2ccccc12
34303 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1C |c:23|
34304 C(c1nnc2sc(nn12)-c1ccncc1)n1cnc2ccccc12
34305 Fc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc2OCOc2c1
34306 C(c1nnc2sc(nn12)-c1ccccn1)n1nnc2ccccc12
34307 Clc1ccc(Cc2nn3c(Cn4nnc5ccccc45)nnc3s2)cc1
34308 COc1cc(cc(OC)c1OC)-c1nnc2sc(nn12)-c1cccnc1
34309 COc1ccccc1-c1nn2c(nnc2s1)C1COc2ccccc2O1
34310 CCOc1cc(ccc1O)C1N(Cc2ccco2)C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c12
34311 C(Oc1ccccc1)c1nn2c(Cn3nnc4ccccc34)nnc2s1
34312 COC(=O)c1ccc2c(c1)nc(CN1C(C)Cc3ccccc13)[nH]c2=O
34313 Cc1ccc(o1)-c1nn(cc1CN(Cc1ccccc1)C(=O)CCC(O)=O)-c1ccccc1
34314 Cn1ccnc1P(=S)(N1CCOCC1)c1nccn1C
34315 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1ccc2SCC(=O)Nc2c1
34316 Cc1cccc(C(=O)OCC(=O)Nc2ccc(cc2)N2CCCCC2)c1O
34317 CC(C)Cn1c(SCC(=O)NC(=O)Nc2ccc3OCCOc3c2)nc2ccccc2c1=O
34318 Cc1nc2ccc(Nc3nc4cc(ccc4o3)S(=O)(=O)N3CCOCC3)cc2s1
34319 CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3o2)c1C
34320 CCCCC(CC)Cn1c2nc(C)oc(=N)c2c2nc3ccccc3nc12
34321 CN(C)c1ccc2c(c1)N=C(OP2(=S)N1CCOCC1)c1ccco1 |c:10|
34322 COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nnc(s1)-c1cccnc1
34323 O=S(=O)(NS1=CC=CCN1S(=O)(=O)c1ccccc1)c1ccccc1 |c:6,t:4|
34324 Cc1cccc(Nc2nnc(S)s2)c1C
34325 Cc1noc(C)c1CSc1nc2cc(ccc2o1)S(=O)(=O)N1CCOCC1
34326 O=S(=O)(N1CCCC1)c1ccc(cc1)S(=O)(=O)N1CCN(C\C=C\c2ccccc2)CC1
34327 COCCn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(o1)-c1ccccc1Cl
34328 Fc1ccc(cc1)-c1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
34329 CCOC(=O)c1sc(=S)n(CC=C)c1NC(=O)c1ccc(Br)o1
34330 O=C(CSc1nc2ccc(cc2[nH]1)S(=O)(=O)N1CCOCC1)N1CCOCC1
34331 O=c1[nH]c(nc2ccccc12)-c1ccncc1
34332 Cc1cc(C(=O)CSc2nnc(o2)-c2ccc(OC(F)F)cc2)c(C)n1Cc1cccs1
34333 O=C(Nc1nc(cs1)-c1ccncc1)c1ccco1
34334 O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
34335 Cc1cc(C)c(C#N)c(=N)o1
34336 O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
34337 CC(Nc1ccccc1N1CCOCC1)c1nc2sc(C)c(C)c2c(=O)[nH]1
34338 CCOC(=O)c1c(N)sn(-c2ccccc2C)c1=S
34339 O=C(CN1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)Nc1sc2CCCc2c1C#N
34340 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
34341 Cc1nn(CCC#N)c2N=C(OP(=S)(N3CCCC3)c12)c1ccc(F)cc1 |c:9|
34342 Cc1sc2nc(SCC(=O)NC(=O)NCc3ccco3)n(CC=C)c(=O)c2c1C
34343 CCn1c2ccccc2c2nc3cc(ccc3nc12)S(=O)(=O)N1CCOCC1
34344 Cc1nn(CCc2nc(cs2)-c2ccco2)c2[nH]c(=O)cc(c12)C(F)(F)F
34345 NC(=O)c1cc(sc1NC(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1)-c1ccccc1
34346 Cc1ccnc(n1)-n1sc2ccccc2c1=O
34347 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1cccc(C)c1
34348 CCOC(=O)CSc1nc(ns1)-c1ccc(OC)cc1
34349 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccc(OC)c1
34350 CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCc2ccccc2C1
34351 CN(C)C(=O)C(Sc1ncnc2n(nnc12)-c1ccc(F)cc1)C(C)=O
34352 C1CN(CCO1)Sc1nc2ccccc2[nH]1
34353 COc1ccc(cc1)-c1nsc(SCC(=O)Nc2cc(C)on2)n1
34354 CCOC(=O)c1sc(=S)n(c1N)-c1ccc2OCOc2c1
34355 Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)c(C)c1
34356 COc1ccc(cc1)C1C(C(C)=O)=C(C)N=c2sc(=Cc3ccc4OCOc4c3)c(=O)n12 |w:19.20,t:13,16|
34357 Cc1ccccc1OCc1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
34358 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1OC
34359 CCc1ccc(NC(=O)CSc2nc3cc(ccc3c(=O)n2Cc2ccco2)C(=O)OC)cc1
34360 COC(=O)c1cc(=O)nc2sc(nn12)-c1ccc(F)cc1
34361 OC(=O)c1cc(ccc1O)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
34362 CCOC(=O)c1sc(=S)n(c1N)-c1ccccc1OC |(8.41,6.15,;9.04,4.74,;8.13,3.49,;8.76,2.09,;10.29,1.93,;7.85,.84,;6.31,.84,;5.84,-.62,;4.37,-1.1,;7.08,-1.53,;8.33,-.62,;9.79,-1.1,;7.08,-3.07,;8.41,-3.84,;8.41,-5.38,;7.08,-6.15,;5.75,-5.38,;5.75,-3.84,;4.41,-3.07,;3.08,-3.84,)|
34363 O=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O
34364 O=C(NC1CCCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
34365 CCOc1ccc(cc1)-n1c(=O)n(CC(=O)NCc2ccco2)c2sc3CCCc3c2c1=O
34366 O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccco1
34367 COc1ccc(CC(=O)Nc2ccc(cc2)-c2noc(n2)-c2cccc(OC)c2)cc1
34368 Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1
34369 CCOC(=O)c1sc2nc3CCC(C)CCn3c(=O)c2c1C
34370 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCC1CCCO1
34371 Cc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:18|
34372 CCOC(=O)c1[nH]cc(c1N1CCOCC1)-c1ccccc1
34373 COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(Cc1ccco1)c2=O
34374 Clc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1ccco1
34375 CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)OC
34376 CCOC(=O)N(c1ccccc1)P1(=S)OCCO1
34377 OC(=O)c1ccc2SC(N3CCCC3)C(=O)Nc2c1
34378 CCOC(=O)c1sc(=S)n(c1N)-c1ccc(F)c(F)c1
34379 CSc1ccc(cc1)C1C(C#N)C(=N)Oc2c1ccc(=O)c1c(C)oc(C)c21
34380 N=C1SC(=N)C(C#N)C(C1C#N)c1ccnc2ccccc12
34381 COC(=O)c1sc(=S)n(c1N)-c1cccc(Cl)c1
34382 Cc1cccc(c1)-c1nsc(SCC(=O)NCc2ccco2)n1
34383 CCOC(=O)CSc1nc2cc(ccc2c(=O)n1C1CCCCC1)C(=O)NCc1ccco1
34384 CCOC(=O)CSc1nc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C(=O)NCc1ccco1
34385 Cc1ccc(cc1)C1C2C(=O)CCCC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:16|
34386 CCOC(=O)c1c(NC(=O)c2ccc(cc2)-n2cnnn2)sc2CCCCc12
34387 CCCSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(Cl)cc1
34388 Clc1ccc(cc1)-c1nc(NC(=O)CSc2nnnn2-c2ccccc2)ns1
34389 COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(C)c(Cl)c1)n(Cc1ccco1)c2=O
34390 COC(=O)N(c1ccc(OC)cc1)P1(=S)OCCC(C)O1
34391 COC(=O)c1ccc2N3CCCC3C(=O)N(Cc3nc(oc3C)-c3ccc(Cl)cc3)c2c1
34392 CC(C)C1N=C2N(C1=O)C(SCC(=O)c1ccc(O)c(O)c1)=Nc1ccccc21 |c:4,23|
34393 COc1cccc(OCC(=O)Nc2c(oc3ccccc23)C(=O)Nc2ccc(OC)cc2OC)c1
34394 Cc1cccc(c1)-c1nsc(SCC(=O)Nc2nccs2)n1
34395 COc1ccccc1-n1c(N)c(sc1=S)C(N)=O |(3.08,-2.9,;4.41,-2.13,;5.75,-2.9,;5.75,-4.44,;7.08,-5.21,;8.41,-4.44,;8.41,-2.9,;7.08,-2.13,;7.08,-.59,;5.84,.32,;4.37,-.16,;6.31,1.78,;7.85,1.78,;8.33,.32,;9.79,-.16,;5.41,3.03,;6.03,4.44,;3.87,2.87,)|
34396 Cc1cc(-c2nsc(=O)o2)c(s1)S(C)(=O)=O
34397 Clc1cc(Cl)c2nc(sc2c1)N1CCCCC1
34398 Nc1c(sc(=S)n1CC=C)C(=O)NCCC1=CCCCC1 |t:16|
34399 Cc1nc(C)c(o1)C(=O)Nc1nc2c(C)cccc2s1
34400 Cc1cc(NC(=O)CSc2nc3cc4OCOc4cc3c(=O)n2CCc2ccccc2)no1
34401 C1Oc2cc3nc(sc3cc2O1)N1CCN(CC1)c1ccccc1
34402 CCOC(=O)N1CCc2c(C1)sc1NC(NC(=O)c21)c1ccc(o1)-c1ccc(Cl)cc1
34403 CCOC(=O)c1sc(=S)n(c1N)-c1cc(OC)ccc1OC |(8.41,6.92,;9.04,5.51,;8.13,4.26,;8.76,2.86,;10.29,2.7,;7.85,1.61,;6.31,1.61,;5.84,.15,;4.37,-.33,;7.08,-.76,;8.33,.15,;9.79,-.33,;7.08,-2.3,;8.41,-3.07,;8.41,-4.61,;9.75,-5.38,;9.75,-6.92,;7.08,-5.38,;5.75,-4.61,;5.75,-3.07,;4.41,-2.3,;3.08,-3.07,)|
34404 C1Oc2cc3nc(sc3cc2O1)N1CCOCC1
34405 COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)o1
34406 CCOC(=O)c1ccc(cc1)-n1c2nc(C)[nH]c(=O)c2sc1=S
34407 CC(C)(C)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1
34408 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
34409 Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCCCC1
34410 C(c1nnc2sc(nn12)-c1ccccc1)n1nnc2ccccc12
34411 C(c1nnc2sc(nn12)-c1cccnc1)n1cnc2ccccc12
34412 COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
34413 COC(=O)c1sc(nc1C)N1C(c2cccs2)c2c(oc3ccccc3c2=O)C1=O
34414 Cc1cc(-c2nn3c(nnc3s2)-c2ccccc2)c2ccccc2n1
34415 CC(C)(C)c1ccc(cc1)-c1nnc2sc(nn12)-c1ccncc1
34416 CC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)c2nnc[nH]2)cc1
34417 Cc1cccc(OCC(=O)Nc2cccc(c2)-c2nnc(o2)-c2ccccc2)c1C
34418 Cc1ccc(cc1)-c1nnc2sc(CCc3ccccc3)nn12
34419 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1
34420 Cc1cc(C)cc(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)cc(C)c2)c1
34421 Nc1c(sc(=S)n1-c1ccccc1)C(=O)N1CCCCC1
34422 C(c1nnc2sc(nn12)-c1ccc2OCCOc2c1)n1nnc2ccccc12
34423 CN1C(=O)C(Cc2ccc(OCC=C)cc2)C(=O)N(C)C1=O
34424 Cc1ccc(cc1)-n1c(N)c(sc1=S)-c1nc2ccccc2n1C
34425 O=C(Nc1ccc(cc1)N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
34426 OCCN1CCN(CC1)C(=S)c1ccc(Cl)cc1
34427 CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(Br)cn3)o1)c2C(N)=O
34428 Oc1cccc(c1)C(=S)N1CCN(Cc2ccccc2)CC1
34429 CCOC(=O)C1=C(C)N=c2s\c(=C3\C(=O)Nc4ccccc34)c(=O)n2C1c1ccc2OCOc2c1 |c:5,t:8|
34430 COc1cc(cc(OC)c1OC)C(=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
34431 CCCc1cc(C(N)=O)c(NC(=O)C2CCCO2)s1
34432 C(c1nnc2sc(nn12)-c1ccncc1)c1ccccc1
34433 C(c1nn2c(nnc2s1)-c1ccncc1)c1ccccc1
34434 Cc1sc(NC(=O)c2oc3ccccc3c2C)c(C#N)c1C
34435 CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C#N)c1C
34436 S=C(N1CCOCC1)c1ccc(cc1)N1CCOCC1
34437 CC1CCN(CC1)C(=S)c1ccccc1O
34438 C(c1nnc2sc(nn12)C1COc2ccccc2O1)n1nnc2ccccc12
34439 COC(=O)c1ccc(cc1)C(=S)N1CCOCC1
34440 CCOc1ccccc1OCc1nn2c(COc3ccccc3)nnc2s1
34441 COCCNC(=S)c1ccc(OC)cc1
34442 Brc1ccc(OCC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
34443 CCOC(=O)c1c(NC(=O)c2ccco2)scc1C1COc2ccccc2O1
34444 CCc1cc(C(=O)OC)c(NC(=O)CCC(O)=O)s1
34445 CCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1
34446 Clc1ccccc1-c1nnc2sc(nn12)C1COc2ccccc2O1
34447 COC(=O)Nc1sc2CCCCCCc2c1C(N)=O
34448 Cc1cc(C)c2oc(nc2c1)-c1ccc(Cl)c(NC(=O)c2ccc(cc2F)C#N)c1
34449 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
34450 CCOc1cc(ccc1OCCN1CCOCC1)C1C(C#N)C(=N)SC(=N)C1C#N
34451 Nc1c(sc(=S)n1-c1ccccc1)C(=O)N1CCOCC1
34452 CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
34453 Cc1nn2c(nnc2c2ccccc12)-c1cccc(NC(=O)CSc2nc3ccccc3o2)c1
34454 Cc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)NCc3ccco3)c2n1
34455 CN(C)c1cccc(c1)C(=O)Nc1cccc(F)c1
34456 CCOc1ccccc1C(=S)N1CCCC1
34457 C(Oc1ccccc1)c1nnc2sc(Cc3ccccc3)nn12
34458 CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1
34459 Clc1ccc(OCc2nnc(NC(=O)C3CCCO3)s2)cc1
34460 S=c1[nH]c(nc2ccccc12)C1CC1
34461 Clc1ccccc1-c1nn2c(nnc2s1)-c1ccncc1
34462 OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
34463 C(c1nnc2sc(nn12)-c1ccccn1)c1ccccc1
34464 C1Oc2ccccc2OC1c1nnc2sc(nn12)-c1cnccn1
34465 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
34466 Clc1ccc(Cl)c(c1)-c1nn2c(COc3ccccc3)nnc2s1
34467 O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)-c1nc2ccccc2o1
34468 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)c1C
34469 COC(=O)c1sc(=S)n(c1N)-c1ccccc1
34470 Brc1cnn(Cc2ccc(o2)C(=O)Nc2sc3CCCCCCc3c2C#N)c1
34471 COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1cccc(O)c1 |(9.75,-4.65,;9.75,-3.11,;8.41,-2.34,;7.08,-3.11,;5.75,-2.34,;5.75,-.8,;4.41,-.03,;3.08,-.8,;7.08,-.03,;8.41,-.8,;7.08,1.51,;8.33,2.41,;7.85,3.88,;6.31,3.88,;5.84,2.41,;4.37,1.94,;9.79,1.94,;10.94,2.97,;12.4,2.49,;12.72,.99,;11.58,-.04,;11.9,-1.55,;10.11,.43,)|
34472 Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCOCC1
34473 Clc1ccc(cc1)C(=O)NC(=O)Nc1cc(ncn1)N1CCCCC1
34474 COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O
34475 Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
34476 CSc1ccc(cc1)C(=S)N1CCN(C)CC1
34477 Clc1ccc(OCc2nnc(NC(=O)c3cccs3)s2)cc1
34478 Cc1nnc(=O)[nH]c1NCC1CCCO1
34479 COC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
34480 Cc1ccc(o1)-c1cc(C(=O)NC2=NCCS2)c2cc(Br)ccc2n1 |t:13|
34481 Cc1occc1-c1nnc2sc(nn12)-c1cc(oc1C)-c1ccc(Cl)cc1
34482 CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1
34483 CSc1ccc(cc1)C(=S)N1CCN(CCO)CC1
34484 CN(C)c1ccc(cc1)C(=S)N1CCN(C)CC1
34485 COc1cc(cc(OC)c1OC)-c1nn2c(Cc3ccccc3)nnc2s1
34486 CC(=O)c1cccc(NC(=O)c2cc(on2)-c2ccc(C)cc2)c1
34487 COC(=O)N(c1ccccc1)P1(=S)OCCO1
34488 C1Oc2ccccc2OC1c1nnc2sc(nn12)-c1ccccc1
34489 COc1cc(ccc1O)C(=S)N(C)C
34490 CCC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)c2nnc[nH]2)cc1
34491 COCCSc1ccccc1C(=O)Nc1cc(C)on1
34492 Cc1cc(C)c2nc3sc(=Cc4ccc5n(C)c(=O)n(C)c5c4)c(=O)n3c2c1
34493 O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1
34494 C(c1nn2c(Cn3cnc4ccccc34)nnc2s1)c1ccccc1
34495 FC(F)(F)c1cc(nc(SCC(=O)Nc2sc3CCCCc3c2C#N)n1)-c1ccco1
34496 C1Oc2ccccc2OC1c1nnc2sc(nn12)-c1cccs1
34497 CN1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(OCc2ccccc2)c1 |c:4|
34498 CCOC(=O)c1c(NC(=O)c2cc(on2)C2CC2)sc2CCCCc12
34499 CCOc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1c(OC)ccc2ccccc12 |c:13|
34500 CCOc1cc(ccc1O)C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:21|
34501 CCN1CCN(CC1)c1nc(C)nc2n(C)c(=S)sc12
34502 COc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(SC)cc1 |c:12|
34503 COc1ccc2ccccc2c1C1CC(=O)N2CN(CSC2=C1C#N)C1CCCCC1 |c:24|
34504 COc1ccc(Br)cc1C1CC(=O)N2CN(C)CSC2=C1C#N |c:21|
34505 CC(C)(C)c1ccc(cc1)-c1nnc2sc(nn12)-c1ccccn1
34506 O=C(CSc1nc2sc3CCCCc3c2c(=O)n1-c1ccccc1)NCc1ccco1
34507 O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1)NC1CCCc2ccccc12
34508 CC(C)Cc1cc(no1)C(=O)Nc1sc2CCCCc2c1C#N
34509 COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2cc(OC)ccc2OC)c(OC)c1 |c:9|
34510 CCOC(=O)C1CCCN(C1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
34511 C(Oc1ccccc1)c1nnc2sc(nn12)C1COc2ccccc2O1
34512 Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCN(CC1)c1ccccc1F)c2=O
34513 COc1ccc(OC)c(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c1
34514 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(C)CSC2=C1C#N |c:24|
34515 COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2cc(OC)c(OC)cc2OC)c(OC)c1 |c:9|
34516 COc1ccccc1CNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
34517 C(c1nnc2sc(nn12)-c1ccc2OCCOc2c1)c1ccccc1
34518 CCCc1cc(no1)C(=O)Nc1sc(C)c(C)c1C(=O)OCC
34519 Cc1cc(C)c2c(n1)sn(CC(=O)N1CCC(CC1)N1CCCCC1)c2=O
34520 Cc1cc(C)c2c(n1)sn(CC(=O)NCCCN1CCOCC1)c2=O
34521 CCCc1cc(no1)C(=O)Nc1sc2CCCc2c1C#N
34522 COC(=O)c1ccc2N3CCCC3C(=O)N(Cc3nc(oc3C)-c3cccc(C)c3)c2c1
34523 CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1Cl |c:13|
34524 CC1CN(CCN1c1cccc(C)c1)C(=O)Cn1sc2nc(C)cc(C)c2c1=O
34525 CCc1ccccc1N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1F |c:12|
34526 CC(C)c1ccc(cc1)C1CC(=O)N2CN(C)CSC2=C1C#N |c:21|
34527 COc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2c3ccccc3[nH]c2c1=O
34528 C\C=C\CSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(C)cc1
34529 CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 |r|
34530 Clc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)cc1
34531 CO[C@]1(CCN(CC(=O)N2CCC(CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccnc(c3)C3CC3)c2c1 |r|
34532 COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
34533 CCCCCCn1c(SCC(=O)OC)nc2n(C)c(=O)[nH]c(=O)c12
34534 COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@H](C)O)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
34535 CCN1C[C@H](F)[C@H](CN([C@@H](c2nc(nn2Cc2cccc(F)c2)-c2cc(F)ccc2F)C(C)(C)OC)C(=O)[C@@H]2CCCO2)C1 |r|
34536 COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
34537 COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
34538 COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H](C)O)c1nc(nn1Cc1cccc(F)c1)-c1cc(F)ccc1F |r|
34539 COC(C)(C)[C@@H](N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
34540 COC(C)(C)[C@@H](N(CC[C@H](N)CF)C(=O)[C@H](C)O)c1nc(nn1Cc1ccccc1)-c1cc(F)ccc1F |r|
34541 CCN(CC)C1=CC(=O)OC11CCCCC1 |t:5|
34542 CC1(CCSC(N)=N1)c1cccc(c1)C(=O)Nc1ccc(Cl)cn1 |c:6|
34543 COC(=O)c1c(NC(=O)Cc2cccs2)sc2CC(C)CCc12
34544 O=C(NC(CC1CCCCC1)C(=O)N1CC[C@H]2OCC(=O)[C@@H]12)c1ccccc1 |r|
34545 S=C(Nc1ccccn1)c1ccccn1
34546 CCCCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
34547 Cc1sc(NC(=O)c2cccs2)c(C(N)=O)c1C
34548 S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
34549 CC1(CCSC(N)=N1)c1cc(Br)cc(NC(=O)c2cc3ccccc3s2)c1 |c:6|
34550 O=C(CCSCCC(=O)NCc1ccco1)NCc1ccco1
34551 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C(F)(F)F |c:6|
34552 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |c:6|
34553 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 |c:6|
34554 Clc1ccc(cc1)C(=S)N1CCOCC1
34555 Nc1c(sc(=S)n1-c1ccccc1)C(=O)NCc1cccnc1
34556 O=c1n2c(nc3ccccc23)sc1=Cc1ccccn1
34557 Cc1ccccc1N1C(=O)c2sc3nc4CCCc4c(=O)n3c2C1=O
34558 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C#N)c1 |c:6|
34559 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1 |c:6|
34560 COCc1cc(NC(=O)c2ccc(C)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
34561 CCc1nnc(NC(=O)C2CCCCC2)s1
34562 CCc1c(C)sc(NC(=O)C2CCCCC2C(O)=O)c1C(N)=O
34563 Clc1ccccc1-c1ccc(o1)C(=S)N1CCOCC1
34564 Oc1ccc(CNc2ccccc2)c2cccnc12
34565 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1cc(OC)c(O)c(OC)c1
34566 Oc1ccc(CNc2ccc(F)cc2)c2cccnc12
34567 COc1ccc(cc1)C1NC(=O)N=C2C1CCc1ccccc21 |c:13|
34568 OCCNc1nc(NCc2ccccc2)c2CN(Cc3ccccc3)CCc2c1C#N
34569 CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1
34570 COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C
34571 Oc1cc2ccc(=O)oc2cc1O
34572 Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
34573 [O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC11CCCCC1 |c:1,16|
34574 OCCCNc1nc(NCc2ccccc2)c2CN(Cc3ccccc3)CCc2c1C#N
34575 C\N=C(/c1ccco1)n1c(=S)nc(-c2ccco2)n(C)c1=S
34576 CN1CCc2c(C1)c(NCC=C)nc(NCc1ccccc1)c2C#N
34577 CCN1CCc2c(C1)c(NCCO)nc(NCc1ccccc1)c2C#N
34578 Cc1ccc2[nH]c-3c(CCc4c[nH]nc-34)c2c1
34579 CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
34580 CN(O)\C=c1\ccc2=CC=CC(=O)c2n1 |c:9,t:7|
34581 CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
34582 CCc1cc(cc2c1[nH]c1ccccc21)N1CCOCC1
34583 CC(C)(C)C1=Nn2c(SC1)nnc2-c1n[nH]c2CCCc12 |t:4|
34584 CN(C)c1ccc2nonc2c1N
34585 CN1CC2(Cc3c1ccc1ccccc31)C(=O)N(C)C(=O)N(C)C2=O
34586 CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
34587 CCC(C)N1C(=O)NC(=O)C2(CN(C)c3ccc4ccccc4c3C2)C1=O
34588 Nc1c(cc(Cl)c2nonc12)N1CCOCC1
34589 CCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCOCC1
34590 CCN1C(=O)c2cccc3cccc1c23
34591 C(SCc1ccccc1)c1cn2ccsc2n1
34592 CC(C)(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCCC3CO)c(C#N)c21
34593 Oc1c(ccc2cccnc12)C(N1CCOCC1)c1ccccn1
34594 COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCc2ccccc2C1
34595 CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1 |c:10|
34596 Cc1cc(-c2ccco2)c(C#N)c2nc3ccccc3n12
34597 COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCCC1
34598 CCc1nc2c3no[n+]([O-])c3c3non(O)c3c2n1
34599 FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccc(Cl)cc2O1
34600 CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc21 |w:13.14|
34601 Oc1c(CN2CCCCC2)cc(Br)c2cccnc12
34602 CN1c2cccc3cccc(N(C)C1(C)C)c23
34603 Cc1ccc(c(C)c1)-n1c(N)c(sc1=S)C(N)=O |(5.79,-5.98,;5.79,-4.44,;7.12,-3.67,;7.12,-2.13,;5.79,-1.36,;4.46,-2.13,;3.12,-1.36,;4.46,-3.67,;5.79,.18,;7.04,1.09,;8.5,.61,;6.56,2.55,;5.02,2.55,;4.54,1.09,;3.08,.61,;7.47,3.8,;6.84,5.21,;9,3.64,)|
34604 Cc1cc(C)[n+]2ncn(C)c2n1
34605 COc1ccc(cc1)N1CCC(CNS(=O)(=O)c2cccc(c2)C(F)(F)F)C1
34606 CC(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1
34607 CCOC(=O)N1CCN(CCC(=O)c2ccc(Cl)cc2)CC1
34608 O=C1CCn2cnc3cccc4ccc1c2c34
34609 Oc1c(Cl)cc(Cl)c2CCCNc12
34610 CC(C)NC(=O)c1oc2CCc3c[nH]nc3-c2c1C
34611 CC1CCCN(CCC(=O)c2ccc(Br)cc2)C1
34612 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
34613 Cc1cc(=O)c2c(O)c(O)ccc2o1
34614 Fc1ccccc1N1CCN(CCC(=O)c2ccc(Br)cc2)CC1
34615 Oc1ccc(CN2CCCc3ccccc23)c2cccnc12
34616 Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCc1ccccc1
34617 OCCN1CCN(CC1)C(c1cccs1)c1ccc2cccnc2c1O
34618 COc1cccc(CNc2ccc(cc2)N2CCCCC2)c1OC
34619 CCN(CC)c1ccc2oc(=O)c(C)nc2c1
34620 Oc1c(CN2CCN(CC2)c2ccccn2)cc(Cl)c2cccnc12
34621 FC(F)(F)C1(F)SC(NC(=O)NC2CCCCC2)=NC1=O |c:18|
34622 CCOC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1
34623 C1CCCN(CC1)c1cc(n[nH]1)-c1ccccc1
34624 COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(=O)NC(C)(C)C
34625 CCOc1ccc(CNc2ccc(cc2)N2CCCC2)cc1
34626 CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C
34627 COc1ccccc1CNc1ccc(cc1)N1CCCCC1
34628 COc1ccc(cc1)-n1nc2cc(C)c(N)c(Br)c2n1
34629 CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cnoc12
34630 Cc1sc2nc3ccc(nn3c(=O)c2c1C)N1CCCC1
34631 COc1cc2CCN3CN(CC(O)=O)CC(C#N)=C3c2cc1OC |c:17|
34632 CCN1C(=O)c2cccc3c(N)ccc1c23
34633 COc1ccc(cc1)C(N1CCc2ccccc2C1)c1sc2nc(C)nn2c1O
34634 CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1 |w:14.15|
34635 CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
34636 OCC(CO)(CO)N=Cc1c(O)ccc2ccccc12 |w:7.6|
34637 COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
34638 COc1ccc(c(OC)c1)-n1c(O)cc(Sc2nnc[nH]2)c1O |(8.41,-7.22,;7.08,-6.45,;7.08,-4.91,;8.41,-4.14,;8.41,-2.6,;7.08,-1.83,;5.75,-2.6,;4.41,-1.83,;3.08,-2.6,;5.75,-4.14,;7.08,-.29,;5.84,.62,;4.37,.14,;6.31,2.08,;7.85,2.08,;8.76,3.33,;8.13,4.74,;6.62,5.06,;6.46,6.59,;7.87,7.22,;8.9,6.07,;8.33,.62,;9.79,.14,)|
34639 CN(C)c1ccc(cc1Br)C(=S)N1CCOCC1
34640 CC(C)N(C(C)C)C(=O)Nc1ccc2nccnc2c1
34641 O=C1C(CCc2ccccc12)=CNc1ccc2OCOc2c1 |w:11.13|
34642 S=c1[nH]c2CCCCCCc2cc1C#N
34643 OC(=O)CCNc1cc2ccccc2cc1C(O)=O
34644 Cc1ccc(N=Cc2cccc(O)c2O)c(C)c1 |w:5.4|
34645 C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
34646 Cn1c(N=Cc2c(O)ccc3ccccc23)nc2ccccc12 |w:3.2|
34647 CCN(CC)C(=O)C1CCCN(C1)C(=O)Nc1ccc2nsnc2c1
34648 Cc1cc(C)nc(c1)N=c1ssnc1Cl |w:8.8|
34649 C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O
34650 COC1=C(N)C(=O)c2nc(ccc2C1=O)-c1nc(C(O)=O)c(C)c(c1N)-c1ccc(OC)c(OC)c1O |c:2,(3.91,5.12,;3.91,3.58,;5.24,2.81,;5.24,1.27,;3.91,.5,;6.57,.5,;6.57,-1.04,;7.91,1.27,;9.28,.44,;10.68,1.23,;10.68,2.84,;9.28,3.63,;7.91,2.81,;6.57,3.58,;6.57,5.12,;12.01,.46,;12,-1.08,;13.34,-1.86,;13.33,-3.4,;11.99,-4.16,;14.66,-4.17,;14.67,-1.09,;16,-1.87,;14.68,.45,;13.35,1.22,;13.35,2.76,;16.01,1.21,;16.02,2.75,;17.36,3.52,;18.69,2.74,;20.02,3.51,;20.03,5.05,;18.68,1.2,;20.01,.43,;21.35,1.19,;17.35,.44,;17.34,-1.1,)|
34651 Nc1cc(c[nH]c1=O)-c1ccncc1
34652 CC(C)NC[C@@H](O)c1ccc(O)c(O)c1
34653 COc1ccc(cc1)\N=c1\ssnc1Cl
34654 CC(C)OC(=O)c1c(N)scc1-c1cccc(C)c1
34655 CCOC(=O)c1c(N)sc(N)c1C(=O)OCC
34656 Cc1ccccc1N=Cc1cccc(O)c1O |w:7.7|
34657 CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1 |w:8.9,c:4,t:1|
34658 CCCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1
34659 Cc1ccccc1NCc1ccc(O)c2ncccc12
34660 Cc1cccc(c1)N1CCc2c1nc1ccc(Br)cc1c2N
34661 [#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#16]\[#6](-[#16]-1)=[#6]-1/[#6](=S)C([#6])([#6])[#7](-[#6](=O)-[#6]-2-[#6]-[#6]-2)-c2ccccc-12)-[#6](=O)-[#8]-[#6] |t:4|
34662 COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|
34663 COc1ccc(cc1)C(=O)C[N+]1(C)CCOCC1
34664 On1c2CCCCc2c2c1ccc1nonc21
34665 [#6]-[#8]-[#6](=O)-[#6]-1=[#6](-[#16]\[#6](-[#16]-1)=[#6]-1/[#6](=S)C([#6])([#6])[#7](-[#6](=O)-[#6](-[#6])-[#6])-c2ccccc-12)-[#6](=O)-[#8]-[#6] |t:4|
34666 COc1ccc2ccc3OC4(C=Nc3c2c1)N(C)c1ccccc1C4(C)C |c:11|
34667 COc1ccc2N(C(=O)Nc3ccccc3)C(C)(C)C=C(C)c2c1 |t:20|
34668 Cc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
34669 CC(C)CCOc1ccc(cc1)C(=O)C[N+]1(C)CCOCC1
34670 Cc1cc(C)c(C(N)=O)c(Nc2cccc3ccccc23)n1
34671 Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
34672 Clc1nss\c1=N\c1ccc(Cl)cc1
34673 COc1ccc(NC(=O)N2c3ccc(OC)cc3C(C)=CC2(C)C)cc1 |c:20|
34674 Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
34675 CCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
34676 CCCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
34677 Cc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
34678 Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
34679 COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccccc2)C1
34680 O=C(NCc1ccco1)c1cccn2c1nc1cc3ccccc3cc1c2=O
34681 COc1ccc(O)c(C=Nc2sc(C)c(C)c2C#N)c1 |w:9.9|
34682 O=C1\C(=C\Nc2cccc3nsnc23)C=Cc2ccccc12 |c:16|
34683 O=C(c1coc-2c1C(=O)C(=O)c1ccccc-21)c1ccccc1
34684 COc1ccc(cc1)N1CCC(CNC(=O)Nc2cccc(OC)c2)C1
34685 CC(CC(=O)c1cccnc1)=Nc1ccc(cc1)C(O)=O |w:11.12|
34686 [#6]-[#6]1=[#6]-[#6](=O)-[#6]=[#6](-[#6])\[#6]-1=[#7]\[#8]S(=O)(=O)c1ccccc1 |t:1,5|
34687 CCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
34688 CCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
34689 CN1c2ccccc2C(C)(C)C11Oc2cc(N3CCOCC3)c3ccccc3c2N=C1 |c:34|
34690 CN1c2ccccc2C(C)(C)C11Oc2ccc3ccccc3c2N=C1 |c:27|
34691 Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
34692 Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
34693 Cc1oc-2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc-21
34694 CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:22|
34695 CCOC(=O)c1c(NC(=O)c2ccco2)n(C2CCCCC2)c2nc3ccccc3nc12
34696 COC(=O)C(N)Cc1ccc(O)c(O)c1
34697 CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
34698 Nc1n[nH]c(=S)n1NC1=c2ccccc2=NC1=O |c:9,16|
34699 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCCC(O)C3)c(C#N)c21 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
34700 O=C(NC(=S)Nc1nc-2c(CSc3ccccc-23)s1)c1ccccc1
34701 CN(CCO)c1nc(N)c2c(N)nc3N(C4CCCC4)C(=O)Cc3c2c1C#N
34702 CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O |w:8.8,1.0|
34703 CCOC(=O)N1CCN(CC1)C(c1cccnc1)c1ccc2cccnc2c1O
34704 CCOC(=O)c1c(C)oc2c1c1CN(Cc3ccccn3)COc1c1ccccc21
34705 OC(=O)Cc1sc(N=NCc2ccc(o2)-c2ccccc2[N+]([O-])=O)nc1O |w:7.6|
34706 CCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCCC1
34707 Oc1cc(=C)c(NOS(=O)(=O)c2ccccc2)cc1=C
34708 COc1ccccc1N1CCN(Cc2ccc(O)c3ncccc23)CC1
34709 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
34710 Oc1ccc(C=NNP(=S)(c2ccccc2)c2ccccc2)cc1O |w:6.6|
34711 Cc1cc(SCC(=O)NN=Cc2ccc(O)c(O)c2O)c(C)cc1Br |w:9.8|
34712 COc1cc(cc(OC)c1OC)-c1nnc(SCc2cc(=O)oc3cc(O)c(O)cc23)o1
34713 CCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCNCC1
34714 Nc1scc2c(nn(-c3ccccc3)c(=O)c12)C(=O)NN=Cc1ccc(Cl)cc1 |w:20.22|
34715 Cc1cccc(c1)N1C(=S)NC(=O)C(=CN2CCN(CC2)C(=O)c2ccco2)C1=O |w:14.15|
34716 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccco1 |t:9|
34717 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24|
34718 Nc1cccnc1Sc1cccc(Cl)c1
34719 CC[n+]1c(C)sc2c(C)cc(C)cc12
34720 CCn1c(SCC=C)nc2sc-3c(CCc4ccccc-34)c2c1=O
34721 Cc1ccc(cc1NC=C1CCc2ccccc2C1=O)[N+]([O-])=O |w:8.8|
34722 O=C1OC(Nc2ccc3ncccc3c2)c2ccccc12
34723 COc1ccc(NC(=O)CSc2nc3CCN(C)Cc3c(-c3cccs3)c2C#N)cc1OC
34724 CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2n2ccccc12 |w:15.14|
34725 [H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)n1nc(nc1C)[N+]([O-])=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,5:3:11:6.9.8,THB:7:6:12:1.11.2,5:6:11:3.12.2|
34726 CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4cccc5cccc(C3=O)c45)cc12 |t:1|
34727 Cc1ccc(NCCC(=O)c2cccc(c2)[N+]([O-])=O)c(C)c1
34728 OCC[N-]c1c2NC3(CCCCC3)[N+](=O)c2ccc1[N+]([O-])=O
34729 [O-][N+](=O)c1ccc2c(NC3(CCCCC3)[N+]2=O)c1[N-]C1CCCCC1
34730 [O-][N+](=O)c1cc2OCOc2cc1\C=N\c1ccccc1
34731 [O-][N+](=O)c1cccc(c1)C(=O)CCNc1ccccc1
34732 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C(C)=C1 |w:15.15,c:18,23|
34733 Cc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2)cc1
34734 COc1cc(NC(=S)Nc2cccnc2)cc(OC)c1
34735 COc1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1
34736 CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
34737 Cc1ccc(cc1)-n1sc2ccccc2c1=O
34738 COc1ccc(cc1)N(C)C(=S)Nc1ccc2nc(C)c(C)nc2c1
34739 Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=O)NC3=O)cc2c1 |(13.85,-1.03,;12.52,-1.8,;12.52,-3.4,;11.13,-4.2,;9.75,-3.37,;8.41,-4.14,;7.08,-3.37,;5.75,-4.14,;7.08,-1.83,;5.75,-1.06,;5.75,.48,;4.41,1.25,;3.08,.48,;4.41,2.79,;5.75,3.56,;5.75,5.1,;7.08,2.79,;7.08,1.25,;8.41,.48,;8.41,-1.06,;9.75,-1.83,;11.13,-1.01,)|
34740 Oc1cc(-c2ccccc2)c2ccccc2c1
34741 Oc1ccccc1Oc1c(F)c(F)nc(N2CCCC2)c1F
34742 C[N-]c1c2NC3(CCCCC3)[N+](=O)c2ccc1[N+]([O-])=O
34743 N[n+]1cnn[c-]1\[NH+]=N\[CH-]c1ccc(o1)-c1ccccc1[N+]([O-])=O
34744 O=C1C=Cc2cc(=C3SC4CCc5ccccc5C4=N3)c(=O)oc2=C1 |w:7.7,c:2,20,27|
34745 Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O |w:7.7|
34746 Oc1cccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)c1 |w:8.8|
34747 Oc1cc(=O)[nH]c2nc(Nc3cccc(c3)C(F)(F)F)sc12
34748 [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:5,9|
34749 Fc1ccccc1Nc1nc-2c(CCc3ccccc-23)s1
34750 COc1ccc(cc1)-n1c(=S)[nH]c2sc-3c(CCc4ccccc-34)c2c1=O
34751 COc1cc(OC)c(cc1OC)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(10.68,5.5,;9.35,4.73,;9.35,3.19,;10.68,2.42,;10.68,.88,;12.01,.11,;13.35,.88,;9.35,.11,;8.01,.88,;8.01,2.42,;6.68,3.19,;6.68,4.73,;9.35,-1.43,;10.68,-2.2,;12.06,-1.38,;13.45,-2.17,;14.78,-1.39,;13.45,-3.77,;14.78,-4.55,;12.06,-4.56,;10.68,-3.74,;9.35,-4.51,;8.01,-3.74,;6.63,-4.56,;5.24,-3.77,;3.91,-4.55,;5.24,-2.17,;3.91,-1.39,;6.63,-1.38,;8.01,-2.2,)|
34752 OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+]([O-])=O
34753 C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
34754 Oc1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1O |w:7.7|
34755 Cc1c(sc(N)c1C#N)C(=O)N\N=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
34756 CN1CCc2nc(SCc3cccc(C)c3)c(C#N)c(-c3cccs3)c2C1
34757 CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 |w:10.9|
34758 Oc1ccc(Cl)cc1C=Nc1ccc2CCc3cccc1c23 |w:9.10|
34759 CC(C)(C)[N-]c1c2NC3(CCCCC3)[N+](=O)c2ccc1[N+]([O-])=O
34760 CC(C)C\[NH+]=C\[c-]1c2c3CCCCc3oc2cc([N+]([O-])=O)c1=O
34761 Oc1cc(=O)[nH]c2nc(Nc3ccc(F)cc3)sc12
34762 Cc1ccc(O)c(C=Nc2ccc3[nH]ncc3c2)c1 |w:8.8|
34763 Cc1ccc(cn1)C(=O)N\N=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
34764 COc1ccc2CCc3sc(N=Cc4cccc(OC)c4O)nc3-c2c1 |w:11.10|
34765 COc1ccc2CCc3sc(N=Cc4ccc(O)cc4)nc3-c2c1 |w:11.10|
34766 CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(cc2)S(=O)(=O)N2CCCC2)n1C
34767 COC1(NS(=O)(=O)c2ccc(C)cc2)C(Cl)=C(Cl)C(=O)c2ccccc12 |t:16|
34768 COc1ccc(CN=Nc2cc(nc(n2)N(C)C)N(C)C)cc1 |w:8.8|
34769 COc1ccc2CCc3sc(N=Cc4ccccc4O)nc3-c2c1 |w:11.10|
34770 COc1ccc2CCc3sc(N=Cc4c(O)ccc5ccccc45)nc3-c2c1 |w:11.10|
34771 CC(CC(=O)N1CCN(CC1)C=O)=NNC(=O)c1cc2ccccc2cc1O |w:13.14|
34772 COc1ccc2CCc3sc(N=Cc4ccc(O)c(OC)c4)nc3-c2c1 |w:11.10|
34773 [O-][N+](=O)c1cccc(NC=C2CCc3ccccc3C2=O)c1 |w:9.8|
34774 CC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 |t:3|
34775 CCN1c2ccccc2N(C)C1(C)c1ccccc1
34776 O=C(CNc1cccc2ccccc12)NN=Cc1ccc(OC(=O)\C=C\c2ccco2)cc1 |w:15.16|
34777 CCOC(=O)CNCCC(=O)c1ccc(Br)cc1
34778 CN(C)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8|
34779 CCC(=O)OCCNc1cc(SCCC(=O)OC)c2nonc2c1[N+]([O-])=O
34780 CCCC(=O)OCCNc1cc(SCCC(=O)OC)c2nonc2c1[N+]([O-])=O
34781 OCCNc1cc(N2CCC3(CC2)OCCO3)c2nonc2c1[N+]([O-])=O
34782 Cc1nn[c-](\[NH+]=N\[CH-]c2ccc(o2)-c2ccccc2[N+]([O-])=O)[n+]1N
34783 Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1 |w:13.13|
34784 Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(C1CCCCC1)c3=O
34785 [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:11,t:5|
34786 Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1
34787 Cn1ncc2c(NNC(=O)c3ccc(Cl)cc3Cl)ncnc12
34788 CCOC(=O)NC1(Nc2ccc(C)cc2)Oc2ccccc2O1
34789 CCOC(=O)c1sc(cc1C)N=Cc1c(O)ccc2ccccc12 |w:11.11|
34790 COc1ccccc1NC(=S)Nc1cccc2cnccc12
34791 CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1
34792 Cc1cc(N=Cc2c(O)ccc3cc(Br)ccc23)no1 |w:4.3|
34793 Cc1cc(C)c[n+](c1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
34794 CN(C(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(O)cc1
34795 Oc1cccc(C=NNC(=S)Nc2cccnc2)c1O |w:7.7|
34796 CC(=C)c1cc(O)c(C)cc1NOS(=O)(=O)c1ccccc1
34797 Cc1cc(\C=C2/C(=O)NC(=S)N(CC=C)C2=O)c(C)n1-c1cccnc1
34798 CCC=Nc1c(O)c2ccccc2c(O)c1N(C(C)=O)c1cccc(F)c1 |w:3.3|
34799 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2cc(-[#6])n(c2-[#6])-c2cccnc2)-[#6]-1=O
34800 CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccc(C)cc1 |w:9.10,c:1,5|
34801 CN(C(=S)Nc1ccc(SC(F)F)cc1)c1ccc(O)cc1
34802 CN(C)C=O.CC(C)c1ccc(cc1)N1C(=O)Cc2c1nc1[nH]c(C)nc3nc(N4CCCCC4)c(C#N)c2c13
34803 COCCN=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
34804 [#8]-c1ccc(-[#6]=[#7]\[#7]=[#6](/c2ccccc2)-c2ccccc2)c(-[#8])c1-[#8] |w:6.6|
34805 CN(CC(=O)Nc1ccc(C)cc1)C(=O)COc1cccc2cccnc12
34806 COc1ccccc1-n1c(SCC(=O)NCc2ccc3OCOc3c2)nc2cc(ccc12)[N+]([O-])=O |(14.39,3.28,;12.89,2.96,;11.86,4.11,;12.34,5.57,;11.31,6.72,;9.8,6.4,;9.32,4.94,;10.35,3.79,;9.87,2.33,;10.77,1.09,;12.31,1.09,;13.08,-.25,;14.62,-.25,;15.39,1.09,;15.39,-1.58,;16.93,-1.58,;17.7,-2.91,;16.93,-4.25,;17.7,-5.58,;19.24,-5.58,;20.27,-6.72,;21.67,-6.09,;21.51,-4.57,;20.01,-4.25,;19.24,-2.91,;9.87,-.15,;8.41,.32,;7.08,-.45,;5.75,.32,;5.75,1.86,;7.08,2.63,;8.41,1.86,;4.41,-.45,;3.08,.32,;4.41,-1.99,)|
34807 CC(C)N=c1scc(-c2cccs2)n1N=Cc1ccc(O)c(O)c1O |w:14.15,3.2|
34808 COc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
34809 Oc1ccc(C=NNC(=O)CCc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(O)c1O |w:6.6|
34810 COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(C)c3C)c2)cc1
34811 Cn1cnnc1SCc1ccc(cc1)C(=O)NN=C(CCC(O)=O)c1ccc(cc1)C(C)(C)C |w:17.18|
34812 CN(C(=S)Nc1cccnc1)c1ccc(O)cc1
34813 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)\C=C\c2ccccc2)c1
34814 CCOc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
34815 C=CCn1c(SCC(=O)N2N=C(CC2c2ccco2)c2ccco2)nnc1-c1ccncc1 |c:10|
34816 CC(=O)N(c1ccc(Br)cc1)c1c(O)c2ccccc2c(O)c1N=C
34817 CCOC(=O)C(Nc1ccc2ccccc2c1)C(=O)OCC
34818 COc1cc(CN2CCN(CC2)c2ccccc2F)c(cc1OC)[N+]([O-])=O
34819 COCCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
34820 Cc1cccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)c1 |w:8.8|
34821 [O-][N+](=O)c1cccc(c1)C(=O)N[N-][CH+]c1ccc(o1)N1CCOCC1
34822 Cc1nc2cccc3cccc(n1C)c23
34823 CCOc1cc(CNc2ccc(cc2)N2CCCC2)cc(Cl)c1OC
34824 CC(C)(C)c1cc(=O)n([nH]1)-c1ccccc1
34825 CCOC(=O)C(C)C1=NC(C)(C)Cc2ccccc12 |t:7|
34826 CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1
34827 [O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
34828 COc1cc(NC(C)=O)c2ncccc2c1[N+]([O-])=O
34829 COc1cc(C=NNC(=O)c2cc3ccccc3cc2O)ccc1OCCN1CCCCC1 |w:6.6|
34830 C(N=Nc1cc(nc(n1)N1CCOCC1)N1CCOCC1)c1ccccc1 |w:2.2|
34831 Cc1ccc(\C=N\c2cc(C)ccc2O)s1
34832 [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
34833 Fc1ccc(Cn2cnc3cccc4cccc2c34)cc1
34834 C(c1ccccc1)n1cnc2cccc3cccc1c23
34835 OC(=O)CNC(=O)Cc1sc(NNc2csc(=O)[nH]2)nc1O
34836 O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1cccnc1)C(=S)NCc1ccco1
34837 COc1ccc(Nc2c(ccc3=NC4(CCCCC4)N=c23)[N+]([O-])=O)cc1 |t:11,20|
34838 CCOC(=O)N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1
34839 Oc1ccc(C=NNC(=O)CCN2CCN(CC2)c2ccccc2)c(O)c1O |w:6.6|
34840 CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1ccc(O)c(O)c1O |w:15.16|
34841 OCCN(CCO)c1ccc2ccccc2c1
34842 O=C(CNc1cccc2ccccc12)NN=C\C=C\c1ccco1 |w:15.16|
34843 [O-][N+](=O)c1ccc2c(NC3(CCCCC3)[N+]2=O)c1[N-]CCc1ccccc1
34844 Cn1cccc1\C=C1/CCc2ccccc2C1=O
34845 CCN1\C(=C\c2cc[n+](CC=C)c3ccccc23)C=Cc2cc(C)ccc12 |c:20|
34846 CN(C)c1ccc(cc1)[N+](\[O-])=C\c1ccc(C)c2nsnc12
34847 COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC=C
34848 CN1C=C\C(=C/c2cc[n+](C)c3ccccc23)c2ccccc12 |c:2|
34849 Cc1ccccc1-n1sc2cc(F)ccc2c1=O
34850 CC(=NNC(=O)CNc1cccc2ccccc12)c1ccccc1 |w:2.2|
34851 Cc1c(Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12
34852 Cn1cc2ccc(N)cc2n1
34853 Nc1cc2nn(nc2cc1Cl)-c1ccccc1
34854 Oc1ccc2ccccc2c1C=NC1CCCCC1 |w:12.14|
34855 Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
34856 CCOC(=O)c1c(N)scc1-c1ccc(C)s1
34857 Oc1c(CN2CCOCC2)ccc2ccccc12
34858 Cc1cccc(NCc2ccc(O)c3ncccc23)c1C
34859 Cc1cccc(NCc2ccc(O)c3ncccc23)c1
34860 CCOC(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
34861 OCCC1CN(Cc2c(O)ccc3ccccc23)CCN1CCc1ccccc1
34862 OC(=O)CCCc1sccc1N=Nc1c(O)ccc2ccccc12 |w:11.11|
34863 COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(cc1OC)[N+]([O-])=O |w:5.4|
34864 CCc1cccc(C)c1NC(=S)NCC1CCN(C1)c1ccc(OC)cc1
34865 Fc1cccc(Cl)c1CNc1ccc(cc1)N1CCCC1
34866 CCC1(CC)Cc2ccccc2C2=C(C(=O)N3CCCCC3)C(=O)C(=O)N12 |c:13|
34867 Clc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)c(Cl)c1
34868 CCn1c(C)nc2cc(ccc12)C(=O)NN=Cc1cccc(O)c1O |w:15.16|
34869 Cc1cccc(c1)-n1c(=S)[nH]c2sc-3c(CCc4ccccc-34)c2c1=O
34870 Oc1cccc(C=NNC(=S)NCCN2CCOCC2)c1O |w:7.7|
34871 C=CCn1cnc2cccc3cccc1c23
34872 FC(F)Oc1cccc(NC(=S)N2CCN(CC2)c2ccccn2)c1
34873 Cc1cccc(NCCC(=O)c2ccc(cc2)[N+]([O-])=O)c1C
34874 COc1ccc(-c2ccc(o2)C(O)=O)c(c1)[N+]([O-])=O
34875 [O-][N+](=O)c1ccc(cc1)C(=O)CCNc1ccc(Cc2ccncc2)cc1
34876 C1Sc2nnc(-c3ccco3)n2N=C1c1ccccc1 |c:14|
34877 Fc1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1
34878 CCOc1c(O)ccc(C=C2SC(S)=NC2=O)c1[N+]([O-])=O |w:9.8,c:13|
34879 CCOc1c(Cl)cc(CNc2ccc(cc2)N2CCCC2)cc1OC
34880 NC(=O)c1ccc(cc1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
34881 COc1ccc2CCc3sc(N)nc3-c2c1
34882 OC(=O)c1cc(ccc1Cl)N1N=C(\C(=C\C=C\c2ccco2)C1=O)C(F)(F)F |c:12|
34883 CCOC(=O)c1ccc(CC(=O)c2ccc(O)c(O)c2O)o1
34884 Cc1ccc(NCc2ccc(O)c3ncccc23)cc1C
34885 Cc1ccc(NCc2ccc(O)c3ncccc23)cc1
34886 CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1
34887 CC1CCCN(C1)C(=S)SCC(=O)c1cc(Br)cc(Br)c1O
34888 [O-][N+](=O)c1ccc(\C=N\c2cccc3ccccc23)s1
34889 Cc1cc(=O)n2cccc(O)c2n1
34890 OCCNc1cc(N2CCCCC2)c2nonc2c1[N+]([O-])=O
34891 CCOC(=O)c1c(N)scc1-c1cccs1
34892 CCn1c2ccc(N)cc2n(CC)c1=O
34893 CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
34894 Cc1cccc(Oc2c([N+]([O-])=O)c(=O)n(C)c3ccccc23)c1
34895 Cc1ccc2cc(N)ccc2n1
34896 [O-][N+](=O)c1cc(c(Nc2ccccn2)c(c1)[N+]([O-])=O)[N+]([O-])=O
34897 COc1ccc(cc1)N(C)C(=O)Nc1ccc2nsnc2c1
34898 Brc1ccc(cc1)C(=O)CCN1CCOCC1
34899 CCCCc1c(C)nc2ccc(Br)cc2c1SC(N)N
34900 Cc1c(CN2CCCCC2)c(O)n(CCO)c(=O)c1C#N
34901 CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
34902 CC1(C)Cc2ccccc2C2=NNC(=O)C2=N1 |c:17,t:11|
34903 COc1ccc(NC=C2CCc3ccccc3C2=O)cc1 |w:7.6|
34904 Nc1ccc2OC3(CCCCC3)Oc2c1
34905 CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
34906 CCOC(=O)c1nn(-c2ccccc2C)c(=O)c2c(N)scc12
34907 Cc1cc(C)c2cc(C=O)c(Cl)nc2c1
34908 CCC(C)c1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc(C(C)=CC)c1O |w:26.28|
34909 CC1(C)Cc2c(CO1)sc1ncn3c(n[nH]c3=S)c21
34910 CCN(CC)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1
34911 CC[n+]1ccc(\C=C2/C=Cc3ccccc3N2C)c2ccc(C)cc12 |c:8|
34912 CCN(CC)C(=S)SC1=CCS(=O)(=O)C1 |t:8|
34913 CCOC(=O)C1=C(C)NC(=O)CC1c1cc2OCOc2cc1[N+]([O-])=O |c:5|
34914 CCOc1ccc(\C=N\c2cccc3ncccc23)cc1
34915 CC(C)CCSc1cc(NCCO)c([N+]([O-])=O)c2nonc12
34916 COc1ccc(c(OC)c1)-n1c(=S)[nH]c2n(-c3ccccc3)c(=S)sc2c1=O |(.95,.95,;.95,2.49,;2.29,3.26,;3.62,2.49,;4.96,3.26,;4.96,4.8,;3.62,5.57,;3.62,7.11,;2.29,7.88,;2.29,4.8,;6.29,5.57,;6.29,7.11,;4.96,7.88,;7.62,7.88,;8.96,7.11,;10.41,7.58,;10.89,9.05,;12.4,9.37,;12.88,10.83,;11.85,11.98,;10.34,11.66,;9.86,10.19,;11.31,6.34,;12.85,6.34,;10.41,5.11,;8.96,5.57,;7.62,4.8,;7.62,3.26,)|
34917 Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
34918 CN(C)c1cc(N=NCc2ccc(Cl)cc2)nc(n1)N(C)C |w:6.5|
34919 CC1CCCCN1C(=S)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1
34920 COc1ccc(CNc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)cc1
34921 Fc1ccc(cc1)C(=O)CSc1ccc(nn1)-c1ccccn1
34922 OCc1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
34923 Cc1cc(C)n(n1)-c1nnc(nn1)N1CCN(CC1)c1ccc(F)cc1
34924 COc1ccc2c(C#N)c3ccccn3c2c1
34925 Oc1ccc(F)c2cccnc12
34926 CCOC(=O)COc1ccc2c(C#N)c3ccccn3c2c1
34927 COc1ccc(Cc2nnc(S)s2)cc1
34928 Fc1ccc(\N=c2/ssnc2Cl)c(F)c1
34929 CN(C)\C=C1/Oc2ccc3ccccc3c2C1=O
34930 C(=N/c1cccc2c(cccc12)\N=C\c1ccco1)\c1ccco1
34931 [O-][N+](=O)c1ccc2Oc3ccccc3N=Cc2c1 |c:15|
34932 CCn1c(C)c(CS(=O)(=O)c2ccccc2)[nH]c1=O
34933 CC1(C)CNc2cc(N)ccc2S1
34934 O=Cc1ccnc(n1)-c1ccc(OC(=O)c2ccco2)cc1
34935 CC(C=Cc1ccco1)=NNC(=O)CNc1ccc2ccccc2c1 |w:9.10,2.1|
34936 Nc1cc2nc[nH]c2cc1N
34937 CCOC(=O)N1CCN(CC1)c1cc(NCCO)c([N+]([O-])=O)c2nonc12
34938 OC(=O)CN1C(=S)S\C(=C/c2ccc(SCc3ccccc3)o2)C1=O
34939 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O |t:1|
34940 OC(=O)c1ccc(C=NNC(=O)CNc2ccc3ccccc3c2)cc1 |w:8.8|
34941 CC(=O)NNC(=O)c1sc(=S)n2c1[nH]c(=O)c1sccc21
34942 COc1ccc(Nc2nc3[nH]c(=O)cc(O)c3s2)cc1
34943 CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
34944 NC(=O)COc1ccc2c(C#N)c3ccccn3c2c1
34945 Cc1c(C(O)=O)c(nc2ccc(cc12)N1CCOCC1)C(O)=O
34946 OC(=O)\C=C\C(=O)Nc1ccc2OCC(=O)Nc2c1
34947 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NCCCOC
34948 Cc1ccccc1NC(=S)Nc1cccc2cnccc12
34949 COc1ccc(OCc2n[nH]c(=S)n2N)cc1
34950 CC1N(C)c2ccc(NC(C)=O)cc2C1(C)C
34951 CN1C(=C)C(C)(C)c2cc(N)c(cc12)[N+]([O-])=O
34952 [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6](Br)-[#6](=O)-[#6](Br)=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:11,t:5|
34953 Cc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
34954 Nc1ccccc1NC1CCCCC1
34955 CCN(C(=S)Nc1cccnc1)c1cccc2ccccc12
34956 COc1ccc(cc1)C(=O)CNc1ccc2ccccc2c1
34957 CCCCN1C(=O)\C(=N/c2cccc3cnccc23)c2ccccc12
34958 CCC1Cc2c(O1)nc(N)c1c(N)nc(N3CCCCC3)c(C#N)c21
34959 CN(C)c1cccc2c(ccc(N(C)C)c12)C#N
34960 O=c1n(sc2ccccc12)-c1nccs1
34961 Nc1nc2N(C3CC3)C(=O)Cc2c2c(C#N)c(nc(N)c12)N1CCN(CC1)c1ccc(F)cc1
34962 CCOC(=O)c1c(C)oc2c1c(CN1CCN(CCO)CC1)c(O)c1ccccc21
34963 COCC(C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCN(CC3)c3ccccc3F)c(C#N)c21
34964 CCOC(=O)c1c(C)oc2c1c(C=NCCC(O)=O)c(O)c1ccccc21 |w:13.14|
34965 CCN(Cc1ccncc1)Cc1c(O)ccc2ccccc12
34966 CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
34967 COCCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1O |w:15.16,4.3|
34968 CCN1CCN(CC1)C(=O)C(C)Nc1cc(Cl)c(OC)cc1OC
34969 COCCN1C(=O)Cc2c1nc(N)c1c(N)nc(N3CCN(CC3)c3ccc(F)cc3)c(C#N)c21
34970 CN(C)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccc3cn[nH]c3c2)c1
34971 Oc1ccc(C=NN2CCOCC2)c(O)c1O |w:6.6|
34972 Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O |w:6.6|
34973 CN(CC(=O)Nc1ccc(cc1)N1CCOCC1)Cc1c(O)ccc2ccccc12
34974 Oc1ccc(C=NN(Cc2ccccc2)c2ccccc2)c(O)c1O |w:6.6|
34975 Nn1c(Cc2ccc(Br)cc2)n[nH]c1=S
34976 COc1cc(NC(c2ccccc2)c2ccccc2)cc(OC)c1OC
34977 CCOC(=O)c1c(C)oc2c1c(C=NCCO)c(O)c1ccccc21 |w:13.14|
34978 Cc1cc(C(=O)NN=Cc2ccc(O)c(O)c2O)c(C)n1-c1ccccc1 |w:7.6|
34979 CCN(Cc1ccncc1)Cc1c(O)ccc2cc(Br)ccc12
34980 [O-][N+](=O)c1ccc2n(-c3ccccc3)c(=S)[nH]c2c1
34981 Oc1c(O)c(=O)[nH]c2ccccc12
34982 CN=c1scc(-c2ccccc2F)n1N=Cc1ccc(O)c(O)c1O |w:14.15,1.0|
34983 Clc1ccc2sc3c(nc[nH]c3=O)c2c1
34984 CN(C)Cc1nc2c3cc(Cl)ccc3sc2c(=O)[nH]1
34985 Clc1ccc2sc3c(nc(CN4CCCCC4)[nH]c3=O)c2c1
34986 Clc1ccc2sc3c(nc(CN4CCCNC4)[nH]c3=O)c2c1
34987 Clc1ccc2sc3c(nc(CN4CCOCC4)[nH]c3=O)c2c1
34988 O[C@H]1CCN(Cc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)C1 |r|
34989 O[C@@H]1CCN(Cc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)C1 |r|
34990 OC1CCCN(Cc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)C1
34991 OC1CCN(Cc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)CC1
34992 CNCc1nc2c3cc(Cl)ccc3sc2c(=O)[nH]1
34993 CN(C)CCc1nc2c3cc(Cl)ccc3sc2c(=O)[nH]1
34994 CN(C)CCCc1nc2c3cc(Cl)ccc3sc2c(=O)[nH]1
34995 Clc1ccc2sc3c(nc(CNc4ccccc4)[nH]c3=O)c2c1
34996 Oc1ccccc1NCc1nc2c3cc(Cl)ccc3sc2c(=O)[nH]1
34997 Oc1cccc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
34998 Oc1ccc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)cc1
34999 COc1cccc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
35000 Oc1cc(O)cc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
35001 Cc1c(O)cccc1NCc1nc2c3cc(Cl)ccc3sc2c(=O)[nH]1
35002 Cc1ccc(NCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)cc1O
35003 Oc1cccc(CCNCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
35004 Oc1cccc(OCc2nc3c4cc(Cl)ccc4sc3c(=O)[nH]2)c1
35005 CN(C)Cc1nc2c3cc(Br)ccc3sc2c(=O)[nH]1
35006 CN(C)Cc1nc2c3ccccc3sc2c(=O)[nH]1
35007 CN(C)Cc1nc2c3cc(C)ccc3sc2c(=O)[nH]1
35008 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)C(F)(F)F
35009 CCc1ccc2sc3c(nc(CN(C)C)[nH]c3=O)c2c1
35010 CC(C)c1ccc2sc3c(nc(CN(C)C)[nH]c3=O)c2c1
35011 CN(C)Cc1nc2c3cc(C=C)ccc3sc2c(=O)[nH]1
35012 CN(C)Cc1nc2c3cc(\C=C\C4CC4)ccc3sc2c(=O)[nH]1
35013 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)C#C
35014 CN(C)CC#Cc1ccc2sc3c(nc(CN(C)C)[nH]c3=O)c2c1
35015 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)C#CCCCCN1CCCCC1
35016 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccccc1
35017 CC(c1ccccc1)c1ccc2sc3c(nc(CN(C)C)[nH]c3=O)c2c1
35018 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(F)c1
35019 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(Cl)c1
35020 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(OC(F)(F)F)c1
35021 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccc(O)c1
35022 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccccc1C
35023 CCc1ccc(cc1)-c1ccc2sc3c(nc(CN(C)C)[nH]c3=O)c2c1
35024 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(cc1)C#N
35025 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(O)cc1
35026 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(N)cc1
35027 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OC(F)(F)F)cc1
35028 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(O)c(F)c1
35029 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(cc1)N(C)C
35030 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(Cl)c(F)c1
35031 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cc(F)cc(Cl)c1
35032 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cc(Cl)cc(Cl)c1
35033 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccsc1
35034 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc[nH]1
35035 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccoc1
35036 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cscc1C
35037 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cccnc1
35038 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1cncnc1
35039 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)N1CCCC1
35040 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)N1CCCCC1
35041 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCC(O)CO)cc1
35042 CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCCCN)cc1
35043 Oc1cccc(NCc2nc3c4cc(Br)ccc4sc3c(=O)[nH]2)c1
35044 Oc1cccc(NCc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccsc2)c1
35045 Oc1cccc(NCc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccccc2)c1
35046 O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccsc2)C1 |r|
35047 O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccccc2)C1 |r|
35048 O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r|
35049 O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(cc2)C#N)C1 |r|
35050 O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r|
35051 Clc1ccc(Cl)c2c3nc[nH]c(=O)c3sc12
35052 Clc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12
35053 CCC(CO)Nc1ccc2ncc(-c3ccc(F)c(Cl)c3)n2n1
35054 CC(C)CCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
35055 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
35056 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Cl)cc1)C(=O)NCCc1ccc(Cl)cc1
35057 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCc1ccc(Cl)cc1
35058 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCc1ccc(Br)cc1
35059 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccccc1)C(=O)NCCCc1ccc(Br)cc1
35060 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCc1ccccc1
35061 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
35062 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
35063 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(C)cc1)C(=O)NCCc1ccc(Br)cc1
35064 CC(C)CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O)C(=O)NCCc1ccc(Br)cc1
35065 COc1ccc(CCCNC(=O)N(CCC(N)=O)CC(CCC(O)=O)N(CC(CCCCN)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC(C)C)C(=O)NCCc2ccc(Br)cc2)cc1
35066 CC(C)CCCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1
35067 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccccc1
35068 COc1ccc(CCCNC(=O)N(CC(CCC(O)=O)NC(N)=O)C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc2ccc(Br)cc2)C(=O)NCCc2ccc(Br)cc2)cc1
35069 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(cc1)[N+]([O-])=O
35070 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCc1ccc(Br)cc1
35071 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(N)=O)C(=O)NCCCC1CCCCC1
35072 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)Nc1ccccc1)C(=O)NCCCC1CCCCC1
35073 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC=C)C(=O)NCCCC1CCCCC1
35074 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)NCC1CCCCC1)C(=O)NCCCC1CCCCC1
35075 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)[C@@H]1CCCN1)C(=O)NCCCC1CCCCC1 |r|
35076 CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
35077 NCCCCC(CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(Br)cc1)N(CC(CCC(O)=O)NC(=O)CCC1CCCCC1)C(=O)NCCCC1CCCCC1
35078 CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1
35079 CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(Br)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
35080 CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
35081 CC(C)CCC(=O)NC(CCC(O)=O)CN(C(CCCCN)CN(C(CCC(O)=O)CN(CCC(N)=O)C(=O)NCCCCc1ccc(F)cc1)C(=O)NCCc1ccc(C)cc1)C(=O)NCCCC1CCCCC1
35082 COCc1cc(NC(=O)c2ccc(Br)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
35083 CC(C)CCC(=O)N[C@@H](CCCC(O)=O)CN([C@@H](CCCCN)CN([C@@H](CCCC(O)=O)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1 |r|
35084 NCCCC[C@@H](CN([C@@H](CCCCN)CN([C@@H](CCCCN)CN(CCC(N)=O)C(=O)NCCCc1ccc(F)cc1)C(=O)NCCc1ccc(Br)cc1)C(=O)NCCCC1CCCCC1)NC(N)=O |r|
35085 CC(C)CCC(=O)NC(CCC(O)=O)CN(CCCCCC1CCCCC1)C(CCCCN)CN(CCCCc1ccc(Br)cc1)C(CCC(O)=O)CN(CCCCCc1ccc(F)cc1)CCC(N)=O
35086 COCc1cc(NC(=O)c2ccc(Cl)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
35087 COC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
35088 OCc1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
35089 CC(C)(O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
35090 OCc1cccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)c1
35091 OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
35092 OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(Cl)cccc23)-c2ccccc2)cc1
35093 COC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)c1
35094 Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F
35095 COC(=O)c1ccc(Oc2cccc(c2)-c2c(C)cnc3c(cccc23)C(F)(F)F)cc1
35096 Cc1cnc2c(cccc2c1-c1cccc(Oc2ccc(CO)cc2)c1)C(F)(F)F
35097 COC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
35098 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(CO)c2)c1
35099 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(C)(C)O)c1
35100 COc1ccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
35101 Oc1ccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
35102 CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
35103 CC(C)NC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
35104 CCN(CC)C(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
35105 FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCC2)c1
35106 FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
35107 FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCOCC2)c1
35108 CNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
35109 CCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
35110 CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
35111 CC(C)NC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
35112 CCN(CC)C(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
35113 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCCC2)c1
35114 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
35115 Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(=O)N2CCOCC2)c1
35116 Cc1c(Nc2c(\C=C\CN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
35117 Cc1c(Nc2c(\C=C\CCN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
35118 Cc1c(Nc2c(\C=C\CCCN3CCCCC3)cncc2C#N)ccc2[nH]ccc12
35119 Cc1c(Nc2c(\C=C\CN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
35120 Cc1c(Nc2c(\C=C\CCN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
35121 Cc1c(Nc2c(\C=C\CCCN3CCOCC3)cncc2C#N)ccc2[nH]ccc12
35122 CN1CCN(C\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35123 CN1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35124 CN1CCN(CCC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35125 Cc1c(Nc2c(\C=C\CN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
35126 Cc1c(Nc2c(\C=C\CCN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
35127 Cc1c(Nc2c(\C=C\CCCN3CCNCC3)cncc2C#N)ccc2[nH]ccc12
35128 Cc1c(Nc2c(\C=C\CN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
35129 Cc1c(Nc2c(\C=C\CCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
35130 Cc1c(Nc2c(\C=C\CCCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
35131 Cc1c(Nc2c(\C=C\CN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
35132 Cc1c(Nc2c(\C=C\CCN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
35133 Cc1c(Nc2c(\C=C\CCCN3CCC(O)CC3)cncc2C#N)ccc2[nH]ccc12
35134 CNC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35135 CN(C)C1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35136 Cc1c(Nc2c(\C=C\CCN3CCC(CN)CC3)cncc2C#N)ccc2[nH]ccc12
35137 Cc1c(Nc2c(\C=C\CCN3CCC[C@@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35138 Cc1c(Nc2c(\C=C\CCN3CCC[C@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35139 Cc1c(Nc2c(\C=C\CCN3CC(N)C3)cncc2C#N)ccc2[nH]ccc12
35140 Cc1c(Nc2c(\C=C\CCN3CC[C@@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35141 Cc1c(Nc2c(\C=C\CCN3CC[C@H](N)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35142 Cc1c(Nc2c(\C=C\CCN3CCC(CC3)NS(C)(=O)=O)cncc2C#N)ccc2[nH]ccc12
35143 CCS(=O)(=O)NC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35144 CC(C)S(=O)(=O)NC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35145 Cc1c(Nc2c(\C=C\CCN3CCC(CC3)NS(=O)(=O)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
35146 CC(=O)NC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35147 COC1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35148 Cc1c(Nc2c(\C=C\CCN3CCC(CO)CC3)cncc2C#N)ccc2[nH]ccc12
35149 Cc1c(Nc2c(\C=C\CCN3CCC(CC3)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
35150 Cc1c(Nc2c(\C=C\CCN3CC[C@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35151 Cc1c(Nc2c(\C=C\CCN3CC[C@@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35152 Cc1c(Nc2c(\C=C\CCN3CCC[C@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35153 Cc1c(Nc2c(\C=C\CCN3CCC[C@@H](O)C3)cncc2C#N)ccc2[nH]ccc12 |r|
35154 Cc1c(Nc2c(\C=C\CCN3CCCNCC3)cncc2C#N)ccc2[nH]ccc12
35155 Cc1c(Nc2c(\C=C\CCN3CCN(CC3)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
35156 CC(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35157 Cc1c(Nc2c(\C=C\CCN3CCN(CC3)C(=O)C(C)(C)C)cncc2C#N)ccc2[nH]ccc12
35158 Cc1c(Nc2c(\C=C\CCN3CCN(CC3)S(C)(=O)=O)cncc2C#N)ccc2[nH]ccc12
35159 CCS(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35160 CC(C)S(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
35161 Cc1c(Nc2c(\C=C\CCN3CCN(CC3)S(=O)(=O)c3ccccc3)cncc2C#N)ccc2[nH]ccc12
35162 Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCC(N)CC1
35163 Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCC(CC1)NS(C)(=O)=O
35164 Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCNCC1
35165 Cc1c(Nc2c(CCCCN3CCC(N)CC3)cncc2C#N)ccc2[nH]ccc12
35166 COc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35167 COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35168 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1
35169 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(CO)cc1
35170 COc1ccc(c(OC)c1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35171 COc1ccccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35172 COc1cc(F)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35173 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(N)cc1
35174 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1cccc(N)c1
35175 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(N)c(F)c1
35176 COc1cc(ccc1N)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35177 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(CN)cc1
35178 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(NC(C)=O)cc1
35179 CNc1ccc(cc1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35180 CN(C)c1ccc(cc1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35181 COc1cc(N)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
35182 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(O)=O
35183 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(C)=O
35184 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(N)=O
35185 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)S(N)(=O)=O
35186 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1
35187 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2ncccc2c1
35188 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2c[nH]nc2c1
35189 CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2ccoc2c1
35190 Oc1ccc(cc1)-c1nc2[nH]nc(C(=O)NC3CC3)c2cc1Br
35192 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(F)cc1 |r,c:4|
35193 COc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)cc1 |r,c:27|
35194 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cc1 |r,c:4|
35195 CC(=O)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)cc1 |r,c:28|
35196 CC(C)(C)c1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)cc1 |r,c:29|
35197 Cc1cc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)ccc1F |r,c:25|
35198 COc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)c(Cl)c1 |r,c:27|
35199 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccn1 |r,c:4|
35200 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccc(Cl)cn1 |r,c:4|
35201 Cc1cccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)n1 |r,c:27|
35202 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cccnc1 |r,c:4|
35203 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1cncc(Cl)c1 |r,c:4|
35204 Cc1ncccc1OC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:29|
35205 COC(=O)c1cncc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)c1 |r,c:30|
35206 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1CN1CCOCC1 |r,c:4|
35207 CCOC(=O)N1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)CC1 |r,c:29|
35208 CN1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc3N4CC(C)(C)CN=C4C(=O)c3c2)CC1 |r,c:25|
35209 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1CNC1CCCCC1 |r,c:4|
35210 CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)C(=O)N1CCC[C@H]1COc1ccccc1 |r,c:4|
35211 COC[C@@H]1CCCN1C(=O)c1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |r,c:21|
35212 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccccc3)cc1C2=O |c:4|
35213 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccccc3F)cc1C2=O |c:4|
35214 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc1C2=O |c:4|
35215 COc1cccc(c1)S(=O)(=O)Nc1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |c:23|
35216 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc1C2=O |c:4|
35217 COc1ccc(cc1)S(=O)(=O)Nc1ccc2N3CC(C)(C)CN=C3C(=O)c2c1 |c:23|
35218 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc1C2=O |c:4|
35219 CC1(C)CN=C2N(C1)c1ccc(NS(=O)(=O)c3ccc(F)cc3)cc1C2=O |c:4|
35220 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCC4)CN=C3C(=O)c2c1 |r,c:24|
35221 O=C1C2=NCC3(CCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
35222 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCCC4)CN=C3C(=O)c2c1 |r,c:25|
35223 O=C1C2=NCC3(CCCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
35224 COC[C@@H]1CCCN1S(=O)(=O)c1ccc2N3CC4(CCCCC4)CN=C3C(=O)c2c1 |r,c:26|
35225 O=C1C2=NCC3(CCCCC3)CN2c2ccc(cc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r,t:2|
35226 CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1 |r|
35228 null
35229 CNCCCN1c2ccccc2CCc2ccccc12
35230 CNC[C@@H](O)[C@H](c1ccccc1)n1cc(C)c2ccccc12 |r|
35231 CN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35232 CCN(C)CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35233 CN(C)CCc1ccc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
35234 NCC(O)c1ccc(O)c(O)c1
35235 CCN(C)CCc1ccc2[nH]cc(c2c1)S(=O)(=O)c1ccccc1
35236 CN(C)CCc1ccc2c(c[nH]c2c1)S(=O)(=O)c1ccccc1
35237 CCN(C)CCc1ccc2c(c[nH]c2c1)S(=O)(=O)c1ccccc1
35238 CN(C)CCc1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
35239 CCN(C)CCc1cccc2c(c[nH]c12)S(=O)(=O)c1ccccc1
35240 NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35241 CNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35242 CCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35243 CCCNCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35244 CC(C)NCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35245 O=S(=O)(c1c[nH]c2cccc(CCNC3CCCC3)c12)c1ccccc1
35246 O=S(=O)(c1c[nH]c2cccc(CCN3CCCC3)c12)c1ccccc1
35247 O=S(=O)(c1c[nH]c2cccc(CCN3CCCCC3)c12)c1ccccc1
35248 O=S(=O)(c1c[nH]c2cccc(CCN3CCCCCC3)c12)c1ccccc1
35249 CC1CCCCN1CCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35250 CC1CCCN(CCc2cccc3[nH]cc(c23)S(=O)(=O)c2ccccc2)C1
35251 CCN(C)CCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35252 CC(C)NCCCc1cccc2[nH]cc(c12)S(=O)(=O)c1ccccc1
35253 O=S(=O)(c1c[nH]c2cccc(CCCN3CCCCC3)c12)c1ccccc1
35254 CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
35255 CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12 |t:6|
35256 [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
35257 CC(C)[C@H](NC(=O)COc1ccc(OCC(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35259 CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35260 CC(C)[C@H](NC(=O)Cn1c(=O)ccn(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35261 CC(C)[C@H](NC(=O)Cn1cc(C)c(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35262 CC(C)[C@H](NC(=O)CN1C(=O)CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35263 CC(C)[C@H](NC(=O)Cn1nc(C)c(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35264 CC(C)[C@H](NC(=O)Cn1ncc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35265 CC(C)[C@H](NC(=O)Cn1cc(O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35266 CC(C)[C@H](NC(=O)Cn1c(O)cn(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35267 CC(C)[C@H](NC(=O)CN1C(=O)N(CC(O)=O)C(=O)C1(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35268 CC(C)[C@H](NC(=O)CN1C(=O)N(CC(O)=O)C(C)(C)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35269 CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35270 CC(C)[C@H](NC(=O)CN1CC(=O)N(CC(O)=O)CC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35271 CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35272 CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)CC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 |r|
35273 CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1ccccc1 |r|
35274 CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(=O)NCc1ccccc1 |r|
35275 COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(C)C)C(C)C |r|
35276 COC(=O)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN1CCN(CC(O)=O)C(=O)C1=O)C(C)C)C(C)C |r|
35277 CC(C)[C@H](NC(=O)Cn1ccc(=O)n(CC(O)=O)c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
35278 CC(C)[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
35279 CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
35280 CC(C)[C@H](NC(=O)CN1CCN(CC(O)=O)C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)F |r|
35281 COCc1cc(NC(=O)c2ccc(F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
35282 COCc1cc(NC(=O)c2ccc(cc2)C(F)(F)F)cc(c1)C1(C)CCSC(N)=N1 |c:30|
35283 Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
35284 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)N[N+]([O-])=O |r,w:10.11|
35285 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NS(C)(=O)=O |r,w:10.11|
35286 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NS(N)(=O)=O |r,w:10.11|
35287 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NS(=O)(=O)c1ccccc1 |r,w:10.11|
35288 CC(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:22.24|
35289 CCOC(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:24.26|
35290 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(N)=O |r,w:10.11|
35291 CN(C)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:24.26|
35292 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccccc1 |r,w:10.11|
35293 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1cccc(Cl)c1 |r,w:10.11|
35294 COC(=O)c1cccc(c1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:31.34|
35295 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1cccc(c1)C(=O)ON |r,w:10.11|
35296 CN(C)OC(=O)c1cccc(c1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:33.36|
35297 COC(=O)c1ccc(cc1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:31.34|
35298 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc(cc1)C(O)=O |r,w:10.11|
35299 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc(cc1)C(=O)ON |r,w:10.11|
35300 CN(C)OC(=O)c1ccc(cc1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:33.36|
35301 COC(=O)c1ccc(nc1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:31.34|
35302 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1cccnc1 |r,w:10.11|
35303 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccncc1 |r,w:10.11|
35304 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1cnccn1 |r,w:10.11|
35305 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccoc1 |r,w:10.11|
35306 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccsc1 |r,w:10.11|
35307 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1cnn(C)c1 |r,w:10.11|
35308 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1nnn(C)n1 |r,w:10.11|
35309 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc[n+]([O-])c1 |r,w:10.11|
35310 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1cncc(c1)C(N)=O |r,w:10.11|
35311 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc(C)nc1 |r,w:10.11|
35312 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc(Cl)nc1 |r,w:10.11|
35313 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc(nc1)C(O)=O |r,w:10.11|
35314 Cc1cc2cc(ccc2o1)N=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)NC(=O)c1ccc(nc1)C(N)=O |r,w:10.11|
35315 CNC(=O)c1ccc(cn1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:31.34|
35316 CN(C)C(=O)c1ccc(cn1)C(=O)NC(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)=Nc1ccc2oc(C)cc2c1 |r,w:32.35|
35317 CNc1ncc2cc(ccc2n1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
35318 Cc1ccc2c(Nc3cccc(c3)C(F)(F)F)nccc2c1Nc1ncccc1-c1ccncn1
35319 Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ccncn1
35320 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
35321 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12
35322 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3cccc(c3)C#C)nccc12
35323 CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc4sc(C)nc4c3)nccc12
35324 CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12
35325 CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3cc(nn3C)C(C)(C)C)nccc12
35326 CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc4c(NC(=O)C4(C)C)c3)nccc12
35327 Cc1ccc2c(Nc3ccc(Cl)cc3)nccc2c1Nc1ncccc1-c1ncnc2nc[nH]c12
35328 CCCNc1cccn(CC(=O)NCc2ccccc2)c1=O
35329 CCCNc1cccn(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1=O
35330 O=C(Cn1cccc(NCc2ccccc2)c1=O)NCc1ccccc1
35331 Clc1ccc(CNC(=O)Cn2cccc(NCc3ccccc3)c2=O)cc1Cl
35332 OC[C@H](Cc1ccccc1)NC(=O)Cn1cccc(NCc2ccccc2)c1=O |r|
35333 OC[C@@H](NC(=O)Cn1cccc(NCc2ccccc2)c1=O)c1ccccc1 |r|
35334 O=C(Cn1cccc(NCc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1
35335 COc1ccccc1CNC(=O)Cn1cccc(NCc2ccccc2)c1=O
35336 CC(=O)Nc1cccn(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1=O
35337 Clc1ccc(CNC(=O)Cn2cccc(NC(=O)c3ccccc3)c2=O)cc1Cl
35338 OC1CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
35339 OC1CCCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
35340 OC1CCCCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
35341 Oc1cccc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc12
35342 O[C@@H]1CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2[C@@H]1O |r|
35343 O[C@H]1CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2[C@@H]1O |r|
35344 CC1(C)CCc2cc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)ccc2C1O
35345 OC1c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2CCC1(F)F
35346 OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
35347 COc1cc2C(O)C(F)(F)CCc2cc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
35348 COc1c(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc2C(O)C(F)(F)CCc12
35349 OC1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)cc2CCC1(F)F
35350 OC1c2ccc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F
35351 OC1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F
35352 O[C@H]1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F |r|
35353 O[C@@H]1c2cc(F)c(NC(=O)c3cc4cc(Cl)ccc4[nH]3)c(F)c2CCC1(F)F |r|
35354 CC1CCCCC1NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
35355 O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
35356 COc1ccc(c(OC)c1)-n1nnnc1SCC(=O)Nc1ccc2OCCOc2c1
35357 CCCCNC(=O)CSc1nnc(-c2ccco2)n1C
35358 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(C)cc1
35359 CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2n(C)c(=O)n(C)c(=O)c12
35361 [O-]n1[o+]nc(C(=O)c2cccs2)c1C(=O)c1cccs1
35362 Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
35363 CCCCOc1ccccc1P(O)(=O)CP(=O)(c1ccccc1)c1ccccc1
35364 COc1ccc(Cn2c(C)nc3n(Cc4ccco4)c4nc5ccccc5nc4c3c2=O)cc1
35365 CCOC(=O)CC(=O)CSc1nnc2sc3ccccc3n12
35366 COC(=O)CCCc1nc2ccccc2s1
35367 Cc1cc2NC(Nc3ccccc3)Sn2n1
35368 CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
35369 CCCn1nnc(NC(=O)c2cc(Br)cc(Br)c2OC)n1
35370 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(F)c(Cl)c1)C(C)=O |c:4|
35371 Nc1c(cc(Cl)c2nonc12)N1CCCC1
35372 Cc1cc(C)n2c(SCC(=O)N3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)nnc2n1
35373 CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(ccc12)S(N)(=O)=O
35374 O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C#N)c1nc2ccccc2[nH]1
35375 CN1Cc2cc(cnc2NC1=O)C(=O)c1cc(Cl)cc(CSc2ncccn2)c1O
35376 Cc1ccc(C)c(c1)-n1nnnc1SCC(=O)c1ccc2OCC(=O)Nc2c1
35377 Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1
35378 Cc1ccc(NC(=O)COC(=O)c2ccc3N4CCCC4C(=O)Nc3c2)cc1C
35379 CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
35380 [O-]\[N+](=C/c1ccncc1)c1ccccc1
35381 Cc1cccc(N2CCN(CC2)S(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(O)=O)c1C
35382 Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)NC1CCCC1
35383 Cc1cc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)nc2c3ccccc3oc(=O)c12
35384 CCCCCC1CCC(CC1)C(O)=O |(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;5.75,-1.63,;5.75,-.09,;7.08,.68,;7.08,2.22,;5.75,2.99,;4.41,2.22,;4.41,.68,;5.75,4.53,;7.08,5.3,;4.41,5.3,)|
35385 Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)c1C
35386 CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCN2CCOCC2)cc1
35387 Clc1ccc2c(c1)nc1c(cccn1c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
35388 [O-]\[N+](=C\c1ccc(F)cc1)c1ccccc1
35389 Oc1c(cnc2ccc(cc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC1CC1
35390 CC(C(=O)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
35391 CCOC(=O)N1CCC(CC1)NC(=O)c1cccn2c1nc1ccc(Br)cc1c2=O
35392 O=c1n(Cc2ccccc2)c(Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)c2[nH]cccc12
35393 CCOc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
35394 Cc1nc2c(c[nH]n2c(=O)c1Cl)C(=O)NCCC1=CCCCC1 |t:19|
35395 COc1ccc(cc1)-c1cc2nc(C3CCN(CC3)C(=O)OC(C)(C)C)c(cn2n1)C(O)=O
35396 O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1)N1CCCc2ccccc12
35397 CC1CCN(CC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NC3CCCC3)c(=O)c2c1
35398 CCOC(=O)c1ccc(Nc2n(Cc3ccc(F)cc3)c(=O)c3ccc[nH]c23)cc1
35399 [H]C12CC(C)(Oc3ccccc13)N(C(=O)N2)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(F)cc1 |TLB:16:12:2:5.11.6,THB:10:11:2:12.15.13|
35400 CCCSc1nnc(NC(=O)c2sc3nc(ccc3c2N)-c2cccs2)s1
35401 OC1C(Sc2ccccc2NC1=O)c1ccccc1
35402 FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
35403 COC(=O)c1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
35404 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cccc(C)n1
35405 CC1CCCCC1NC(=O)CCn1c2ccccc2oc1=O
35406 O=c1n(Cc2ccco2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
35407 OC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OC1CCCCC1 |c:13|
35408 CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCC1 |(11.08,4.26,;12.42,3.49,;12.42,1.95,;11.08,1.18,;11.08,-.36,;9.75,-1.13,;9.75,-2.67,;8.41,-.36,;7.08,-1.13,;7.08,-2.67,;5.75,-3.44,;4.41,-2.67,;3.08,-3.44,;4.41,-1.13,;5.75,-.36,;12.42,-1.13,;12.42,-2.67,;13.75,-.36,;15.13,-1.18,;16.52,-.39,;16.52,1.21,;15.13,2,;13.75,1.18,;17.85,-1.17,;18.63,.16,;17.08,-2.5,;19.18,-1.94,;19.18,-3.48,;20.51,-4.26,;21.84,-3.49,;21.85,-1.95,;20.52,-1.18,)|
35409 O=C(N1CCN(CC1)C1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O
35410 CCn1c2ccccc2c(SCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1=O
35411 COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c1
35412 Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)NCCC(=O)NCCC1=CCCCC1 |t:27|
35413 Clc1ccc(cc1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
35414 CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
35415 Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2)-c1cccc(F)c1
35416 COc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
35417 O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccco1
35418 Cc1cccc(NC(=O)c2cc(NC(=O)C3CCCCC3C(O)=O)ccc2N2CCCCC2)c1
35419 CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1ccco1
35420 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc2sc3CCCc3c2c(=O)n1C
35421 CC(NC(=O)c1ccc2OCOc2c1)C1CCCO1
35422 CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N
35423 COc1ccc(cc1)C(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C
35424 Cc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
35425 COC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)-c1ccc(cc1)C(O)=O |c:6,8|
35426 CCOc1cc(\C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccc(o1)C(O)=O
35427 CC(CNS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1
35428 C(Sc1ccccc1)c1nc(no1)-c1ccncc1
35429 Cc1nn2c(nnc2c2ccccc12)-c1cccc(NC(=O)c2ccco2)c1
35430 CCOc1ccc2nc(Nc3nc4CCCc4c(=O)[nH]3)nc(C)c2c1
35431 COc1ccc2noc3-c4ccccc4C(=O)c1c23
35432 Clc1ccc(CNC2=CC(=O)CC2)cc1Cl |t:7|
35433 CCOc1ccc2noc3-c4ccccc4C(=O)c1c23
35434 [O-]\[N+](=C/c1ccncc1)c1ccc(Br)cc1
35435 Oc1ccc2OC(=O)CC(c3ccccc3)c2c1
35436 [O-]\[N+](=C/c1ccc(OC(F)F)cc1)c1ccccc1
35437 COC(=O)CCC(=O)Oc1ccc(OC(=O)CCC(=O)OC)cc1
35438 CCSCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1coc2ccccc2c1=O |c:8,t:11|
35439 O=C(N1CCN(Cc2ccccn2)CC1)c1ccc(cc1)-c1ccccc1
35440 O=c1[nH]cnc2n[nH]cc12
35441 Cn1c(N)c(C(=O)CCl)c(=O)n(C)c1=O
35442 Cn1c(N)c(C(=O)COC(=O)c2ccnc3ccccc23)c(=O)n(C)c1=O
35443 CC(C)Cn1c(N)c(C(=O)CCl)c(=O)n(C)c1=O
35444 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(=O)n(C)c1=O
35445 CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(=O)n(C)c1=O
35446 Oc1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
35447 NC(=O)NCc1ccccc1
35448 FC(F)(F)c1cc(Br)c2cccc(c2n1)C(F)(F)F
35449 Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1
35450 CN(C)C=Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1 |w:4.4|
35451 OC(=O)c1cc(nc2ccccc12)C(F)(F)F
35452 OC(=O)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
35453 OC(=O)c1cc(nc2ccccc12)-c1ccco1
35454 OC(=O)c1cc(nc2ccccc12)C1CC1
35455 NC(=O)NCC1CC1
35456 CN(C)C=Nc1cc(=O)[nH]c(=O)n1C |w:4.4|
35457 CN(C)\C=N\c1cc(=O)n(C)c(=O)n1Cc1ccccc1
35458 O=C(CC#N)NC(=O)NCC1CC1
35459 CN(C)\C=N\c1cc(=O)n(Cc2ccccc2)c(=O)n1C
35460 Nc1cc(=O)[nH]c(=O)n1CC1CC1
35461 Cn1c(=O)cc(N)n(Cc2ccccc2)c1=O
35462 Cn1c(N)cc(=O)n(Cc2ccccc2)c1=O
35463 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(C)c1=O
35464 CN(C)C=Nc1cc(=O)[nH]c(=O)n1CC1CC1 |w:4.4|
35465 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C2CC2)c(=O)n(C)c1=O
35466 CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C2CC2)c(=O)n(C)c1=O
35467 CN(C)\C=N\c1cc(=O)n(C)c(=O)n1CC1CC1
35468 Cn1c(=O)c(C(=O)CCl)c(N)n(Cc2ccccc2)c1=O
35469 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C(F)(F)F)c(=O)n(C)c1=O
35470 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c(=O)n(C)c1=O
35471 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(N)n(Cc2ccccc2)c1=O
35472 Cn1c(N)c(C(=O)CCl)c(=O)n(Cc2ccccc2)c1=O
35473 CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c(=O)n(C)c1=O
35474 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)C(F)(F)F)c(N)n(Cc2ccccc2)c1=O
35475 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c(N)n(Cc2ccccc2)c1=O
35476 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)C2CC2)c(N)n(Cc2ccccc2)c1=O
35477 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C(F)(F)F)c(=O)n(Cc2ccccc2)c1=O
35478 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c(=O)n(Cc2ccccc2)c1=O
35479 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(=O)n(Cc2ccccc2)c1=O
35480 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C2CC2)c(=O)n(Cc2ccccc2)c1=O
35481 Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(=O)n(Cc2ccccc2)c1=O
35482 CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(nc3ccccc23)C(F)(F)F)c(=O)n(C)c1=O
35483 Cn1c(=O)c(C(=O)CCl)c(N)n(CC2CC2)c1=O
35484 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(N)n(CC2CC2)c1=O
35485 Cn1c(=O)c(C(=O)COC(=O)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F)c(N)n(CC2CC2)c1=O
35486 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccc(C)cc2)cc1N
35487 O=C(NCc1cccs1)C(OC(=O)c1cccs1)c1ccccn1
35488 Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1
35489 CC(=O)NC(=O)NC1OC(=O)C(Cl)=C1Cl |c:12|
35490 Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1
35491 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2)cc1N
35493 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
35494 COc1ccc(cc1)C(=O)c1n[o+]n([O-])c1C(=O)c1ccc(OC)cc1
35495 Nc1nonc1-c1noc(n1)N1CCCCC1
35496 Cc1nonc1-c1nnc([nH]1)-c1nonc1N
35497 O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)Nc1ccccc1
35498 O=C1CC(Cc2nc(ncc12)N1CCc2ccccc2C1)c1ccco1
35499 O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1
35500 CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccc(Cl)cc1 |c:1|
35501 O=S(=O)(N1CCOCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
35502 Cn1c2cn(c(-c3ccccc3)c2c(=O)n(C)c1=O)-n1cnnc1
35503 CCOc1nc(nc(n1)N1CCCCC1)C#N
35504 COc1ccc(cc1)N(CC(=O)NCC1CCCO1)S(=O)(=O)c1c(C)noc1C
35505 CCOC(=O)c1s\c(=N\C(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)n(C)c1C
35506 CCOc1ccc(CCNC(=O)Cn2c(nc3ccccc23)-c2nonc2N)cc1OCC
35507 COc1cccc(Cn2c(nc3ccccc23)-c2nonc2N)c1
35508 CCN(C(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(Cl)c1
35509 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
35510 CCCCOc1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
35511 COc1cc(Cn2c(nc3ccccc23)-c2nonc2N)ccc1C
35512 CC(=O)OC1(Oc2ccccc2NC1=O)C(F)(F)F
35513 O=C(CNC(=O)c1ccco1)OCN1C(=O)c2ccccc2C1=O
35514 COc1nc(nc(n1)N1CCCC1)N(CC(N)=O)C#N
35515 COC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
35516 Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
35517 Nc1nonc1-c1nc2ccccc2[nH]1
35518 Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCN(CC1)c1ccc(F)cc1
35519 COc1ccc(C)c(Cn2c(nc3ccccc23)-c2nonc2N)c1
35520 N#Cc1nc(nc(n1)N1CCOCC1)N1CCCCC1
35521 COc1ccc(cc1)C(=O)C(OC(=O)CNC(=O)c1ccco1)c1ccccc1
35522 Nc1nc2N=C3CCCCC3C3(CCCCC3)n2n1 |t:4|
35523 COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
35524 Nc1nonc1-c1nc2ccccc2n1CCOC=C
35525 Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
35526 Cc1ccc2oc(=O)c(Cc3c(O)c4cc(C)ccc4oc3=O)c(O)c2c1
35527 COc1cccc2oc(=O)c(Cc3c(O)c4c(OC)cccc4oc3=O)c(O)c12
35528 COc1ccc2oc(=O)c(Cc3c(O)c4cc(OC)ccc4oc3=O)c(O)c2c1
35529 COc1ccc2c(O)c(Cc3c(O)c4ccc(OC)cc4oc3=O)c(=O)oc2c1
35530 Oc1c(Cc2c(O)c3cc(F)ccc3oc2=O)c(=O)oc2ccc(F)cc12
35531 Oc1c(Cc2c(O)c3ccc(F)cc3oc2=O)c(=O)oc2cc(F)ccc12
35532 Oc1c(Cc2c(O)c3cc(Cl)ccc3oc2=O)c(=O)oc2ccc(Cl)cc12
35533 Oc1c(Cc2c(O)c3cc(Br)cc(Br)c3oc2=O)c(=O)oc2c(Br)cc(Br)cc12
35534 Cc1cc2oc(=O)c(Cc3c(O)c4cc(C)c(C)cc4oc3=O)c(O)c2cc1C
35535 COc1cc2oc(=O)c(Cc3c(O)c4cc(OC)c(OC)cc4oc3=O)c(O)c2cc1OC
35536 Oc1c(Cc2c(O)c3ccc4ccccc4c3oc2=O)c(=O)oc2c1ccc1ccccc21
35537 Cc1ccc2c(O)c(Cc3c(O)c4ccc(C)c(C)c4oc3=O)c(=O)oc2c1C
35538 CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
35539 CCCC(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
35540 Cc1cc2oc(=O)c(Cc3cccc4ccccc34)c(O)c2cc1C
35541 Cc1cc2oc(=O)c(Cc3ccc4ccccc4c3)c(O)c2cc1C
35542 Cc1cc2oc(=O)c(Cc3ccccc3)c(O)c2cc1C
35543 Oc1c(Cc2cccc3ccccc23)c(=O)oc2c1ccc1ccccc21
35544 Oc1c(Cc2ccc3ccccc3c2)c(=O)oc2c1ccc1ccccc21
35545 Oc1c(Cc2ccccc2)c(=O)oc2c1ccc1ccccc21
35546 Oc1c(Cc2cccc3ccccc23)c(=O)oc2ccc3ccccc3c12
35547 Oc1c(Cc2ccc3ccccc3c2)c(=O)oc2ccc3ccccc3c12
35548 Oc1c(Cc2ccccc2)c(=O)oc2ccc3ccccc3c12
35549 Oc1c(Cc2cccc3ccccc23)c(=O)oc2ccccc12
35550 Oc1c(Cc2ccc3ccccc3c2)c(=O)oc2ccccc12
35551 Cc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1C
35552 Cc1ccc(Cc2c(O)c3cc(C)c(C)cc3oc2=O)cc1C
35553 OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35554 CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1 |r,wU:9.9,wD:6.5,(-.82,9.12,;-1.74,7.89,;-3.27,8.07,;-1.13,6.48,;.41,6.48,;1.18,5.14,;1.18,7.81,;2.71,7.87,;3.43,9.24,;2.6,10.54,;3.37,11.87,;1.06,10.47,;.35,9.11,;-2.06,5.24,;-3.6,5.26,;-4.09,3.8,;-2.86,2.88,;-1.6,3.77,;-.14,3.28,;1.02,4.29,;.16,1.77,;-5.43,3.03,;-6.76,3.8,;-8.09,3.03,;-8.09,1.49,;-6.76,.72,;-5.43,1.49,)|
35555 OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
35556 Brc1cccc(c1)N1C(=O)c2cccc3cccc(C1=O)c23
35557 Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35558 CCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35559 CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35560 COCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35561 OCCNc1ccc2C(=O)N(Cc3cccc1c23)c1cccc(Br)c1
35562 OCCNc1ccc2CN(Cc3cccc1c23)c1cccc(Br)c1
35563 OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Cl)c1
35564 OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(F)c1
35565 NS(=O)(=O)c1cccc(c1)N1C(=O)c2cccc3c(NCCO)ccc(C1=O)c23
35566 CC(C)CNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35567 Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCCCC4)ccc(C1=O)c23
35568 CNCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1
35569 Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCNCC4)ccc(C1=O)c23
35570 Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCN(Cc5ccccc5)CC4)ccc(C1=O)c23
35571 OC(=O)[C@@H]1CC[C@@H](CC1)Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1 |r,wU:6.9,3.2,(-10.33,5.5,;-8.99,6.27,;-8.99,7.81,;-7.66,5.5,;-7.66,3.95,;-6.33,3.18,;-4.99,3.95,;-4.99,5.5,;-6.33,6.27,;-3.66,3.18,;-2.33,3.95,;-2.33,5.5,;-.99,6.27,;.34,5.5,;1.68,6.27,;1.68,7.81,;3.01,5.5,;3.01,3.95,;4.34,3.18,;1.68,3.18,;1.68,1.64,;.34,.87,;-.99,1.64,;-.99,3.18,;.34,3.95,;4.34,6.27,;4.34,7.81,;5.68,8.58,;7.01,7.81,;7.01,6.27,;8.34,5.5,;5.68,5.49,)|
35572 Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
35573 CC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
35574 CC(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35575 COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
35576 CCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35577 OCCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
35578 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
35579 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
35580 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35581 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(C)CC3)c2n1
35582 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(C)=O)c2n1
35583 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)NC)c2n1
35584 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)N(C)C)c2n1
35585 CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
35586 O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3cccnc3)c2n1
35587 COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
35588 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)OCCO)cc1)N1CCOCC1
35589 CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
35590 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
35591 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
35592 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
35593 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
35594 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
35595 COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
35596 Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
35597 CC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
35598 Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3ccccc3)c2n1
35599 Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3cccnc3)c2n1
35600 Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35601 Oc1ccccc1-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35602 Oc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35603 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccnc1)N1CCOCC1)c1ccccc1
35604 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccncc1)N1CCOCC1)c1ccccc1
35605 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cnc2ccccc2c1)N1CCOCC1)c1ccccc1
35606 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2ncccc2c1)N1CCOCC1)c1ccccc1
35607 O=c1[nH]c2ccc(cc2[nH]1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35608 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cc2ccccc2[nH]1)N1CCOCC1)c1ccccc1
35609 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccc2[nH]ccc12)N1CCOCC1)c1ccccc1
35610 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1ccccc1
35611 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2cc[nH]c2c1)N1CCOCC1)c1ccccc1
35612 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccc2cc[nH]c12)N1CCOCC1)c1ccccc1
35613 Cn1ccc2cc(ccc12)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
35614 C1CC(CCN1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1
35615 C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1
35616 O=C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1
35617 OCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35618 OCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35619 OCCCc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35620 OCCc1ccccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1
35621 OCCc1cccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c1
35622 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35623 OCC(CO)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35624 COCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35625 CC(C)(O)C(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1
35626 Cc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(O)CO
35627 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(F)c1
35628 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(Cl)c1
35629 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(c1)C(F)(F)F
35630 COc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1C(O)CO
35631 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1-c1ccccc1
35632 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1F
35633 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1C(F)(F)F
35634 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1[N+]([O-])=O
35635 Nc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)ccc1C(O)CO
35636 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)nc1
35637 OCC(O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1
35638 OCC(O)c1cnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1
35639 OCC(O)c1csc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)n1
35640 OCC(O)c1cnc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)s1
35641 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35642 Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35643 Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35644 CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35645 Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35646 Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35647 Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
35648 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1 |r|
35649 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(F)c1 |r|
35650 Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35651 Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C |r|
35652 COCc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc(c1)C1(C)CCSC(N)=N1 |c:31|
35653 Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35654 Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C |r|
35655 Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35656 Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35657 Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35658 Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35659 CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35660 Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35661 Cc1cnc(Nc2cccc3CCCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35662 Cc1cnc(Nc2cccc3OCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35663 Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35664 Cc1cnc(Nc2cccc3OCCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
35665 COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1OC |r|
35666 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1
35667 [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O
35668 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F
35669 C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
35670 C[C@@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
35671 C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(Cl)c1 |r|
35672 C[C@H]1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCCO)c3ccccc23)c(c1)C(F)(F)F |r|
35673 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35674 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnc3)c3ccccc23)c(Cl)c1
35675 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncc3)c3ccccc23)c(Cl)c1
35676 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccc3)c3ccccc23)c(Cl)c1
35677 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(C)n3)c3ccccc23)c(Cl)c1
35678 COc1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
35679 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(N)n3)c3ccccc23)c(Cl)c1
35680 CN(C)c1cccc(CNC(=O)\C=C2\c3ccccc3N(CCC2(F)F)C(=O)c2ccc(cc2Cl)-n2ccc(C)n2)n1
35681 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccc(n3)C#N)c3ccccc23)c(Cl)c1
35682 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cnccn3)c3ccccc23)c(Cl)c1
35683 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3cccnn3)c3ccccc23)c(Cl)c1
35684 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccncn3)c3ccccc23)c(Cl)c1
35685 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nccs3)c3ccccc23)c(Cl)c1
35686 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4s3)c3ccccc23)c(Cl)c1
35687 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3nc4ccccc4[nH]3)c3ccccc23)c(Cl)c1
35688 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccco3)c3ccccc23)c(Cl)c1
35689 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(O)=O)c3ccccc23)c(Cl)c1
35690 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(N)=O)c3ccccc23)c(Cl)c1
35691 CCCNC(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
35692 CN(C)CCNC(=O)\C=C1\c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1Cl)-n1ccc(C)n1
35693 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCC(O)=O)c3ccccc23)c(Cl)c1
35694 Cc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCC(N)=O)c3ccccc23)c(Cl)c1
35695 FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cccn2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35696 CCc1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35697 CC(C)c1ccn(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35698 FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2ccc(n2)-c2ccccc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35699 Cc1cc(C)n(n1)-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35700 Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35701 FC1(F)CCN(C(=O)c2ccc(cc2Cl)-n2cc3ccccc3n2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35702 FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35703 CC1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35704 CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35705 FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35706 FC1(F)CCN(C(=O)c2ccc(cc2Cl)N2CCCCCC2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35707 CN(C)C1CCN(C1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35708 CN1CCN(CC1)c1ccc(C(=O)N2CCC(F)(F)\C(=C/C(=O)NCc3ccccn3)c3ccccc23)c(Cl)c1
35709 FC1(F)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2\C1=C\C(=O)NCc1ccccn1
35710 CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cccc(Cl)c12
35711 CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
35712 CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2cc(Cl)ccc12
35713 CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2c(Cl)cccc12
35714 CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc12
35715 CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
35716 Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(NCC=C)c2cc(Cl)ccc12
35717 CN(CC=C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
35718 Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(O)c2cc(Cl)ccc12
35719 COC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccc(Cl)cc12
35720 Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC(OCC=C)c2cc(Cl)ccc12
35721 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(Cl)c1
35722 Cc1ccccc1C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCC(O)c2cc(Cl)ccc12
35723 Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc23)c(C)c1
35724 COc1cc(NC(=O)c2ccccc2C)ccc1C(=O)N1CCCC(O)c2cc(Cl)ccc12
35725 COc1cc(ccc1NC(=O)c1ccccc1C)C(=O)N1CCCC(O)c2cc(Cl)ccc12
35726 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
35727 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(F)c1
35728 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Cl)c1
35729 NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)c(Br)c1
35730 NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1
35731 NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1
35732 NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1
35733 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
35734 NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
35735 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1
35736 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(F)c1
35737 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1
35738 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Br)c1
35739 NS(=O)(=O)c1ccc(NC(=O)Cc2ccccn2)cc1
35740 NS(=O)(=O)c1ccc(NC(=O)Cc2ccncc2)cc1
35741 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1
35742 NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
35743 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35744 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cn3ccc(Cl)cc3n2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35745 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3o2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35746 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3o2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35747 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3cc(Cl)ccc3s2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35748 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3ccc(Cl)cc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35749 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ncc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35750 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3nc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35751 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3c(F)c(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35752 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)cc(F)c3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35753 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2F)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35754 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2Br)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35755 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(F)cc3c2Cl)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35756 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C=O)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35757 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2C(=O)N(C)C)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35758 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35759 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Br)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35760 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35761 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3n2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35762 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35763 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(Cl)ccc3c2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35764 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ncc3cc(Cl)ccc3n2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35765 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3nn2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35766 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=Cc3ccc(Cl)cc3OC2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r,t:12|
35767 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc(O)c3cc(Cl)ccc3n2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35768 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35769 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3ccc(Cl)cc3c(=O)[nH]2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r|
35770 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C2=Nc3ccc(Cl)cc3S(=O)(=O)N2)[C@@H](C1)NC(=O)c1nc2CCN(C)Cc2s1 |r,t:12|
35771 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2ccc3cc(Cl)ccc3c2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1 |r|
35772 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1 |r|
35773 CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1 |r|
35774 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccc1Cl
35775 Cc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
35776 Cc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)c1
35777 COc1ccccc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
35778 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccccn1
35779 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1cccnc1
35780 Nc1nc(nc(n1)-c1ccco1)C(=O)NCc1ccncc1
35781 Cc1cccnc1CNC(=O)c1nc(N)nc(n1)-c1ccco1
35782 COCc1cccc(CNC(=O)c2nc(N)nc(n2)-c2ccco2)n1
35783 Cc1cccnc1CNC(=O)c1cc(N)nc(c1)-c1ccco1
35784 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccco1
35785 Nc1nc(cc(n1)-c1ccco1)C(=O)NCc1ccccn1
35786 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35787 Cc1csc(n1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35788 Nc1nc(cc(n1)-c1ccccc1)C(=O)NCc1ccccn1
35789 Nc1nc(cc(n1)-c1ccccc1F)C(=O)NCc1ccccn1
35790 Nc1nc(cc(n1)-c1cccc(F)c1)C(=O)NCc1ccccn1
35791 Nc1nc(cc(n1)-c1ccccc1Cl)C(=O)NCc1ccccn1
35792 Nc1nc(cc(n1)-c1cccc(Cl)c1)C(=O)NCc1ccccn1
35793 Cc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35794 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35795 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35796 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35797 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35798 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35799 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35800 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ccccn1
35801 Nc1nc(cc(n1)-c1ccccc1C#N)C(=O)NCc1ccccn1
35802 Nc1nc(cc(n1)-c1cccc(c1)C#N)C(=O)NCc1ccccn1
35803 COc1cc(nc(N)n1)C(=O)NCc1ccccn1
35804 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NCCc3ccc(CCC(O)=O)cc3)nc12
35805 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1F
35806 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(F)c1
35807 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1Cl
35808 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(Cl)c1
35809 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C
35810 Cc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35811 Cc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35812 COc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35813 COc1cccc(c1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35814 COc1ccc(cc1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35815 CCc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35816 CCOc1ccccc1-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35817 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1C#N
35818 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1cccc(c1)C#N
35819 COc1cc(nc(N)n1)C(=O)NCc1ncccc1C
35820 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ccccn2)c1C
35821 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ccccn1
35822 Cc1ccc(o1)-c1nc(N)nc(C(=O)NCc2ncccc2C)c1C
35823 CCc1c(nc(N)nc1-c1ccc(C)o1)C(=O)NCc1ncccc1C
35824 Cc1ccc(o1)-c1cc(ncn1)C(=O)NCc1ccccn1
35825 Cc1ccc(o1)-c1cc(nc(C)n1)C(=O)NCc1ccccn1
35826 CC(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
35827 CNc1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
35828 CN(C)c1nc(cc(n1)-c1ccc(C)o1)C(=O)NCc1ccccn1
35829 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccc(C)n1
35830 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1nc(C)ccc1C
35831 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)cc(C)n1
35832 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)c(C)n1
35833 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cccn1C
35834 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc[nH]1
35835 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ccc(C)n1C
35836 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncc[nH]1
35837 CCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
35838 CCCn1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
35839 CC(C)n1ccnc1CNC(=O)c1cc(nc(N)n1)-c1ccc(C)o1
35840 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1cc(C)on1
35841 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1csc(C)n1
35843 Cc1ccc(o1)-c1cc(nc(N)n1)C(=O)NCc1ncccc1C
35844 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1nccs1
35845 Cc1cccnc1CNC(=O)c1cc(nc(N)n1)-c1ccccc1
35846 Cc1c(C)c2OC(C)(CCOc3cc(Cn4ccnc4)ccc3\C=C\C(O)=O)CCc2c(C)c1O
35847 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
35848 Cc1c(C)c2OC(C)(CCOc3ccccc3\C=C\C(O)=O)CCc2c(C)c1O
35849 Cc1ccc(\C=C\C(O)=O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1
35850 COc1ccc(\C=C\C(O)=O)c(OCCC2(C)CCc3c(C)c(O)c(C)c(C)c3O2)c1
35851 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCCOc1ccccc1
35852 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCCCOc1ccccc1
35853 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCc1cc2ccccc2o1
35854 OC(=O)\C=C\c1ccc(Cn2ccnc2)cc1OCCc1ccc2ccccc2c1
35855 OC(=O)\C=C\c1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
35856 OC(=O)\C=C\c1ccc(CN2CCCC2=O)cc1OCCc1ccc2ccccc2c1
35857 OC(=O)\C=C\c1ccc(Cc2ccccc2)cc1OCCc1ccc2ccccc2c1
35858 OC(=O)\C=C\c1ccc(Cc2cccs2)cc1OCCc1ccc2ccccc2c1
35859 OC(=O)\C=C\c1ccc(COc2ccccc2)cc1OCCc1ccc2ccccc2c1
35860 OC(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc1ccc2ccccc2c1
35861 OC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
35862 OC(=O)C#Cc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
35863 OC(=O)COc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
35864 OC(=O)CCCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
35865 OC(=O)COCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1
35866 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=S)[C@@H](O)[C@H]1O
35867 Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
35868 Clc1ccc(cc1)-c1nc(cnc1-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
35869 O=C(NN1CCCCC1)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
35870 Brc1ccc(cc1)-c1ncc(nc1-c1ccc(Br)cc1)C(=O)NN1CCCCC1
35871 Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NN1CCCCC1
35872 COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NN1CCCCC1
35873 Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
35874 Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)NN1CCCCC1
35875 Brc1ccc(cc1)-c1ncc(nc1-c1ccc(Br)cc1)C(=O)NC1CCCCC1
35876 Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NC1CCCCC1
35877 COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)NC1CCCCC1
35878 Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)NC1CCCCC1
35879 Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)NC1CCCCC1
35880 O=C(Nc1ccccc1)c1cnc(-c2ccccc2)c(n1)-c1ccccc1
35881 Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)Nc1ccccc1
35882 COc1ccc(cc1)-c1ncc(nc1-c1ccc(OC)cc1)C(=O)Nc1ccccc1
35883 Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1
35884 Clc1ccccc1-c1ncc(nc1-c1ccccc1Cl)C(=O)Nc1ccccc1
35885 OC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)C(F)(F)F
35886 OC(=O)c1cccc2Sc3ccc(cc3Nc12)C(F)(F)F
35887 OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
35888 OC(=O)c1ccccc1Nc1ccc(Sc2ccccc2)cc1
35889 OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
35890 CCCCCCOc1ccc(Nc2ccccc2C(O)=O)cc1
35891 CCCCCCc1ccc(Nc2ccccc2C(O)=O)cc1
35892 Cc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2)cc1
35893 OC(=O)c1ccccc1Nc1ccc(Cc2ccccc2)cc1
35894 OC(=O)c1ccccc1Nc1ccc(Oc2ccc(F)cc2)cc1
35895 CCCCCOC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
35896 OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1
35897 OC(=O)c1ccccc1Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
35898 OC(=O)c1ccccc1Nc1ccccc1[N+]([O-])=O
35899 OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)c(c1)C(F)(F)F
35900 OC(=O)c1ccccc1Nc1ccc(Oc2cccnc2)cc1
35901 OC(=O)c1ccccc1Nc1ccc(cc1)[N+]([O-])=O
35902 OC(=O)c1ccccc1Nc1ccc(SC(F)(F)F)cc1
35903 OC(=O)c1ccccc1Nc1ccccc1Sc1ccccc1
35904 OC(=O)c1ccccc1Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1
35905 Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
35906 COc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2C(F)(F)F)cc1
35907 OC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
35908 OC(=O)c1ccccc1Nc1ccccc1OCc1ccccc1
35909 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
35910 OC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1
35911 OC(=O)c1ccccc1Nc1ccc(cc1)C(F)(F)F
35912 OC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
35913 OC(=O)c1ccccc1Nc1ccccc1Oc1ccccc1
35914 OC(=O)c1ccccc1Nc1cccc(Cc2ccccc2)c1
35916 CC(C)(C)c1ccc(Nc2ccccc2C(O)=O)cc1
35917 OC(=O)c1ccccc1Nc1ccc2ccccc2c1
35918 COc1ccccc1Oc1ccc(Nc2ccccc2C(O)=O)cc1C(F)(F)F
35919 OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1
35920 NCC1c2ccccc2Cc2ccccc12
35921 CNCC1c2ccccc2Cc2ccccc12
35922 CN(C)CC1c2ccccc2Cc2ccccc12
35923 NCCC1c2ccccc2Cc2ccccc12
35924 CNCCC1c2ccccc2Cc2ccccc12
35925 CN(C)CCC1c2ccccc2Cc2ccccc12
35926 NCCCC1c2ccccc2Cc2ccccc12
35927 CNCCCC1c2ccccc2Cc2ccccc12
35928 CN(C)CCCC1c2ccccc2Cc2ccccc12
35929 NCC(c1ccccc1)c1ccccc1
35930 CNCC(c1ccccc1)c1ccccc1
35931 CN(C)CC(c1ccccc1)c1ccccc1
35932 NCCC(c1ccccc1)c1ccccc1
35933 CNCCC(c1ccccc1)c1ccccc1
35934 CN(C)CCC(c1ccccc1)c1ccccc1
35935 NCCCC(c1ccccc1)c1ccccc1
35936 CNCCCC(c1ccccc1)c1ccccc1
35937 CN(C)CCCC(c1ccccc1)c1ccccc1
35938 CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
35939 COc1cc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC
35941 COc1cc(Nc2cc(Oc3ccc(C)nc3-c3ccccn3)ccn2)cc(OC)c1OC
35942 COc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC
35943 COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC
35944 COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC
35945 COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC
35946 COc1ccccc1Nc1cc(Oc2cc(C)c(C)nc2-c2ccccn2)ccn1
35947 Cc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(nc1C)-c1ccccn1
35948 COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1
35949 Cc1cc(Oc2ccnc(Nc3cccc(c3)N3CCOCC3)c2)c(nc1C)-c1ccccn1
35950 COc1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
35951 Cc1cc(Oc2ccnc(Nc3ccc(cc3)N3CCOCC3)c2)c(nc1C)-c1ccccn1
35952 Cc1cc(Oc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)c2)c(nc1C)-c1ccccn1
35953 CN(C)C(=O)c1ccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)cc1
35954 Cc1cc(Oc2ccnc(Nc3ccc(F)cc3)c2)c(nc1C)-c1ccccn1
35955 Cc1ccc(Oc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)c2)c(C)n1
35956 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)S(=O)(=O)c1ccc(OC)cc1OCCCCC=C |r|
35957 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)S(=O)(=O)c1ccc(OC)cc1OCCCC=C |r|
35958 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)S(=O)(=O)c1ccc(OC)cc1OCCC=C |r|
35959 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCCCC=C)S(=O)(=O)c1ccc(OC)cc1OCC=C |r|
35960 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)S(=O)(=O)c1ccc(OC)cc1OCCCCC=C |r|
35961 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)S(=O)(=O)c1ccc(OC)cc1OCCCC=C |r|
35962 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)S(=O)(=O)c1ccc(OC)cc1OCCC=C |r|
35963 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC=C)S(=O)(=O)c1ccc(OC)cc1OCC=C |r|
35964 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C/CCCCOc2cc(OC)ccc2S1(=O)=O |r,c:34|
35965 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35966 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCC\C=C/CCCCOc2cc(OC)ccc2S1(=O)=O |r,c:33|
35967 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35968 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C/CCOc2cc(OC)ccc2S1(=O)=O |r,c:34|
35969 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35970 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C/COc2cc(OC)ccc2S1(=O)=O |r,c:34|
35971 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCCOc2cc(OC)ccc2S1(=O)=O |r,c:31|
35972 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCCOc2cc(OC)ccc2S1(=O)=O |r,c:31|
35973 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35974 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/CCOc2cc(OC)ccc2S1(=O)=O |r,c:31|
35975 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35976 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C\C=C/COc2cc(OC)ccc2S1(=O)=O |r,c:31|
35977 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCOc2cc(OC)ccc2S1(=O)=O |r|
35978 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C\CCCCOc2cc(OC)ccc2S1(=O)=O |r,t:34|
35980 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C\CCCOc2cc(OC)ccc2S1(=O)=O |r,t:34|
35981 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C/CCCOc2cc(OC)ccc2S1(=O)=O |r,c:34|
35982 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC\C=C\CCOc2cc(OC)ccc2S1(=O)=O |r,t:34|
35984 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35985 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)(C)CC=C)S(=O)(=O)c1ccc(OC)cc1OCCCCC=C |r|
35986 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)(C)CC\C=C/CCCOc2cc(OC)ccc2S1(=O)=O |r,c:36|
35987 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)(C)CC\C=C\CCCOc2cc(OC)ccc2S1(=O)=O |r,t:36|
35988 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC(C)(C)CCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35989 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)CC=C)S(=O)(=O)c1ccc(OC)cc1OCCCCC=C |r|
35990 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@]([H])(C)CC\C=C/CCCOc2cc(OC)ccc2S1(=O)=O |r,c:36|
35991 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@]([H])(C)CC\C=C\CCCOc2cc(OC)ccc2S1(=O)=O |r,t:36|
35992 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@]([H])(C)CCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35993 [H][C@](C)(CC=C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@]1([H])CO[C@@]2([H])OCC[C@@]12[H])S(=O)(=O)c1ccc(OC)cc1OCCCCC=C |r|
35994 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]([H])(C)CC\C=C/CCCOc2cc(OC)ccc2S1(=O)=O |r,c:36|
35995 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]([H])(C)CC\C=C\CCCOc2cc(OC)ccc2S1(=O)=O |r,t:36|
35996 [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@@]([H])(C)CCCCCCCOc2cc(OC)ccc2S1(=O)=O |r|
35997 O=C1NNS(=O)(=O)c2ccccc12
35999 Cc1ccccc1S(N)(=O)=O
36000 NS(=O)(=O)c1cc(Cl)cc(Cl)c1
36001 Nc1ccc(cn1)S(N)(=O)=O
36002 NS(=O)(=O)c1ccc2OCCOc2c1
36003 Cn1cnc(c1)S(N)(=O)=O
36004 NS(=O)(=O)c1ccc(F)cc1F
36005 NS(=O)(=O)c1ccc2NCCc2c1
36006 CCCn1c2ccc(cc2[nH]c1=O)S(N)(=O)=O
36007 Cc1c(Cl)cc(F)cc1S(N)(=O)=O
36008 Nc1nc2ccc(cc2s1)S(N)(=O)=O
36009 OC[C@@H](O)COCc1ccccc1
36010 CCCCn1ccnc1
36011 C(C1CC[NH2+]CC1)c1ccccc1
36012 COc1ccc(OC)c(CC[NH3+])c1
36013 COc1ccc(CC[NH3+])cc1OC
36014 C[NH2+][C@@H](C)[C@H](O)c1ccccc1
36015 C[NH2+][C@H](C)[C@@H](O)c1ccccc1
36016 CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
36017 COc1ccccc1CC[NH3+]
36018 COc1cccc(CC[NH3+])c1
36019 COc1ccc(CC[NH3+])cc1
36020 COc1ccc(CC[NH3+])cc1O
36021 [NH3+]CC(O)c1cccc(O)c1
36022 [NH3+]CC(O)c1ccc(O)cc1
36023 [NH3+]CCc1ccccc1
36024 C[NH2+]C[C@H](O)c1cccc(O)c1
36025 OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
36026 [O-]C(=O)CCc1ccccc1
36027 [NH3+]CCCc1ccccc1
36028 C[NH2+][C@H](C)[C@H](O)c1ccccc1
36029 C[NH2+][C@@H](C)[C@@H](O)c1ccccc1
36030 Cc1ccc(CC[NH3+])cc1
36031 C[NH2+]CCc1ccccc1
36032 Nc1ccc(CC[NH3+])cc1
36033 CC(=O)N[C@H](Cc1ccccc1)C([O-])=O
36034 CC(=O)N[C@@H](Cc1ccccc1)C([O-])=O
36035 CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C([O-])=O
36036 CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
36037 CC(=O)N[C@H](Cc1ccc(O)cc1)C([O-])=O
36038 CC(=O)N[C@@H](Cc1ccc(O)cc1)C([O-])=O
36039 [NH3+][C@H]([C@H](O)c1ccccc1)c1ccccc1
36040 [NH3+][C@@H]([C@@H](O)c1ccccc1)c1ccccc1
36041 C(OCc1ccccc1)[C@H]1CO1
36042 C(OCc1ccccc1)[C@@H]1CO1
36043 OC[C@H]1OC(O[C@@H]1CO)c1ccccc1
36044 OC[C@@H]1OC(O[C@H]1CO)c1ccccc1
36045 OC[C@@H](O)[C@@H](CO)OCc1ccccc1
36046 OC[C@H](O)[C@H](CO)OCc1ccccc1
36047 [NH3+][C@H](COCc1ccccc1)C([O-])=O
36048 [NH3+][C@@H](COCc1ccccc1)C([O-])=O
36049 C[C@@H](NC(=O)OC(C)(C)C)C([O-])=O
36050 C[C@H](NC(=O)OC(C)(C)C)C([O-])=O
36051 COC(=O)[C@@H](C)NC(=O)OC(C)(C)C
36052 COC(=O)[C@H](C)NC(=O)OC(C)(C)C
36053 CC(C)(C)OC(=O)N[C@H](CO)C([O-])=O
36054 CC(C)(C)OC(=O)N[C@@H](CO)C([O-])=O
36055 CC1(CS([O-])(=O)=O)C2CC[C@@]1(C)C(=O)[C@@H]2Br |TLB:2:1:8.9:12.14,15:14:1:8.9,THB:0:1:8.9:12.14,13:12:1:8.9|
36056 CC1(CS([O-])(=O)=O)C2CC[C@@]1(C)C(=O)[C@H]2Br |TLB:2:1:8.9:12.14,15:14:1:8.9,THB:0:1:8.9:12.14,13:12:1:8.9|
36057 C[C@H](CO)CBr
36058 C[C@@H](CO)CBr
36059 COC(=O)[C@@H](C)CBr
36060 COC(=O)[C@H](C)CBr
36061 CC1(C)[C@]2(C)CC[C@]1(OC2=O)C([O-])=O |TLB:10:9:1:5.6|
36062 CC1(C)[C@]2(C)CC[C@@]1(OC2=O)C([O-])=O |TLB:10:9:1:5.6|
36063 CC1(C)[C@H](CC[C@@]1(C)C([O-])=O)C([O-])=O
36064 CC1(C)[C@@H](CC[C@]1(C)C([O-])=O)C([O-])=O
36065 CC1(C)C2CC[C@@]1(C)C(=O)C2N=O |TLB:11:10:1:4.5,THB:9:8:1:4.5|
36066 CC1(C)C2CC[C@]1(C)C(=O)C2N=O |TLB:11:10:1:4.5,THB:9:8:1:4.5|
36067 CC1(C)C2CC[C@]1(CS([O-])(=O)=O)C(=O)C2 |THB:13:12:1:4.5|
36068 CC1(C)C2CC[C@@]1(CS([O-])(=O)=O)C(=O)C2 |THB:13:12:1:4.5|
36069 C[C@@H](NC(=O)OCc1ccccc1)C([O-])=O
36070 C[C@H](NC(=O)OCc1ccccc1)C([O-])=O
36071 O[C@@H]1CCCC[C@H]1O
36072 O[C@H]1CCCC[C@@H]1O
36073 C[C@@H]([NH3+])C1CCCCC1
36074 C[C@H]([NH3+])C1CCCCC1
36075 [O-]C(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C([O-])=O
36076 [O-]C(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C([O-])=O
36077 CC([NH+](C)C)C1=CC=C[CH]1 |c:7,t:5,^1:9|
36079 Cc1ccc(cc1)C(=O)O[C@@H]([C@H](OC(=O)c1ccc(C)cc1)C([O-])=O)C([O-])=O
36080 Cc1ccc(cc1)C(=O)O[C@H]([C@@H](OC(=O)c1ccc(C)cc1)C([O-])=O)C([O-])=O
36081 [NH3+]CC(=O)N[C@H](Cc1ccccc1)C([O-])=O
36082 [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C([O-])=O
36083 O[C@H](C1CCCCC1)C([O-])=O
36084 O[C@@H](C1CCCCC1)C([O-])=O
36085 CC1(C)C2CC1[C@@](C)(O)C(=O)C2 |TLB:7:6:4:1,10:9:4:1,8:6:4:1|
36086 CC1(C)C2CC1[C@](C)(O)C(=O)C2 |TLB:7:6:4:1,10:9:4:1,8:6:4:1|
36087 COC(=O)[C@H](O)c1ccccc1
36088 COC(=O)[C@@H](O)c1ccccc1
36089 CO[C@@H](C([O-])=O)c1ccccc1
36090 CO[C@H](C([O-])=O)c1ccccc1
36091 CO[C@@](C([O-])=O)(c1ccccc1)C(F)(F)F
36092 CO[C@](C([O-])=O)(c1ccccc1)C(F)(F)F
36093 N[C@H](Cc1ccccc1)C(N)=O
36094 COC(=O)[C@H]([NH3+])Cc1ccccc1
36095 COC(=O)[C@@H]([NH3+])Cc1ccccc1
36096 CC[C@@H](C([O-])=O)c1ccccc1
36097 CC[C@H](C([O-])=O)c1ccccc1
36098 C[C@H](CC([O-])=O)c1ccccc1
36099 C[C@@H](CC([O-])=O)c1ccccc1
36100 OC[C@H](O)c1ccccc1
36101 OC[C@@H](O)c1ccccc1
36102 O[C@H](Cc1ccccc1)C([O-])=O
36103 O[C@@H](Cc1ccccc1)C([O-])=O
36104 C[C@@H](C([O-])=O)c1ccccc1
36105 C[C@H](C([O-])=O)c1ccccc1
36106 CC1(C)[C@H]2C[C@@H]1[C@@](C)(O)[C@@H](O)C2 |TLB:7:6:4:1,10:9:4:1,8:6:4:1|
36107 CC1(C)C2CC1[C@](C)(O)[C@H](O)C2 |TLB:7:6:4:1,10:9:4:1,8:6:4:1|
36108 CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12
36109 CC(C)[NH2+]C[C@H](O)COc1cccc2ccccc12
36110 COC(COCc1ccccc1)OC
36111 OCCCBr
36112 [O-]C(=O)CNC(=O)OCc1ccccc1
36114 [O-]C(=O)CC1CCCCC1
36115 CC([NH3+])CCc1ccccc1
36116 [NH3+]CCCCc1ccccc1
36117 CC(CC([O-])=O)c1ccccc1
36118 CCOCCC[NH3+]
36119 OC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(O)=O
36120 OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(O)=O
36121 OC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36122 OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36123 [H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(C[N+](C)(C)C)O[C@]([H])(O[C@]6([H])[C@@]([H])(C[N+](C)(C)C)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
36124 C[N+](C)(C)C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](C[N+](C)(C)C)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36125 C[N+](C)(C)C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](C[N+](C)(C)C)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36126 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36127 [NH3+]C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36128 Oc1ccccc1CCC([O-])=O
36129 Oc1ccc(CCC([O-])=O)cc1
36130 F[P-](F)(F)(F)(F)F
36131 [O-][Cl](=O)(=O)=O
36133 Cc1cccc(CC([O-])=O)c1
36134 Cc1ccc(CC([O-])=O)cc1
36135 Cc1ccc(cc1)C([O-])=O
36136 C[N+](C)(C)C[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36137 OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O
36138 OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(O)=O
36139 CCCCC[NH3+]
36140 CCCCCC[NH3+]
36141 CCCCCCC[NH3+]
36142 CCCCCCCC[NH3+]
36145 C[C@H]1CC[C@@H](O)CC1 |r,wU:1.0,4.4,(1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,)|
36146 [O-]S(=O)(=O)c1ccc2ccccc2c1
36147 [O-]S(=O)(=O)c1ccc2ccc(cc2c1)S([O-])(=O)=O
36148 [O-]C(=O)Cc1cccc2ccccc12
36149 [O-]S(=O)(=O)c1ccc2cc(ccc2c1)S([O-])(=O)=O
36150 [O-]S(=O)(=O)c1ccc2cc(c(cc2c1)S([O-])(=O)=O)S([O-])(=O)=O
36151 Nc1ccc(c2ccccc12)S([O-])(=O)=O
36152 NC(=O)[C@@H]([NH3+])Cc1ccccc1
36153 CCCO
36154 CC(C)O
36155 CC[C@H](C)O
36156 CC[C@@H](C)O
36157 CCC(C)O
36158 CCC[C@H](C)O
36159 CCC[C@@H](C)O
36160 CCCC[C@@H](C)O
36161 N[C@H](Cc1ccccc1)C(O)=O
36162 CCCC[C@H](C)O
36163 CCCCC[C@H](C)O
36164 CCCCC[C@@H](C)O
36165 CC(CCC([O-])=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
36166 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CN[C@@H](Cc7c[nH]c8ccccc78)C(O)=O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36167 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CN[C@H](Cc7c[nH]c8ccccc78)C(O)=O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36168 CC(CCC([O-])=O)[C@H]1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
36169 CC(CCC(=O)NCC([O-])=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
36170 CC(CCC(=O)NCCS([O-])(=O)=O)[C@H]1CCC2C3[C@@H](O)CC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
36171 OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CNCC(O)=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O
36172 [H][C@@](CC)(CO)NC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36173 CCCCO
36174 CCCCCC([O-])=O
36176 OC1CCCC1
36178 OC1CCCCCC1
36181 [O-]C(=O)c1ccccc1
36182 CCCCC([O-])=O
36183 [O-]C(=O)Cc1ccccc1
36184 [O-]C(=O)CCCc1ccccc1
36185 COc1cccc(CC([O-])=O)c1
36186 COc1ccc(CC([O-])=O)cc1
36187 CCCCCC(C)[NH3+]
36188 OC1CCC1
36189 CC1(O)CCCCC1
36190 C[C@H]1CCCC[C@H]1O
36191 C[C@@H]1CCCC[C@H]1O
36192 CC1CCCC(O)C1
36193 C[C@H]1CC[C@H](O)CC1 |r,wU:1.0,wD:4.4,(1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;1.33,3.85,;2.67,1.54,;2.67,,)|
36194 OC1CCCCCCC1
36195 CCC\C=C\C([O-])=O
36196 CC\C=C\CC([O-])=O
36197 [O-]C(=O)CCCCC=C
36198 CCCC[NH3+]
36199 CCCC[NH2+]C
36200 CCCC(C)[NH3+]
36201 CCCCCC[NH2+]C
36202 CCCCCCC(C)[NH3+]
36204 OC(=O)CC1CC2CCC1C2 |TLB:3:4:7.8:10|
36205 OC(=O)C12CCC(CC1)CC2
36206 OC(=O)C12CCC(CC1)C2
36207 OC(=O)C12CCC(C1)C=C2 |c:9|
36208 OC(=O)C12CC3CC(C1)CCC(C3)C2 |TLB:6:5:7.8.9.10:13,6:7:4.5.12:13,THB:9:7:4:11.12.13,10:11:4:6.7.8|
36209 OC(=O)C12CC3CC(CC(C3)CC1)C2 |TLB:1:3:6:10.9.8,10:5:13:9.8.11.12,10:9:13:6.5.4,THB:11:9:6:3.13.4,12:3:6:10.9.8|
36210 OC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:11:6:13:10.9.12,11:10:13:7.6.5,THB:9:8:11.10.12:5,9:10:13.8.7:5|
36211 OC(=O)C12CC3CC1CC(C2)C3 |TLB:6:5:7.8:10,THB:6:7:10:4.5.11,8:7:4:9.10.11,8:9:4:6.7|
36212 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
36213 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36214 CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36215 CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
36216 CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O
36217 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
36218 CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
36219 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(O)=O
36220 CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
36221 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36222 CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36223 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
36224 OC(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1
36225 OC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1
36226 OC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1
36227 OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OCc1ccccc1
36228 OC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1
36229 OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OCc1ccccc1
36230 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OCc1ccccc1
36231 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1
36232 C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
36233 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
36234 C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36235 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
36236 C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
36237 C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
36238 CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
36239 CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
36240 OC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
36241 OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
36242 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1
36243 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
36244 OC(=O)c1cc(cc(c1)-c1c2ccc(n2)c(-c2ccccc2)c2ccc(n2)c(-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc([nH]2)c(-c2cc(cc(c2)C(O)=O)C(O)=O)c2ccc1[nH]2)C(O)=O
36245 COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@H]1[C@H](O)[C@H]2OC)[C@H](OC)[C@H]8O)[C@H](OC)[C@H]7O)[C@H](OC)[C@H]6O)[C@H](OC)[C@H]5O)[C@H](OC)[C@H]4O)[C@H](OC)[C@H]3O
36246 CO[C@H]1[C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O2)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC)[C@@H]1OC
36247 COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@H]1[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC
36248 COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@@H]9[C@@H](COC)O[C@H](O[C@H]1[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]9OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC
36249 OCC12CC3CC(CC(C3)C1)C2 |TLB:9:4:11:8.7.10,9:8:11:5.4.3,THB:7:6:9.8.10:3,7:8:11.6.5:3|
36250 N[C@@H]1[C@@H](O)[C@@H]2O[C@H](CO)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O2)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O
36251 CCCC[N+](C)(C)Cc1ccc[cH-]1
36252 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COc7ccc(cc7)C(O)=O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36253 CCCCCCCC[N+](C)(C)Cc1ccc[cH-]1
36254 Oc1ccc(cc1)N=Nc1ccc(C([O-])=O)c(Cl)c1 |w:7.7|
36255 Oc1ccc(cc1)N=Nc1cc(ccc1Cl)C([O-])=O |w:7.7|
36256 Oc1ccc(cc1)N=Nc1ccccc1C([O-])=O |w:7.7|
36257 Oc1ccc(cc1)N=Nc1cccc(c1)C([O-])=O |w:7.7|
36258 Oc1ccc(cc1)N=Nc1ccc(cc1)C([O-])=O |w:7.7|
36259 C[N+](C)(C)Cc1ccc[cH-]1
36260 CCCCCCC[N+](C)(C)Cc1ccc[cH-]1
36261 C[N+](C)(CCCCCCCC(O)=O)Cc1ccc[cH-]1
36262 C[N+](C)(CCCCCCCC([O-])=O)Cc1ccc[cH-]1
36263 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 |THB:9:8:5.4:1|
36264 CC1(C)[C@H]2CC[C@]1(C)C(=O)C2 |THB:9:8:5.4:1|
36265 CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2 |THB:9:8:1:4.5|
36266 CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2 |THB:9:8:5.4:1|
36267 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COc7ccccc7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36268 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](COc6ccc(C=O)cc6)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36269 OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3COc3ccc(cc3)[N+]([O-])=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]1[C@H](O)[C@H]2O
36270 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COc7ccc(Br)cc7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36271 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COc7ccc(Cl)cc7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36272 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COC(=O)c7ccc(O)cc7)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36273 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CSSC[C@H]6O[C@@H]7O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@@H]%10[C@@H](CO)O[C@H](O[C@@H]%11[C@@H](CO)O[C@H](O[C@@H]%12[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@H]7O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
36274 OCCCCCCCCCCCO
36275 OCCCCCCCCCCCCCO
36276 OCCCCCCCCCCCCCCO
36277 OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@H]5CSSC[C@H]6O[C@@H]7O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@@H]%10[C@@H](CSSC[C@H]%11O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]%11O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H](O5)[C@H](O)[C@H]4O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@H](O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]6[C@H](O)[C@H]7O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]3O
36278 OCCCCCCCCCO
36279 OCCCCCCCCCCO
36280 CCCCCCCCCCO
36281 O=C1N2CN3[C@@H]4[C@@H]5N(CN6[C@@H]7[C@@H]8N(CN9[C@@H]%10[C@@H]%11N(CN%12[C@@H]%13[C@@H]%14N(CN%15[C@@H]%16[C@@H]%17N(CN%18[C@@H]%19[C@@H]%20N(CN1[C@@H]1[C@H]2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN1C2=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
36282 OCc1ccc[cH-]1
36283 CN(C)Cc1ccc[cH-]1
36284 O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN%21C%22C%23N(CN1C1C2N2CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%22C(=O)N%23CN1C2=O)C%21=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O
36285 Oc1ccc2cc(O)ccc2c1
36286 Oc1ccc2ccc(O)cc2c1
36287 Oc1cccc2c(O)cccc12
36288 Oc1ccc2c(O)cccc2c1
36289 Oc1ccc2cccc(O)c2c1
36290 Oc1cc2ccccc2cc1O
36291 Oc1ccc2OCOc2c1
36292 COc1ccc2cc(O)ccc2c1
36293 c1ccc2nnnc2c1
36294 Oc1cccc(c1)C#N
36295 COc1ccc(O)cc1
36296 COc1cc2ccccc2cc1O
36297 COc1cccc(O)c1
36298 Oc1ccccc1C#N
36299 Oc1ccc(Cl)cc1
36300 Oc1ccc(I)cc1
36301 Oc1ccccc1Cl
36302 COc1ccc(OC)cc1
36304 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc2ccccc2c1
36305 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1ccc(cc1)-c1ccccc1
36306 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)Nc1cc2oc3ccccc3c2cc1OC
36307 [NH3+]C(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC([O-])=O
36308 [NH3+]CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC([O-])=O
36309 [NH3+]CC(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C([O-])=O
36311 Cn1c[n+](C)c2cc3n(C)c[n+](C)c3cc12
36312 [H][C@@]1(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=S)OC(n2cnc3c(N)ncnc23)[C@]1([H])O
36313 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccccc12
36314 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(N)ccc12
36315 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(F)ccc12
36316 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(CC)ccc12
36317 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(C=C)ccc12
36318 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C(O)=O
36319 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)[N+]([O-])=O
36320 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1CCCCC1
36321 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)C1=CCCCC1 |t:35|
36322 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2cc(ccc12)-c1ccccc1
36323 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2c(cccc12)[N+]([O-])=O
36324 [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc2ccc(cc12)[N+]([O-])=O
36325 COc1ccc(cc1)C(=O)ONC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
36326 COCc1cc(NC(=O)c2ccco2)cc(c1)C1(C)CCSC(N)=N1 |c:25|
36327 Cc1cccc(C)c1C(=O)OCC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
36328 [#6]-c1cccc(-[#6])c1-[#6](=O)-[#8]-[#6]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1
36329 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
36330 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(C)cccc1C
36331 [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#8]-[#6](=O)-c1c(-[#6])cccc1-[#6]
36332 CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(N)=O)NC(=O)[C@@H]1CCCN1C(C)=O |r|
36333 CC(=O)N1CCC[C@H]1C(=O)N[C@H](CCOC(=O)c1c(C)cccc1C)CC(O)=O |r|
36334 [H][C@](NC(=O)[C@@]1([H])O[C@]1([H])C(=O)OCC)(C(C)CC)C(=O)NCCc1ccc(O)cc1
36335 OC[C@H](NCc1cc(Cl)c(OC2CCc3c2cccc3-c2ccccc2)cc1OCc1cncc(c1)C#N)C(O)=O |r|
36336 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
36337 NC1CCC(CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(OCc4ccccc4)c3)c2n1 |(7.08,8.91,;7.08,7.37,;8.41,6.6,;8.41,5.06,;7.08,4.29,;5.75,5.06,;5.75,6.6,;7.08,2.75,;8.41,1.98,;8.41,.44,;9.75,-.33,;9.75,-1.87,;8.41,-2.64,;8.41,-4.18,;7.08,-4.95,;5.75,-4.18,;5.75,-2.64,;7.08,-1.87,;4.41,-4.95,;3.08,-4.18,;4.41,-6.49,;3.08,-7.26,;3.08,-8.8,;4.41,-9.57,;5.75,-8.8,;5.75,-7.26,;11.08,.44,;12.54,-.03,;13.44,1.21,;12.54,2.45,;13.02,3.91,;11.99,5.06,;12.47,6.52,;13.97,6.84,;15,5.69,;16.51,6.01,;16.99,7.47,;18.5,7.79,;18.97,9.25,;20.48,9.57,;21.51,8.43,;21.03,6.96,;19.52,6.64,;14.52,4.23,;11.08,1.98,;9.75,2.75,)|
36338 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3ccc4OCOc4c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.89,;-7.34,.12,;-7.34,-1.42,;-6,-2.19,;-4.67,-1.42,;-4.67,.12,;-6,.89,;-3.33,-2.19,;-2,-1.42,;-2,.12,;-.67,.89,;-.67,2.43,;.67,3.2,;2,2.43,;3.33,3.2,;3.33,4.74,;2,5.51,;.67,4.74,;4.67,5.51,;4.67,7.05,;6,4.74,;6,3.2,;7.34,2.43,;8.67,3.2,;8.67,4.74,;7.34,5.51,;.67,.12,;2.13,.59,;3.04,-.65,;2.13,-1.9,;2.9,-3.23,;2.13,-4.57,;2.9,-5.9,;4.44,-5.9,;5.47,-7.05,;6.88,-6.42,;6.72,-4.89,;5.21,-4.57,;4.44,-3.23,;.67,-1.42,;-.67,-2.19,)|
36339 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(c3)C(O)=O)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;4.44,-3.81,;6.75,-5.14,;7.84,-6.23,;7.52,-3.81,;.67,-2,;-.67,-2.77,)|
36340 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3ccc(cc3)C(O)=O)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.65,;-7.34,.88,;-7.34,-.66,;-6,-1.43,;-4.67,-.66,;-4.67,.88,;-6,1.65,;-3.33,-1.43,;-2,-.66,;-2,.88,;-.67,1.65,;-.67,3.19,;.67,3.96,;2,3.19,;3.33,3.96,;3.33,5.5,;2,6.27,;.67,5.5,;4.67,6.27,;4.67,7.81,;6,5.5,;6,3.96,;7.34,3.19,;8.67,3.96,;8.67,5.5,;7.34,6.27,;.67,.88,;2.13,1.35,;3.04,.11,;2.13,-1.14,;2.9,-2.47,;2.13,-3.81,;2.9,-5.14,;4.44,-5.14,;5.21,-3.81,;4.44,-2.47,;5.21,-6.47,;4.44,-7.81,;6.75,-6.47,;.67,-.66,;-.67,-1.43,)|
36341 CCOc1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:32.34,wD:35.38,(7.51,-5.81,;6.75,-7.14,;5.21,-7.14,;4.44,-5.81,;2.9,-5.81,;2.13,-4.47,;2.9,-3.14,;4.44,-3.14,;5.21,-4.47,;2.13,-1.81,;3.03,-.56,;2.13,.69,;.67,.21,;-.67,.98,;-.67,2.52,;.67,3.29,;2,2.52,;3.33,3.29,;3.33,4.83,;2,5.6,;.67,4.83,;4.67,5.6,;4.67,7.14,;6,4.83,;6,3.29,;7.33,2.52,;8.67,3.29,;8.67,4.83,;7.33,5.6,;-2,.21,;-2,-1.33,;-3.33,-2.1,;-4.67,-1.33,;-6,-2.1,;-7.34,-1.33,;-7.34,.21,;-8.67,.98,;-6,.98,;-4.67,.21,;-.67,-2.1,;.67,-1.33,)|
36342 CC(C)(C)c1ccc(cc1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:33.35,wD:36.39,(6.54,-5.71,;5.21,-6.47,;5.98,-7.8,;3.88,-7.24,;4.44,-5.14,;2.9,-5.14,;2.13,-3.81,;2.9,-2.47,;4.44,-2.47,;5.21,-3.81,;2.13,-1.14,;3.04,.11,;2.13,1.35,;.67,.88,;-.67,1.65,;-.66,3.18,;.67,3.96,;2,3.19,;3.33,3.96,;3.33,5.5,;2,6.27,;.67,5.5,;4.67,6.27,;4.67,7.8,;6.01,5.49,;6,3.96,;7.33,3.19,;8.67,3.96,;8.67,5.5,;7.33,6.27,;-2,.87,;-2,-.66,;-3.33,-1.44,;-4.67,-.66,;-6,-1.43,;-7.34,-.66,;-7.34,.88,;-8.67,1.64,;-6,1.65,;-4.67,.88,;-.66,-1.44,;.67,-.66,)|
36343 N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(CN3CCOCC3)cc2)c2ncn(-c3ccccc3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.08,;-7.34,.31,;-7.34,-1.23,;-6,-2,;-4.67,-1.23,;-4.67,.31,;-6,1.08,;-3.33,-2,;-2,-1.23,;-2,.31,;-.67,1.08,;-.67,2.62,;.67,3.39,;2,2.62,;3.33,3.39,;3.33,4.93,;4.67,5.7,;6,4.93,;6,3.39,;7.34,2.62,;8.67,3.39,;8.67,4.93,;7.34,5.7,;2,5.7,;.67,4.93,;.67,.31,;2.13,.79,;3.04,-.46,;2.13,-1.7,;2.9,-3.04,;2.13,-4.37,;2.9,-5.7,;4.44,-5.7,;5.21,-4.37,;4.44,-3.04,;.67,-1.23,;-.67,-2,)|
36344 CN1CCN(CC1)C(=O)c1cccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3n(cnc23)-c2ccccc2)c1 |r,wU:19.19,wD:22.23,(9.34,5.7,;8,4.93,;8,3.39,;6.67,2.62,;5.33,3.39,;5.33,4.93,;6.67,5.7,;4,2.62,;4,1.08,;2.67,3.39,;2.67,4.93,;1.33,5.7,;,4.93,;,3.39,;-1.33,2.62,;-1.33,1.08,;-2.67,.31,;-2.67,-1.23,;-4,-2,;-5.33,-1.23,;-6.67,-2,;-8,-1.23,;-8,.31,;-9.34,1.08,;-6.67,1.08,;-5.33,.31,;-1.33,-2,;,-1.23,;1.46,-1.7,;2.37,-.46,;1.46,.79,;,.31,;2.23,-3.04,;1.46,-4.37,;2.23,-5.7,;3.77,-5.7,;4.54,-4.37,;3.77,-3.04,;1.33,2.62,)|
36345 O=C(N1CCCCC1)c1ccc(Nc2nc(NCCCN3CCOCC3)nc3n(cnc23)-c2ccccc2)cc1
36346 O=C(N1CCCCC1)c1ccc(Nc2nc(Nc3cnc4ccccc4c3)nc3n(cnc23)-c2ccccc2)cc1
36347 O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
36348 Clc1cccc(c1)-n1cnc2c(Nc3ccc(cc3)C(=O)N3CCCCC3)nc(NCCc3cnc[nH]3)nc12
36349 [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4
36350 FC(F)(F)c1ccc(cc1)-c1ccc2NC(=O)CCc2c1
36351 [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |t:39|
36352 CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
36353 CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1
36354 CC(C)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
36355 C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
36356 CN(C)CCCOc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccnc2ccccc12
36357 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C |t:35|
36358 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C |t:36|
36359 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)N2CCN(CC2)C2CCCCCC2)\C=C\[C@@H]1C |t:50|
36360 CCNC(=O)O[C@H]1\C=C\[C@H](C)[C@H](OC(=O)C[C@H](O)CC[C@@]1(C)O)C(\C)=C\C=C\[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC |t:7|
36361 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(C=C2)=Cc2c(C)cc(C)n2[B-]3(F)F)\C=C\[C@@H]1C |c:53,55,t:50,69|
36362 [H][C@@]12CS[C@H](CCCCC(=O)N(C)CCN(C)C(=O)[C@H](CCCCNC(=O)O[C@H]3\C=C\[C@H](C)[C@H](OC(=O)C[C@H](O)CC[C@@]3(C)O)C(\C)=C\C=C\[C@@H](C)C[C@H]3O[C@@H]3[C@H](C)[C@@H](O)CC)NC(=O)c3ccc(cc3)C3(N=N3)C(F)(F)F)[C@]1([H])NC(=O)N2 |c:75,t:29|
36363 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1
36364 Oc1ccccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1
36365 O=C(CN1CCN(Cc2ccccc2)CC1)N\N=C\c1ccccc1
36366 CN1CCN(CC(=O)N\N=C\c2ccccc2O)CC1
36367 CC=NNC(=O)CN1CCN(Cc2ccccc2)CC1 |w:1.0|
36368 NNC(=O)CN1CCN(Cc2ccccc2)CC1
36369 CCOC(=O)CN1CCN(Cc2ccccc2)CC1
36370 CCOC(=O)CN1CCNCC1
36371 CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O
36372 CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=O
36373 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nccn12
36374 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CCc3ccccc3)cn12
36375 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(CNc3ccccc3)cn12
36376 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(COc3ccccc3)cn12
36377 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nc(cn12)C#Cc1ccccc1
36378 [NH3+]CCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:4|
36379 [NH3+]CCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:6|
36380 OCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:5|
36381 CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:4|
36382 [NH3+]CCCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |t:6|
36383 OC[C@H]1C[C@H]2NC[C@]1(O)[C@H](O)[C@@H]2O
36384 OC[C@H]1CNC(O)[C@@H](O)[C@@H]1O
36385 OC[C@H]1CNC(=O)[C@@H](O)[C@@H]1O
36386 OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)c2nnnn12
36387 OC[C@H]1ONC[C@@H](O)[C@@H]1O
36388 O[C@H]1CCN2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12
36389 O[C@H]1[C@H]2CC[C@](O)(N2)[C@@H](O)[C@@H]1O
36390 OC[C@H]1N=C(NO)[C@H](O)[C@@H](O)[C@@H]1O |t:3|
36391 CCO[C@@H]1O[C@@]2(CO)CCC[C@]1(O)[C@@H](O)[C@@H]2O |THB:14:13:4.3:10.8.9,16:15:4.3:10.8.9|
36392 OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc1ccccc1 |THB:13:12:7.5:2.3|
36393 [NH3+]CCCNC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |t:5|
36394 OC[C@H]1O[C@@H](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O
36395 NC1=NC(Nc2cccc(F)c12)c1cccs1 |t:1|
36396 NC1=NC(CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c12 |t:1|
36397 NCc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:28|
36398 CCN1c2cccc(F)c2C(N)=NC11CCN(CC1)C(=O)c1ccc(cc1)C#N |c:12|
36399 Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1
36400 CCOC(=O)N1CCC(CC1)Nc1cc(Cl)ccn1
36401 C[C@H]1CN=C(N)c2sccc2O1 |t:3|
36402 CCC[C@@H]1COc2ccsc2C(N)=N1 |c:13|
36403 NC1=N[C@H](COc2ccc3CCNCc3c2)COc2ccsc12 |t:1|
36405 COCc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:27|
36406 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2nc3ccccc3s2)c1 |c:6|
36407 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(F)cn2)c1 |c:6|
36408 COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
36410 Nc1ncnc2n(nc(-c3ccn4ccnc4c3)c12)C1CCCC1
36411 Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O |(-2.34,-2.43,;-2.02,-3.93,;-3.16,-4.96,;-2.84,-6.46,;-1.38,-6.94,;-.23,-5.91,;-.55,-4.4,;.59,-3.38,;.27,-1.87,;-1.2,-1.4,;-1.67,.06,;-.77,1.31,;-1.67,2.55,;-1.2,4.01,;-2.23,5.16,;-1.75,6.62,;-.25,6.94,;.78,5.8,;2.28,6.12,;.31,4.33,;-3.14,2.08,;-4.47,2.85,;-4.47,4.38,;-5.8,2.08,;-5.8,.54,;-4.47,-.23,;-3.14,.54,;1.41,-.84,;2.88,-1.32,;4.02,-.29,;5.48,-.76,;5.8,-2.27,;4.66,-3.3,;4.98,-4.8,;3.2,-2.82,;2.05,-3.85,;2.37,-5.35,)|
36412 [H][C@]12C[C@]([H])(C=C1)c1c(O)n(c(O)c21)-c1ccc(cc1)C(=O)Nc1cccc2c(C)ccnc12 |c:5|
36413 [H][C@]1(Cn2c(=O)n(Cc3cc(=O)n4c(C)cccc4n3)c3ccccc3c2=O)CC[C@@]([H])(CC1)C(=O)NCc1ccccc1 |r,wU:1.1,30.34,wD:1.0,30.38,(-.8,-3.01,;.38,-4,;-1.16,-4,;-1.92,-2.67,;-3.46,-2.67,;-4.23,-4,;-4.23,-1.33,;-5.77,-1.33,;-6.54,-0,;-8.08,-0,;-8.85,1.33,;-10.38,1.33,;-8.08,2.66,;-8.85,4,;-10.38,4,;-8.08,5.33,;-6.54,5.33,;-5.77,4,;-6.54,2.66,;-5.77,1.33,;-3.46,0,;-4.23,1.33,;-3.46,2.67,;-1.92,2.67,;-1.15,1.33,;-1.92,0,;-1.15,-1.33,;.38,-1.33,;1.15,-2.66,;2.69,-2.66,;3.46,-4,;4.33,-5.27,;2.69,-5.33,;1.15,-5.33,;5,-4,;5.77,-2.67,;5.77,-5.33,;7.3,-5.33,;8.07,-4,;7.3,-2.66,;8.07,-1.33,;9.61,-1.33,;10.38,-2.66,;9.61,-4,)|
36414 [H][C@]1(Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)CC[C@@]([H])(CC1)C(=O)NCc1ccccc1 |r,wU:1.1,26.29,wD:1.0,26.33,(-1.18,-1.6,;0,-2.59,;-1.54,-2.59,;-2.31,-1.26,;-3.85,-1.26,;-4.61,-2.59,;-4.62,.07,;-6.15,.07,;-6.92,1.4,;-6.15,2.74,;-6.92,4.07,;-8.46,4.07,;-9.23,2.74,;-8.46,1.4,;-9.23,.07,;-10,-1.26,;-3.85,1.41,;-4.62,2.74,;-3.85,4.08,;-2.31,4.08,;-1.54,2.74,;-2.31,1.41,;-1.54,.07,;,.07,;.77,-1.25,;2.31,-1.25,;3.08,-2.59,;3.94,-3.87,;2.31,-3.92,;.77,-3.92,;4.62,-2.59,;5.38,-1.26,;5.38,-3.92,;6.92,-3.92,;7.69,-2.59,;6.92,-1.25,;7.69,.08,;9.23,.08,;10,-1.25,;9.23,-2.59,)|
36415 Brc1cc(oc1Br)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36416 Fc1ccc(cc1F)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36417 O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cccc2C(=O)c3ccccc3-c12
36418 Clc1ccc(cc1Cl)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36419 Clc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36420 COc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36421 O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)n1c2ccccc2c2ccccc12
36422 Fc1ccc(cc1)C(=O)N(CCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)c1ccc(F)cc1
36423 Cc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36424 O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccco1
36425 C=Cc1ccc(cc1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36426 O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc[nH]1
36427 Clc1cc(Cl)cc(c1)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36428 COc1cc(cc(OC)c1OC)C(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36429 Clc1ccc2n(C3CCN(CCNC(=O)c4ccccc4Cl)CC3)c(=O)[nH]c2c1
36430 O=C(CSc1ccccc1)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36431 CCCCCCCCCCCCCCCC(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36432 FC(F)(F)c1ccc(cc1)C(=O)NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
36433 Clc1ccc(cc1)C(=O)N(CCN1CCC2(CC1)N(CNC2=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
36434 CCCCCCCC(=O)NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
36435 CCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
36436 CCCCSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
36437 CCc1c(C)[nH]n(-c2nn[n-]n2)c1=O
36438 O=C1CCCC(Nc2nn[n-]n2)=C1 |c:12|
36439 [O-]C(=O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
36440 C[C@H](N1C(=O)C2C3CCC(C3)C2C1=O)C([O-])=O
36441 [O-]C(=O)CN1C(=O)O[C@H](C1=O)c1ccccc1
36442 O=C1N(CCc2nn[n-]n2)C(=O)c2ccccc12
36443 Nc1sc2CCCCc2c1-c1nn[n-]n1
36444 [O-]S(=O)(=O)C1=CC(=O)C(=O)c2ccccc12 |t:4|
36445 C(Oc1cccc(c1)-c1nn[n-]n1)c1ccccc1
36446 [O-]S(=O)(=O)[C@H]1CC(=O)C(=O)c2ccccc12
36447 O=c1n(Cc2nn[n-]n2)cnc2sc3CCCCc3c12
36448 Fc1cccc(c1)C(=O)Nc1cccc(c1)-c1nn[n-]n1
36449 Cn1cc(C(=O)Nc2cccc(c2)-c2nn[n-]n2)c2ccccc12
36450 O=C(Nc1cccc(c1)-c1nn[n-]n1)C(Sc1ccccc1)c1ccccc1
36451 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccco2)cc(c1)C(F)(F)F |c:6|
36452 OC(=O)c1cccc(\C=N\OCCO\N=C\c2cc(=O)[nH]c(=O)[nH]2)c1
36453 OC(=O)c1cccc(\C=N\OCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1
36454 OC(=O)c1cccc(CNCCCO\N=C\c2cc(=O)[nH]c(=O)[nH]2)c1
36455 OC(=O)c1cccc(CNCCCCNCc2cc(=O)[nH]c(=O)[nH]2)c1
36456 NOCCCNCc1cc(=O)[nH]c(=O)[nH]1
36457 NCCCO\N=C\c1cc(=O)[nH]c(=O)[nH]1
36458 O=Cc1cc(=O)[nH]c(=O)[nH]1
36459 OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)c2)c(Cc2ccccc2)c1
36460 OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
36461 COc1ccc(cc1CC1CCCCC1)C(=O)Nc1ccc(cc1Cc1ccccc1)C(O)=O
36462 CONC(=O)c1ccc(C)c(Nc2nc(NCC3CCCC(CN)C3)nc(NC(C)C(C)(C)C)n2)c1
36463 CONC(=O)c1ccc(C)c(Nc2nc(NCC3CCCC(CN)C3)nc(NC3CCCCC3)n2)c1
36464 CONC(=O)c1ccc(C)c(Nc2nc(NCc3cccc(C)c3)nc(NC(C)C(C)(C)C)n2)c1
36465 CCCCN(C)c1nc(NCCc2ccccc2OC)nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)n1
36466 CCCCN(C)c1nc(NCCc2c[nH]c3ncccc23)nc(NCCc2ccccc2OC)n1
36467 COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(n1)N(C)[C@@H](C)c1ccccc1
36468 COc1ccccc1CCNc1nc(NC(Cc2c[nH]c3ncccc23)C(N)=O)nc(Nc2ccc3ncccc3c2)n1
36469 COc1cc(Nc2nc(NCCc3ccccc3F)nc(Nc3ccc4ncccc4c3)n2)ccc1C
36470 COc1ccc(Nc2nc(NC(Cc3c[nH]c4ncccc34)C(N)=O)nc(Nc3ccc4ncccc4c3)n2)cc1OC
36471 CNc1nc(NCCc2ccccc2OC)nc(Nc2ccc3ncccc3c2)n1
36472 CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(NCC(C)C)nc(n1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
36473 CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
36474 CCOc1nc(N[C@@H](Cc2ccc3OC(C)(C)OCc3c2)C(=O)NC)nc(n1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
36475 CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2cc(ccc12)C(=O)N1CCCc2ccccc12
36476 CNC(=O)[C@H](Cc1ccc2OC(C)(C)OCc2c1)Nc1nc(nc(=O)[nH]1)-n1cnc2ccc(cc12)C(=O)N1CCCc2ccccc12
36477 O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCCCCC1
36478 O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccccc1
36479 CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
36480 CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCCc3c(=O)oc2c1
36481 Clc1cc(ccc1OC(=O)CNC(=O)OCc1ccccc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
36482 CC(C)(C)OC(=O)NCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
36483 CC(C)C[C@H](NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
36484 CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
36485 COc1cc(ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1)N1CCC(O)CC1
36486 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
36487 CC(C)c1cc(Oc2c(I)cc(Cc3[nH]c(=O)[nH]c3O)cc2I)ccc1O
36488 CC(C)c1cc(Oc2c(C)cc(Cc3[nH]c(=O)[nH]c3O)cc2C)ccc1O
36489 CN1SC(=C)c2cc(ccc12)S(=O)(=O)Nc1ccccc1N1CCCCC1
36490 C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(C[NH3+])cc1 |r|
36491 C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1cccc(c1)C([O-])=O |r|
36492 C[C@]12CCC3C(CCc4cc(O)ccc34)C1CC[C@@]2(O)C#Cc1ccc(cc1)[N+](C)(C)C |r|
36493 CC(C)(C)OC(=O)NCc1ccc(cc1)C#C[C@]1(O)CCC2C3CCc4cc(O)ccc4C3CC[C@]12C |r|
36494 CCSCC1NC(C(O)C1O)c1c[nH]c2c(N)ncnc12
36495 Nc1ncnc2c(c[nH]c12)C1NC(CSCc2ccccc2)C(O)C1O
36496 Nc1ncnc2c(c[nH]c12)C1NC(CSc2ccc(Cl)cc2)C(O)C1O
36497 Nc1ncnc2c(CN3CC(O)C(CSCc4ccccc4)C3)c[nH]c12
36498 Nc1ncnc2c(CN3CC(O)C(CSc4ccc(Cl)cc4)C3)c[nH]c12
36499 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]P([#8-])(=O)P([#8-])([#8-])=O
36500 OC(=O)Cc1csc2ccc(Cl)cc12
36501 Cc1c(CC(O)=O)sc2ccc(Cl)cc12
36502 COc1ccc2c(CC(O)=O)coc2c1
36503 OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
36504 CC(C(O)=O)c1cc2c(Cl)cccc2s1
36505 OC(=O)Cc1sc2ccccc2c1Cl
36506 OC(=O)Cc1csc2ccc3ccccc3c12
36507 OC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
36508 OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O
36509 OC(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O
36510 OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
36511 OC(=O)c1cc(Cn2c(cc3ccc4ccccc4c23)C(O)=O)on1
36512 OC[C@H]1[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@@H]1O
36513 O[C@H]1[C@@H]2O[C@@H]2[C@H](CN=[N+]=[N-])[C@@H](O)[C@@H]1O
36514 CC1=CC(C)=[N+]2C1=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1c(C)cc(C)n1[B-]2(F)F |c:4,7,t:1|
36515 COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F |c:12,t:9,14|
36516 Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
36517 Cc1c(N)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
36518 CC(=O)Nc1cccc(c1C)-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
36519 Cc1c(NCc2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
36520 Cc1c(NC(=O)c2cccc(c2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
36521 Cc1c(NC(=O)c2ccc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
36522 O=C1NC(=O)c2c1c1c3ccccc3n3[Ru](C#[O])[n+]4cccc2c4c13
36523 Oc1ccc2n3[Ru](C#N)[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45
36524 CN1C(=O)c2c(C1=O)c1ccc[n+]3[Ru](C#N)n4c5ccc(O)cc5c2c4c13
36525 CN1C(=O)c2c(C1=O)c1cc(F)c[n+]3[Ru](C#[O])n4c5ccc(O)cc5c2c4c13
36526 CN1C(=O)c2c(C1=O)c1cc(F)c[n+]3[Ru](C#N)n4c5ccc(O)cc5c2c4c13
36527 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
36528 CCn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O
36529 CC(=O)Nc1nc(CN2CCC(COc3cccc4nc(N)nc(N)c34)CC2)cs1
36530 Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1
36531 Nc1nc(N)c2c(OCC3CCN(CC(F)(F)F)CC3)cccc2n1
36532 Nc1nc(N)c2c(OCC3CCN(CC3)c3ccccc3Cl)cccc2n1
36533 Cn1ccnc1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1
36534 Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
36535 Nc1nc(N)c2c(OCC3CCN(CC4CCNCC4)CC3)cccc2n1
36536 Nc1nc(N)c2c(COc3ccccc3I)cccc2n1
36537 Oc1ccccc1Oc1ccccc1
36538 Oc1cc(F)ccc1Oc1ccccc1
36539 Oc1cc(Cl)ccc1Oc1ccccc1
36540 Oc1cc(Br)ccc1Oc1ccccc1
36541 Oc1cc(ccc1Oc1ccccc1)N(=O)=O
36542 Cc1ccc(Oc2ccccc2)c(O)c1
36543 CCCc1ccc(Oc2ccccc2)c(O)c1
36544 OCCCCNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1
36545 C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cc1ccco1
36546 CC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O
36547 COc1ccc(CNCCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)cc1
36548 COc1ccc(CN(CCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)Cc2ccc(OC)cc2)cc1
36549 CC(=O)NC1CN(CCCCCCCNC(=O)CCCCC2SCC3NC(=O)NC23)C(CO)C(O)C1O
36550 CC(=O)NC1CN(CCCCCCCN=[N]#N)C(CO)C(O)C1O
36551 CN(CC#C)Cc1ccc(O)c2ncccc12
36552 CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
36553 CCN(C)C(=O)Oc1ccc(CN(C)CC#C)c2cccnc12
36554 NC(Cc1ccc(O)c(c1)N(=O)=O)C(O)=O
36555 NC(Cc1ccc(O)c(N)c1)C(O)=O
36556 NC(Cc1ccc(O)c(c1)N=[N]#N)C(O)=O
36557 NC(Cc1ccc(O)c(C=O)c1)C(O)=O
36558 NC(Cc1ccc(N)cc1)C(O)=O
36559 OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 |r|
36560 O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccccc1 |r|
36561 COc1ccc(C(=O)N[C@H](C(O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccccc2)c(Cl)c1OC |r|
36562 OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r|
36563 OC(CN(CCc1ccc2OCOc2c1)C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r|
36564 OC(CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r|
36565 COc1cccc(CCN(CC(O)[C@@H](NC(=O)Cn2c(O)csc2=S)c2ccccc2)C(=O)NC2CCCCC2)c1 |r|
36566 CCCCCCC(=O)N(CCc1cccc(OC)c1)CC(O)[C@@H](NC(=O)Cn1c(O)csc1=S)c1ccccc1 |r|
36567 OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
36568 O[C@H](CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
36569 OC(CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
36570 OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 |r|
36571 OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1cccc(Cl)c1)c1ccccc1 |r|
36572 COc1cc(Br)c(cc1OC)C(=O)N[C@H](C(O)CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 |r|
36573 Cc1ccc(CCN(CC(O)[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 |r|
36574 CN1[C@H](C2C(C(=O)N(Cc3ccc4OCOc4c3)C2=O)C1(C)C)c1ccc(cc1)C(N)=N |r|
36575 CN1[C@H](C2C(CN(Cc3ccc4OCOc4c3)C2=O)C1(C)C)c1ccc(cc1)C(N)=N |r|
36576 C[C@@H]1C2C([C@@H](N(C)C2(C)C)c2ccc(cc2)C(N)=N)C(=O)N1Cc1ccc2OCOc2c1 |r|
36577 CC[C@@H]1C2C([C@@H](N(C)C2(C)C)c2ccc(cc2)C(N)=N)C(=O)N1Cc1ccc2OCOc2c1 |r|
36578 CCC[C@@H]1C2C([C@@H](N(C)C2(C)C)c2ccc(cc2)C(N)=N)C(=O)N1Cc1ccc2OCOc2c1 |r|
36579 CN1[C@H](C2C([C@@H](C3CCCCC3)N(Cc3ccc4OCOc4c3)C2=O)C1(C)C)c1ccc(cc1)C(N)=N |r|
36580 CN1[C@H](C2CN(Cc3ccc4OCOc4c3)C(=O)C2C1(C)C)c1ccc(cc1)C(N)=N |r|
36581 C[C@@H]1C2[C@@H](N(C)C(C)(C)C2C(=O)N1Cc1ccc2OCOc2c1)c1ccc(cc1)C(N)=N |r|
36582 NC(=N)c1ccc(cc1)[C@@H]1C2CCCC2C2C1C(=O)N(Cc1ccc3OCOc3c1)C2=O |r|
36583 CC[C@@H]1C2C3CCCC3[C@H](C2C(=O)N1Cc1ccc2OCOc2c1)c1ccc(cc1)C(N)=N |r|
36584 NC(=N)c1ccc(cc1)[C@@H]1C2CCCC2C2[C@@H](C3CC3)N(Cc3ccc4OCOc4c3)C(=O)C12 |r|
36585 CCC[C@@H]1C2C3CCCC3[C@H](C2C(=O)N1Cc1ccc2OCOc2c1)c1ccc(cc1)C(N)=N |r|
36586 NC(=N)c1ccc(cc1)[C@@H]1C2CCCC2C2C1C(=O)N(Cc1ccc3OCOc3c1)[C@@H]2C1CCCCC1 |r|
36587 NC(=N)c1ccc(cc1)[C@@H]1C2CCCC2C2C1C(=O)N(Cc1ccc3OCOc3c1)[C@@H]2c1ccccc1 |r|
36588 [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6]-1[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl |r|
36589 [#6]-[#8]-[#6@@H]1-[#6](=O)-[#6]-[#6][C@]2([#6]-[#8]2)[C@@]1([#8])[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
36590 [#6]-[#8]-[#6@H]-1-[#6]([C@]2([#6])[#8]-[#6]2-[#6]\[#6]=[#6](\[#6])-[#6])[C@@]2([#6]-[#8]2)[#6]-[#6]-[#6]-1=O |r|
36591 [#6]-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@]2([#6]-[#8]2)[#6]-1[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
36592 [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[#6]-1[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#6]-[#6]-[#6]Cl |r|
36593 [#6]-[#8]-[#6@@H]-1-[#6@@H](-[#6]-[#6][C@]([#8])([#16]-[#6])[#6]-1[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl |r|
36594 [#6]-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@]([#8])([#16]-[#6])[#6]-1[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
36595 [#6]-[#8]-[#6@@H]1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[C@@]1([#8])[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl |r|
36596 [#6]-[#8]-[#6@@H]1-[#6@H](-[#8])-[#6]-[#6][C@]2([#6]-[#8]2)[C@@]1([#8])[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
36597 [#6]-[#8]-[#6@@H]1-[#6@@H](-[#6]-[#6][C@]2([#6]-[#8]2)[C@@]1([#8])[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#6]-[#6]-[#6]Cl |r|
36598 [#6]-[#8]-[#6@@H]1-[#6@@H](-[#6]-[#6][C@]([#8])([#16]-[#6])[C@@]1([#8])[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6])-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl |r|
36599 [#6]-[#8]-[#6@@H]1-[#6@H](-[#8])-[#6]-[#6][C@]([#8])([#16]-[#6])[C@@]1([#8])[C@]1([#6])[#8]-[#6]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
36600 COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
36601 O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
36602 Oc1ccc(cc1)C(=O)N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1 |r|
36603 OC(=O)c1cccc(O)c1C(=O)c1ccc(cc1)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r|
36604 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccccc1 |r|
36605 CCCCCCOC(=O)[C@@]1(O)CC2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
36606 Brc1ccc(\C=C\CNCCNOS(=O)c2cccc3cnccc23)cc1
36607 OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1
36608 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
36609 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |c:14,33,t:29,31|
36610 CCO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:34,t:49,51,53|
36611 CCO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:34,t:49,51,53|
36612 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)SC)CC[C@H]1O |c:14,33,t:29,31|
36613 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)SC)CC[C@H]1O |c:14,33,t:29,31|
36614 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)NC(=O)OC)CC[C@H]1O |c:14,33,t:29,31|
36615 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)NC(=O)OC)CC[C@H]1O |c:14,33,t:29,31|
36616 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31|
36617 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31|
36618 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2c(OC)cc(OC)cc2OC)CC[C@H]1O |c:14,33,t:29,31|
36619 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccco2)CC[C@H]1O |c:14,33,t:29,31|
36620 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccco2)CC[C@H]1O |c:14,33,t:29,31|
36621 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc[nH]2)CC[C@H]1O |c:14,33,t:29,31|
36622 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)c2ccc[nH]2)CC[C@H]1O |c:14,33,t:29,31|
36623 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\CC[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O |c:14,33,t:29,31|
36624 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=CC=C(C)C(=O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O |w:31.30,33.32,c:14,t:29|
36625 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OCc2ccccc2)CC[C@H]1O |c:14,33,t:29,31|
36626 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OCc2cccc(c2)N(=O)=O)CC[C@H]1O |c:14,33,t:29,31|
36627 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OCc2ccc(Cl)cc2)CC[C@H]1O |c:14,33,t:29,31|
36628 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OCc2ccc(N=[N]#N)c(I)c2)CC[C@H]1O |c:14,33,t:29,31|
36629 CC(C)([NH3+])C([O-])=O
36630 CC(C)([NH2+]O)C([O-])=O
36631 [NH3+]C1(CCC1)C([O-])=O
36632 O[NH2+]C1(CCC1)C([O-])=O
36633 c1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36634 Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36635 C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2ccccc12
36636 Cc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36637 C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2cccnc12
36638 CCCc1nc2ccc(Cl)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36639 CC(C)c1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36640 CCCCc1nc2ccc(O)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36641 C(Oc1ccc2c3CCC=Cc3[nH]c2c1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |c:9|
36642 Oc1ccc2c3CCC=Cc3n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:8|
36643 C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1c2C=CCCc2c2ccccc12 |c:23|
36644 CCCCc1nc2CCSc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36645 CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
36646 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccccc4)C3=O)cc12 |r|
36647 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc([NH-])c5c4)C3=O)cc12 |r|
36648 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(N)c5c4)C3=O)cc12 |r|
36649 CNc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(NC)c5c4)C3=O)cc12 |r|
36650 CCNc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(NCC)c5c4)C3=O)cc12 |r|
36651 CC(C)Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(NC(C)C)c5c4)C3=O)cc12 |r|
36652 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(NC4CC4)c3c2)C(=O)N(Cc2ccc3[nH]nc(NC4CC4)c3c2)[C@@H]1Cc1ccccc1 |r|
36653 CCCNc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(NCCC)c5c4)C3=O)cc12 |r|
36654 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(NC4CCC4)c3c2)C(=O)N(Cc2ccc3[nH]nc(NC4CCC4)c3c2)[C@@H]1Cc1ccccc1 |r|
36655 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(CC4CC4)C3=O)cc12 |r|
36656 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(CC4CCC4)C3=O)cc12 |r|
36657 Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5ccccc5c4)C3=O)cc12 |r|
36658 CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O |r|
36659 CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O |r|
36660 Nc1nc(N)c2ccc(cc2n1)S(=O)(=O)c1ccccc1
36661 CN(C)c1cccc2c(cccc12)S(=O)(=O)NN
36662 O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ncon1
36663 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1
36665 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(CC(N)C(O)=O)cc1
36666 NC(Cc1ccc(OS(=O)(=O)c2cccc3c(Cl)cccc23)cc1)C(O)=O
36667 NC(Cc1ccc(NS(=O)(=O)c2cccc3c(Cl)cccc23)cc1)C(O)=O
36668 NC(Cc1ccc(OS(=O)(=O)c2cccc3ccccc23)cc1)C(O)=O
36669 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(O)=O)cc1
36671 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(N)=O)cc1
36673 CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(CC(N)C(N)=O)cc1
36674 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(C)=O)C(N)=O)cc1
36676 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(=O)OC(C)(C)C)C(O)=O)cc1
36677 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)cc1
36678 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(=O)NCC(N)=O)cc1
36679 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(=O)NCC(O)=O)cc1
36680 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CCC(O)=O)cc1
36681 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1c(Br)cc(CC(N)C(O)=O)cc1Br
36683 Cc1ccc(cc1)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1
36684 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccs2)C(O)=O)cc1 |r|
36685 COC(=O)c1sccc1S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r|
36686 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Br)c(Br)s2)C(O)=O)cc1 |r|
36687 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2ccon2)C(O)=O)cc1 |r|
36688 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2ccccn2)C(O)=O)cc1 |r|
36689 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(s2)-c2cc([n+](C)[nH]2)C(F)(F)F)C(O)=O)cc1 |r|
36690 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
36691 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)C(O)=O)cc1 |r|
36692 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2sc(NC(C)=O)nc2C)C(O)=O)cc1 |r|
36693 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cn(C)cn2)C(O)=O)cc1 |r|
36694 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)nn(C)c2Cl)C(O)=O)cc1 |r|
36695 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2c(C)noc2C)C(O)=O)cc1 |r|
36696 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2N(=O)=O)C(F)(F)F)C(O)=O)cc1 |r|
36697 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccccc2Cl)C(O)=O)cc1 |r|
36698 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(C)cc2)C(O)=O)cc1 |r|
36699 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)Cc2ccccc2)C(O)=O)cc1 |r|
36700 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r|
36701 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(cc2)N(=O)=O)C(O)=O)cc1 |r|
36702 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(O)=O)cc1 |r|
36703 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3ccccc3c2)C(O)=O)cc1 |r|
36704 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2cnc3ccccc3n2)C(O)=O)cc1 |r|
36705 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)c2cccc3nsnc23)C(O)=O)cc1 |r|
36706 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(O)=O)cc1 |r|
36707 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)C(O)=O)cc1 |r|
36708 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r|
36709 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3ccccc23)C(O)=O)cc1 |r|
36710 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cccnc23)C(O)=O)cc1 |r|
36711 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(Cl)cccc23)C(O)=O)cc1 |r|
36712 CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1)C(O)=O |r|
36713 [H][C@]12CCC(CS(=O)(=O)N[C@@H](Cc3ccc(OS(=O)(=O)c4cccc5c(cccc45)N(C)C)cc3)C(O)=O)(C(=O)C1)C2(C)C |r|
36714 CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)CC(F)(F)F)C(O)=O)cc1 |r|
36715 Clc1cccc(NC(=S)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1
36716 NC(CCC(=O)Nc1ccc2ccccc2c1)C(O)=O
36717 CC(CCCC(C)(C)O)C1CCC2CC(CCC12C)\C=C\C=C1\C[C@@H](C)C[C@H](C)C1=C |r|
36718 CC(C)(C)C(=O)COc1ccc(cc1Cl)C(C)(C)c1ccc(OCC(=O)C(C)(C)C)c(Cl)c1
36719 Cc1cc(ccc1OCC(=O)C(C)(C)C)C1(CCCCC1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
36720 CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
36721 CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
36722 CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
36723 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1
36724 COc1ccccc1Nc1nc(NCCO)nc2N(CNc12)C(C)C
36725 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1C(F)(F)F
36726 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1Cl
36727 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc(Cl)cc1Cl
36728 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc2ccccc2c1
36729 COc1cccc(Nc2nc(NCCO)nc3N(CNc23)C(C)C)c1
36730 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(c1)C(F)(F)F
36731 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(Cl)c1
36732 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(F)c1
36733 CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(Br)c1
36734 CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc(F)c(Cl)c1
36735 COc1ccc(CNc2nc(NCCO)nc3N(CNc23)C(C)C)cc1
36736 CCN(CCO)c1nc2N(CNc2c(NCc2ccc(OC)cc2)n1)C(C)C
36737 COc1ccc(CNc2nc(NCC(O)CO)nc3N(CNc23)C(C)C)cc1
36738 COc1ccc(CNc2nc(NCC(O)CN)nc3N(CNc23)C(C)C)cc1
36739 COc1ccc(CNc2nc(NCC(O)c3ccccc3)nc3N(CNc23)C(C)C)cc1
36740 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(C)CC(O)c2ccccc2)cc1
36741 COc1ccc(CNc2nc(NC(CO)CO)nc3N(CNc23)C(C)C)cc1
36742 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(C)CC2)cc1
36743 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(CCO)CC2)cc1
36744 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCC(O)CC2)cc1
36745 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCCC2)cc1
36746 COc1ccc(CNc2nc(NCCCO)nc3N(CNc23)C(C)C)cc1
36747 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)CCO)cc1
36748 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CC(C)O)CC(C)O)cc1
36749 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)CCCO)cc1
36750 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)Cc2ccccc2)cc1
36751 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCN(C)C)Cc2ccccc2)cc1
36752 COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3N(CNc23)C(C)C)cc1 |r|
36753 COc1ccc(CNc2nc(N[C@H](CO)C(C)C)nc3N(CNc23)C(C)C)cc1 |r|
36754 CC[C@H](CO)Nc1nc2N(CNc2c(NCc2ccc(OC)cc2)n1)C(C)C |r|
36755 COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3N(CNc23)C(C)C)cc1 |r|
36756 COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3N(CNc23)C(C)C)cc1
36757 COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCC2CCO)cc1
36758 CC(C)N1CNc2c1nc(NCCCO)nc2Nc1cccc(Cl)c1
36759 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)CCO
36760 CC(O)CN(CC(C)O)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C
36761 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)CCCO
36762 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)Cc1ccccc1
36763 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCN(C)C)Cc1ccccc1
36764 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36765 CC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36766 CC[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36767 CC(C)C[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36768 CC(C)N1CNc2c1nc(NC1(CO)CCCC1)nc2Nc1cccc(Cl)c1
36769 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N1CCCCC1CCO
36770 CC(C)N1CNc2c1nc(NCCN(C)C)nc2Nc1cccc(Cl)c1
36771 CC(C)N1CNc2c1nc(N[C@@H](CO)c1ccccc1)nc2Nc1cccc(Cl)c1 |r|
36772 CC(C)N1CNc2c1nc(N[C@H](CO)c1ccccc1)nc2Nc1cccc(Cl)c1 |r|
36773 CC(C)N1CNc2c1nc(N[C@H](CO)C(C)(C)C)nc2Nc1cccc(Cl)c1 |r|
36774 CCC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36775 CC(C)N1CNc2c1nc(N[C@H](CO)CC1CCCCC1)nc2Nc1cccc(Cl)c1 |r|
36776 CC(C)N1CNc2c1nc(N[C@H](CO)Cc1ccccc1)nc2Nc1cccc(Cl)c1 |r|
36777 CC(C)N1CNc2c1nc(N[C@@H]1Cc3ccccc3[C@@H]1O)nc2Nc1cccc(Cl)c1 |r|
36778 CC(C)N1CNc2c1nc(N[C@H]1Cc3ccccc3[C@H]1O)nc2Nc1cccc(Cl)c1 |r|
36779 CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N1CCC[C@@H]1CO |r|
36780 CC(C)N1CNc2c1nc(NCc1ccccc1C(F)(F)F)nc2Nc1cccc(Cl)c1
36781 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccccc2)n1)C(C)C |r|
36782 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2cc(N)cc(Cl)c2)n1)C(C)C |r|
36783 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(C(O)=O)c(Cl)c2)n1)C(C)C |r|
36784 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(c2)C(O)=O)n1)C(C)C |r|
36785 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(F)c(Cl)c2)n1)C(C)C |r|
36786 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(O)c(c2)C(O)=O)n1)C(C)C |r|
36787 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(N)c2)n1)C(C)C |r|
36788 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Br)cc2)n1)C(C)C |r|
36789 CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)cc2)n1)C(C)C |r|
36790 CC(C)[C@H](CO)Nc1nc2N(CNc2c(NCc2cccc(I)c2)n1)C(C)C |r|
36791 CC(C)N1CNc2c1nc(nc2NCc1ccccc1)N1CCCCC1CCO
36792 CC(C)N1CNc2c1nc(nc2NCc1cccc(I)c1)N1CCCCC1CCO
36793 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(F)(F)F)c1 |c:6|
36794 CC(C)N1CNc2c1nc(nc2NCc1cccc(c1)C(F)(F)F)N1CCCCC1CCO
36795 CC(C)N1CNc2c1nc(nc2N(CCN(C)C)Cc1ccccc1)N1CCCCC1CCO
36796 CC(C)N1CNc2c1nc(nc2NCc1ccc2ccccc2c1)N1CCCCC1CCO
36797 CC(C)N1CNc2c1nc(nc2Nc1ccccc1)N1CCCCC1CCO
36798 CC(C)N1CNc2c1nc(nc2Nc1ccc(Cl)cc1)N1CCCCC1CCO
36800 CCCCNc1nc(nc2N(CNc12)C(C)C)N1CCCCC1CCO
36801 CC(C)N1CNc2c1nc(nc2NCCCc1ccccc1)N1CCCCC1CCO
36802 CC(C)N1CNc2c1nc(nc2NCCNc1ccccc1)N1CCCCC1CCO
36803 CC(C)N1CNc2c1nc(nc2NCCC(c1ccccc1)c1ccccc1)N1CCCCC1CCO
36804 CCN([C@@H](O)C(C)C)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36805 CC(C)[C@H](O)N(Cc1ccccc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36806 CC(C)[C@H](O)N(Cc1cccc(F)c1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36807 CC(C)[C@H](O)N(Cc1ccc(C)cc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36808 CC(C)[C@H](O)N(Cc1ccc(F)cc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36809 CC(C)[C@H](O)N(CC1CCCCC1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
36810 CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
36811 CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O |t:4|
36812 CCCNC1OC1C(=O)N[C@@H](C(C)CC)C(=O)N1CCC[C@@H]1C(O)=O |r|
36813 CCC(C)[C@H](NC(=O)C1OC1NCC(C)C)C(=O)N1CCC[C@@H]1C(O)=O |r|
36814 CCC(C)[C@H](NC(=O)C1OC1NCCc1ccc(O)cc1)C(=O)N1OCC[C@@H]1C(O)=O |r|
36815 Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1 |t:8|
36816 CCC1CCCCN1C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
36817 CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1
36818 Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2cccnc2)cc1
36819 Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)NC1CCCC1
36820 CC\N=c1/sc(cc(=O)n1CC)C(=O)NCCc1ccccc1
36821 CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1|
36822 O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1c2ccccc2CCc2ccccc12
36823 CCOc1nc(ccc1-c1noc(n1)-c1ccco1)-c1ccccc1
36824 CCOc1ccc(cc1)S(=O)(=O)n1cnc2cc(C)c(C)cc12
36825 CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1
36826 C(Sc1nnc(o1)-c1cccs1)c1ccccc1
36827 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc1nc2CCCCc2s1)C1CC1
36828 CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
36829 FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1
36830 CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc12)C(=O)Nc1ccccc1OC
36832 Clc1cc(NC(=O)c2nnc[nH]2)ccc1N1CCCCC1
36833 CCCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1
36834 CN(C)CC(C(=O)c1ccccc1)c1ccccc1
36835 Fc1ccc(CN(C(=O)CSc2nnc(Cn3nnc4ccccc34)o2)c2ccccc2)cc1
36836 COc1cccc(c1)-c1csc(n1)N1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1
36837 CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2C)cc1Cl
36838 C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1
36839 Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1
36840 CCOc1ccc(cc1OCC)-c1nnc(o1)-c1ccco1
36841 CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(OC)cc1
36842 COc1cc(cc(OC)c1OC)-c1noc(n1)C1CCCN(C1)S(=O)(=O)c1cccc(Cl)c1
36843 COc1ccc2[nH]c(=O)c3C=CC(C)(C)Oc3c2c1 |c:10|
36844 COc1ccc(cc1F)C(=O)C(CN1CCOCC1)c1ccccc1
36845 Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
36846 Oc1ccc(cc1)-c1nnc(SCC2CCCCC2)o1
36847 CCOc1ccc(cc1OCC)-c1nnc(o1)-c1cccs1
36848 CCN(C(=O)C1CCCCC1)c1nnc(s1)-c1cccnc1
36849 Nc1ccc(cc1)N1CCCCCC1
36850 Fc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
36851 CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1
36852 O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1ccncc1
36853 CC(C)(C)NC(=O)CSc1ncnc2n(Cc3ccccc3Cl)nnc12
36854 Cc1ccc2OCC(=O)N(CC(=O)Nc3ccc4OCCOc4c3)c2c1
36855 COc1ccc(CCNc2c(C)c(C)nc3ncnn23)cc1
36856 Cc1nc2ncnn2c(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1C
36857 COc1ccc(CNc2cc(C)nc3ncnn23)c(OC)c1
36858 Nc1nnnn1N=C\C(Br)=C\c1ccccc1 |w:6.6|
36859 CC1CCCC(C)N1C(=O)CN1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
36860 Cc1cc(N2CCN(C\C=C\c3ccccc3)CC2)n2ncnc2n1
36861 Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
36862 Cn1nc(CC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2c1=O
36863 O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1
36864 CCCN(C(=O)c1cccs1)c1nnc(s1)-c1ccncc1
36865 CC(C)c1cc(n2nc(cc2n1)C(=O)Nc1ccc2OCOc2c1)C(F)(F)F
36866 COCCN(C(=O)c1ccccc1)c1nnc(s1)-c1cccnc1
36867 CC(C)C(N(Cc1ccco1)Cc1cccs1)c1nnnn1Cc1ccccc1
36868 CCCCn1nnnc1SCC(=O)c1ccc(C)c(C)c1
36869 Cc1ccnc(SCC(=O)Nc2sc3CCCCc3c2C#N)n1
36870 Cn1c(cc2sccc12)C(=O)N1CCCc2ccccc12
36871 CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2cccs2)n1
36872 O=C(CCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1
36873 Clc1cccc(Nc2nc(Cc3nnc(SCC(=O)N4CCc5ccccc45)o3)cs2)c1
36874 Oc1ccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccco2)cc1
36875 CCN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NCc1ccncc1
36876 CCOc1ccc(cc1OCC)-c1nnc(o1)-c1cccnc1
36877 Oc1cc2ccccc2cc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1Cc1ccco1
36878 Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
36879 Fc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F
36880 Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
36881 O=C(C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1)c1ccccc1
36882 Oc1cc(O)c2c(c1)oc(c(-c1ccc3OCCOc3c1)c2=O)C(F)(F)F
36883 CCSc1nc(N2CCOCC2)c2CCCCc2c1C#N
36884 CC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1
36885 Cc1nnc2ccc(Oc3ccc(cc3)-c3ccccc3)nn12
36886 Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccc3OCOc3c2)CC1
36887 Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCCCCC1
36888 C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
36889 [#6]-[#6]\[#6](-[#7]-[#6]-[#6]-[#8]-c1ccc(Cl)cc1)=[#6]-1\[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O
36890 CCN(CC)c1ccc(cc1)-n1c(C)c(C(C)=O)c(C(C)=O)c1C
36891 COc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(O)ccc12
36892 Fc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
36893 COC(=O)c1ccc(OCC(O)Cn2nnc3ccccc23)cc1
36894 O=S1(=O)Nc2c(ccc3cccnc23)-c2ccccc12
36895 O=C(CCN1CCc2ccccc2CC1)c1ccc2OCCOc2c1
36896 Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCSCC1
36897 Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)c1ccccc1
36898 Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)C(=O)c1ccco1
36899 CNC(SCC(=O)c1ccc(Cl)cc1Cl)=NC#N |w:15.16|
36900 Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccc3OCOc3c2)CC1
36901 C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccccc1
36902 CCCCNc1cc(C)nc(NCc2ccccc2)n1
36903 COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
36904 COc1ccc(cc1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1cccc(OC)c1
36905 Cc1ccc2nc(c(C#N)c(N)c2c1)C(F)(F)F
36906 CCN(CC)C(=O)CSC(NC#N)=Nc1ccccc1F |w:13.13|
36907 Cc1cccc(c1)-c1nc(C#N)c(NC2CCCCC2)o1
36908 COc1cc(ccc1O)C#CC#CCN1CCCCC1
36909 null
36910 NC(Nc1ccccc1)=Nc1nc2CCCCc2c(=O)[nH]1 |w:9.10|
36911 COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(O)cc1
36912 COc1ccccc1N=C(N)Nc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1 |w:8.8|
36913 Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1
36914 Clc1ccc(cc1)-c1nc2nc3ccccc3nc2n1Cc1ccco1
36915 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN(C)C)c2c1
36916 CN1CCN(CC1)C(=O)CSc1nc(cc(-c2cccs2)c1C#N)-c1cccs1
36917 CCOC(=O)c1cnc(nc1NC1CCCCC1)-n1nc(C)cc1C
36918 CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1
36919 Clc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
36920 Clc1ccc(CSc2nnc(o2)-c2ccncc2)c(Cl)c1
36921 COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1
36922 [#6]-[#6]\[#6](-[#7]-[#6](-[#6])-c1ccccc1)=[#6]-1/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O
36923 OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
36924 CCC(NCc1ccc2OCOc2c1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:14.30|
36925 Clc1ccc(OCc2nc(C#N)c(o2)N2CCN(CC2)c2ccccc2)c(Cl)c1
36926 Cc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
36927 CC(C)OCCCNc1ncnc2c3ccccc3[nH]c12
36928 CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C
36929 CCCCOc1ncnc2c3cc(F)ccc3[nH]c12
36930 CCN(CC)C(=O)Oc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O
36931 Cc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(Cc4ccc(Cl)cc4)c4ccccc34)c12
36932 O=C(CSc1ncnc2c3ccccc3oc12)N1CCCc2ccccc12
36933 COc1ccc(CCNc2ncnc3c4ccccc4oc23)cc1OC
36934 CC(=O)c1sc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)nc1C
36935 Cc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(Cc2ccccc2)CC1
36936 CNc1oc(nc1C#N)-c1ccc(OCc2ccccc2)cc1
36937 CCOC(=O)C1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
36938 N#Cc1nc(oc1NCc1cccnc1)-c1ccc(OCc2ccccc2)cc1
36939 CN(C)c1oc(nc1C#N)-c1ccc(OCc2ccccc2)cc1
36940 CCCCOc1ncnc2c3ccccc3[nH]c12
36941 OC1(CCN(CC1)c1ncnc2c3cc(F)ccc3[nH]c12)c1cccc(c1)C(F)(F)F
36942 CC(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
36943 CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
36944 CC(Nc1nc(C)nc2c3ccccc3oc12)c1ccccc1
36945 CCN(CC)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
36946 Cc1cc(C)n(n1)-c1nc2ccccc2c(=O)n1OCCOc1ccccc1
36947 COC(=O)CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
36948 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1cccc(F)c1
36949 COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCC(C)=C)cc1O
36950 Clc1ccccc1C1=Nn2c(SC1)nnc2-c1ccncc1 |t:8|
36951 Cc1cc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)n2ncnc2n1
36952 CCOc1ccc(cc1OC)-c1noc(n1)-c1cccnc1
36953 CCOc1ccc(cc1OCC)-c1noc(n1)-c1ccncc1
36954 CCOC(=O)c1ccc(NC(=O)CCc2nc(no2)-c2ccc(Cl)cc2)cc1
36955 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1ccccc1
36956 CCOc1cc(ccc1OC)-c1noc(n1)-c1cccnc1
36957 Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
36958 COc1ccc(N2CCn3c2nc2n(C)c(=O)n(CCCc4ccccc4)c(=O)c32)c(OC)c1
36959 COc1ccc(cc1OC)-c1nc(no1)-c1ccccc1OC
36960 Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(F)cc1
36961 COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1
36962 Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F
36963 CCCC(=O)Nc1ccc2oc(nc2c1)-c1ccc(OC)c(Br)c1
36964 C(Sc1nnc(o1)-c1c[nH]c2ccccc12)c1ccccc1
36965 COc1ccc(cc1)-n1c(C)cc(C(=O)CSc2nnc(o2)-c2cccs2)c1C
36966 Oc1ccc(cc1)N1CCN(CC1)c1ncnc2sc3CCCc3c12
36967 Clc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1
36968 O=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc12
36969 CN(Cc1cccs1)c1ncnc2sccc12
36970 CCOC(=O)C1CCN(CC1)c1ncnc2c3ccccc3oc12
36971 Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(C)n1C |(3.08,2.66,;4.61,2.5,;5.38,1.16,;6.89,1.49,;8.03,.45,;7.71,-1.05,;9.5,.93,;10.64,-.1,;12.11,.38,;12.58,1.84,;14.12,1.84,;14.6,.38,;16.06,-.1,;17.21,.93,;18.67,.45,;18.99,-1.05,;17.85,-2.08,;16.38,-1.61,;13.35,-.53,;13.35,-2.07,;14.69,-2.84,;14.69,-4.38,;13.35,-5.15,;12.02,-4.38,;12.02,-2.84,;10.68,-2.07,;7.05,3.02,;8.38,3.79,;5.64,3.64,;5.32,5.15,)|
36972 CC(C)c1ccc(C)cc1OCc1ccc(cc1)-c1nnco1
36973 Cc1ccc(cc1)-c1csc2ncnc(Sc3nnc(CN4CCCCCC4=O)o3)c12
36974 Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
36975 Cc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C
36976 Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)n1C |(5.32,5.15,;5.64,3.64,;7.05,3.02,;6.89,1.49,;8.03,.45,;7.71,-1.05,;9.5,.93,;10.64,-.1,;12.11,.38,;12.58,1.84,;14.12,1.84,;14.6,.38,;16.06,-.1,;16.38,-1.61,;17.85,-2.08,;18.99,-1.05,;18.67,.45,;17.21,.93,;13.35,-.53,;13.35,-2.07,;14.69,-2.84,;14.69,-4.38,;13.35,-5.15,;12.02,-4.38,;12.02,-2.84,;10.68,-2.07,;5.38,1.16,;4.76,-.24,;4.61,2.5,;3.08,2.66,)|
36977 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc(C)cc1
36978 Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc(C)cc1
36979 Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1Cc1ccc2OCOc2c1
36980 Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc2OCCCOc2c1
36981 CCc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1
36982 COc1cc(ccc1OCc1c(C)noc1C)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
36983 CC(=N)C(C#N)C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
36984 Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1
36985 COC(=O)c1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)oc1C
36986 Cc1cc(C(=O)CSc2nnc(o2)-c2cccs2)c(C)n1-c1ccccc1
36987 Cc1ccc(s1)C(=O)Nc1nc(COc2ccccc2)cs1
36988 Cc1cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c(C)n1C1CC1
36989 Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)n1C
36990 Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(OC(F)F)cc1
36991 COCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C |(3.08,6.38,;4.54,5.9,;4.86,4.4,;6.33,3.92,;6.65,2.41,;5.62,1.27,;4.09,1.43,;6.39,-.06,;7.9,.26,;9.04,-.77,;8.72,-2.28,;10.5,-.3,;11.65,-1.33,;13.11,-.85,;13.59,.61,;15.13,.61,;15.61,-.85,;17.07,-1.33,;17.39,-2.84,;18.86,-3.31,;20,-2.28,;19.68,-.77,;18.21,-.3,;14.36,-1.76,;14.36,-3.3,;15.69,-4.07,;15.69,-5.61,;14.36,-6.38,;13.03,-5.61,;13.03,-4.07,;11.69,-3.3,;8.06,1.79,;9.39,2.56,)|
36992 Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1cccs1
36993 Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C
36994 COc1ccc(cc1OC)-c1nc(no1)-c1ccncc1
36995 CCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C
36996 C(Nc1ncnc2c3ccccc3oc12)c1ccc2OCOc2c1
36997 Cc1cc(c(C)o1)-c1nnc(-c2ccccc2)c(n1)-c1ccccc1
36998 OC(c1nnc(o1)-c1ccccc1)c1cccc(OCc2ccccc2)c1
36999 NC(=O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
37000 [#6]-[#6]-[#7]=c1scc(-c2ccc3-[#8]-[#6]-[#6](=O)-[#7]-c3c2)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |w:2.1|
37001 Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)n1-c1nnc[nH]1
37002 Cc1cc(C(=O)COC(=O)c2csc3CCCCc23)c(C)n1C
37003 CCOc1ccccc1COC(=O)c1cccc(c1)-n1cnnn1
37004 COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C
37005 Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C
37006 Cc1noc(C)c1C(=O)OCc1csc(n1)-c1ccc(C)cc1
37007 Cc1nc2sc(cc2c(=O)n1-n1cccc1)-c1ccccc1
37008 COC(=O)c1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
37009 COc1ccc(cc1)-n1c(C)cc(C(=O)COC(=O)Cn2cnc3ccccc23)c1C
37010 Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1CC=C
37011 COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1
37012 CN1\C(=C\C(=O)c2nc(ncc2Cl)S(C)(=O)=O)C(C)(C)c2ccccc12
37013 COCCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C
37014 O=C(Nc1ccc(cc1)S(=O)(=O)NCc1ccco1)c1ccc2ccccc2n1
37015 CC(C)Cn1c(N)c(C(=O)CSc2ccc3OCCOc3c2)c(=O)n(C)c1=O
37016 CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
37017 Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccc2OCOc2c1
37018 CCCCn1ccnc1C(=O)c1cccc(c1)S(=O)(=O)N1C(C)Cc2ccccc12
37019 Cc1ccc(C)c(c1)-n1nnnc1Sc1nnnn1-c1ccccc1
37020 Cc1cc(C(=O)CSc2nnc(o2)-c2ccco2)c(C)n1-c1ccc2OCCOc2c1
37021 OC(COc1cc(Cl)ccc1Cl)CN1CCN(CC1)S(=O)(=O)c1cccs1
37022 Cn1cccc1C(=O)OCc1cc(Cl)cc2COCOc12
37023 Cc1csc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)n1
37024 CCCn1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
37025 Clc1ccc(OCCN2CCN(CC2)c2ncnc3sccc23)cc1
37026 CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C
37027 CCCc1cc2c(cc1OC)occ(-c1ccccn1)c2=O
37028 Clc1ccc(s1)-c1csc(NC(=O)c2ccncc2)n1
37029 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccncc1
37030 CCOc1ccc(cc1)C(=O)Nc1c(oc2ccccc12)C(N)=O
37031 COc1ccccc1-c1cc(no1)C(=O)Nc1ccccc1SC
37032 Cc1oc(nc1Cn1cccc1C1=NC(CO1)c1ccccc1)-c1ccccc1 |t:14|
37033 Cc1cc(no1)C(=O)Nc1sc(C)c(c1C(N)=O)-c1ccc(F)cc1
37034 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2)c1C
37035 Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)NCc1ccccc1
37036 COc1ccc(NC(=O)c2cc(on2)-c2cccs2)cc1OC
37037 Cn1c(cc2oc3ccccc3c12)C(=O)N1CCc2ccccc2C1
37038 COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
37039 Cc1oc(nc1CSCC(=O)N1CCN(CC1)c1ccccn1)-c1cccc(C)c1
37040 CCOc1ccc(cc1Cl)C(=O)Nc1ccc(Cl)cn1
37041 Cc1ccc(OCCn2cc(C(=N)NO)c3ccccc23)cc1C
37042 O=C(NCc1ccc2OCOc2c1)C1CN(C2CCCCCCC2)C(=O)C1
37043 Clc1ccc(Cn2c(cc3sccc23)C(=O)N2CCC(CC2)C(=O)NCc2ccco2)cc1
37044 c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
37045 Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(on1)-c1ccco1
37046 O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1
37047 CS(=O)(=O)n1nc(OC(=O)c2cccc3ccccc23)cc1N
37048 Cc1nc(C)c(o1)C(=O)Nc1ccc(Oc2ccccc2)cc1
37049 Oc1ccc(cc1Cl)C1NCc2ccccc2-n2cccc12
37050 Cc1ccccc1-c1nnc(SCc2ccccc2F)o1
37051 CC(=O)N1CCCc2cc(ccc12)S(=O)(=O)NCCC1=CCCCC1 |t:21|
37052 CCc1ccc(s1)S(=O)(=O)NCCc1csc(n1)-c1ccccc1
37054 Clc1ccc2oc(SC3=CS(=O)(=O)c4ccccc34)nc2c1 |t:8|
37055 Cc1onc(c1C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1)-c1ccccc1Cl
37056 CCCCOc1ccc(cc1)S(=O)(=O)Nc1cccnc1
37057 CCc1c(C)sc(NC(=O)c2cc(on2)-c2ccco2)c1C#N
37058 CCCC(=O)Nc1ccc(cc1)-c1nc2cc(C)c(C)cc2o1
37059 CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)c(C)c2O)cc1
37060 CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
37061 COc1cccc2sc(Nc3nc(cs3)-c3ccccn3)nc12
37062 CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CC(C)Sc2c1=O
37063 Cn1nc(CC(=O)Nc2ccc3OCCOc3c2)c2ccccc2c1=O
37064 Fc1ccccc1-c1noc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
37065 COc1ccc2-c3onc(C(=O)Nc4ccc(OC)c(OC)c4)c3CCc2c1
37066 O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)NCC1COc2ccccc2O1
37067 O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(on1)-c1ccco1
37068 CCOC(=O)C1C(CC(=CC1=O)c1ccc(OC)cc1)c1ccco1 |c:8|
37069 CC(C)c1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
37070 Cc1nn(c(C)c1Br)S(=O)(=O)c1ccc(C)c(C)c1C
37071 Cc1oc(nc1CSCC(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)-c1cccc(C)c1
37072 CC(C)(CC(=O)N1CCN(CC1)c1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)N1 |t:22|
37073 COC(=O)c1ccc2c(c1)nc(SCC#N)n(C1CCCCC1)c2=O
37074 O=C(Nc1nc(cs1)-c1nc2ccccc2s1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
37075 CCOc1ccc(cc1Cl)C1CC(c2cccc(OC)c2OC)n2nnnc2N1
37076 COc1ccc(cc1OC)-c1cc(no1)C(=O)NC1CCCC1
37077 CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1
37078 COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
37079 Cc1ccc(cc1)C1(O)CS\C(=N/c2cccnc2)N1CC=C
37080 CCOc1ccc(Cc2nc(no2)-c2nonc2N)cc1OCC
37081 FC(F)(F)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1
37082 CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2c1sc1cccc(F)c21
37083 CCc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1
37084 O=C(Nc1ccc(cc1)-c1noc(CCc2ccccc2)n1)c1cccnc1
37085 CCOc1cc(ccc1O)C1NCc2ccccc2-n2cccc12
37086 COc1cccc(c1)-c1cc(no1)C(=O)Nc1ccccc1SC
37087 Cc1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
37088 CC1Cc2nc(SCC(=O)Nc3nc4ccc(C)cc4s3)n(C)c(=O)c2S1
37089 Cc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1C
37090 COc1ccc(cc1)-c1nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2o1
37091 O=C(C1CCC1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccc2OCCOc2c1
37092 CCc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2ccccn2)c(C)o1
37093 CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc12
37094 COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)c2cccnc2)cc1
37095 Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1
37096 [H]C12OC([H])(C=C1)c1c(O)n(c(O)c21)-c1cc(ccc1OCC)C(C)=O |c:5,TLB:11:13:2:6.5,THB:8:7:2:6.5,(12.55,5.25,;12.57,3.71,;11.44,5.22,;12.17,2.22,;12.27,.68,;15,1.05,;15.39,2.54,;9.51,.68,;8.48,-.45,;8.8,-1.96,;7.08,.17,;7.24,1.69,;6.09,2.72,;8.74,2.01,;5.75,-.6,;5.75,-2.14,;4.41,-2.91,;3.08,-2.14,;3.08,-.6,;4.41,.17,;4.41,1.71,;3.08,2.48,;3.08,4.02,;4.41,-4.45,;3.08,-5.22,;5.75,-5.22,)|
37097 COc1ccc2-c3onc(C(=O)NC4CCCCC4)c3CCc2c1
37098 Oc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccccc1C(F)(F)F
37099 FC(F)(F)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
37100 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ncccc2c1
37101 Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(on1)-c1ccco1
37102 Clc1cc(NC(=O)CSc2nc3ccccc3o2)ccc1N1CCOCC1
37103 CCCc1ccc(OCc2nc(no2)-c2ccc(NC(=O)c3ccco3)cc2)cc1
37104 CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1
37105 Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2s1
37106 COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
37107 O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(on1)-c1ccccc1
37108 Brc1ccc(s1)S(=O)(=O)NCc1ccncc1
37109 COc1ccc(cc1Cl)-n1nc2ccc(NS(C)(=O)=O)cc2n1
37110 CCc1ccc2oc(nc2c1)-c1cc(N)cc(C)c1O
37111 COc1ccccc1-n1nnnc1SCc1cc2OCOc2cc1Br
37112 CCC(=O)Nc1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
37113 CCC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)cc1
37114 O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12 |t:3|
37115 CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccncc1
37116 FC(F)Oc1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1Cl
37117 COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C
37118 CC1CCc2nc(NC(=O)CSc3nc4ccccc4o3)sc2C1
37119 Oc1ccc(cc1)-c1nnc(nn1)-c1ccc(O)cc1
37120 COCC(=O)Nc1cccc(c1)C(F)(F)F
37121 Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccccc1
37122 Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
37123 CCOc1ccc(cc1)-c1nc(no1)-c1ccccc1C
37124 Fc1cccc(c1)C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
37125 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CCCOc2cc(C)ccc2C)CC1
37126 COc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC
37127 O=C(CSC1=NCCS1)Nc1ccnc2ccccc12 |t:4|
37128 COc1ccc(cc1OC)-c1nc(no1)-c1cccc(C)c1
37129 CC(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1
37130 Cc1ccc(cc1)C(=O)c1cncc(Br)c1
37131 O=S(=O)(CCSc1ccccn1)c1nc2ccccc2s1
37132 CCc1noc(C)c1C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
37133 CCCC(=O)Nc1ccc(cc1)-c1nc2cc(C)ccc2o1
37134 Cc1occc1C(=O)N1CCN(CC1)c1ccc(Cl)c(Cl)c1
37135 CCOc1nc(C)ccc1-c1noc(n1)-c1ccncc1
37136 Nc1ccc(N2CCOCC2)c(Cl)c1
37137 Cc1nnc(SCC(=O)N2CCC(CC2)c2noc3ccc(F)cc23)s1
37138 CN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(C)c2ncccc12
37139 COc1ccccc1-n1nnnc1S(=O)(=O)Cc1ccc(Cl)cc1
37140 CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl
37141 CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
37142 COc1ccccc1-c1nc(no1)-c1cccc(C)c1
37143 O=S(=O)(Nc1ccc2OCCOc2c1)c1ccc2oc3ccccc3c2c1
37144 Oc1ccc(cc1)-c1cc(no1)C(=O)Nc1c(F)cc(F)cc1Br
37145 CSc1ccc(cc1)S(=O)(=O)Nc1ccc2OCCOc2c1
37146 CCCc1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
37147 CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N
37148 CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC2)c2cc(Cl)ccc2C)cc1
37149 CC(C)Cc1cc(no1)C(=O)Nc1cc(Br)ccc1O
37150 CCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc23)cc1
37151 Cc1oc(nc1CSCC(=O)N1CCN(CC1)c1ccccn1)-c1ccc(C)cc1
37152 CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2OCCOc2c1
37153 CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)c1c(C)noc1C
37154 CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)noc1C
37155 COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccncc2)cc1
37156 CCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc12
37157 Clc1cccc(c1)N1C(N2CCCC2C1=O)c1cccnc1
37158 CCSc1nnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1
37159 Clc1ccc(OCc2nc(no2)-c2ccncc2)c(Br)c1
37160 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCN(CC1)c1ccccc1
37161 Oc1ccc(cc1)-c1cc(no1)C(=O)N1CCc2ccccc2C1
37162 Cc1cc(on1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
37163 Brc1cnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1
37164 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCc2ccccc12
37165 CCOc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2cccc(OC)c2)c(C)o1
37166 CC(C)Cc1cc(no1)C(=O)Nc1c(C)nn(Cc2ccc(Cl)c(Cl)c2)c1C
37167 CCOC(=O)N1CCC(CC1)NC(=O)C1CCCN(Cc2nc(oc2C)-c2cccc(Cl)c2)C1
37168 COc1ccc(cc1OC)-c1noc(n1)-c1cccc(OC)c1OC
37169 CCCn1c(CNc2ccc(Br)cc2)nc2ccccc12
37170 COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
37171 COc1ccc(cc1OC)-c1noc(n1)-c1cc(C)cc(C)c1
37172 Cc1nc2ccccc2c2oc(cc12)C(=O)NCC1COc2ccccc2O1
37173 CCC(C)OC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccc(cc1)N(C)C
37174 COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1cccc(C)c1C
37175 COc1cccc(NC(=O)Nc2nnc(s2)N2CCCCC2C)c1
37176 Cc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1
37177 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCC(=CC1)c1ccccc1 |c:28|
37178 Cc1cc(C)cc(c1)-c1nc(no1)-c1ccncc1
37179 COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
37180 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cccc(C)c1C
37181 CC1CCN(CC1)S(=O)(=O)c1ccc2n(CC(=O)NCc3ccc4OCOc4c3)c(=O)oc2c1
37182 Clc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
37183 CC(C)Oc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
37184 COc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)c(OC)c1
37185 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1
37186 COc1ccccc1OCc1nc(C#N)c(o1)N1CC(C)CC(C)C1
37187 O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(CC1)c1ccccc1
37188 Cc1cccc(N2CCN(CC2)C(=O)C2CCCN(C2)S(=O)(=O)c2cccc3cccnc23)c1C
37189 COc1ccc(cc1OC)-c1nc(no1)-c1ccc(Br)o1
37190 C(Cc1cccs1)Nc1ncnc2sc3CCCc3c12
37191 COc1ccc(Cc2nc(no2)-c2ccc(cc2)-n2cccc2)cc1OC
37192 Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(on1)C1CC1
37193 Cc1csc(NC(=O)C(Cc2ccccc2)n2cccc2)n1
37194 COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1C
37195 CCCc1cc(no1)C(=O)Nc1sc(C)c(CC)c1C#N
37196 CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)n1nc(cc1N)-c1ccc(OC)cc1
37197 CCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
37198 CC(C)N1C(CCC1=O)C(=O)N1CCC(Cc2ccccc2)CC1
37199 CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccccc1
37200 CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1C
37201 CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)c(OC)c(OC)c1
37202 Cc1cccc(NC(=O)Nc2ccc(cc2)C#N)n1
37203 CC1Cc2ccccc2N1c1ncnc2nc[nH]c12
37204 CCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
37205 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1
37206 O=C(CSCC(=O)N1CCCCC1)Nc1nc(cs1)-c1cccs1
37207 Clc1ccc(CCNc2ncnc3nc[nH]c23)cc1
37208 Clc1ccc(s1)C(=O)N1CCN(CC1)c1nc2ccccc2s1
37209 CCOC(=O)c1sc2nc(NC(=O)C3CCCCC3)sc2c1C
37210 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1ccncc1
37211 Oc1c(sc2ncnn12)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccco1
37212 CN(C1CCCCC1)c1ncnc2n(ncc12)-c1cccc(C)c1
37213 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)N1CCCc2ccccc12
37214 CCN(c1ccc(CC)cc1)c1ncnc2nc[nH]c12
37215 CCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1ccc(Cl)cc1
37216 CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccccn1
37217 CCOC(=O)c1sc2nc(NC(=O)C(C)(C)C)sc2c1C
37218 O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2SCCn2c1=O
37219 Cc1nc2ccc3nc(NC(=O)C4COc5ccccc5O4)sc3c2s1
37220 c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccncc1
37221 CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
37222 Fc1ccc(COc2ccc(C=Nn3cnnc3)cc2)cc1 |w:12.12|
37223 CN1c2ccccc2C(C)(C)C11Oc2ccc(O)cc2C=C1 |c:23|
37224 Clc1ccc(OCc2nnc(o2)-c2ccccc2Br)c(Cl)c1
37225 C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1cccnc1
37226 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7,(14.72,4.09,;14.74,2.55,;13.6,4.07,;14.34,1.07,;13.94,-.42,;15.03,-1.51,;17.16,-.1,;17.56,1.38,;11.67,-.47,;10.64,-1.61,;10.96,-3.12,;9.24,-.99,;9.4,.54,;9.19,2.06,;10.9,.86,;7.91,-1.76,;7.91,-3.3,;6.58,-4.07,;5.24,-3.3,;5.24,-1.76,;6.58,-.99,;5.59,.19,;6.11,1.64,;5.12,2.82,;3.61,2.55,;3.08,1.11,;4.07,-.07,)|
37227 C1CN(CCN1c1ccccc1)c1ncnc2c3ccccc3oc12
37228 CCCC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccccc2Br)c(F)c1
37229 CCCCOc1ccc(cc1)S(=O)(=O)n1c(C)nc2ccccc12
37230 Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 |w:5.5|
37231 CC(C)OC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
37232 CC(=O)N1C=CN(C(C1c1cn(C)c2ccccc12)c1cn(C)c2ccccc12)C(C)=O |c:4|
37233 Brc1ccc(cc1)C(=O)Oc1cccc(c1)C(=O)N1CCOCC1
37234 CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc12 |t:1|
37235 Cc1n[nH]c(C)c1CCCCOc1cccc(C)c1
37236 CCn1c(n[nH]c1=S)-c1cccc(Cl)c1
37237 CCCCc1ccc(s1)C1C(C#N)C(=N)SC(=N)C1C#N
37238 CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccccc1 |t:1|
37239 Clc1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
37240 COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)c1cccc(O)c1
37241 COc1ccc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cc1OC
37242 CCc1ccc(cc1)-c1nc(no1)-c1ccncc1
37243 CCCCOc1ccc(cc1)S(=O)(=O)Nc1cc(OC)ccc1OC
37244 CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1 |(3.08,-1.95,;4.62,-1.95,;3.85,-3.28,;4.62,-.41,;5.95,.36,;5.95,1.9,;7.29,-.41,;8.62,.36,;9.95,-.41,;11.29,.36,;11.29,1.9,;12.62,2.67,;13.96,1.9,;15.41,2.37,;16.31,1.13,;15.41,-.11,;13.96,.36,;12.62,-.41,;7.29,-1.95,;8.62,-2.72,;5.95,-2.72,)|
37245 CCc1cc2c(nc(SCC(=O)c3cccs3)n(CC=C)c2=O)s1
37246 CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(Cl)cc1 |t:1|
37247 CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1
37248 CC(C)(C)SCCNS(=O)(=O)c1ccccc1
37249 c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1cccnc1
37250 Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCCC1
37251 Cc1cc(nc(NCc2ccccc2)n1)N1CCOCC1
37252 Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 |w:5.5|
37253 CCc1cc2c(ncnc2s1)N1CCN(CC1)c1ccccc1
37254 Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
37255 Brc1ccc2ncnc(Nc3ccc(cc3)N3CCOCC3)c2c1
37256 Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1
37257 CCOC(=O)\C=C\S(=O)(=O)c1ccc(NC(C)=O)cc1
37258 Nn1c(Nc2ccccc2)nc2sc3CCCc3c2c1=O
37259 CCN(CC)S(=O)(=O)c1cccc(c1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N(CC)CC
37260 CC1CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc12
37261 Cc1ccc(OCc2nc(no2)-c2ccccc2)c(C)c1
37262 CCCOc1ccc(cc1)S(=O)(=O)NCc1ccc(OC)cc1
37263 COC(=O)Cc1sc(=O)[nH]c1Nc1ccccc1
37264 Cc1n[nH]c(C)c1CCCCOc1ccccc1C
37265 O=C(Nc1ccc(cc1)C(=O)OC1CCCCC1)c1ccco1
37266 C(N1CCN(CC1)c1ccccc1)c1ccnc2ccccc12
37267 CCOC(=O)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
37268 COc1ccc(OCCCSc2ncccn2)cc1
37269 CC(C)C(=O)Nc1ccc(cc1)-c1nc2cc(C)c(C)cc2o1
37270 Cc1ccc(cc1)-c1n[nH]c(=S)n1C
37271 CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
37272 COc1ccccc1-c1nc(no1)-c1ccc(Br)cc1
37273 O=C1CC(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N1CCc1ccccc1
37274 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2ccccc2o1
37275 Cc1ccccc1-c1noc(n1)-c1ccc(O)cc1
37276 Cc1n[nH]c(C)c1CCCCOc1cccc(C)c1C
37277 Clc1ccc(NCn2cncn2)nc1
37278 CC(C)c1ccc2oc(nc2c1)-c1cc(N)ccc1O
37279 COc1ccc(CN=O)cc1COc1ccc(NC(C)=O)cc1
37280 COc1ccc(cc1OC)-c1nc(no1)-c1cccc(c1)C(F)(F)F
37281 COc1ccccc1OCCCCCc1c(C)n[nH]c1C
37282 CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
37283 Fc1ccccc1COc1ccc(C=Nn2cnnc2)cc1 |w:14.15|
37284 Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCC1
37285 CC(C)c1ccc2oc(nc2c1)-c1ccc(N)cc1
37286 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
37287 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
37288 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
37289 Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
37290 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
37291 COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
37292 Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
37293 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
37294 Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
37295 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
37296 Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
37297 COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
37298 Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
37299 COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
37300 Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
37301 Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
37302 COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
37303 Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
37304 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
37305 COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
37306 Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
37307 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
37308 Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
37309 C\C(Cl)=C\Cn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCCC1
37310 CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N
37311 c1ccc(cc1)-c1nc2nonc2nc1-c1ccccc1
37312 Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1
37313 COc1ccc(CCn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc23)cc1OC
37314 Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1
37315 CCCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc12
37316 Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(C)c3nc12
37317 OCCN1CCN(CC1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
37318 COCCNc1nc(nc2sc3CCCCc3c12)-n1nc(C)cc1C
37319 Cc1cc(C)n(n1)-c1nc(NCCCO)c2c3CCCCc3sc2n1
37320 CC(O)CNc1nc(nc2sc3CCCCc3c12)-n1nc(C)cc1C
37321 Cc1cc(C)n(n1)-c1nc(NCc2cccnc2)c2c3CC(C)(C)OCc3sc2n1
37322 COc1ccccc1Oc1cc(C#N)c(cc1-n1nnc2ccccc12)C#N
37323 COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc23)cc1
37324 O=C(NC1=NCCS1)c1cc(nn1-c1ccccc1)-c1ccccc1 |t:3|
37325 O=c1n(CSc2nnc(C3COc4ccccc4O3)n2-c2ccccc2)nnc2ccccc12
37326 FC(F)Oc1cccc(c1)C(=O)OCCN1C(=O)c2ccccc2C1=O
37327 CCCn1c2nnc(SCc3c(oc4ccccc34)C(=O)OCC)n2c2ccccc2c1=O
37328 Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
37329 COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1
37330 Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccccc3Br)c2n1
37331 CCCCC(=O)NC(Nc1nc(cs1)C1CC1)(C(=O)OCC)C(F)(F)F
37332 Cc1ccc(cc1C)-n1c(=O)[nH]cc(C(=O)Nc2ccc3OCCOc3c2)c1=O
37333 Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)[nH]n1
37334 CCOC(=O)N1CCN(CC1)C(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
37335 CC(NC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCn2ccnc2)c1=N)c1ccccc1
37336 CCCN(CCC)CCCNC(=O)CC1Nc2ccccc2NC1=O
37337 Cc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
37338 O=C(Oc1ccc(cc1)-c1nnco1)N(c1ccccc1)c1ccccc1
37339 C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1ccncc1
37340 CCCc1cc(no1)C(=O)N(C1CCCCC1)C1CCCCC1
37341 O=C(Cc1cccs1)NCc1cn2ccccc2n1
37342 Cn1c2cn(C3CCCCC3)c(-c3ccccc3)c2c(=O)n(C)c1=O
37343 N#CCSc1nnc(-c2ccccc2)c(n1)-c1ccccc1
37344 Cc1nc(cc(n1)-c1ccccc1)N1CCCC1
37345 CCOC(=O)C1C(C2=C(CCCC2=O)OC1=N)c1ccccc1OCC |t:7|
37346 Cc1onc(c1C(=O)N1CCc2ccccc12)-c1c(Cl)cccc1Cl |(10.17,-3.3,;10.33,-1.77,;11.67,-1,;11.35,.51,;9.82,.67,;9.19,-.73,;7.68,-1.05,;6.65,.1,;7.2,-2.51,;8.1,-3.75,;7.2,-4.99,;5.75,-4.52,;4.41,-5.29,;3.08,-4.52,;3.08,-2.98,;4.41,-2.21,;5.75,-2.98,;9.82,2.21,;8.49,2.99,;7.15,2.22,;8.49,4.53,;9.83,5.29,;11.16,4.52,;11.16,2.98,;12.49,2.21,)|
37347 C1CN(CCO1)c1nnc(-c2ccccc2)c(n1)-c1ccccc1
37348 C(C(c1ccccc1)c1ccccc1)c1nc(no1)-c1ccccn1
37349 Cc1ccc(cc1)C(N(Cc1ccco1)Cc1cccs1)c1nnnn1C(C)(C)C
37350 [H]C12CCCC([H])(CC(C1)NC(=O)C(C)(C)C)N2C(=O)Nc1ccccc1CC
37351 COc1ccc(OC)c(c1)C1C(C(C)=O)C(=O)C(=O)N1CCC(O)=O
37352 CCOC(=O)C1CCN(CC1)C(=O)c1ccco1
37353 CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1
37354 Fc1ccc(cc1)N1CCN(CC1)c1ccccc1NC(=O)c1ccccc1
37355 CC1(C)CC(=O)C=C(C1)Nc1ccc(cc1)C(O)=O |c:6|
37356 O=C(CSc1nnc([nH]1)-c1ccncc1)c1ccccc1
37357 COc1cccc(CN(Cc2ccco2)C(c2nnnn2C(C)(C)C)c2ccc(F)cc2)c1
37358 COC(=O)C1C(c2ccccc2OC)c2ccc(cc2OC1=N)N(C)C
37359 COc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1
37360 Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)no1
37361 COc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
37362 Cc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccc(Cl)c(Cl)c2)no1
37363 [H]C12CCC([H])(C=C(C1)N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1)N2C |c:6|
37364 CC(C)CC(OC(=O)CN1C(=O)COc2ccc(C)cc12)C(=O)NC1CCCC1
37365 CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccco3)sc2=C(C1c1ccco1)C(=O)OC |w:12.12,c:5,21|
37366 COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O
37367 CCCC(N1CCN(CC1)c1cc(Cl)ccc1C)c1nnnn1Cc1ccco1
37368 Fc1ccccc1CNC(=O)C1CCN(CC1)C(=O)NCc1ccccc1
37369 FC(F)(F)c1cccc(c1)-c1nnc2ccc(cn12)C(F)(F)F
37370 Cc1ccc(cc1)S(=O)(=O)N1CC(NO)=C1 |c:15|
37371 CCCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1
37372 COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1
37373 CCOC(=O)C(C)n1c(cc2sc(C)cc12)C(=O)OCC
37374 N#Cc1c2CCCCCc2sc1N=Cc1cccs1 |w:12.13|
37375 CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21
37376 [#6]-[#6]-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-[#6]-[#6])=[#7]\c1nc2ccccc2s1
37377 Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1
37378 COc1cc(cc(OC)c1OC)C1N(C(=O)c2oc3ccc(C)cc3c(=O)c12)c1cc(C)ccn1
37379 COc1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccccc2)cc1
37380 Brc1ccc2oc3C(=O)N(Cc4ccco4)C(c3c(=O)c2c1)c1cccnc1
37381 COC(=O)C1C(c2ccc(Cl)cc2)c2c(OC1=N)cc(C)n(C)c2=O
37382 CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
37383 CCN(CC(=O)NC1CCS(=O)(=O)C1)c1nc(nc2ccccc12)-c1ccccc1
37384 O=C(Nc1nc(cs1)-c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
37385 CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
37386 O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
37387 Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc2c1=O
37388 CC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N
37389 CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)COc1ccc(cc1)S(=O)(=O)N1CCOCC1
37390 OC(COC1CCCc2ccccc12)CN1CCN(CC1)S(=O)(=O)c1cccs1
37391 Brc1ccc(cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
37392 COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1
37393 O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1
37394 Cc1ccc(C)c(c1)C(=O)CN1C(=O)CCC1=O
37395 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccco1)=[#6](\C#N)-c1nc2ccccc2s1 |t:1,4|
37396 COC(=O)C1CCN(CC1)C(=O)COc1cc2sc(C)nc2c2sccc12
37397 CC(C)(C)c1ccc(cc1)C(=O)NCc1cccnc1
37398 COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cccc(SC)c1
37399 CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(C)ccc1OC
37400 CNC(=O)Nc1cc(no1)C(C)(C)C
37401 CC1CCCCN1CCNC(=O)CCn1nc(ccc1=O)-c1ccccc1
37402 CC(C)(C)C1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1
37403 COc1ccc(cc1)S(=O)(=O)NC(CC(=O)NCCc1ccc(OC)c(OC)c1)c1ccco1
37404 Cc1sc(NC(=O)c2ccco2)c(CN2CCN(CC2)c2ccccn2)c1C
37405 Brc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2n[nH]cc2c1=O |(8.33,6.96,;6.99,6.19,;5.66,6.96,;4.33,6.19,;4.33,4.65,;5.66,3.88,;6.99,4.65,;8.33,3.88,;8.33,2.34,;6.99,1.57,;6.99,.03,;5.66,-.74,;4.33,.03,;5.66,-2.28,;4.33,-3.05,;4.33,-4.59,;3.08,-5.5,;3.56,-6.96,;5.1,-6.96,;5.57,-5.5,;9.66,1.57,;10.99,2.34,;12.45,1.87,;13.35,3.11,;12.45,4.35,;10.99,3.88,;9.66,4.65,;9.66,6.19,)|
37406 CCOC(=O)c1nnn(c1COc1cc(C)c(Cl)c(C)c1)-c1nonc1N
37407 CC(NC(C)=O)C(N1CCN(CC1)c1ccccc1)c1cccs1
37408 Cc1ccccc1Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O
37409 Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2)cc1
37410 COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NC1CCCCC1 |t:13|
37411 CCOc1cccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc12
37412 CCOC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
37413 COc1ccc2-c3onc(C(=O)NCc4cccnc4)c3CCc2c1
37414 O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCC1
37415 CCn1c(N)c(sc1=S)C(=O)NCc1cccnc1
37416 Cn1cc(C=Nn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc12 |w:5.5|
37417 O=C(CC1Nc2ccccc2NC1=O)NCc1cccnc1
37418 Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl
37419 Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)NCc1ccco1
37420 CC(=O)C1C(c2ccc(Cl)cc2)n2ncnc2N=C1C |c:19|
37421 OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
37422 Nc1nc(cs1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
37423 O=c1n(CCCN2CCN(CC2)C2CCCCC2)c(=S)[nH]c2ccccc12
37424 Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1
37425 O=C(Nn1cnnc1)c1ccccc1CCc1ccccc1
37426 NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
37427 CCOC(=O)C1CCCN(C1)C(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
37428 Cn1c(nc2ccccc12)-c1ccc(s1)C(=O)c1ccccc1
37429 CCOc1cc(C)c(cc1S(=O)(=O)NCc1ccccn1)C(C)C
37430 Cc1cccc(c1)-n1ncc2c(ncnc12)N1CCc2ccccc12
37431 COc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
37432 CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(cn1-c1ccccc1)C#N
37433 O=C(CCC1CCCCC1)NCc1ccncc1
37434 [H]C12CCC([H])(C1)C(C2)n1nnnc1SCC(=O)Nc1ccnc2ccccc12 |TLB:9:7:6:3.2|
37435 CNc1nc(OC)nc(n1)N1CCOCC1
37436 COc1ccc(cc1NC(=O)Nc1ccc2OCOc2c1)C(C)(C)C
37437 CC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
37438 CCCn1c(NCc2cccc(CC=C)c2O)nc2ccccc12
37439 Clc1ccc(cc1)C1C(C#N)C(=N)Oc2cc3OCOc3cc12
37440 O=C(Cc1cccs1)Nc1ccon1
37441 COc1ccc(cc1OC)S(=O)(=O)Nc1cc(C)ccn1
37442 O=C(Cc1cccs1)Nc1cccc(c1)C(=O)Nc1ccco1
37443 CN(C)c1nc(N)nc(n1)-c1nc2ccccc2s1
37444 CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1
37445 CCC(CC)C(=O)Nc1cccc(c1)-c1nc2ccccc2o1
37446 CC(C)(C)c1cc(nc(SCCCNC(=O)c2ccco2)n1)C(F)(F)F
37447 CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1
37448 CCOC(=O)c1c(C)nc2ccccn12
37449 CC(Nc1ccc(Br)cn1)c1cc(Cl)ccc1O
37450 COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
37451 Cc1cc(NC(=O)c2cc(nc3c(C)cc(C)cc23)-c2ccccn2)no1
37452 COc1cccc(c1)-n1c(O)c(CC(=O)Nc2ccc(F)cc2)n(C2CCCCC2)c1=O
37453 CCCc1cc(=O)[nH]c(Nc2ccc(OC)c(Cl)c2)n1
37454 O=C(Oc1cccc2cccnc12)c1ccc2OCCOc2c1
37455 O=S(=O)(Cc1ccccc1)NCc1ccccn1
37456 FC(F)(F)c1cc([nH]c(=O)c1C#N)C1CC1
37457 CN(C)c1nc(C)nc2n(C)c(=S)sc12
37458 Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
37459 CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1 |t:2|
37460 CN1CCN(CC(=O)Nc2c(C)cc(C)cc2C)CC1
37461 CC(C)OCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
37462 Fc1cccc(c1)C1N2CCCC2C(=O)N1c1cccc(Cl)c1
37463 OCCN1CCN(CC1)c1ncnc2ccc(Br)cc12
37464 COc1ccc(OC)c(NC(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)c2c(C)noc2C)c1
37465 CN(C1CCCCC1)c1nnc(N)s1
37466 Cc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1
37467 Fc1ccc(Cc2nnc(o2)C(=O)NCc2ccc3OCOc3c2)cc1
37468 CCC(C)NC(=O)CS(=O)(=O)Cc1nc(oc1C)-c1cccc(OC)c1
37469 CCOC(=O)c1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:15|
37470 O=C(N1CCN(CC1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1
37471 CC1Cc2ccccc2N1C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
37472 O=C(NCc1cccnc1)NC1(CC1)c1ccccc1
37473 Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)Nc1ccccc1F
37474 COc1ccc(cc1C)S(=O)(=O)N1CCN(C)CC1
37475 CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1 |t:8|
37476 OC(CN1C2=NCCCN2c2ccccc12)c1ccc(Cl)cc1 |t:4|
37477 CCOc1ccc(cc1OC)C1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O
37478 CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
37479 CCn1cc(C(=O)N2CCn3c(C2)nc2ccccc32)c(=O)c2ccc(C)nc12
37480 CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1
37481 CCCCN(C)C(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N(C)C
37482 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1
37483 COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(OC)c1OC |c:12|
37484 O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CN(C2CCCC2)C(=O)C1
37485 CC1Cc2ccccc2N1C(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCC1
37486 CCCCCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCc1ccccc1
37487 COC(=O)NCC(N1CCN(CC1)c1ccccc1F)c1cccnc1
37488 Cc1cc(C)n(n1)C(=O)c1ccc(NC(=O)C2CC2)cc1
37489 CC(C)c1nnc(NC(=O)C2CCCCC2)s1
37490 CCCCSC1=C(C#N)C(CC(=O)N1)c1ccccc1C |c:5|
37491 CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C
37492 Cc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1
37493 CCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1ccc(F)cc1
37494 CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
37495 CCOC(=O)c1sc2nc(NC(=O)c3cccs3)sc2c1C
37496 COc1cccc(c1)-n1c(SCC(=O)N2CCOCC2)nnc1-c1c[nH]c2ccccc12
37497 Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(c2)C(F)(F)F)s1
37498 CCOc1ccccc1Nc1ncnc2n(ncc12)-c1ccccc1
37499 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC
37500 CCN1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
37501 CN(C)c1ccc(cc1)C(=O)Nc1nc2CCCCc2s1
37502 CN1C(=O)c2cccc(NC(=O)CCc3ccccc3)c2C1=O
37503 [#6]\[#6](-[#6])=[#6]\[#6]1-[#6](-[#6](=O)-[#7]-c2ccc(Br)cn2)C1([#6])[#6]
37504 NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCCCc12
37505 Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1
37506 COC(=O)C1CCc2sc(NC(=O)c3ccco3)c(C(=O)OC)c12
37507 COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3CCCc23)c(OC)c1
37508 Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O
37509 COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12
37510 Cc1ccc2nc(cc(O)c2c1)-c1ccccc1
37511 O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccco1
37512 OC(=O)CSCCc1ccccn1
37513 Cc1ccc(C)n1-n1c(C)nc2sc(cc2c1=O)-c1ccccc1 |(6.5,2.82,;5.36,1.79,;3.85,2.11,;3.08,.78,;4.11,-.37,;3.79,-1.87,;5.52,.26,;6.85,-.51,;6.85,-2.05,;5.52,-2.82,;8.18,-2.82,;9.52,-2.05,;10.98,-2.52,;11.87,-1.28,;10.98,-.04,;9.52,-.51,;8.18,.26,;8.18,1.8,;13.41,-1.28,;14.18,-2.61,;15.72,-2.61,;16.49,-1.28,;15.72,.05,;14.18,.05,)|
37514 CC(C)CC(=O)Nc1ccc(cc1)-c1nc2cc(C)ccc2o1
37515 CCOc1ccc(cc1)S(=O)(=O)N1CCN(C(C)C1)S(=O)(=O)c1ccc(OCC)cc1
37516 COc1ccc2n(cc(CCN3C(=O)c4ccccc4C3=O)c2c1)C(=O)c1ccco1
37517 COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c(OC)c1
37518 CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)c1csnn1
37519 CC(C)CCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(CN2CCCCC2)o1
37520 COc1ccc(cc1)-c1nnc(SCC#N)o1
37521 Cn1c(SCC(=O)Nc2ccccc2N2CCOCC2)ncc1-c1ccc(F)cc1
37522 OC(=O)CCn1[nH]c(=O)ccc1=O
37523 CC(CC(O)=O)n1nc(C)nc1C
37524 COc1ccc(OC)c(c1)C(=O)CSc1nnc(o1)-c1ccc(OC)c(OC)c1
37525 Cn1c2ccc(NC(=O)C(F)(F)F)cc2n(C)c1=O
37526 CCCCc1nccn1CCn1ccnc1CCCC
37527 COc1ccc(CCNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC
37528 CC1CC(O)(CC(C)N1C)C#C
37529 O=C(Nc1ncnc2sc3CCCCCc3c12)c1ccco1
37530 Cc1cc(NC(=O)c2ccc(Cl)cc2)no1
37531 Cc1nc(NC2=NCN(CC3CCCO3)CN2)nc2ccccc12 |t:5|
37532 Cc1ccccc1OCC(O)CN
37533 CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
37534 CN(C)[C@@H]1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
37535 CN(C)[C@H]1[C@@H]2CC3C(C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
37536 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
37537 OCCNC1=NCCN1 |t:4|
37538 CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1cccnc1 |c:10|
37539 Cn1c2nc(NCc3ccc4OCOc4c3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
37540 COC(=O)c1c(N)nc(C)n1-c1ccc(OC)cc1
37541 COc1ccccc1-n1c2nnc(SC(C)C)n2c2sc3CCCc3c2c1=O |(11.41,3.02,;10.07,2.25,;8.74,3.02,;8.74,4.57,;7.4,5.34,;6.06,4.57,;6.06,3.02,;7.4,2.25,;7.4,.7,;8.74,-.07,;10.2,.4,;11.1,-.84,;10.2,-2.08,;10.68,-3.55,;12.19,-3.87,;12.67,-5.34,;13.22,-2.72,;8.74,-1.61,;7.4,-2.38,;7.07,-3.89,;5.55,-4.05,;4.41,-5.06,;3.09,-4.3,;3.4,-2.81,;4.92,-2.64,;6.06,-1.61,;6.06,-.07,;4.72,.7,)|
37542 Cc1cc(N2CCN(CC2)C2CCCC2)n2c(nc3ccccc23)c1C#N
37543 CSc1ccccc1NC(=O)c1c(Br)cnn1C
37544 CCOC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C
37545 COc1cccc(C=Nn2c(C)nc3ccccc23)c1OC |w:8.8|
37546 COc1ccc(cc1OC)-c1nc(C#N)c(o1)N1CCOCC1
37547 COc1ccc(NC(=O)CCc2nc(no2)-c2ccccc2F)cc1
37548 COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC
37549 Cc1ccccc1N=C1NCCCS1 |w:7.7|
37550 COc1ccc(OC)c(c1)-n1c(SCC(C)=C)nnc1-c1cccc(c1)S(=O)(=O)N(C)C |(12.21,-4.26,;12.21,-2.72,;10.88,-1.95,;9.54,-2.72,;8.21,-1.95,;8.21,-.41,;6.88,.36,;5.54,-.41,;9.54,.36,;10.88,-.41,;9.54,1.9,;8.3,2.8,;6.83,2.32,;5.69,3.35,;4.22,2.88,;3.08,3.91,;3.9,1.37,;8.77,4.26,;10.31,4.26,;10.79,2.8,;12.25,2.32,;13.4,3.35,;14.86,2.88,;15.18,1.37,;14.04,.34,;12.57,.82,;14.36,-1.16,;15.87,-.84,;12.85,-1.48,;14.68,-2.67,;16.14,-3.15,;13.54,-3.7,)|
37551 COc1ccc(CCNC(=O)C2=COCCO2)cc1 |t:11|
37552 COc1ccc(Cc2nnc3SCC(=Nn23)c2cc3ccccc3o2)cc1OC |c:13|
37553 Cc1ccc(O)c(c1)C(=O)c1cc(C#N)c(=O)n(CC2CCCO2)c1
37554 Fc1ccc(Nc2ccccc2C(=O)NCc2ccco2)cc1
37555 CCOC(=O)c1sc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1C
37556 O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(CC1)C(=O)c1ccco1
37557 CCn1c(cc2sccc12)C(=O)N1CCCC(C1)C(=O)NCCCc1ccccc1
37558 Fc1ccc(cc1)N1CCN(CCC(=O)Nc2ccccc2F)CC1
37559 CN(C)C(=O)N1CCC(CC1)C(=O)NC1CCCCCCC1
37560 COc1ccc(CCNC(=O)c2ccc(cc2)N2CCCC2=O)cc1OC
37561 Nc1cc(ccc1O)-c1ccccc1
37562 Nc1nonc1NC(=O)CSc1nc2ccccc2s1
37563 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCOC)\c1=N\C(=O)C(C)(C)C
37564 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(OC)cc1)c2=O
37565 Cc1ccccc1-n1c(=O)cc(NCc2ccc3OCOc3c2)[nH]c1=O |(7.08,3.85,;5.75,3.08,;4.41,3.85,;3.08,3.08,;3.08,1.54,;4.41,.77,;5.75,1.54,;7.08,.77,;8.41,1.54,;8.41,3.08,;9.75,.77,;9.75,-.77,;11.08,-1.54,;12.42,-.77,;13.75,-1.54,;13.75,-3.08,;15.08,-3.85,;16.42,-3.08,;17.87,-3.55,;18.77,-2.31,;17.87,-1.07,;16.42,-1.54,;15.08,-.77,;8.41,-1.54,;7.08,-.77,;5.75,-1.54,)|
37566 CCn1ncc(C2=NOC(C2)C(=O)NCc2ccccc2)c1C |t:6|
37567 Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCCCC1)C(=O)NCc1cccnc1
37568 CCCCNC(=O)CSc1nc2ccc(cc2c(=O)n1CCc1ccccc1)N1CCOCC1
37569 CCOC(=O)C1C(N=C(SC(C)=O)N=C1C)c1ccc(OC(C)=O)c(OC)c1 |c:13,t:7|
37570 Fc1cccc(Cl)c1C(=O)NCc1nnc(SCC(=O)c2ccccc2)o1
37571 O=C(CC1NC(=O)NC1=O)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCC1
37572 COCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
37573 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccc(=O)[nH]c1
37574 Cc1ncoc1C(=O)Nc1cccc(Cl)c1C
37575 ON(C(=O)Nc1ccccc1)c1ccc(Cl)cc1
37576 Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccc(O)cc1
37577 Cc1cc(C)c(OCC(=O)Nc2cccc(O)c2)cc1C
37578 CS(=O)(=O)N(CC(=O)NCCSCc1cccc(Cl)c1)c1ccc2OCOc2c1
37579 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
37580 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ncccn1
37581 CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
37582 Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5OCOc5c4)CC3)n2)cc1
37583 COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O
37584 Clc1ccc(Cn2cc(NC(=O)c3noc4CCCCc34)cn2)c(Cl)c1
37585 CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C |t:10|
37586 O=C(NC1CCCc2ccccc12)c1ccc(CNc2c(N3CCOCC3)c(=O)c2=O)cc1
37587 Fc1cc(F)c(NC(=O)c2cc(on2)C2CC2)c(Br)c1
37588 COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
37589 O=C(CC1Oc2ccccc2NC1=O)N1CCCC1
37590 Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1-c1ccc(F)cc1
37591 Cn1c2ccc(cc2oc1=O)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
37592 O=c1oc2c3CCCN4CCCc(cc2cc1-c1nc2ccccc2[nH]1)c34
37593 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-[#6]-[#6]-[#8])-[#6](=O)-[#6]1
37594 CCOC(=O)c1sc2ncn(N=CN(C)C)c(=O)c2c1C |w:11.10|
37595 COc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCN(C)C
37596 CC(OC1=CC(=O)CCC1)C(=O)c1ccccc1 |t:3|
37597 Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
37598 O=C(C1COc2ccccc2O1)N1CCCC1
37599 CCOc1cc(cc(OCC)c1OCC)C(=O)N1CCN(CC1)c1ccccc1
37600 CC(C)(NC(=O)N1CCCC1)c1cccc(c1)C(C)(C)NC(=O)N1CCCC1
37601 CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
37602 CC1(C)Cc2ccccc2C(=N)C1C#N
37603 CCN1C(=O)\C(=C2/SC(=S)N(CCCOC)C2=O)c2ccccc12
37604 CCc1nnc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2CC)s1
37605 CCc1ccccc1NC(=O)C(Cc1cccnc1)C#N
37606 O=C(C1C(N(CC2CCCO2)C(=O)C1=O)c1cccnc1)c1ccco1
37607 O=C(C1C(N(CCc2ccccc2)C(=O)C1=O)c1cccnc1)c1ccco1
37608 COc1cc(ccc1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCc1ccccc1
37609 COc1ccccc1NC(=O)CSc1nnc(Cn2nnc(n2)-c2ccccc2)n1-c1ccccc1
37610 CCOc1cc(ccc1O)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCc1ccccc1
37611 C=CCOc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCN1CCOCC1
37612 Clc1ccc(cc1)-c1c[nH]n2c1nc1CCCCc1c2=O
37613 COc1ccccc1C1C(C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)C
37614 Cc1ccc(C)c(c1)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1ccncc1
37615 CCc1c(C)nc2c(C#N)c(C)[nH]n2c1=O
37616 COc1cc(ccc1O)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1cccnc1
37617 COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCc1ccccc1
37618 CN(C)CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
37619 CCOc1cccc(c1)C(=O)C1C(N(CCOC)C(=O)C1=O)c1ccc(C)o1
37620 CC(O)CN1C(C(C(=O)c2ccc(C)cc2)C(=O)C1=O)c1ccc(cc1)N(C)C
37621 Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1ccc(Cl)cc1
37622 CC1Oc2ccccc2N(Cc2ccccc2Cl)C1=O
37623 CCOc1cc(ccc1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCc1ccccc1
37624 CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
37625 CCOc1cccc(c1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1ccncc1
37626 COc1cc(ccc1O)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCc1ccccc1
37627 O=C(C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1)c1ccco1
37628 O=C(C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccncc1)c1ccco1
37629 COCCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc2OCOc2c1
37630 COc1ccc(CCN2C(C(C(=O)c3ccco3)C(=O)C2=O)c2cccs2)cc1OC
37631 CN(C)c1nc(nc(n1)N(C)C)N(C)C
37632 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C([O-])=O
37633 N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O
37634 CC1(C)S[C@@H]2[C@H](NC(=O)C(C([O-])=O)c3ccccc3)C(=O)N2[C@H]1C([O-])=O
37635 [O-][N+]([O-])=O.[H][C@]12CC(C[C@]([H])([C@H]3O[C@@H]13)[N+]2(C)C)OC(=O)[C@H](CO)c1ccccc1 |TLB:12:13:14:8.6.7,THB:12:11:14:8.6.7|
37636 CCN(CCCc1ccccc1)CCCc1ccccc1
37637 CCOC(=O)c1c(C)[nH]c(C=Nc2ccccc2)c1O |w:11.11|
37638 CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C |(15.5,-3.4,;14.73,-2.07,;13.19,-2.07,;12.42,-3.4,;12.42,-.73,;10.88,-.73,;9.98,-1.97,;10.46,-3.44,;10.93,-4.9,;8.52,-1.5,;7.19,-2.27,;5.85,-1.5,;4.48,-2.33,;3.08,-1.53,;3.08,.07,;4.48,.86,;5.85,.04,;7.19,.81,;8.52,.04,;9.98,.51,;10.46,1.97,;9.43,3.12,;9.91,4.58,;11.41,4.9,;12.44,3.75,;11.96,2.29,;12.99,1.14,)|
37639 CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc12
37640 CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc12
37641 CCC(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F
37642 OC(=O)C1CC=CCC1C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1 |c:5|
37643 COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1Cc1ccco1
37644 COc1ccc(OC)c(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCCN1CCOCC1
37645 COC(=O)c1ccc(cc1)C1C(C(=O)c2ccc(OC)cc2)C(=O)C(=O)N1Cc1ccco1
37646 Cc1ccc(o1)C1C(C(=O)c2cnn(c2C)-c2ccccc2)C(=O)C(=O)N1CCN1CCOCC1
37647 Cc1nc(C)c(s1)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1ccc(Cl)cc1
37648 CC(C)OC(=O)C1=C(C)OC(=N)C(C#N)[C@@]11C(=O)N(CC(N)=O)c2ccccc12 |c:6|
37649 COCCCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(Br)cc1
37650 COc1ccc(OC)c(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
37651 Cc1cc(no1)N1C(C(C(=O)c2ccc(F)cc2)C(=O)C1=O)c1cccc(Br)c1
37652 O=C(C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1ccccn1)c1cc2ccccc2o1
37653 COc1cccc(C2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC
37654 COc1cccc(c1)C1C(C(=O)c2ccc(OC)c(OC)c2)C(=O)C(=O)N1c1cc(C)on1
37655 Cc1cc(no1)N1C(C(C(=O)c2ccc(C)cc2)C(=O)C1=O)c1cccc(Br)c1
37656 CCCOc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCCn1ccnc1
37657 Cc1c(C)c(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12
37658 COCc1cc(ccc1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCOCCO
37659 COc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1nc(C)c(C)s1)c1ccco1
37660 CCOc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1nc(C)c(C)s1)c1ccco1
37661 COc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c2ccccc2OC)cc1
37662 OCCOCCN1C(C(C(=O)c2cccs2)C(=O)C1=O)c1cccs1
37663 COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN3CCOCC3)C(=O)C2=O)c2cccnc2)c1C
37664 COCCCN1C(=O)C(=O)C(C(=O)c2ccc3OCCOc3c2)C11C(=O)N(CC=C)c2ccccc12
37665 CC(C)Oc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCn1ccnc1
37666 Cc1ccc(o1)C1C(C(=O)c2sc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1
37667 COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN3CCOCC3)C(=O)C2=O)c2cccs2)c1C
37668 COc1ccc(cc1OC)-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
37669 CC1Cc2cc(ccc2O1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccccc1F
37670 COc1cc(ccc1O)C1C(C(=O)c2ccc3OC(C)Cc3c2)C(=O)C(=O)N1CCCn1ccnc1
37671 COc1cc(cc(Br)c1O)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1
37672 Cc1cc(no1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccnc1
37673 CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
37674 COCCCN1C(C(C(=O)c2ccc(OC)cc2C)C(=O)C1=O)c1cccnc1
37675 Cc1[nH]n2c(nc(-c3ccccc3)c(C#N)c2=O)c1-c1ccccc1
37676 Clc1ccc(Cc2nn3c(nnc3s2)-c2ccncc2)cc1
37677 COc1ccc(OC)c(c1)C(=O)c1nc2CCCCCc2n1O
37678 O=S(=O)(Nc1cccc2ncccc12)c1cccs1
37679 C=CCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12
37680 O=C(Cn1c2ccccc2oc1=O)N1CCN(CC1)c1ccccc1
37681 Cc1nn(c(C)c1Oc1ccccc1O)-c1nc2ccccc2s1
37682 CCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCCCC1
37683 CC1=NC(C)=C(C#N)C(C1C#N)c1ccc2ncccc2c1 |t:1,4|
37684 COCCCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccccc1
37685 COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC(C)O)c(OC)c1
37686 COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(Cc2ccccc2)CC1)C(F)(F)F
37687 COc1ccc(cc1NC(=O)C1CCCC1)-c1cn2cccnc2n1
37688 CC(C)OC(=O)c1nnn(c1CN1CCc2ccccc2C1)-c1nonc1N
37689 Nc1nc(CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccccc2)nc(n1)N1CCOCC1
37690 COc1ccc(cc1NC(=O)C1CC1)-c1cn2cccnc2n1
37691 COC(=O)C1O[N+]([O-])=C(C1c1c[nH]c2ccccc12)C(=O)OC |c:7|
37692 Nc1ccc(Nc2ccccc2N)cc1
37693 Fc1ccc(cc1)-n1ncc2c1ncn(CC(=O)OCc1ccccc1)c2=O
37694 COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1
37695 CCCS(=O)(=O)N1CCCC(C1)C(=O)N1CCC(Cc2ccccc2)CC1
37696 CN1CCN(CCCNC(=O)Nc2cccc3ccccc23)CC1
37697 CCC(Sc1nc2CCCc2c(=O)[nH]1)C(=O)Nc1cccc(OC)c1
37698 CCC(CCC(=O)Nc1cccc(c1)C(O)=O)C(O)=O
37699 O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
37700 Fc1ccc(Cn2c(=O)cc([nH]c2=O)N2CCc3ccccc23)cc1
37701 COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
37702 Fc1ccc(cc1)N1CCN(CCCNC(=O)c2cccc(c2)N2CCCC2=O)CC1
37703 COc1ccc(cc1)-c1nc([nH]c(=O)c1C#N)N1CCCC1
37704 O=S(=O)(N1CCc2ccccc12)c1c[nH]cn1
37705 COc1ccccc1C1C(C(=O)c2ccccc2)C(=O)C(=O)N1CCO
37706 CCOC(=O)N1CCC(CC1)NC(=O)c1cc(ccc1CO)C(=O)Nc1ccc(OC)c(OC)c1
37707 CCN(CC)c1ccc(C=NC(C#N)C(=N)C#N)cc1 |w:10.10|
37708 CC1CCN(CC1)c1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
37709 CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)s1
37710 COc1ccccc1C1C(C(=O)c2ccccc2)C(=O)C(=O)N1CC(C)O
37711 COc1ccc(cc1OC)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
37712 OC(=O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3-c4ccccc4C(=O)c1c23
37713 Cc1ccc(C)c(c1)-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1CCc2ccccc12 |(7.19,4.55,;8.73,4.54,;9.5,5.88,;11.04,5.87,;11.81,4.54,;13.35,4.54,;11.04,3.21,;9.5,3.21,;11.8,1.87,;13.34,1.71,;14.37,2.85,;15.87,2.53,;16.91,3.67,;16.43,5.14,;18.41,3.35,;19.04,1.94,;20.57,2.1,;20.89,3.6,;19.56,4.38,;13.65,.2,;12.32,-.57,;11.18,.47,;9.67,.15,;9.19,-1.32,;7.68,-1.63,;6.65,-.49,;7.2,-3.1,;8.1,-4.34,;7.2,-5.58,;5.75,-5.11,;4.41,-5.88,;3.08,-5.11,;3.08,-3.57,;4.41,-2.8,;5.75,-3.57,)|
37714 CCOC(=O)c1ccc(NC(=O)Nc2ccc3N(CC)C(=O)c4cccc2c34)cc1
37715 [H]C12CC(C)(NC(=O)C1C(=O)Nc1ccc(OC)cc1)Oc1ccccc21 |THB:9:8:2:20.26.21,25:26:2:5.8.6|
37716 CSCCC1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
37717 CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
37718 COc1ccc(NC(=O)C(N(C)C(=O)c2cnccn2)c2ccc(C)cc2)cc1
37719 CCOc1cc(cc(OCC)c1OCC)C(=O)NCc1nnc(SCC(=O)OC)n1C
37720 CCOC(=O)CCn1nc(cc1N)-c1ccc(Cl)cc1
37721 CNc1nn(nc1N)-c1cccc(Cl)c1
37722 Cc1csc(NC(=O)CCn2c3ccccc3oc2=O)n1
37723 O=C(NCc1cccnc1)C1N(C2CCCCCC2)C(=O)c2ccccc12
37724 CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(C)C1=O |t:13|
37725 COc1ccc(Cl)cc1-n1c2nc(SCC(=O)NCC3CCCO3)[nH]c(=O)c2sc1=S |(22.17,.5,;20.66,.18,;19.63,1.33,;20.11,2.79,;19.08,3.94,;17.57,3.62,;16.54,4.77,;17.09,2.16,;18.12,1.01,;17.64,-.45,;16.19,-.92,;14.85,-.15,;13.52,-.92,;12.19,-.15,;10.85,-.92,;9.52,-.15,;9.52,1.39,;8.18,-.92,;6.85,-.15,;5.52,-.92,;5.36,-2.45,;3.85,-2.77,;3.08,-1.44,;4.11,-.29,;13.52,-2.46,;14.85,-3.23,;14.85,-4.77,;16.19,-2.46,;17.64,-2.93,;18.54,-1.69,;20.08,-1.69,)|
37726 COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
37727 CCOc1ccccc1NC(=O)CSc1nccn1-c1ccccc1
37728 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1cc(cc(c1)C(=O)OC(C)C)C(=O)OC(C)C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
37729 O=C(NCc1cccnc1)C1N(C2CCCCCCC2)C(=O)c2ccccc12
37730 COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
37731 COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C(C3CCCC=C3)c12 |c:20|
37732 [H]C12CC(C)(Oc3ccccc13)N(CCO)C(=O)C2C(=O)Nc1ccc(C)cc1 |TLB:13:12:2:5.11.6,THB:10:11:2:12.18.16,19:18:2:5.11.6|
37733 COc1cccc(OC)c1C(=O)C(C#N)c1nc2ccccc2[nH]1
37734 COC(=O)[C@H](C(C)C)n1c(C)c(C(C)=O)c(C(C)=O)c1C
37735 Clc1ccccc1-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)o1
37736 COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(F)cc1 |(7.82,-2.09,;9.15,-1.32,;10.49,-2.09,;10.49,-3.63,;11.82,-4.4,;13.15,-3.63,;13.15,-2.09,;11.82,-1.32,;11.82,.22,;10.57,1.13,;9.11,.65,;7.97,1.68,;6.5,1.21,;6.18,-.3,;5.36,2.24,;5.52,3.77,;4.11,4.4,;3.08,3.25,;3.85,1.92,;11.05,2.59,;12.59,2.59,;13.07,1.13,;14.53,.65,;15.68,1.68,;17.14,1.21,;17.46,-.3,;18.28,2.24,;19.75,1.76,;20.07,.26,;21.53,-.22,;22.68,.81,;24.14,.33,;22.36,2.32,;20.89,2.79,)|
37737 Oc1nc(sc1C(=C)c1ccc(Br)cc1)N1CCCC1
37738 Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NC1CCCc2ccccc12
37739 CCC(CC)C(=O)Nc1n(-c2ccccc2)c(=O)nc2n(ncc12)-c1ccccc1
37740 CCc1nn2c(nc(CSc3nc4sc5CCCCc5c4c(=O)n3C)cc2=O)s1
37741 CCC(C)(N(CC1CCCO1)C(=O)c1ccc2OCOc2c1)C(=O)NC1CCCC1
37742 COC(=O)C1(CC1)S(=O)(=O)c1cccc2nsnc12
37743 Cc1c(CNCc2cccs2)c(C(O)=O)c(C)n1Cc1ccccc1
37744 CCN(C(=O)Cc1c([nH]c2ccccc12)C(O)=O)c1cc(OC)ccc1OC
37745 CCOC(=O)CSc1nnc(CNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1C
37746 COc1ccc(cc1NC(=O)CC(C)C)-c1cn2cccnc2n1
37747 CCC(SC1=Nc2ccccc2C2=NC(CC(C)C)C(=O)N12)C(=O)Nc1ccc2OCOc2c1 |t:4,13|
37748 COc1ccc(cc1OC)-c1cc(nc(NC2CCCC2)n1)C(F)(F)F
37749 Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)Nc1ccc(C)c(C)c1
37750 CCCC(=O)Nc1c2CS(=O)Cc2nn1-c1ccc(OC)cc1
37751 Cc1cccc(c1C)-n1nc2CSCc2c1NC(=O)c1ccco1
37752 CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23
37753 CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1C |w:7.6|
37754 CCCC(=O)Nc1cc(ccc1OC)-c1cn2cccnc2n1
37755 O=C(C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccccc1)c1cccs1
37756 CCOC(=O)C1CCN(Cc2ccc(cc2)C(=O)OC)CC1
37757 Cc1nnc(SCc2cnc(o2)-c2ccccc2)[nH]c1=O
37758 COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O
37759 COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O |(3.08,1.74,;4.41,.97,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;5.75,-1.34,;7.08,-.57,;7.08,.97,;5.75,1.74,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;16.67,3.32,;18.18,3.65,;18.95,2.32,;17.93,1.17,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,)|
37760 CCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCn1ccnc1
37761 OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc12
37762 C=CCOc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
37763 Cc1c(oc2cc(C)c(C)cc12)C(=O)NC1CCS(=O)(=O)C1
37764 Clc1ccc(cc1)C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
37765 O=C(NC1CCCC1)C1CC1c1ccccc1
37766 COc1ccc(C)cc1NC(=O)C1CCCCC1C(O)=O
37767 COc1ccc(OC)c(c1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1cc(C)on1
37768 O=c1cc(nc([nH]1)N1CCN(Cc2ccccc2)CC1)-c1ccccc1
37769 Cc1cccc(OCC(=O)Nc2cc(C)ccc2O)c1
37770 CCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1cccnc1
37771 CCOc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
37772 CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)Cc1ccccc1
37773 COc1ccc(CC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccc(C)cc2)cc1
37774 OC(=O)C1CCCCC1C(=O)Nc1ccc(cc1)C(=O)NCC1CCCO1
37775 COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(NC(C)=O)=NC1=O |c:15,27|
37776 CCCc1nc2ccccc2c2nc(N)nn12
37777 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ccc(OC)c(OC)c1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
37778 CSc1ccccc1NS(=O)(=O)c1ccccc1
37779 CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(OC)cc3)c2n1
37780 COCCCN1C(C(C(=O)c2ccc3OC(C)Cc3c2)C(=O)C1=O)c1cccnc1
37781 CCOc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCCn1ccnc1
37782 COc1ccc2cnn(-c3ccccc3)c(=O)c2c1OC
37783 Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1ccccc1
37784 COc1cccc2cc(oc12)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccnc1
37785 COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCCN3CCOCC3)C(=O)C2=O)c2ccccn2)c1C
37786 COc1cccc(c1)-c1nc(CS(=O)(=O)CC(=O)NCCC(C)C)c(C)o1
37787 CCCCSc1nc(O)cc(=O)n1CC=C
37788 OC(=O)CC1Oc2ccc(Cl)cc2NC1=O
37789 CCCNC(=O)CS(=O)(=O)Cc1nc(oc1C)-c1cccc(OC)c1
37790 Cc1ccsc1C1C2C(=O)CC(C)(C)CC2=Nc2ncnn12 |c:17|
37791 COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc(Cl)cc1
37792 CN1CCN(CC1)c1cc(NCCOC(C)=O)c2C(=O)c3ccccc3-c3onc1c23
37793 CC(CCc1ccco1)NC(=O)CCc1c(C)nc2c(c(C)nn2c1C)-c1ccc(F)cc1
37794 Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1F
37795 Cc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1
37796 Cc1ccc(Nc2nc(cs2)C2CC2)cc1
37797 Clc1ccc(cc1Cl)C1CC(c2cccs2)n2ncnc2N1
37798 Fc1ccc(cc1)-c1nnc2ccc(nn12)N1CCCC1
37799 Cc1cc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2-c2ccccc2C)no1 |(21.13,4.72,;19.62,4.4,;18.99,2.99,;17.46,3.16,;16.43,2.01,;14.92,2.34,;14.45,3.8,;13.89,1.19,;12.38,1.52,;11.35,.37,;11.67,-1.13,;10.33,-1.9,;9.19,-.87,;7.68,-1.19,;7.2,-2.65,;5.75,-3.12,;4.41,-2.35,;3.08,-3.12,;3.08,-4.66,;4.41,-5.43,;5.75,-4.66,;7.2,-5.13,;8.1,-3.89,;9.64,-3.89,;9.82,.54,;9.05,1.87,;7.51,1.87,;6.74,3.21,;7.52,4.54,;9.06,4.54,;9.82,3.2,;11.36,3.2,;17.14,4.66,;18.48,5.43,)|
37800 Brc1ccc(o1)C(=O)Nc1ccc(Nc2ccccc2)cc1
37801 [H]C12[#6]-[#6]C([H])([#6](-[#6]1-[#6](-[#8])=O)-[#6](=O)-[#7]-c1cc(-[#8]-[#6])ccc1-[#8]-[#6])\[#6]2=[#6](\[#6])-[#6] |TLB:11:6:24:3.2,THB:8:7:24:3.2|
37802 COC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O
37803 COCCCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Br)c1
37804 CCOc1ccc(cc1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1ccc(C)o1
37805 Cc1ccc(cc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccnc1
37806 Cc1ccc(o1)C1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CC1CCCO1
37807 COc1ccc2c(c1)oc(C)c(N1C(=O)c3ccccc3C1=O)c2=O
37808 Cc1ccc(F)c(NC(=O)C2CCCCC2C(O)=O)c1
37809 Clc1ccc(cc1Cl)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncccn1
37810 COc1ccc(cc1OC)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1nnc(C)s1
37811 CCOC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccccc1OC |(4.41,5.39,;4.41,3.85,;5.75,3.08,;5.75,1.54,;4.41,.77,;7.08,.77,;8.41,1.54,;9.75,.77,;11.13,1.59,;12.52,.8,;13.85,1.58,;12.52,-.8,;11.13,-1.59,;9.75,-.77,;8.41,-1.54,;8.41,-3.08,;7.08,-.77,;5.75,-1.54,;4.41,-.77,;3.08,-1.54,;3.08,-3.08,;4.41,-3.85,;5.75,-3.08,;7.08,-3.85,;7.08,-5.39,)|
37812 COc1cc(cc(OC)c1OC)C1C(C(=O)c2cccs2)C(=O)C(=O)N1Cc1ccco1
37813 COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
37814 COc1ccc(cc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccc(C)cc1
37815 O=C1Nc2ccccc2\C1=C1\SC(=S)N(CC2CCCO2)C1=O
37816 COCCN1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
37817 Cc1ccc(o1)C1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1Cc1ccco1
37818 Cc1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(OCC=C)cc1
37819 CCOc1cccc(c1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccco1
37820 Cc1nc2c(c[nH]n2c(=O)c1Cc1ccccc1)C#N
37821 Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1C#N
37822 CCOC(=O)Cc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
37823 COc1cccc(c1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccco1
37824 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
37825 O=C(C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccco1)c1ccco1
37826 CCOc1ccc(cc1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1ccco1
37827 Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
37828 Clc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1ncccn1
37829 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1cc(cc(c1)C(=O)OCC)C(=O)OCC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
37830 COc1ccc2c(c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O
37831 OC(=O)C1CCCCC1C(=O)Nc1ccccc1Cl
37832 CCCNC(=S)Nc1ccc(Nc2ccccc2)cc1
37833 CCCOc1ccc2c(c1)oc(C)c(N1C(=O)c3ccccc3C1=O)c2=O
37834 Cc1ccc(Nc2ccc(cc2N)C(O)=O)cc1
37835 Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|
37836 CC(C)(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1
37837 O=C(C1C(N(Cc2ccco2)C(=O)C1=O)c1ccccc1)c1cccs1
37838 CCc1cc2c(cc1OC(=O)C(C)(C)C)oc(COCC(O)=O)c(-c1nc3ccccc3n1C)c2=O |(15.91,-4.32,;15.92,-2.78,;14.59,-2,;13.19,-2.79,;11.82,-1.97,;11.82,-.43,;13.19,.4,;14.59,-.4,;15.92,.38,;15.91,1.92,;14.58,2.68,;17.24,2.69,;18.57,3.47,;16.47,4.02,;18.02,1.36,;10.48,.34,;9.15,-.43,;7.82,.34,;7.82,1.88,;6.48,2.65,;6.48,4.19,;5.15,4.96,;7.82,4.96,;9.15,-1.97,;7.82,-2.74,;6.42,-2.11,;5.39,-3.25,;3.85,-3.25,;3.08,-4.58,;3.85,-5.92,;5.39,-5.92,;6.16,-4.58,;7.66,-4.26,;8.8,-5.29,;10.48,-2.74,;10.48,-4.28,)|
37839 Cc1nc2c(C)cccn2c1C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1
37840 COCCN1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccccc1
37841 COc1ccccc1Oc1c(C)oc2c(CN(C)C)c(O)ccc2c1=O
37842 COc1ccc(cc1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1ccc(OC)cc1OC
37843 CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O
37844 Cc1cccc(Nc2ccccc2C(=O)NCc2ccco2)c1C
37845 CCOc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCCn1ccnc1
37846 Cc1sc(NC(=O)C2CCCCC2C(O)=O)c(C(N)=O)c1-c1ccc(cc1)C(C)(C)C
37847 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OCC)-c1ccc(C)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
37848 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1scc(c1C(=O)OCC)-c1ccc(cc1)-c1ccccc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
37849 Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1N
37850 COc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
37851 Cc1csc(c1)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccccc1
37852 Nc1cc(OC(=O)c2cc3ccccc3s2)nn1S(=O)(=O)c1ccccc1
37853 COc1ccc(cc1)S(=O)(=O)n1nc(OC(C)=O)cc1N
37854 COc1ccc(cc1)S(=O)(=O)n1nc(OC(C)=O)cc1N(C(C)=O)C(C)=O
37855 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1N
37856 O=C(Oc1ccccc1)c1cccs1
37857 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccncc2)cc1N
37858 Cc1ccc(cc1)S(=O)(=O)NNC(=O)CC#N
37859 COc1ccc(cc1)S(=O)(=O)n1nc(OCc2cccs2)cc1N
37860 Cc1ccc(cc1)S(=O)(=O)n1ccc(=O)[nH]1
37861 Cc1ccc(cc1)S(=O)(=O)n1ccc(OC(=O)c2cccs2)n1
37862 COc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)Nc1cccs1
37863 Cc1ccc(cc1)S(=O)(=O)n1[nH]c(=O)cc1NC(=O)c1cccs1
37864 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2cccs2)cc1NC(=O)c1cccs1
37865 COc1ccc(cc1)S(=O)(=O)n1nc(OS(=O)(=O)c2cccs2)cc1N
37866 COc1ccc(cc1)S(=O)(=O)n1nc(OS(=O)(=O)C(F)(F)F)cc1N
37867 OC(CS)C(O)CSC(=O)c1cccs1
37868 COc1ccccc1CNC(=O)Cn1nnc(n1)-c1ccncc1
37869 O=C(Cn1nnc(n1)-c1ccncc1)N1CCc2ccccc12
37870 Fc1ccccc1Cn1nnc2c(ncnc12)-n1ccnc1
37871 CCc1cc2c(nc[nH]c2=O)s1
37872 Cc1cccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)c1
37873 CCN1CCN(Cc2nnnn2C(C)(C)C)CC1
37874 C(c1ccccc1)n1ncc2c1ncn1c(nnc21)-c1ccncc1
37875 O=C(CCCOc1ccccc1)Nc1ccncc1
37876 COc1ccc2c(Cl)c(sc2c1)C(N)=O
37877 CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
37878 CN(C(=O)COc1ccccc1)c1nnc(s1)-c1ccncc1
37879 C1CCC(CC1)Nc1ncnc2nc[nH]c12
37880 COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
37881 Cc1cc2c(ccc3[nH]onc23)n1
37882 Fc1cc2nc([nH]c2cc1F)-c1ccncc1
37883 C1CCN(C1)c1nc(nc2ccccc12)-c1ccncc1
37884 C(Sc1nnc(o1)-c1ccncc1)c1nc2ccccc2[nH]1
37885 CCOc1nc(nc2ccccc12)-c1ccncc1
37886 CC1CCCCN1c1nc(nc2ccccc12)-c1ccncc1
37887 Cc1cccc(c1)-n1ncc2c(N)ncnc12
37888 C(c1ccccc1)n1ncc2c1ncn1nc(nc21)-c1ccncc1
37889 COC(=O)CNc1nc(nc2ccccc12)-c1ccncc1
37890 COCCCNc1nc(nc2ccccc12)-c1ccncc1
37891 CCC1CCCCN1c1nc(nc2ccccc12)-c1ccncc1
37892 CC1(C)Cc2c(CO1)c(nc1n[nH]c(N)c21)-c1ccco1
37893 COc1ccc2n(C)c3c(ncn(Cc4ccco4)c3=O)c2c1
37894 COc1cc2c(cc1NC(=O)COC(=O)Cn1cnc3ccccc13)oc1ccccc21
37895 CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1
37896 O=C(OCn1nnc2ccccc2c1=O)c1ccc2ncsc2c1
37897 COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1
37898 CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1
37899 Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2OCOc2c1
37900 C1COC2(CCN(CC2)c2ncnc3nc[nH]c23)O1
37901 CCc1c([nH]c(C)c1C(C)=O)C(=O)NCc1ccc2OCOc2c1
37902 Nc1nonc1-n1nncc1-c1ccccc1
37903 C1CCN(C1)c1ncnc2nc[nH]c12
37904 Nc1[nH]nc2nc(nc(-c3ccccc3)c12)N1CCCC1
37905 Cc1nn(c2CCc3cnc(N)nc3-c12)-c1ccccn1
37906 CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
37907 COc1ccc(cc1)-c1nc(nc2n[nH]c(N)c12)N1CCOCC1
37908 FC(F)Sc1ccc(Nc2ncnc3nc[nH]c23)cc1
37909 Cc1csc(NC(=O)CSc2nnc(o2)-c2ccncc2)n1
37910 Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccncc1
37911 Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccncc1)-c1ccccc1
37912 O=C1c2ccccc2-c2ncnc3cccc1c23
37913 O=C(Cc1cccs1)Nc1nnc(s1)-c1ccncc1
37914 Cc1ccc(SCc2nc(no2)-c2ccncc2)cc1
37915 CCOC(=O)c1nc[nH]c1C(=O)Nc1ccncc1
37916 CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1
37917 CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
37918 C(Nc1nc(cs1)-c1ccncc1)c1ccco1
37919 Cc1ccc(cc1)S(=O)(=O)NCCSc1nnnn1-c1ccc(cc1)C(N)=O
37920 COc1ccc(OCCSc2ncnc3nc[nH]c23)cc1
37921 Cc1ccc(o1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1
37922 CC(=O)n1cc(-c2ccncc2)c2ccccc12
37923 COc1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1
37924 C1CCN(CC1)c1ncnc2nc[nH]c12
37925 CCCCc1ccc(Nc2ncnc3nc[nH]c23)cc1
37926 CCOC(=O)N1CCN(CC1)c1ncnc2nc[nH]c12
37927 OC1CCN(CC1)c1ncnc2nc[nH]c12
37928 C(Cc1c[nH]c2ccccc12)Nc1ncnc2nc[nH]c12
37929 Cc1ccc(Nc2ncnc3nc[nH]c23)cc1Cl
37930 C(CNc1ncnc2nc[nH]c12)Cc1ccccc1
37931 C1CCC(C1)Nc1ncnc2nc[nH]c12
37932 C1CCCN(CC1)c1ncnc2nc[nH]c12
37933 COc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12
37934 CCOC(=O)C1CCN(CC1)c1ncnc2nc[nH]c12
37935 C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccc2OCOc2c1
37936 C1CCCC(CC1)Nc1ncnc2nc[nH]c12
37937 C(Oc1ccc(Nc2ncnc3nc[nH]c23)cc1)c1ccccc1
37938 NC(=O)c1sc2nc(N3CCCCC3)c3CCCCc3c2c1N
37939 CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1
37940 C(CSc1ncnc2nc[nH]c12)Oc1ccccc1
37941 c1sc2ncn3cnnc3c2c1-c1ccccc1
37942 CC1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
37943 O=NCc1c[nH]c2ccccc12
37944 CCOc1ccc2nc3ccc4[nH]onc4c3c2c1
37945 Oc1ccc(NC(=O)c2c(O)[nH]c(=S)[nH]c2=O)c(F)c1
37946 Cc1nonc1NC(=O)CSc1ccc(nn1)-c1ccccc1
37947 Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1cc(F)c(O)c(F)c1
37948 N#Cc1cc2ccccc2nc1SCc1cccnc1
37949 Oc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c(F)c1
37950 Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccncc1
37951 CCOC(=O)CCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37952 Clc1ccc(cc1Cl)C(=O)Cn1c2ccccc2n(CCN2CCOCC2)c1=N
37953 OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|
37954 CC(C)(C)OC(=O)CCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37955 OC(=O)CCCOc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37956 OC(=O)CCCOc1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
37957 CCOC(=O)OC(C)OC(=O)CCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37958 COC(=O)C1=C(C)OC(=N)C(C#N)C1c1cc(OC)c(OCC(N)=O)cc1Cl |c:4|
37959 CN(C)c1ccc(CNCCC2(O)CCOC(C)(C)C2)cc1
37960 CC(C)OC(=O)OC(C)OC(=O)CCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37961 CC(C)(C)C(=O)OCOC(=O)CCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37962 CC(C)C(=O)OC(C)OC(=O)CCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37963 OC(=O)COCCNc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37964 OC(=O)COCCNc1ccc(Cl)cc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
37965 OC(=O)COCCNc1c(F)cccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
37966 CN(CCNc1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)CC(O)=O
37967 OC(=O)COc1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
37968 Cc1nnc(SCc2ccccc2)n1N
37969 Fc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cc3cc4OCOc4cc3[nH]c2=O)cc1
37970 OC(=O)COc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37971 COC(=O)c1cc(=O)nc2sccn12
37972 OC(=O)CCCCc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37973 OC(=O)C1(CC1)Oc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37974 FC(F)(F)C(OC(=O)N1CCN(Cc2cc(COC=O)cc(c2)C(F)(F)F)CC1)C(F)(F)F
37975 CC(C)(OC=O)C#Cc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
37976 FC(F)(F)C(OC(=O)N1CCN(Cc2cc(OC3(CC3)OC=O)cc(c2)C(F)(F)F)CC1)C(F)(F)F
37977 Cc1csc(NC(=O)CN2CCCCCC2)n1
37978 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC(=O)NS(C)(=O)=O)c1F
37979 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC(=O)NS(=O)(=O)C2CC2)c1F
37980 OC(=O)C1(CC1)Oc1c(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cccc1C(F)(F)F
37981 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC2(CC2)C(O)=O)c1Cl
37982 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(C#CC(C)(C)C(O)=O)c1F
37983 CC(C)(C#Cc1c(F)cccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(O)=O
37984 OC(=O)C1(COc2c(CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(F)cc2C#N)CC1
37985 OC(=O)C1(COc2cc(ccc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)CC1
37986 OC(=O)C1(COc2cc(CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c2)C(F)(F)F)CC1
37987 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC2(CC2)C(O)=O)c1F
37988 OC(=O)C1(COc2c(CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)cccc2C(F)(F)F)CC1
37989 [H]C12CCCC([H])(CC(C1)NC(=O)N(CC)CC)N2Cc1ccccc1
37990 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC2(CC2)C(=O)NS(C)(=O)=O)c1F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|
37991 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC2(CCCC2)C(O)=O)c1F
37992 OC(=O)C1(COc2c(CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc(F)c2F)CC1
37993 OC(=O)C1(COc2cc(F)c(F)cc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)CC1
37994 OC(=O)C1(COc2cc(ccc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C#N)CC1
37995 OC(=O)C1(COc2c(CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)cccc2C#N)CC1
37996 OC(=O)C1(COc2c(CN3CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)ccc(F)c2F)CCCC1
37997 Cc1c(F)ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1OCC1(CC1)C(O)=O
37998 Cc1cc(F)cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1OCC1(CC1)C(O)=O
37999 Cc1cc(F)cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c1OCC1(CCCC1)C(O)=O
38000 CCC(C)(C)NC(=O)C(N(Cc1ccco1)C(=O)c1csnn1)c1ccccc1F
38001 OC(=O)C1(COc2c(F)cccc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)CCCC1
38002 OC(=O)C1(COc2cc(F)ccc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)CCCC1
38003 OC(=O)C1(COc2cc(ccc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C#N)CCCC1
38004 OC(=O)[C@@H]1C[C@@H](C1)Oc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r,wU:5.7,3.2,(-9.61,-3.62,;-8.28,-4.39,;-8.28,-5.93,;-6.94,-3.62,;-5.46,-4.02,;-5.06,-2.54,;-6.55,-2.14,;-3.72,-1.77,;-3.72,-.23,;-5.06,.54,;-5.06,2.08,;-3.72,2.85,;-2.39,2.08,;-2.39,.54,;-1.06,-.23,;.28,.54,;1.61,-.23,;2.94,.54,;2.94,2.08,;1.61,2.85,;.28,2.08,;4.28,2.85,;4.28,4.39,;5.61,2.08,;6.94,2.85,;8.28,2.08,;9.61,1.31,;7.51,.75,;9.05,3.42,;6.94,4.39,;8.48,4.39,;5.4,4.39,;6.94,5.93,;-6.39,2.85,;-7.73,2.08,;-6.39,4.39,;-6.39,1.31,)|
38005 OC(=O)[C@H]1CC[C@H](C1)Oc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
38006 OC(=O)[C@@H]1CC[C@H](C1)Oc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r|
38007 OC(=O)[C@H]1C[C@@H](C1)Oc1cc(ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F |r,wU:3.2,wD:5.7,(-9.61,-3.62,;-8.28,-4.39,;-8.28,-5.93,;-6.94,-3.62,;-6.55,-2.14,;-5.06,-2.54,;-5.46,-4.02,;-3.72,-1.77,;-3.72,-.23,;-5.06,.54,;-5.06,2.08,;-3.72,2.85,;-2.39,2.08,;-2.39,.54,;-1.06,-.23,;.28,.54,;1.61,-.23,;2.94,.54,;2.94,2.08,;1.61,2.85,;.28,2.08,;4.28,2.85,;4.28,4.39,;5.61,2.08,;6.94,2.85,;8.28,2.08,;9.61,1.31,;7.51,.75,;9.05,3.42,;6.94,4.39,;8.48,4.39,;5.4,4.39,;6.94,5.93,;-6.39,2.85,;-7.73,2.08,;-6.39,4.39,;-6.39,1.31,)|
38008 COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1CC1CCCO1
38009 CC(C)(C#Cc1cc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)C(O)=O
38010 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC(O)=O)c1Cl
38011 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC(=O)NS(C)(=O)=O)c1Cl
38012 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC(=O)NS(=O)(=O)C2CC2)c1Cl
38013 CS(=O)(=O)NC(=O)COc1cc(Cl)ccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F
38014 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC2(CC2)C(=O)NS(C)(=O)=O)c1Cl |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;$|
38015 Cc1ccc(CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)c(OCC(O)=O)c1F
38016 CS(=O)(=O)NC(=O)C1(COc2cc(ccc2CN2CCN(CC2)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F)CC1
38017 CC(=O)NC1N=C(C)N(C1=O)c1ccccc1 |t:5|
38018 CC(C)(C#Cc1c(Cl)cccc1CN1CCN(CC1)C(=O)OC(C(F)(F)F)C(F)(F)F)C(O)=O
38019 CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
38020 CCC(C)(C)n1nnnc1C(N1CCCc2ccccc12)c1cccnc1
38021 CC1(N)CCN(CC1)c1cnc(cn1)-c1cccc(Cl)c1Cl
38022 Cc1cccc(c1Cl)-c1cnc(nc1N)N1CCC(C)(N)CC1
38023 COc1ccc(cc1)C1C2=C(OC(C)=O)c3ccccc3C2=Nc2c1c(=O)n(C)c(=O)n2C |c:10,24|
38024 CC1(N)CCN(CC1)c1ncc(-c2ccc(Cl)s2)c(N)n1
38025 Cc1ccc(s1)-c1cnc(nc1N)N1CCC(C)(N)CC1
38026 COc1cc(Cl)c(Cl)c(c1)-c1cnc(nc1N)N1CCC(C)(N)CC1
38027 CC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
38028 O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1
38029 NCC1CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
38030 Cc1ccc2c(CCCOc3cccc4ccccc34)c(sc2c1)C(O)=O
38031 Cc1ccccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(sc12)C(O)=O
38032 OC(=O)c1sc2c(cccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
38033 Cc1ccccc1-c1ccc2c(CCCOc3cccc4ccccc34)c(sc2c1)C(O)=O
38034 OC(=O)c1sc2cc(ccc2c1CCCOc1cccc2ccccc12)-c1ccccc1
38035 CS(=O)(=O)NC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
38036 FC(F)(F)S(=O)(=O)NC(=O)c1cc2ccccc2n1CCCOc1cccc2ccccc12
38037 O=C(NC1CCCCC1)C(C#N)c1nc2ccccc2nc1N1CCCCC1
38038 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2ccccc12
38039 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)ccc1Cl
38040 Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CCC2NCCC2C1
38041 C[C@@]1(CN)CCN(C[C@@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl.C[C@]1(CN)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
38042 NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccc1
38043 OC(=O)C(=O)c1oc2ccc(Cl)cc2c1CCCOc1cccc2ccccc12
38044 O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1oc2ccccc2c1CCCOc1cccc2ccccc12
38045 NC1C2CN(CC12)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
38046 Cc1cc(OCCCc2c(oc3ccccc23)C(=O)NS(=O)(=O)c2ccc3ccccc3c2)cc(C)c1Cl
38047 Cc1cc(OCCCc2c(oc3ccccc23)C(=O)NS(=O)(=O)c2cccc3ccccc23)cc(C)c1Cl
38048 NC[C@H]1CCN(C1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
38049 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccccc1
38050 Cc1cccc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)c1
38051 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc(c1)C(F)(F)F
38052 Cc1ccc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)cc1
38053 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(cc1)C(F)(F)F
38054 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)cc1
38055 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Br)cc1
38056 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2ccccc2c1
38057 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc2CCCCc2c1
38058 CN(C)C(CNc1ncnc2sc(C)c(C)c12)c1ccco1
38059 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1ccc(Cl)c2ccccc12
38060 COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc2C(=O)NC(=O)c12
38061 CCc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(C)(=O)=O)ccc1Cl
38062 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCCc12
38063 COc1ccc(cc1)N1C(C)=CS\C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 |c:11|
38064 CS(=O)(=O)NC(=O)c1[nH]c2cccc(Cl)c2c1CCCOc1cccc2ccccc12
38065 Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)ccc1Cl
38066 Cc1cc(OCCCc2c([nH]c3cccc(Cl)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38067 CCCC1(CN)CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl
38068 Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)ccc1Cl
38069 C[C@@]1(N)CCN(C[C@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl.C[C@]1(N)CCN(C[C@@H]1O)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl |r|
38070 CS(=O)(=O)NC(=O)c1sc2ccccc2c1CCCOc1cccc2ccccc12
38071 O=C(NS(=O)(=O)Cc1ccccc1)c1sc2ccccc2c1CCCOc1cccc2ccccc12
38072 NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccncc1
38073 NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1cnccn1
38074 Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)C2CC2)cc(C)c1Cl
38075 Cc1cc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(=O)(=O)Cc2ccccc2)cc(C)c1Cl
38076 O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
38077 Clc1ccc2oc(SC3CCOC3=O)nc2c1
38078 O=C(NS(=O)(=O)C1CC1)c1sc2ccccc2c1CCCOc1cccc2ccccc12
38079 Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12
38080 Cc1cc(OCCCc2c(sc3ccccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38081 Cc1cc(OCCCc2c(sc3ccccc23)C(=O)NS(=O)(=O)C2CC2)cc(C)c1Cl
38082 Cc1cc(OCCCc2c(sc3ccccc23)C(=O)NS(=O)(=O)Cc2ccccc2)cc(C)c1Cl
38083 Cc1cc(OCCCc2c(sc3cccc(Cl)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38084 CN(C)c1ccc(cc1)-c1nc2ccccc2n1C
38085 Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38086 OC(=O)c1sc2c(NCc3ccccc3)cccc2c1CCCOc1cccc2ccccc12
38087 CS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cccc2CCCc12
38088 CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCCc12
38089 CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1ccc(Cl)c2ccccc12
38090 Cc1cc(OCCCc2c([nH]c3cc(ccc23)C(F)(F)F)C(=O)NS(C)(=O)=O)ccc1Cl
38091 Cc1cc(OCCCc2c([nH]c3cc(ccc23)C(F)(F)F)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38092 CS(=O)(=O)NC(=O)c1[nH]c2cc(ccc2c1CCCOc1cccc2ccccc12)C(F)(F)F
38093 Cc1cc(OCCCc2c([nH]c3cccc(c23)C(F)(F)F)C(=O)NS(C)(=O)=O)ccc1Cl
38094 CS(=O)(=O)NC(=O)c1[nH]c2cccc(c2c1CCCOc1cccc2ccccc12)C(F)(F)F
38095 Cc1cc(OCCCc2c([nH]c3cccc(c23)C(F)(F)F)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38096 Cc1cc(OCCCc2c([nH]c3c(Br)cccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38097 Cc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(C)(=O)=O
38098 COc1ccccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(C)(=O)=O
38099 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccco2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38100 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccoc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38101 Cc1noc(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.45,-6.66,;-2.78,-7.43,;-3.26,-8.9,;-4.8,-8.9,;-5.27,-7.43,;-6.61,-6.66,;-4.03,-6.53,;-4.03,-4.99,;-5.36,-4.22,;-5.36,-2.68,;-4.03,-1.91,;-2.69,-2.68,;-1.23,-2.2,;-.83,-.72,;-1.92,.37,;-1.52,1.86,;-2.61,2.95,;-2.21,4.44,;-3.3,5.53,;-2.9,7.01,;-3.99,8.1,;-1.41,7.41,;-1.02,8.9,;-.32,6.32,;1.16,6.72,;-.72,4.84,;-.32,-3.45,;-1.23,-4.7,;-2.69,-4.22,;1.22,-3.45,;1.99,-2.12,;1.99,-4.78,;3.53,-4.78,;4.3,-3.45,;3.53,-3.24,;4.3,-6.12,;3.53,-7.45,;4.3,-8.78,;5.84,-8.78,;6.61,-7.45,;5.84,-6.12,)|
38102 NCC1(CCN(CC1)c1cnc(c(N)n1)-c1cccc(Cl)c1Cl)c1ccccn1
38103 COc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
38104 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnc3ccccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38105 Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CC2CNCC12
38106 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccncc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38107 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccs2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38108 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccsc2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38109 Cc1sccc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
38110 Cc1ccsc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1
38111 COc1ccc(cc1)-c1coc2c(CN3CCCCC3)c(O)c(CN3CCCCC3)c(O)c2c1=O
38112 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccnn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38113 Oc1c(-c2ccccc2)c(=O)c2cccc3CCCn1c23
38114 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cccn2C)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38115 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ncccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38116 Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
38117 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC1CCCc2ccccc12
38118 CC(C)OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1
38119 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnccc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38120 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2ccncc2C(F)(F)F)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38121 CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1ccc(Cl)c(Cl)c1
38122 CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2CCCc12
38123 CS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1ccccc1Br
38124 COc1cccc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)c1
38125 CCOC(=O)N1CCC(CC1)NC(=O)CSc1cc(=O)n(C)c2ccccc12
38126 COc1ccc(OCCCc2c([nH]c3cc(Cl)ccc23)C(=O)NS(C)(=O)=O)cc1
38127 Cc1cc(OCCCc2c([nH]c3ccc(Cl)cc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38128 CS(=O)(=O)NC(=O)c1[nH]c2ccc(Cl)cc2c1CCCOc1cccc2ccccc12
38129 Cc1cc(OCCCc2c([nH]c3cc(Br)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38130 CCOC(=O)CCn1n(-c2ccccc2)c(=O)c2c(C)cc(C)nc12
38131 Cc1cc(OCCCc2c([nH]c3cccc(Br)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38132 CS(=O)(=O)NC(=O)c1[nH]c2cc(Br)ccc2c1CCCOc1cccc2ccccc12
38133 CS(=O)(=O)NC(=O)c1[nH]c2cccc(Br)c2c1CCCOc1cccc2ccccc12
38134 Cc1cc(OCCCc2c([nH]c3cccc(C)c23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38135 Cc1ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c2c1)C(=O)NS(C)(=O)=O
38136 Cc1ccc2c(CCCOc3cccc4ccccc34)c([nH]c2c1)C(=O)NS(C)(=O)=O
38137 Cc1cc(OCCCc2c([nH]c3c(C)c(Cl)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38138 O=C(N1CCCc2ccccc12)c1cc(on1)-c1ccco1
38139 CC1(C)CC(=O)c2cc(OCC(=O)N3CCN(CC3)c3ccccc3F)ccc2O1
38140 Cc1cc(OCCCc2c([nH]c3c(C)c(Br)ccc23)C(=O)NS(C)(=O)=O)cc(C)c1Cl
38141 Cc1cc(OCCCc2c([nH]c3c(-c4cnn(C)c4)c(Cl)ccc23)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38142 Cc1cc(OCCCc2c([nH]c3c(ccc(Cl)c23)-c2cnn(C)c2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38143 Cc1cc(OCCCc2c([nH]c3c(cccc23)-c2cnn(C)c2)C(=O)NS(=O)(=O)c2ccccc2)cc(C)c1Cl
38144 CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)NS(=O)(=O)c4ccccc4)n(Cc4cccnc4)c23)cc1 |(-13.75,-5.07,;-12.66,-3.98,;-13.06,-2.49,;-11.17,-4.38,;-10.08,-3.29,;-8.6,-3.69,;-8.2,-5.17,;-9.29,-6.26,;-10.77,-5.86,;-6.71,-5.57,;-5.62,-4.48,;-4.13,-4.88,;-3.73,-6.37,;-2.25,-6.77,;-1.16,-5.68,;.33,-6.08,;.81,-7.54,;2.35,-7.54,;3.12,-8.88,;2.82,-6.08,;4.15,-5.31,;1.58,-5.17,;1.58,-3.63,;.24,-2.86,;.24,-1.32,;1.58,-.55,;2.91,-1.32,;4.37,-.85,;4.77,.64,;6.26,1.04,;6.66,2.53,;8.15,2.93,;8.54,4.41,;7.46,5.5,;7.85,6.99,;6.76,8.08,;9.34,7.39,;9.74,8.88,;10.43,6.3,;11.92,6.7,;10.03,4.81,;5.28,-2.09,;6.82,-2.09,;7.59,-.76,;7.59,-3.43,;9.13,-3.43,;9.13,-4.97,;9.13,-1.89,;10.67,-3.43,;11.44,-4.76,;12.98,-4.76,;13.75,-3.43,;12.98,-2.09,;11.44,-2.09,;4.37,-3.34,;4.77,-4.83,;6.26,-5.22,;5.86,-6.71,;6.95,-7.8,;8.44,-7.4,;8.84,-5.91,;7.75,-4.83,;2.91,-2.86,;-4.82,-7.46,;-6.31,-7.06,)|
38145 CC(=O)N1CCN(CC1)c1ccc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cc(C)c(Cl)c(C)c4)c(C(=O)NS(C)(=O)=O)n(Cc4cccnc4)c23)cc1 |(-12.83,-5.07,;-11.74,-3.98,;-12.14,-2.49,;-10.26,-4.38,;-9.17,-3.29,;-7.68,-3.69,;-7.28,-5.17,;-8.37,-6.26,;-9.86,-5.86,;-5.79,-5.57,;-4.71,-4.48,;-3.22,-4.88,;-2.82,-6.37,;-1.33,-6.77,;-.24,-5.68,;1.24,-6.08,;1.72,-7.54,;3.26,-7.54,;4.03,-8.88,;3.74,-6.08,;5.07,-5.31,;2.49,-5.17,;2.49,-3.63,;1.16,-2.86,;1.16,-1.32,;2.49,-.55,;3.82,-1.32,;5.29,-.85,;5.69,.64,;7.18,1.04,;7.57,2.53,;9.06,2.93,;9.46,4.41,;8.37,5.5,;8.77,6.99,;7.68,8.08,;10.26,7.39,;10.66,8.88,;11.35,6.3,;12.83,6.7,;10.95,4.81,;6.19,-2.09,;7.73,-2.09,;8.5,-.76,;8.5,-3.43,;10.04,-3.43,;11.58,-3.43,;10.04,-4.97,;10.04,-1.89,;5.29,-3.34,;5.69,-4.83,;7.18,-5.22,;6.78,-6.71,;7.87,-7.8,;9.35,-7.4,;9.75,-5.92,;8.66,-4.83,;3.82,-2.86,;-3.91,-7.46,;-5.4,-7.06,)|
38146 Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(C)(=O)=O |(-.68,-5.31,;-2.01,-6.08,;-3.26,-5.17,;-4.51,-6.08,;-5.99,-5.68,;-7.08,-6.77,;-4.03,-7.54,;-2.49,-7.54,;-1.72,-8.88,;-3.26,-3.63,;-4.59,-2.86,;-4.59,-1.32,;-3.26,-.55,;-1.93,-1.32,;-.46,-.85,;-.06,.64,;1.42,1.04,;1.82,2.53,;3.31,2.93,;3.71,4.41,;2.62,5.5,;3.02,6.99,;1.93,8.08,;4.51,7.39,;4.9,8.88,;5.59,6.3,;7.08,6.7,;5.2,4.81,;.44,-2.09,;-.46,-3.34,;-1.93,-2.86,;1.98,-2.09,;2.75,-.76,;2.75,-3.43,;4.29,-3.43,;5.83,-3.43,;4.29,-4.97,;4.29,-1.89,)|
38147 Cc1c(c(CO)nn1C)-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-1.6,-5.31,;-2.93,-6.08,;-4.18,-5.17,;-5.42,-6.08,;-6.91,-5.68,;-8,-6.77,;-4.95,-7.54,;-3.41,-7.54,;-2.64,-8.88,;-4.18,-3.63,;-5.51,-2.86,;-5.51,-1.32,;-4.18,-.55,;-2.84,-1.32,;-1.38,-.85,;-.98,.64,;.51,1.04,;.91,2.53,;2.39,2.93,;2.79,4.41,;1.7,5.5,;2.1,6.99,;1.01,8.08,;3.59,7.39,;3.99,8.88,;4.68,6.3,;6.17,6.7,;4.28,4.81,;-.47,-2.09,;-1.38,-3.34,;-2.84,-2.86,;1.07,-2.09,;1.84,-.76,;1.84,-3.43,;3.38,-3.43,;3.38,-4.97,;3.38,-1.89,;4.92,-3.43,;5.69,-4.76,;7.23,-4.76,;8,-3.43,;7.23,-2.09,;5.69,-2.09,)|
38148 COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)n(Cc3cccnc3)c12 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,;-.63,-3.34,;.14,-4.67,;1.23,-5.76,;.83,-7.25,;1.92,-8.34,;3.4,-7.94,;3.8,-6.45,;2.71,-5.36,;-2.1,-2.86,)|
38149 COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)n(C)c12 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,;-.63,-3.34,;.14,-4.67,;-2.1,-2.86,)|
38150 COCc1nn(C)c(C)c1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c([nH]c12)C(=O)NS(=O)(=O)c1ccccc1 |(-8.74,-6.37,;-7.25,-6.77,;-6.17,-5.68,;-4.68,-6.08,;-4.2,-7.54,;-2.66,-7.54,;-1.89,-8.88,;-2.19,-6.08,;-.85,-5.31,;-3.43,-5.17,;-3.43,-3.63,;-4.77,-2.86,;-4.77,-1.32,;-3.43,-.55,;-2.1,-1.32,;-.63,-.85,;-.23,.64,;1.25,1.04,;1.65,2.53,;3.14,2.93,;3.54,4.41,;2.45,5.5,;2.85,6.99,;1.76,8.08,;4.33,7.39,;4.73,8.88,;5.42,6.3,;6.91,6.7,;5.02,4.81,;.27,-2.09,;-.63,-3.34,;-2.1,-2.86,;1.81,-2.09,;2.58,-.76,;2.58,-3.43,;4.12,-3.43,;4.12,-4.97,;4.12,-1.89,;5.66,-3.43,;6.43,-4.76,;7.97,-4.76,;8.74,-3.43,;7.97,-2.09,;6.43,-2.09,)|
38151 Nc1nc(cnc1-c1cccc(Cl)c1Cl)N1CC2CNCC2C1
38152 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
38153 CCc1nn(C(C)C(=O)NC(C)CCc2ccco2)c(=O)c2cc3occc3n12
38154 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2cccnc2)cc(C)c1Cl
38155 CC1(N)CCN(CC1)c1cnc(c(N)n1)-c1cccc2cc[nH]c12
38156 Cn1nc(CC(=O)Nc2ncc(Br)s2)c2ccccc2c1=O
38157 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccnc(Cl)c2)cc(C)c1Cl
38158 O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(CC1)S(=O)(=O)N1CCCC1
38159 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)cc(C)c1Cl
38160 Cc1ccccc1S(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
38161 COc1ccc(c(OC)c1)S(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
38162 CN1C(C(C(O)=O)c2ccccc2C1=O)c1sccc1C
38163 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc(C)c1Cl
38164 Cc1cc(OCCCC2C(Nc3ccccc23)C(=O)NS(=O)(=O)CCc2ccccc2)cc(C)c1Cl
38165 CC1(N)CCN(CC1)c1cnc(C2=CCCCC2)c(N)n1 |t:13|
38166 COc1ccc(Oc2cccc(c2)S(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
38167 CCOc1ccc(Oc2ccc(cc2)S(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
38168 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)c2ccc(OCc3ccccc3)nc2)cc(C)c1Cl
38169 COc1ccc(Cn2nnn(CC(=O)NC(CC(=O)c3ccc(C)cc3)(c3ccc(OCCCC(F)(F)F)cc3)C(F)(F)F)c2=O)cc1
38170 CCOc1ccccc1-n1c(N)c2c(C)nnc2nc1SCC(=O)Nc1ccc(CC)cc1 |(5.75,2.31,;7.08,1.54,;8.41,2.31,;8.41,3.85,;7.08,4.62,;7.08,6.16,;8.41,6.93,;9.75,6.16,;9.75,4.62,;11.08,3.85,;12.42,4.62,;12.42,6.16,;13.75,3.85,;15.21,4.32,;15.69,5.78,;16.11,3.08,;15.21,1.84,;13.75,2.31,;12.42,1.54,;11.08,2.31,;9.75,1.54,;9.75,,;8.41,-.77,;7.08,,;8.41,-2.31,;7.08,-3.08,;7.08,-4.62,;5.75,-5.39,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-3.08,;5.75,-2.31,)|
38171 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc(C)c1Cl
38172 COc1ccc(cc1)N1CCN(CCNS(=O)(=O)c2cccc3nsnc23)CC1
38173 O=c1oc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc12
38174 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)c2ccc(CO)cc2)cc(C)c1Cl
38175 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1Cl
38176 Cc1ccc(cc1)C1=C(C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)n1nn[nH]c1=O |r,t:8|
38177 Cc1occc1C(=O)Nc1nnc(s1)C(F)(F)F
38178 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(Br)cc1
38179 COc1ccc(cc1)C1=C(C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)n1nn[nH]c1=O |r,t:9|
38180 Cc1occc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
38181 FC(F)Oc1ccc(cc1)C1=C(C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)n1nn[nH]c1=O |r,t:11|
38182 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccncc2)cc(C)c1Cl |$;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;;;$|
38183 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccno2)cc(C)c1Cl
38184 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccnc2)cc(C)c1Cl
38185 Cc1ccoc1C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
38186 Cc1ccc(o1)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2ccccc2c1CCCOc1cc(C)c(Cl)c(C)c1
38187 CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1
38188 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccoc2)cc(C)c1Cl
38189 Cc1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1Cl
38190 Cc1cc(C(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c(C)o1
38191 COc1ccc(cc1)C1=C(C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F)n1nn[nH]c1=O |r,t:9|
38192 CC(C)n1ccc(n1)C1=C(C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)n1nn[nH]c1=O |r,t:9|
38193 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc3ccccc3c2)cc(C)c1Cl
38194 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)\C=C\c2ccccc2)cc(C)c1Cl
38195 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)CCc2ccccc2)cc(C)c1Cl
38196 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(c2)-c2ccccc2)cc(C)c1Cl
38197 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccc(Oc3ccccc3)cc2)cc(C)c1Cl
38198 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Cl
38199 Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F |r,c:28|
38200 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)Cc2ccc(Br)cc2)cc(C)c1Cl
38201 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)NC(=O)c2cccn2C)cc(C)c1Cl
38202 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2ccco2)cc(C)c1Cl
38203 Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc12
38204 Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(n2)C2CCC2)=C(C(=O)N1)n1nn[nH]c1=O)C(F)(F)F |r,c:29|
38205 Cc1cc(OCCCc2c([nH]c3ccccc23)C(=O)NS(=O)(=O)CCNC(=O)c2nccn2Cc2ccccc2)cc(C)c1Cl
38206 CCc1ccc(CC(=O)NCCS(=O)(=O)NC(=O)c2[nH]c3ccccc3c2CCCOc2cc(C)c(Cl)c(C)c2)cc1
38207 CCn1ccc(n1)C1=C(C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F)n1nn[nH]c1=O |r,t:8|
38208 CC(C)n1ccc(n1)C1=C(C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1F)C(F)(F)F)n1nn[nH]c1=O |r,t:9|
38209 C[C@@H](NC(=O)c1ccc(s1)C1(C)CCSC(N)=N1)c1ccccc1 |r,c:17|
38210 O=C(C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)N1CCCC1
38211 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Br)cc2)c1 |c:6|
38212 Cc1cc2c(cc(=O)oc2c2CCCNc12)C(F)(F)F
38213 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2nc3ccccc3s2)c1 |c:6|
38214 Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(NC(=O)c2ccccc2F)cc1
38215 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccco2)c1 |c:6|
38216 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2ccc(Cl)cn2)c1 |c:6|
38217 Cc1[nH]c2ccccc2n2c1cc(CC(O)=O)c2=O
38218 CC1(CCSC(N)=N1)c1cc(Cl)cc(NC(=O)c2cc3ccccc3s2)c1 |c:6|
38219 Cn1c(OC2CCN(CC2)c2cccc(CN3CCCCC3)c2)nc(cc1=O)-c1ccncn1
38220 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(Br)cn2)c1 |c:6|
38221 NC1=NC(CCS1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1 |t:1|
38222 Cc1cc(C)c(o1)C(=O)Nc1cc(Br)cc(c1)C1(C)CCSC(N)=N1 |c:25|
38223 CC(C)(C)c1ccccc1OCCCCCNCCO
38224 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |c:6|
38225 Cc1n[nH]c(=S)n(N=Cc2ccccn2)c1=O |w:7.6|
38226 CC1(CCSC(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1Cl |c:6|
38227 CCn1c2ccccc2c2cc(CN3CCN(CC3)C(=O)c3ccco3)ccc12
38228 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ccc(cn2)C(N)=O)c1 |c:6|
38229 CC1(CCSC(N)=N1)c1cccc(NC(=O)c2ncc(Cl)cc2Cl)c1 |c:6|
38230 Cc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CCSC(N)=N1 |c:24|
38231 CC(C)Oc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:28|
38232 COc1cc(NC(=O)c2ccc(Cl)cn2)cc(c1)C1(C)CCSC(N)=N1 |c:26|
38233 COc1cc(ccc1OCc1ccccc1)-c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO
38234 Cn1cnc2cc(\C=C\C(=O)NO)ccc12
38235 CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1F
38236 Cn1c(CCc2ccccc2)nc2cc(\C=C\C(=O)NO)ccc12
38237 ONC(=O)\C=C\c1ccc2n(Cc3ccccc3)c(CCc3ccccc3)nc2c1
38238 CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
38239 CCc1ccc(cc1)-c1ccc(CNCCCP(O)(O)=O)nc1-c1ccccc1
38240 Cc1cc(OCC(=O)NCCO)cc(C)c1Cl
38242 CN(CCCC(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 |r|
38243 C[C@@H](Cc1ccc(NC(=O)CCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
38245 Cc1ccccc1-c1nc2cc(N)ccc2o1
38246 OCCCN(Cc1nnnn1Cc1ccc(F)cc1)Cc1cc2cc3OCOc3cc2[nH]c1=O
38247 CC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
38248 CCc1cc2c(oc(C)c(-c3nc4ccccc4n3C)c2=O)c(CN2CCN(C)CC2)c1O |(15.91,3.9,;15.92,2.36,;14.59,1.58,;13.19,2.37,;11.82,1.55,;11.82,.01,;10.48,-.76,;9.15,.01,;7.82,-.76,;9.15,1.55,;7.82,2.32,;7.66,3.84,;6.16,4.16,;5.39,5.5,;3.85,5.5,;3.08,4.16,;3.85,2.83,;5.39,2.83,;6.42,1.69,;6.1,.19,;10.48,2.32,;10.48,3.86,;13.19,-.82,;13.18,-2.36,;14.5,-3.14,;15.84,-2.39,;17.17,-3.17,;17.15,-4.71,;18.47,-5.5,;15.81,-5.47,;14.48,-4.68,;14.59,-.02,;15.92,-.8,)|
38249 Cc1ccccc1Cn1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)-c2ccco2)cn1
38250 N#C\C(=C/C1CCC=CC1)c1nc2ccccc2[nH]1 |c:7|
38251 CC(=NCc1ccco1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:2.2|
38252 CC(C)NC(=O)C1CCN(CC1)c1nc(C)cc(n1)-c1ccccc1
38253 COc1cc(ccc1-n1cnnn1)C(=O)Nc1ccc2OCOc2c1
38254 Cc1ccc(cc1C)S(=O)(=O)NCCN1CCOCC1
38255 COCCNC(=O)c1cnn2c(cc(nc12)-c1ccc2OCOc2c1)C(F)(F)F
38256 Nc1nc(N)c2sc3nc4CCCc4cc3c2n1
38257 OC(=O)c1cccn2c1nc1ccccc1c2=O
38258 CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1cc2ccc(C)cc2[nH]c1=O |c:15,t:12|
38259 CCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1
38260 CN(C)CCSc1nnc(o1)-c1ccccc1
38261 FC(F)(F)c1cc(nc(SCc2ccncc2)c1C#N)-c1ccco1
38262 CC(C)(C)CC(=O)Nc1nnc(s1)-c1cccs1
38263 COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1
38264 CCN(CC)CCCN(Cc1cc2cc3OCOc3cc2[nH]c1=O)C(=O)Nc1ccccc1OC
38265 Cc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cc3cc4OCOc4cc3[nH]c2=O)cc1
38266 CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccccc2)s1
38267 CCCC(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)CCC
38268 Cc1ccc2nc([nH]c2c1)-c1ccc(SCC(O)=O)nc1
38269 CC(C)C(OC(=O)CN1C(=O)COc2ccccc12)C(=O)NC1CCCC1
38270 Cn1ncc2c(Nc3ccc(cc3)-c3ccccc3)ncnc12
38271 O=C(NC1CCCCC1)N(CCN1CCCC1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
38272 CCOc1nc(ccc1-c1noc(n1)-c1ccc(OC)c(OC)c1)-c1ccccc1
38273 COc1ccc(cc1)-c1nsc2c(ncnc12)N1CCN(CC1)C(=O)c1ccco1
38274 COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1ccc2OCOc2c1 |c:12,t:15|
38275 Cc1cccc2cc(CN(Cc3ccco3)S(=O)(=O)c3ccc4OCCOc4c3)c(=O)[nH]c12
38276 Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1
38277 OC(=O)CCn1nnc(n1)-c1cccs1
38278 ClC1=C(NCC2CCCO2)C(=O)N(Cc2ccccc2)C1=O |c:1|
38279 c1ccc(cc1)-c1nc2nonc2c2nc3ccccc3n12
38280 CCN(CC)CCCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)Nc1ccccc1
38281 CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccc(OC)cc1
38282 CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cc(C)ccc1C
38283 Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)C1CCCCC1
38284 O=C(Nc1ccc(cc1)N1CCCCC1)c1cccnc1
38285 COCCn1nnnc1CN(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O
38286 CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
38287 CCCOC(=O)Cc1n[nH]c(=O)[nH]c1=O
38288 COc1ccccc1N1CCN(CC1)C(=O)CSc1nnc(NC(=O)c2ccco2)s1
38289 COc1cccc(c1)C(=O)Nc1ccc(NC(=O)C(C)C)nc1
38290 COc1ccc(cc1)-c1cc(nc(SCCC(=O)Nc2cc(C)on2)n1)C(F)(F)F
38291 COc1ccc(cc1)-c1ccc(cc1)-c1nnc(o1)-c1ccncc1
38292 O=C(CSc1nnnn1Cc1ccccc1)NCCc1ccccc1
38293 CCCc1nnc(NC(=O)CN2CCOCC2)s1
38294 Nc1cc(N)cc(c1)-c1nc2ccccc2[nH]1
38295 COCCN(Cc1cc2cc3OCOc3cc2[nH]c1=O)C(=O)c1cccs1
38296 Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2nc(cc2n1)-c1cccc(Cl)c1
38297 CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1C(C)C
38298 CC(C)(C)n1nnnc1C(N1CCN(CC1)c1ccccc1)c1cc2cc3OCOc3cc2[nH]c1=O
38299 Cc1ccc(cc1)S(=O)(=O)N1CCOCC(=O)NCCOCCNC(=O)COCC1
38300 COC(=O)c1c(Cl)n2cnccc2c1C(=O)OC
38301 OC(=O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O
38302 COc1cc(cc(OC)c1OC)-c1nc2cnccc2n1C
38303 CN(C)CC(C)(C)COC(=O)c1oc2ccccc2c1C
38304 COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1C
38305 Cc1nc(NCCN)c(C#N)c2CC(C)(C)OCc12
38306 COc1cc2CC(C)(C)N=C(CC(=O)N3CCOCC3)c2cc1OC |t:9|
38307 CCOC(=O)c1cncc(NC(=O)c2ccccc2)c1
38308 CCOC(=O)COc1ccc2nsnc2c1Cl
38309 CCOC(=O)N1CCN(CC1)C(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
38310 CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
38311 CC(C)c1nc(NCC2CCCO2)c(C#N)c2CC(C)(C)OCc12
38312 CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O
38313 Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2OCOc2c1
38314 COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1
38315 COC(=O)c1ccc(Nc2cc(C)nc(n2)-c2ccccc2O)cc1
38316 COc1ccc2N3C(=O)N(c4ccccc4)C(C)(CC3(C)C)c2c1 |TLB:8:7:19.18:22.5,23:22:19.18:9.7,THB:10:9:19.18:22.5,4:5:19.18:9.7|
38317 CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N
38318 Fc1ccc(cc1)C(=O)N1CCC(CC1)N1CCCCCC1
38319 COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1
38320 Cn1c(NC(=O)c2ccccc2NC(=O)c2ccco2)nc2ccccc12
38321 COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccco1
38322 C\C(C=Nn1cnnc1)=C/c1ccco1 |w:3.3|
38323 CCc1cc2c(cc1OC(=O)N1CCOCC1)occ(-c1nc3ccccc3[nH]1)c2=O
38324 OCCNc1ncnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1
38325 COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccccn1
38326 COc1ccccc1-c1nnc2sc(nn12)-c1ccc(cc1)N(C)C
38327 Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1N=Cc1cccnc1 |w:22.25|
38328 CCCn1c(C)nc2n(-c3ccc4OCCOc4c3)c3nc4ccccc4nc3c2c1=O
38329 COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(CC1)c1ccccc1OC
38330 COc1ccc(CCn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1OC
38331 Nc1c(c2nc3ccccc3nc2n1Cc1ccc2OCOc2c1)S(=O)(=O)c1cccs1
38332 Fc1ccccc1C(=O)N(Cc1ccccc1)C1CCS(=O)(=O)C1
38333 O=C(CSc1ncnc2n(ncc12)-c1ccccc1)Nc1ccc2OCOc2c1
38334 CCCN1C(=O)C(NC(C)=O)c2cc(OC)ccc12
38335 Cc1ccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc2c1
38336 Cc1ccc(cc1C)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CC2CCCO2)c1=N
38337 Cn1c2nc(NC3CCCCC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
38338 Cc1cc(C)n(n1)-c1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc1cccc(C)c1
38339 Cc1nn2c(cc(C)nc2c1-c1ccccc1)N1CCN(CC1)C1CCCC1
38340 CC(C)Cn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc2OCOc2c1
38341 COC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1
38342 COc1cc(CNc2ccc(N3CCOCC3)c(c2)C(O)=O)ccc1OCC(N)=O
38343 O=P1(COc2ccccc2OC1)NC1CCCC1
38344 Cc1nc2oc3c(NCc4ccccn4)ncnc3c2c2CC(C)(C)OCc12
38345 Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2CC(C)(C)OCc12
38346 Cc1cc(C)c2c(nn3c(cc(C)nc23)N2CCN(CC2)c2ccccc2)n1
38347 COC(=O)c1sc2nc(ccc2c1N)-c1ccco1
38348 CC(C)c1nc2oc3c(NCc4ccccn4)ncnc3c2c2CC(C)(C)OCc12
38349 CN(c1nc2ccccc2n2c(nnc12)-c1ccco1)S(=O)(=O)c1ccccc1
38350 CCCN(CC(=O)c1cc(C)n(C)c1C)S(=O)(=O)c1cccc(c1)C(F)(F)F
38351 CN(C)S(=O)(=O)c1cccc(c1)C(=O)C1=C2SC=C(N2CC1)c1ccccc1 |c:15,18|
38352 O=C(COc1cnc2ccccc2n1)NCCC1=CCCCC1 |t:19|
38353 CCOC(=O)c1c(C)c(C)sc1Nc1nc(C)c(s1)C(=O)NC
38354 C1CN(CCN1c1ccccn1)c1cnccn1
38355 Cn1c(nc(c1-c1ccccc1)-c1ccccc1)N1CCOCC1
38356 CCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
38357 COc1ccc(cc1)-c1cc(C(=O)OCC(=O)N(C)C)c2ccccc2n1
38358 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1nc(O)cn1C |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
38359 Cc1coc2cc3oc(=O)c4CCCc4c3cc12
38360 O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1
38361 O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
38362 Clc1c(sc2ccccc12)-c1nnc2CCCn12
38363 CCc1cc(C(Cc2ccc3ccccc3n2)N=O)c(O)cc1O
38364 CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)c1C
38365 Cc1cc(C(=O)CSc2nnnn2-c2ccc(Cl)cc2)c(C)n1CC1CCCO1
38366 O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
38367 Cc1noc(C)c1CSc1nc2ccccc2s1
38368 CCN(CC)C(=O)c1sc2nc([nH]c(=O)c2c1C)-c1ccccn1
38369 CC(Oc1cc2oc(=O)cc(C)c2cc1Cl)C(O)=O
38370 Cc1ccc(c(C)c1)-n1c(SCC(=O)NCc2ccco2)nnc1-c1cccnc1 |(14.43,-5.44,;14.43,-3.9,;15.76,-3.13,;15.76,-1.59,;14.43,-.82,;13.1,-1.59,;11.76,-.82,;13.1,-3.13,;14.43,.72,;13.18,1.62,;11.72,1.15,;10.57,2.18,;9.11,1.7,;8.79,.19,;7.97,2.73,;6.5,2.26,;5.36,3.29,;5.52,4.82,;4.11,5.44,;3.08,4.3,;3.85,2.97,;13.66,3.09,;15.2,3.09,;15.68,1.62,;17.14,1.15,;17.46,-.36,;18.92,-.84,;20.07,.19,;19.75,1.7,;18.28,2.18,)|
38371 COc1cc(cc(OC)c1O)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:17,19|
38372 COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NCc1ccco1
38373 CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
38374 Cc1cc(O)cc(C)n1
38375 Cn1c(nc2ccccc12)-c1ccc(N)cc1
38376 CCOc1ccc(cc1OC)C(O)=O
38377 CCCn1c2nnc(SCC(=O)C(C#N)C(C)=N)n2c2ccccc2c1=O
38378 Cc1cc(=O)[nH]c(NC(N)=Nc2cccc3ccccc23)n1 |w:10.10|
38379 COCCn1c(C)cc(C(=O)COc2nc3ccccc3nc2C)c1C
38380 CC(C)CNC(=O)COc1ccc2c3CCCc3c(=O)oc2c1
38381 COc1ccc2N(C(C)=O)S(=O)(=O)c3ccccc3-c2c1
38382 CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)-c1cc2ccccc2o1
38383 O=NC1=C(Cc2ccco2)CCC1 |c:2|
38384 CCOC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O
38385 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc3CN(CCOC)C(=O)c23)cc1
38386 Cc1ccc2cc3cc(oc3nc2c1)C(=O)N1CCCCCC1
38387 CC(NC(=O)c1cccc(c1)N1CCCC1=O)c1ccc2OCCOc2c1
38388 CCOC(=O)c1sc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2c1C
38389 Brc1ccc(o1)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
38390 Cc1cccc(C)c1NC(=O)C(N1CCN(CC1)C(=O)c1ccco1)c1ccccc1
38391 CCc1ccc(s1)S(=O)(=O)NCc1cn2ccsc2n1
38392 COc1ccc(cc1OC)-c1coc2cc(O)ccc2c1=O
38393 O=C(NCC1CCCO1)c1coc2nc3ccccc3nc12
38394 Fc1ccccc1N1CCN(CCCn2c(=S)[nH]c3ccc(cc3c2=O)N2CCOCC2)CC1
38395 COCCn1cc(C(=O)NCCCN2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O
38396 Cc1cc(C)c2c(C)[nH]c(=O)cc2c1
38397 O=C(N1CCCCC1)c1noc2CCCCc12
38398 O=C(NCc1cccnc1)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O
38399 O=C(CN1CCCC1)N1CCCc2c1c(=O)oc1ccc(OCc3ccccc3)cc21
38400 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)cc1
38401 COc1ccc(cc1OC)C(=O)NCc1cn2c(C)csc2n1
38402 FC(F)(F)c1cc(nc(n1)-n1nnc2ccccc12)-c1ccco1
38403 COc1ccc(cc1Cl)-n1nc(C(=O)NCc2ccco2)c2c3ccccc3n(C)c2c1=O
38404 COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC
38405 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)C1CCC(=O)N1
38406 CCOC(=O)N1CCN(CC1)C(=O)CCc1c(C)nc2n(nc(C)c2c1C)-c1ccc(C)c(C)c1
38407 COc1cccc(Cn2c(=S)[nH]c3ccc(cc3c2=O)N2CCOCC2)c1
38408 CN(C)C(=O)N1CCC(CC1)C(=O)NCc1cccs1
38409 COC(=O)Sc1nnc(o1)-c1ccc(Br)cc1
38410 COc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
38411 Cc1ccccc1Cc1c(C)nc2c(cnn2c1C)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
38412 O=C(CC1NC(=O)NC1=O)N(c1ccccc1)C1(CCCCC1)C(=O)NC1CCCC1
38413 FC(F)(F)c1ccc(NS(=O)(=O)c2c[nH]cn2)cc1
38414 COCCCn1c(=S)[nH]c2ccc(cc2c1=O)N1CCOCC1
38415 Cc1cnc(SCCc2ccncc2)nc1C
38416 Cc1cc(C)n2nc3nc(nc(-c4ccco4)c3c2n1)N1CCCCC1
38417 COc1cccc(c1)C(=O)OCn1nnc2ccccc2c1=O
38418 COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC
38419 CC(O)COc1ccc(cc1)C(N=O)c1ccccc1
38420 CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1
38421 O=c1n(Cc2ccccn2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
38422 CCCCCn1c(SCC#N)nc2cc(ccc2c1=O)C(=O)NCC1CCCO1
38423 Cc1nc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1
38424 CCOC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
38425 Cc1csc2nc(CNS(=O)(=O)c3cc(C)c(C)cc3C)cn12
38426 Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)N(CCN2CCOCC2)C2=C1C(=O)CC(C)(C)C2 |c:29,t:9|
38427 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(C(C)C)\c1=N/C(=O)c1ccncc1
38428 CCn1c2ccccc2c2nc3cc(OC)c(OC)cc3nc12
38429 COc1ccc(cc1)C(O)Cn1c2ccccc2n(CCCN(C)C)c1=N
38430 Fc1ccccc1-c1noc(CCC(=O)NCCN2CCc3ccccc3C2)n1
38431 COc1ccc2nc3oc(cc3cc2c1)C(=O)NCc1cccs1
38432 Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCCCCC1)C(=O)NC1CC1
38433 CC(=O)NCCn1c(SCc2cc(=O)n3cc(Cl)ccc3n2)nc2ccccc2c1=O
38434 O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2OCCOc2c1
38435 CCn1c2c(CCCC2=O)c2cc(ccc12)C(O)=O
38436 COC(=O)c1ccc(COc2ccc3c4CCCc4c(=O)oc3c2)o1
38437 CC(=O)c1cccc(NC(=O)Nc2cccnc2)c1
38438 COc1ccc(cc1)-c1c2CCCc2nc2sc(C(=O)Nc3cc(C)on3)c(N)c12
38439 CC1CCN(CC1)C(=O)COc1ccc2oc(=O)cc(C)c2c1
38440 COc1cc2c(cc1NC(=O)c1ccc3OCOc3c1)oc1ccccc21
38441 CCOc1ccc(cc1)N1CC(CC1=O)C(=O)OC
38442 Cc1cc(nc2cc(nn12)C(N)=O)-c1ccccc1
38443 CCc1nnc2sc(nn12)-c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1
38444 Cc1nc2cc(NC(=O)NCc3ccco3)ccc2n1C
38445 C=CCNc1nc(nc2ccccc12)N1CCCC1
38446 CC1(C)Cc2nc3sc4c([nH]cnc4=O)c3cc2CS1
38447 COc1cc(NC(=O)c2ccc3OCOc3c2)c2ncccc2c1
38448 CC(C)(CO)NC(=O)C(c1ccccc1)c1ccccc1
38449 COC(=O)c1c(NC(=O)c2ccoc2C)sc2CCCc12
38450 Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(-c2ccccc2)n1C
38451 Cc1ccccc1CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
38452 O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCOCC1
38453 CC(C)c1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
38454 [#6]C1([#6])[#6](\[#6]=[#6](\Cl)Cl)-[#6]1-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1ccccc1
38455 O=C(Nc1ccc(cc1)-c1nc2ncccc2o1)c1ccco1
38456 CCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1
38457 CCOc1ccccc1OCC(=O)Nc1ccc(cc1)N1CCCCC1
38458 CCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1
38459 CC(C)CC(=O)NCC(C)NC(=O)CC(C)C
38460 COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1oc2ccccc2c1C
38461 COc1ccc(cc1)-c1cc(nc(SCCC(=O)N2CCN3CCCC3C2)n1)C(F)(F)F
38462 CSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1
38463 COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)C(=O)N1CCC2(CC1)OCCO2)C(F)(F)F
38464 CCCCC(=O)Nc1ccc(cc1)C(N)=O
38465 O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCOCC1
38466 CN1CCN(CCNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)CC1
38467 CC1CC(C)CN(CCCNC(=O)Cn2ncc3c2c2ccccc2oc3=O)C1
38468 COc1cccc2cc3c(nn(-c4ccccc4)c3=O)oc12
38469 CCN(CCNC(=O)C1CCN(CC1)c1nnc(s1)-n1cccc1)c1ccccc1
38470 CCOc1cc2[nH]c(=O)n(Cc3ccc(cc3)C(=O)NCCOC)c(=O)c2cc1OCC
38471 COc1ccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c(OC)c1
38472 Clc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1ccco1
38473 CCOc1ccc(cc1)N(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1c(C)noc1C
38474 O=C1CC(c2cccnc2)c2cc3OCOc3cc2N1
38475 CCOc1ccc(cc1)N(CC(=O)NC1CCCC(C)C1C)S(=O)(=O)c1c(C)noc1C
38476 Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCN(Cc5ccccc5)CC4)c3c2c1
38477 Cc1cc(C)c2c(n1)sn(CC(=O)N1CCC(Cc3ccccc3)CC1)c2=O
38478 COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nnc2scc(-c3ccccc3)n12
38479 COc1ccc(cc1)C1CC(c2cccc(C)c2)n2nc(N)nc2N1
38480 C\C=C\Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)N(C)Cc1ccccc1
38481 CCc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1
38482 Cc1cccc(c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C
38483 Cn1c2c(F)cccc2s\c1=N/C(=O)c1ccco1
38484 COC(=O)Cn1c2ccccc2sc1=NC(=O)CSC(C)=O |w:14.16|
38485 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)NCc1ccc2OCOc2c1
38486 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)NCC1CCCO1
38487 CC1Cc2nc(SCC(=O)Nc3ccc4OCOc4c3)n(CCc3ccccc3)c(=O)c2S1
38488 Cc1cc(O)c(C=Nc2cccc(Cl)c2)c(=O)o1 |w:7.7|
38489 COc1ccccc1CNc1ncnc2nc[nH]c12
38490 COc1ccc(c(OC)c1)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
38491 Cc1csc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n12
38492 Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(C)cc1 |w:4.4|
38493 COc1ccccc1NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC |(3.08,3.08,;4.41,2.31,;4.41,.77,;3.08,,;3.08,-1.54,;4.41,-2.31,;5.75,-1.54,;5.75,,;7.08,.77,;8.41,,;8.41,-1.54,;9.75,.77,;11.08,,;12.42,.77,;12.42,2.31,;13.75,3.08,;13.75,4.62,;15.08,2.31,;15.08,.77,;16.42,,;13.75,,;13.75,-1.54,;15.08,-2.31,;15.08,-3.85,;13.75,-4.62,;12.42,-3.85,;12.42,-2.31,;11.08,-1.54,;9.75,-2.31,)|
38494 Cc1c(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
38495 CN(C)C(=O)Nc1cnc2ccccc2c1
38496 CCOC(=O)c1c(C)n(OCc2ccccc2)c2ccc3n([O-])[o+]nc3c12
38497 CCOC(=O)c1c(CC(C)C)csc1NC=O
38498 Nc1cc(ccc1Nc1ccccc1)C(O)=O
38499 S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1 |c:18|
38500 CCN(CC)c1ccc(C=Nn2c(=S)[nH]nc(C)c2=O)cc1 |w:10.10|
38501 Clc1cccc(c1)-c1ccc(C=Nn2cnnc2)o1 |w:12.13|
38502 COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12
38503 CC(C)(O)P(C)(=O)c1ccccc1
38504 Cc1oc2cc(O)ccc2c(=O)c1N1C(=O)c2ccccc2C1=O
38505 CC1=C(C(C2C(=O)CCCC2=N1)c1ccncc1)C(=O)OCC1CCCO1 |c:11,t:1|
38506 COc1cccc(C=Nn2c(C)nnc2C)c1OC |w:8.8|
38507 Cc1ccc(cc1)-c1cc(n2ncc(C(=O)NCc3ccco3)c2n1)C(F)(F)F
38508 Cc1cc(N2CCOCC2)c2c(N)c(Br)cc(C)c2n1
38509 O=c1cccccc1NCc1ccccc1
38510 CCOC(=O)C(Cc1ccccc1)C(=O)Nc1nccs1
38511 CC(=C)Cn1c(COc2ccccc2)nnc1SCC(O)=O
38512 CCC(=O)Nc1nnc(Sc2ccc(cc2)N(C)C)s1
38513 Fc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCCC1)C(F)(F)F
38514 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cccc(C)c2C)c1
38515 CCS(=O)(=O)N1CCN(CC1)C1CCC(C)CC1 |(9.68,.83,;11.01,1.6,;11.01,3.14,;9.47,3.14,;12.55,3.14,;11.01,4.68,;12.34,5.45,;12.34,6.99,;11.01,7.76,;9.68,6.99,;9.68,5.45,;11.01,9.3,;12.34,10.07,;12.34,11.61,;11.01,12.38,;11.01,13.92,;9.68,11.61,;9.68,10.07,)|
38516 [H]C12CC(CN3CCN(CC3)C(=O)COc3ccccc3)C([H])(C1)C=C2 |c:27,THB:4:3:23:24.25|
38517 CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(CC1)C(=O)c1ccco1
38518 Cc1cc(N2CCN(CC2)C(=O)c2ccco2)n2ncnc2n1
38519 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cccc(C)c2)c1
38520 O=C(CN1CCN(CC1)c1ncccn1)NCCC1=CCCCC1 |t:20|
38521 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2cc(C)ccc2C)c1
38522 CCOc1ccccc1CN1CCN(CC1)S(=O)(=O)CC
38523 CCN(CC)C(=O)CN1CCN(CC1)c1ccccc1F
38524 CC(C)NC(=O)CSc1nnc(-c2ccc(cc2)S(=O)(=O)N2CCCC2)n1CC1CCCO1
38525 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C)CC2)cc1
38526 CCOc1ccc(OCC)c(NC(=O)CN2CCN(C(C)C2)c2cccc(C)c2)c1
38527 Fc1ccc(NC(=O)N2CCC(CC2)c2nc3n(Cc4cccc(Cl)c4)nnc3c(=O)[nH]2)cc1
38528 O=C(CN1CCN(CC1)C1CCCCC1)Nc1ccccc1-c1ccccc1
38529 O=C(CN1CCN(CC1)c1ncccn1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
38530 null
38531 Oc1c(CN2CCCCC2)c(=O)oc2ccccc12
38532 CC(C)C1Oc2ccccc2N(CC(=O)NCCCN2C(C)CCCC2C)C1=O
38533 Fc1ccc(cc1)N(Cc1ccccc1)C(=O)CN1CCN(CC1)c1ncccn1
38534 CCOC(=O)N1CCN(Cc2cn3ccccc3n2)CC1
38535 Cc1nnc(SCCN2CCOCC2)n1C
38536 CCCCn1c(Cl)nc2n(C)c(=O)n(C)c(=O)c12
38537 O=C(CN1CCN(CC1)C1CCCCC1)NCCC1=CCCCC1 |t:20|
38538 CCOc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC
38539 CCCCOc1ccc(NC(=O)CN2CCN(CC2)C(=O)OCC)cc1
38540 Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1
38541 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC2)c2ccc(C)cc2C)c1
38542 COc1cccc(C(=O)N2CCN(CC2)C2CCC(CC2)c2ccccc2)c1OC |(2.16,.95,;2.16,2.49,;3.49,3.26,;4.83,2.49,;6.16,3.26,;6.16,4.8,;4.83,5.57,;4.83,7.11,;3.49,7.88,;6.16,7.88,;6.16,9.42,;7.5,10.19,;8.83,9.42,;8.83,7.88,;7.5,7.11,;10.16,10.19,;11.5,9.42,;12.83,10.19,;12.83,11.73,;11.5,12.5,;10.16,11.73,;14.16,12.5,;15.5,11.73,;16.83,12.5,;16.83,14.05,;15.5,14.82,;14.16,14.05,;3.49,4.8,;2.16,5.57,;.83,4.8,)|
38543 Cc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1ccco1
38544 COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1O
38545 CCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
38546 COCCCn1c(SCC(=O)NCc2ccco2)nc2sc3CCCc3c2c1=O
38547 CN(CCC(=O)Nc1ccc2OCOc2c1)Cc1ccccc1
38548 COc1ccccc1OCc1nnc(SCCN2CCOCC2)o1
38549 OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
38550 Cc1cc(=O)n([nH]1)-c1ccccc1
38551 CCCCCC1CC(CC#CCN2CCOCC2)C(=O)O1
38552 Nc1c2CCN(C3CCCCC3)c2nc2ccccc12
38553 Nc1c2CCN(c2nc2ccccc12)c1ccccc1
38554 ONC(=N)CCN1CCOCC1
38555 COc1cccc(OC)c1OCC(C)CNCC1CCCO1
38556 CCCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OC |c:9|
38557 CCOc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccco1
38558 O=C(N1CCC(CC1)N1CCN(CC1)c1ccccc1)c1cccs1
38559 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCCCC1
38560 O=C(N1CCC(CC1)N1CCN(CC1)c1ccccc1)c1cccc2ccccc12
38561 COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccc(C)c(Cl)c1
38562 COc1ccccc1N1CCN(CC1)C1CCN(CC1)C(=O)c1cc(OC)c(OC)c(OC)c1
38563 COc1cc(OC)cc(c1)C(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1
38564 CC1CN(CC(C)O1)C1CCN(CC1)C(=O)c1ccccc1Cl
38565 O=C(CSc1nc(ccc1C#N)-c1cccnc1)Nc1sc2CCCc2c1C#N
38566 COc1ccc(cc1OC)C(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1
38567 COc1ccccc1N1CCN(CC1)C1CCN(CC1)C(=O)c1cccs1
38568 COc1ccc(CN(C)CCc2ccccn2)c(OC)c1OC
38569 COc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(C)cc1
38570 COc1cccc(C(=O)N2CCN(Cc3ccccn3)CC2)c1OC
38571 CN(CCc1ccccn1)C(=O)COc1ccc(C)cc1
38572 CN1CCN(CC1)c1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc2ccccc12
38573 COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
38574 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)cc1 |c:23|
38575 COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:23|
38576 O=C(CCc1ccc(cc1)S(=O)(=O)N1CCOCC1)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
38577 O=C(COC(=O)C1=COCCO1)N1CC(=O)Nc2ccccc12 |t:6|
38578 COc1ncnc(OC)c1NC(=O)c1ccc(F)cc1
38579 O=C(NCc1cn2ccccc2n1)c1ccccc1
38580 O=c1n(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nnc2ccccc12
38581 Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)c1cccc(C)c1
38582 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CCc2ccccc2C1
38583 O=C(COC(=O)Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NCc1ccccc1
38584 C(Sc1nnc2ccccn12)c1ccc2OCOc2c1
38585 CN1C(=CC(=O)COC(=O)c2c(C)noc2C)C(C)(C)c2ccccc12 |w:3.3|
38586 CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12
38587 Cc1nn(c2Sc3nc4ccccc4n3C(O)c12)-c1ccccc1
38588 CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1
38589 Cc1ccc(cc1)-c1csc2n[nH]c(=S)n12
38590 Cc1cc(C)n(CCCNCC(O)c2ccccc2)n1
38591 COc1ccccc1COCC(O)CNCC1(CCCCC1)N1CCCCC1
38592 Cn1c(SCCOc2cccc(Cl)c2)nnc1-c1ccncc1
38593 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
38594 O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1
38595 Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
38596 CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Br)o1
38597 COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1
38598 COc1cc(CN(C)CCc2ccccn2)cc(OC)c1OC
38599 COc1cc(OC)c(OC)cc1CN(C)CCc1ccccn1
38600 COc1ccccc1C(=O)NCCc1nc2ccccc2n1C
38601 Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C |(3.57,4.68,;4.6,3.53,;4.12,2.07,;5.15,.92,;6.65,1.24,;7.68,.09,;7.2,-1.37,;8.1,-2.61,;9.64,-2.61,;10.41,-1.28,;11.95,-1.28,;12.72,-2.61,;11.95,-3.94,;10.41,-3.94,;9.64,-5.28,;7.2,-3.85,;7.68,-5.31,;5.75,-3.38,;4.41,-4.15,;3.08,-3.38,;3.08,-1.84,;4.41,-1.07,;5.75,-1.84,;7.13,2.7,;6.1,3.85,;6.58,5.31,)|
38602 COc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c3cccc4nonc34)sc2c1
38603 COc1ccc(c(OC)c1)-n1c(=O)n(CC(=O)NCc2ccco2)c2sc3CCCc3c2c1=O |(3.08,-5.84,;3.55,-4.37,;5.06,-4.05,;6.09,-5.19,;7.6,-4.86,;8.07,-3.39,;7.03,-2.25,;7.5,-.79,;6.47,.35,;5.53,-2.58,;9.57,-3.07,;10.07,-1.54,;9.04,-.39,;11.64,-1.22,;12.13,.24,;13.64,.54,;14.66,-.62,;14.13,2,;15.64,2.3,;16.14,3.76,;15.25,5.02,;16.17,6.25,;17.62,5.76,;17.61,4.22,;12.69,-2.43,;14.23,-2.43,;14.71,-3.89,;15.95,-4.8,;15.47,-6.25,;13.94,-6.25,;13.46,-4.8,;12.22,-3.89,;10.65,-4.25,;10.19,-5.72,)|
38604 CCS(=O)(=O)NCCc1csc(C)n1
38605 Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(C)cc1
38606 COc1cc(Nc2n(Cc3ccco3)c(=O)c3ccc[nH]c23)cc(OC)c1
38607 CCN(CC)S(=O)(=O)c1ccc(Nc2n(Cc3ccccc3)c(=O)c3ccc[nH]c23)cc1
38608 Cc1ccc(cc1)-c1cn2c(n[nH]c2=S)s1
38609 CC(C)c1nn(-c2ccccc2)c(=S)[nH]1
38610 O=C(C1CCCN(Cc2cccnc2)C1)N1CCCCC1
38611 CCn1c(CC(C)C)n[nH]c1=S
38612 COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
38613 COCc1cc(C)c(C#N)c(=S)[nH]1
38614 O=C(CSc1nnc(CNC(=O)c2ccco2)o1)N1CCN(CC1)c1ccccc1
38615 COc1ccc(NC(=O)c2cc(on2)-c2ccccc2OC)cc1
38616 COc1ccc(Cl)cc1NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
38617 CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
38618 CCn1c(SCC(=O)c2ccccc2)nc2CC(C)Sc2c1=O
38619 CCOC(=O)C1CCCN(Cc2cc(Br)c(OC)cc2OC)C1
38620 COc1cccc(OCCCCN2CCCCC2)c1
38621 CCn1nnc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)n1
38622 CN(Cc1ccccc1)Cc1c(F)cccc1F
38623 CCOC(=O)C1CCCN(Cc2ccccc2C)C1
38624 C\C=C(/C)CN1CCN(CC1)c1ccccc1F
38625 CCc1ccccc1OCCCCN1CCCC1
38626 Fc1ccccc1OCCCN1CCOCC1
38627 O=C(C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccncc1)c1ccc2OCOc2c1
38628 CN(CCc1ccccn1)Cc1ccc(C)cc1
38629 COc1ccc(C)cc1NCc1cccc(OC)c1OC
38630 CCOC(=O)CN(C)Cc1c[nH]c2ccccc12
38631 CCOC(=O)CC1N(CCNC1=O)C(=O)Nc1ccccc1
38632 CCOC(=O)C1CCCN(Cc2c(Cl)cccc2Cl)C1
38633 CCCN(CCO)Cc1ccc(Cl)c(Cl)c1
38634 COCC(C)NCc1ccc(C)cc1C
38635 [H]C12CC(CN3CCN(CC3)c3ccccc3)C([H])(C1)C=C2 |c:23,THB:4:3:19:20.21|
38636 OCCN(Cc1ccccc1)Cc1cccc(F)c1
38637 FC(F)(F)c1cccc(c1)N1CCN(Cc2ccoc2)CC1
38638 CN(CCc1ccccn1)Cc1ccc(Cl)cc1
38639 CCOC(=O)C1CCCN(Cc2ccccc2OCC)C1
38640 CCOC(=O)N1CCN(Cc2ccccc2Cl)CC1
38641 CCc1ccc(CN(C)CCc2ccccn2)cc1
38642 COc1ccc(CCNCc2cc(OC)c(OC)cc2OC)cc1OC
38643 C=CCn1cnc2c(NCc3ccccc3)ncnc12
38644 CCOC(=O)C1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1
38645 COc1cc(CN2CCN(CC2)c2ccccc2F)cc(OC)c1O
38646 CCOC(=O)C1CCCN(CCC(C)c2ccccc2)C1
38647 Fc1cccc(F)c1CN1CCN(CC1)c1ccccc1F
38648 OCCN(Cc1ccccc1)Cc1ccccc1F
38649 CCOC(=O)N1CCN(CC1)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1
38650 COc1ccc(CN2CCN(CC2)c2ccccn2)cc1OCc1ccccc1
38651 COc1ccccc1N1CCN(Cc2cc(OC)c(OC)cc2OC)CC1
38652 COc1cc(CNCc2ccc(OC)c(OC)c2OC)cc(OC)c1
38653 [#6]-[#6](-[#8])-[#6]-[#7](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](-[#6])-[#8]
38654 COc1ccccc1\C=C\CN1CCOCC1
38655 CCOC(=O)N1CCN(Cc2ccccc2F)CC1
38656 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(Cn2nnc3ccccc23)c1
38657 CCOC(=O)C1CCN(C\C=C\c2ccccc2OC)CC1
38658 CCOc1ccccc1OCCCCN1CCCC1
38659 OCCN(CC1CCCCC1)Cc1ccccc1
38660 COc1ccc(CCN(C)Cc2ccncc2)cc1OC
38661 CCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
38662 On1c2CCCC(=O)c2nc1-c1ccccc1
38663 COc1ccccc1\C=C\CN1CC(C)OC(C)C1
38664 CCCN(CCO)Cc1cccc(Cl)c1
38665 COc1ccccc1NS(=O)(=O)c1cccc2cccnc12
38666 Cc1cc(NC(=O)c2cc(on2)C2CC2)no1
38667 OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
38668 CC(C)OCCCNC(=O)CN1c2ccccc2S(=O)(=O)C(C)(C)CC1=O
38669 CCOc1ccc2nc(sc2c1)N1CCCC(C1)C(=O)N1CCN(CC)CC1
38670 COc1ccc(cc1)N(CC(=O)NCc1cccs1)S(=O)(=O)c1cccnc1
38671 Cn1cccc1Cc1nnc(SCC(=O)NCc2ccc(F)cc2)n1-c1ccc(F)cc1
38672 CC1CCCC(C1)N1CCN(CC1)C(=O)c1ccc(F)cc1
38673 COc1cc(NC(=O)c2cc(CC(C)C)on2)c(OC)cc1Cl
38674 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)N1CCCC1
38675 Cc1noc(C)c1CSc1nnc(C)c(=O)[nH]1
38676 Cc1cccc(NC(=O)c2cnc3sccn3c2=O)n1
38677 Cc1c(c(=O)n(C)c(=O)n1C)S(=O)(=O)Nc1cccc(Cl)c1
38678 CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C
38679 CCOC(=O)C1CCCN(Cc2cc(OC)c(O)c(OC)c2)C1
38680 CC(C)(C)NCc1cccn1-c1sc2CCCCc2c1C#N
38681 Cc1cccc(CN2CCN(CC2)c2ccccn2)c1
38682 O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC1
38683 C(N1CCCCCCC1)c1c[nH]c2ccccc12
38684 CCOC(=O)C1CCCCN1Cc1ccc(F)c(Br)c1
38685 COc1ccccc1N1CCN(Cc2ccccc2F)CC1
38686 COc1cccc(c1)N1CCN(Cc2cccnc2)CC1
38687 Cc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
38688 Brc1ccccc1OCCCN1CCOCC1
38689 CCN(CC)CCOc1ccc(Br)cc1
38690 CCOc1cc(CN2CCN(CC2)c2ccc(cc2)C(C)=O)ccc1OC
38691 CN(C)CCCOc1ccc(C)cc1Br
38692 OCC1CCCN(Cc2ccc(cc2)-c2ccccc2)C1
38693 COc1ccc(CN2CCN(CC2)c2ccccc2)c(C)c1C
38694 Clc1cc(Br)ccc1OCCOCCN1CCOCC1
38695 Clc1ccccc1OCCCCN1CCCC1
38696 COc1ccc(CN2CCN(CC2)c2ncccn2)c(OC)c1
38697 O=C(C1CCN(CC2CCCCC2)CC1)N1CCCC1
38698 CCOC(=O)C1CCN(Cc2ccc(F)c(Br)c2)CC1
38699 CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2C)C1
38700 COc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
38701 CN(CCc1ccccn1)Cc1ccc(Cl)cc1Cl
38702 CCOC(=O)C1CCN(CC1)C(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1
38703 CCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2)CC1
38704 COc1cc2CCN(Cc3cccs3)Cc2cc1OC
38705 COc1ccccc1CN1CCN(CC1)C(=O)Cc1ccccc1
38706 CCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
38707 COc1ccccc1N1CCN(CCc2n[nH]c(=S)n2-c2ccccc2)CC1
38708 CN(C)CCN(Cc1ccccc1)c1ccnc(N(C)C)c1C#N
38709 C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1ccccc1
38710 CN(CCc1ccccn1)Cc1cccc(C)c1
38711 COc1cccc(CNCc2ccccn2)c1OC
38712 CCOC(=O)C1CCN(Cc2ccc(OC)c(C)c2OC)CC1
38713 COc1cccc(CN2CCN(CC2)C(=O)CC(C)C)c1
38714 COC1CCCCC1Nc1cc(C)ccc1C
38715 CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1
38716 CCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
38717 CCOc1cc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)ccc1O
38718 CCOc1ccc(OCCCCN(C)C)cc1
38719 C(CN1CCCC1)Oc1ccc2ccccc2c1
38720 C\C(CN1CCN(CC1)c1ccccc1)=C/c1ccccc1
38721 COc1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)c2ccccc2F)cc1OC
38722 COc1cc(CN2CCN(CC2)C(=O)CC(C)C)cc(OC)c1OC
38723 COc1cc(CN2CCN(CC2)C(=O)COc2ccccc2)cc(OC)c1OC
38724 COc1ccc(OC)c(CN2CCN(CC2)c2ccccc2OC)c1
38725 COc1ccccc1N1CCN(Cc2ccc(Br)o2)CC1
38726 Fc1cccc(CN2CCN(CC2)c2ncccn2)c1
38727 Clc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1
38728 Fc1cccc(c1)C(=O)N1CCN(Cc2ccco2)CC1
38729 CCCCOc1ccc(CN2CCC(O)CC2)cc1
38730 [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#7](-[#6])-[#6]-[#6]-c1ccccn1
38731 COc1cccc(CN2CCN(CC2)C(=O)c2cccc(F)c2)c1
38732 COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1OCc1ccccc1
38733 CN1CCCN(Cc2ccccc2C(F)(F)F)CC1
38734 Cc1cccc(OCCCCCn2ccnc2)c1
38735 CCOc1cccc(OCCCNCCCOC)c1
38736 COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c(OC)c1C
38737 COc1ccc(CN2CCN(CC2)C(=O)CC(C)C)c(OC)c1OC
38738 C=CCc1ccccc1OCCCCN1CCCC1
38739 FC(F)(F)c1cccc(c1)N1CCN(Cc2cccnc2)CC1
38740 COc1ccc(CN2CCN(CC2)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
38741 Cc1ccsc1CN1CCN(CC1)c1ccccn1
38742 COc1cc(CN2CCSCC2)cc(OC)c1OC
38743 O=C(N1CCN(CC1)C1CCCC1)c1ccco1
38744 CCOc1cc(cc(OCC)c1OCC)C(=O)NCCN1CCOCC1
38745 COc1ccccc1CNCc1cc(OC)c(OC)cc1OC
38746 COc1ccc(CN2CCN(CC2)C(=O)Cc2ccccc2)c(OC)c1
38747 COc1cc(cc(OC)c1OC)C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
38748 CCS(=O)(=O)N1CCN(CC1)C(C)CCc1ccccc1
38749 COc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
38750 FC(F)(F)c1cccc(CN2CCCCCC2)c1
38751 COc1cccc(OC)c1OCCCCN1CCCC1
38752 COc1ccc(CN2CCN(CC2)C(=O)CC(C)C)cc1OC
38753 COc1cc(CNC2CCCC2)cc(OC)c1
38754 CSc1ccc(CN2CCC(O)CC2)cc1
38755 Fc1ccccc1NC1CCN(Cc2ccccc2)CC1
38756 COc1cc(OC)cc(c1)C(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
38757 COc1cc(C)c(CN2CCN(CC2)c2ccccc2)cc1C
38758 CCOc1cccc(OCCOCCN2CCCC2)c1
38759 COc1c(Br)cc2c(C)c(oc2c1Br)C(O)=O
38760 O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccn2)CC1
38761 COc1cc(CNc2ccc3CCCc3c2)cc(OC)c1O
38762 COc1ccc(cc1)N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O
38763 CCN(CC)C(=O)C1CCCN(C\C=C\c2ccccc2)C1
38764 COc1ccccc1N1CCN(Cc2ccc(OC)c3ccccc23)CC1
38765 Oc1ccc(cc1)-c1n[nH]c(=S)n1Cc1ccccc1
38766 CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1
38767 Fc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1
38768 Cc1ccc(OCCOCCn2ccnc2)c(Br)c1
38769 Clc1ccccc1OCCN1CCCCC1
38770 CCOC(=O)C1CCN(Cc2ccc(cc2)N(C)C)CC1
38771 CC(=O)Nc1ccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
38772 CCOC(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1
38773 CC(C)c1ccc(OCCOCCN2CCCC2)cc1C
38774 CCOC(=O)C1CCCN(Cc2ccc(OC)cc2OC)C1
38775 Cc1ccccc1OCCCN1CCCC1
38776 CCOc1cccc(OCCCCN2CCOCC2)c1
38777 COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2C)CC1
38778 COc1cc(CN2CC(C)OC(C)C2)cc(OC)c1
38779 CCN(CC)C(=O)C1CCCN(Cc2ccc(cc2)N(C)C)C1
38780 CCOc1cc(CN2CCSCC2)ccc1O
38781 Fc1ccc(CN2CCCCCCC2)cc1F
38782 COc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
38783 CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1
38784 COc1cccc(CN2CCN(CC2)c2ncccn2)c1
38785 CCOC(=O)C1CCCN(Cc2cc(Br)ccc2OC)C1
38786 CC(C)(C)c1ccccc1OCCN1CCCC1
38787 COc1ccc(cc1)N1CC(CC1=O)C(=O)NCCCN1CCOCC1
38788 CCOc1cc(CN2CCN(CC2)C(=O)c2ccco2)ccc1OC
38789 Clc1ccc(SCCn2ccnc2)cc1
38790 CC(C)c1ccc(OCCN2CCCC2)cc1C
38791 FC(F)(F)c1ccccc1CN1CCN(CC1)C(=O)c1ccco1
38792 COc1ccc(CN2CCN(CC2)C(=O)c2cccs2)cc1Br
38793 COc1ccc(cc1OC)C1=NCC(=O)N(CC(=O)NCc2ccco2)c2sc3CCCCc3c12 |t:11|
38794 CCOC(=O)C(CC)n1cnc2sc3CCCc3c2c1=O
38795 O=C(Nc1cccc(NC(=O)N2CCN(CC2)c2ccccc2)c1)N1CCN(CC1)c1ccccc1
38796 COc1ccc(Cn2nnnc2C(N2CCOCC2)c2cc3cccc(C)c3[nH]c2=O)cc1
38797 COc1cccc2c(C)c([nH]c12)C(O)=O
38798 Oc1ccc(cc1)C(=O)OCCCN1CCCCC1
38799 Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)no1
38800 CC(C)(C)c1cc(C(O)=O)c(CN2CCCCC2)o1
38801 CCCCOc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC
38802 CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
38803 COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C1CC1
38804 COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1
38805 OCCC1S\C(N(C1=O)c1ccccc1)=C(/C#N)C(=O)NCc1ccccc1
38806 CN(C)CCN1C(C(C(=O)c2c(C)nc3c(C)cccn23)C(=O)C1=O)c1ccncc1
38807 Cc1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccco2)c(C)c1
38808 OC12CCCCC1SC1=C(C#N)C3(CCCCC3)C(C#N)C(=N)N21 |c:9|
38809 O=C(Cn1nnc(n1)-c1ccccc1)OCc1ccccc1
38810 CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1
38811 O=C(Nc1ccccn1)c1ccc2ccccc2n1
38812 Oc1cc(N2CCN(CCc3ccccn3)CC2)c(O)n1-c1ccc(Cl)cc1
38813 O=S(=O)(NCCc1ccccn1)\C=C\c1ccccc1
38814 O=C(NC1=NCCS1)c1ccc(OCC2CCCO2)cc1 |t:3|
38815 O=C(Nc1ccccc1)c1cccnc1N1CCOCC1
38816 CCN(CC)C(=O)c1cc2c(nc3c(C)cccn3c2=O)n1C
38817 O=C(N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1)c1ccco1
38818 Cc1onc(c1C(=O)Nc1ccc(cc1)-n1nncc1C(C)(C)C)-c1ccccc1Cl
38819 COc1ccc(cc1)C(CC(=O)N1CCC2(CC1)OCCO2)NS(=O)(=O)c1ccc(F)cc1
38820 Cn1c(CSc2nnc(SCc3ccccc3)s2)nc2ccccc12
38821 CCOc1cc(ccc1O)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
38822 COc1nc(OCC(=N)NO)nc(n1)N1CCOCC1
38823 O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1
38824 COc1ccc(CN2CC(CC2=O)C(=O)NCCCN2CCOCC2)cc1
38825 CCOC(=O)CSc1nnnn1-c1cc(OC)c(Cl)cc1OC
38826 CCn1c2ccccc2c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c1=O
38827 COc1cc(OC)cc(c1)-n1nc(C(=O)NCCCN2CCOCC2)c2ccccc2c1=O
38828 CC(C)CCNC(=O)C1CCN(CC1)c1nc2ccccc2o1
38829 CCOC(=O)N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1
38830 CCN(CC)C(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
38831 Cc1nn(-c2ccccc2)c2sc(cc12)C(O)=O
38832 [H]C12CCC([H])(CC(C1)OC(=O)CCN1CCCC1)N2C
38833 CCC(=O)NC1(C(=O)Nc2c1c(=O)n(C)c(=O)n2C)C(F)(F)F
38834 Cc1nc2c(Cl)cccc2c(O)c1CN1CCCC1
38835 O=C(COc1ccccc1)N1CCN(CC1)S(=O)(=O)c1cccs1
38836 O=C1CC(NCc2ccco2)C(=O)N1CCc1ccccc1
38837 O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
38838 OC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2=O
38839 Cc1ccc(CN2CCN(CC(=O)N3CCC(CC3)C(N)=O)C2=O)cc1
38840 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NCc1ccco1
38841 CCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(CC2)C(C)=O)cc1
38842 CC(Nc1ncnc2nc[nH]c12)c1ccccc1
38843 Cc1cc2c(N)cccc2nn1
38844 COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1 |c:4,t:7|
38845 CCOc1cc(ccc1NC(=O)CC)C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1
38846 Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc34)nc12
38847 COc1ccc(NC(=O)N2CCCC(C2)c2nc(no2)-c2ccc(cc2)C(C)C)cc1
38848 c1ccc2[nH]c(nc2c1)-c1ccc2ccccc2n1
38849 CCc1ccc2oc(nc2c1)-c1cc(ccc1O)N=Cc1cccc(OC)c1O |w:18.20|
38850 Cn1c(SC2=CS(=O)(=O)c3ccccc23)nc2ccccc12 |t:4|
38851 Cc1ccc(cc1)-c1cnc(NC(=O)CCC(=O)N2CCCCC2)n1C
38852 Cc1cnc(cn1)C(=O)Nc1cccc2cccnc12
38853 CN1CCN(CC1)c1nc(Sc2nnc(C)s2)nc(Sc2nnc(C)s2)n1
38854 CCCOc1ccc(cc1)-c1nnc(o1)-c1ccco1
38855 Cn1c(nc2cc3ccccc3cc12)-c1ccco1
38856 CN(C)CCOC(=O)c1c(C)oc2cc3c(C(=O)OCCN(C)C)c(C)oc3cc12
38857 Clc1cccc(c1)-c1nc(no1)-c1ccccn1
38858 Cc1cnc(NC(=O)CN2CCN(CC2)c2ccccn2)s1
38859 Nc1cccc(c1)-c1nc2ccc(N)cc2s1
38860 O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCc2ccccc12
38861 COc1ccc(OC)c(NC(=O)CSc2nnnn2-c2ccc3OCOc3c2)c1
38862 CCc1ccc2oc(nc2c1)-c1cc(N)ccc1O
38863 O=NC1c2cc(ccc2-c2ccc(cc12)S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1
38864 CCN1C(=O)\C(S\C1=N/c1cccc(O)c1)=C1\Sc2ccc(OC)cc2N1C
38865 COc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1
38866 COc1cc(CC(NC(C)=O)C(=O)NC2CCN(CC2)c2nc(C)cc(C)c2C#N)cc(OC)c1
38867 CC(C)Nc1nc(NC(C)C)nc(n1)-n1nc(C)cc1C
38868 CC(C)c1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)Nc1ccccc1C
38869 Nc1ccc(cc1)-c1nc2c(Cl)cc(N)cc2[nH]1
38870 C[C@H]1CCCC=CC2C[C@H](O)CC2[C@H](O)C=CC(=O)O1
38871 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12
38872 CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:49|
38873 Cn1c(cc2c1ccc1n([O-])[o+]nc21)-c1ccccc1
38875 N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)|
38876 COc1cccc(Cn2c(NCc3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c1
38877 CCOC(=O)c1[n-]c2ccccc2c1[N+]#N
38878 COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12
38879 CC(C)NCC(O)Cn1c2-c3cnn(c3CCc2c2ccccc12)-c1ccccc1
38880 COc1ccc2c(c1)sc1nc(cn21)-c1ccccc1
38881 [H]C12CCC([H])(N1C)[C@@]1([H])[C@H](c3ccc(Cl)cc3)C(C#N)(C#N)C(N)=C(C#N)C1=C2 |c:31,t:26,TLB:10:8:6:3.2|
38882 COc1ccc(OC)c(NS(=O)(=O)c2ccc(cc2)N2CCCC2=O)c1
38883 CCOc1ccc(Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1
38884 N=C1C(C#N)C2=CCN(C[C@@H]2[C@@H](c2ccncc2)C1(C#N)C#N)C(=O)OCc1ccccc1 |t:5|
38885 COC(=O)c1ccc(Oc2cc(C)nc(n2)-n2nc(C)cc2C)cc1
38886 CCN(CC)c1ccc2C(C(C#N)C(=N)Oc2c1)c1cccnc1
38887 Cc1ccc(cc1)-c1cn2nc(C)c(C)nc2n1
38888 Clc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1 |t:13|
38889 COc1cc(cc2OCOc12)C1C(C#N)C(=N)Oc2cc(ccc12)N(C)C
38890 COc1cc(CN=O)ccc1OCc1ccc(cc1)C(O)=O
38891 CC(C)c1ccc(C)cc1OCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1C
38892 Cc1ccc(cc1)C(=O)CC=Nc1ccccn1 |w:11.12|
38893 CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
38894 Cc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1
38895 COc1cc(cc(OC)c1OC(C)=O)C1Nc2cccc3cccc(N1)c23
38896 CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N |c:6|
38897 C1CN(CCO1)c1ncnc2n(nnc12)-c1ccccc1
38898 COc1cc(cc(OC)c1OC)C1C(C#N)C(C)=NC2=C1C(=O)c1ccccc21 |c:18,20|
38899 CCOC(=O)C1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1
38900 Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCC1
38901 COc1ccc(cc1)-c1cc2nc3COCCn3c(=O)c2s1
38902 C1CN(CCN1c1ccccc1)c1nc(nc2ccccc12)-c1ccccn1
38903 CCc1ccc(cc1)-c1cn2nc(C)c(C)nc2n1
38904 C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccco1
38905 Cc1ccc(cc1)-c1nc2nc3ccccc3nc2n1Cc1ccco1
38906 COc1ccc(Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1
38907 CCOC(=O)c1cnc(nc1NC(C)c1ccccc1)-n1nc(C)cc1C
38908 COc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(Cc2ccc3OCOc3c2)CC1
38909 C\C(Cl)=C/Cn1c(NCCc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
38910 Cn1c2nc(NCc3ccco3)n(C\C=C\c3ccccc3)c2c(=O)n(C)c1=O
38911 COc1ccc(CCNc2nc(C)nc3c4ccccc4oc23)cc1OC
38912 NC1C2CN(CC12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
38913 CN(C)C(=O)CCc1nc(no1)-c1ccc(cc1)C(C)(C)C
38914 CNC(=O)CCc1nc(no1)-c1ccc(cc1)C(C)(C)C
38915 CCNC(=O)CCc1nc(no1)-c1ccc(cc1)C(C)(C)C
38916 COc1ccc(cc1OC)-c1noc(CCCC(=O)NCCc2ccccc2)n1
38917 CC(C)(C)c1ccc(cc1)-c1noc(CCC(N)=O)n1
38918 CCOc1cc(ccc1OC(F)F)C(=O)N1CCc2cc(OC)c(OC)cc2C1
38919 Cc1nc([nH]c(=O)c1Cc1cccc2ccccc12)N1CCN(CC1)c1ccccc1
38920 Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
38921 CCSc1nnc(NC(=O)c2ccccn2)s1
38922 Cc1ccc2nc(cn2c1)-c1ccccc1
38923 O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
38924 c1ccc(nc1)-c1cccc(n1)-c1ccccn1
38925 C1CCc2c(C1)sc1nc(cn21)-c1ccccc1
38926 COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C
38927 Cc1cnc(NC(=O)COc2ccccc2Cl)s1
38928 Clc1ccc(cc1)C(=O)N1CCCCC(Sc2nnc(o2)-c2ccc3OCOc3c2)C1=O
38929 COc1cc2c(cc1NC(=O)CSc1nnnn1-c1ccccc1)oc1ccccc21
38930 COC(=O)C1C(NC(=O)NC1=CN1CCCc2ccccc12)c1ccc(F)cc1 |w:11.12|
38931 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(=O)[nH]1
38932 Cc1cc(c(C)n1-c1ccccc1)-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1
38933 COc1cccc(NC(=O)CSc2nnc(o2)-c2cc(C)n(c2C)-c2ccccc2)c1
38934 CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1
38935 CCn1c(C)nc2cc(ccc12)-c1nc2-c3ccccc3Cn2n1
38936 O=C(NC1=NCCS1)C1COc2ccccc2O1 |t:3|
38937 Cc1cc(no1)-n1c(C)cc(C(=O)CSc2ncnc3ccccc23)c1C
38938 COc1cc2nc(CN3CCC(=CC3)c3ccccc3)[nH]c(=O)c2cc1OC |c:11|
38939 CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0|
38940 Cc1nc2nc(cn2nc1C)-c1ccccc1
38941 C(CSc1nnc2sc3ccccc3n12)Oc1ccccc1
38942 CC(C)Cn1c(N)c(C(=O)COC(=O)c2c(C)nn(c2C)-c2ccccc2)c(=O)n(C)c1=O
38943 O=c1n(ncc2ccccc12)-c1nc2ccccc2s1
38944 CN1CCN(CC1)C(=O)COc1ccc(cc1)-c1nc2ccccc2s1
38945 C(Nc1ncnc2sccc12)c1cccs1
38946 O=C(NC1CC1)c1ccc(s1)-c1nc2ccccc2s1
38947 N(C1=NC(=Nc2ccccn2)c2ccccc12)c1ccccn1 |w:4.4,t:1|
38948 Cc1ccc(cc1)-c1nnc(Nc2ccccc2)o1
38949 COc1ccc(cc1)C(=O)NC(=O)Nc1cc(C)ccn1
38950 COc1ccc(CCNc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1OC
38951 COc1cc(NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC
38952 COCCn1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C
38953 CCCCn1c2N=C3CCCCCN3C(c3ccc(OC)cc3)c2c(=O)n(C)c1=O |t:6|
38954 Nc1nsc2ccccc12
38955 COc1ccccc1-c1nnc(Nc2nc3c(OC)cccc3s2)o1
38956 CCOc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
38957 O=C(NCc1ccco1)c1ccc2nc3sc4CCCCc4c3c(=O)n2c1
38958 Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1
38959 Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
38960 Fc1ccc(cc1)-c1nnc(NC2=NCCCCC2)o1 |t:13|
38961 CC1CCN(CC1)c1nc2ccc(cc2s1)C(O)=O
38962 Clc1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
38963 Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
38964 COc1ccc(OCc2cccc(c2)C(O)=O)cc1
38965 CCCCOc1ccc(OC(=O)c2cccnc2)cc1
38966 COc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)OC(C)C2)o1
38967 CC(=O)CC1=C(NCc2ccccc2)C(Br)C(=O)O1 |c:4|
38968 CC1(C)COCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc(Cl)s1
38969 COc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
38970 C1CCN(CC1)c1nc2cc3OCCOc3cc2s1
38971 Cc1cccc(N2CCN(CC2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3C)o2)c1C
38972 CCc1ccc(cc1)-c1nc(CSCC(=O)NCCCN2CCCC2=O)c(C)o1
38973 c1ccc(cc1)-c1noc(n1)-c1ccc2ccccc2c1
38974 CSCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(CC(C)C)CC(C)C)o1
38975 COc1ccc(C=Nn2nnc3ccccc23)cc1 |w:7.7|
38976 COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3ccc(C)c(C)c3)c2N)c1
38977 O=C(Nc1nc(cs1)-c1ccccn1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
38978 CCCCN(CCCC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CSC)o1
38979 Oc1c(CN2CCOCC2)cc(COCc2ccccc2)c2cccnc12
38980 C1COc2cc3sc(nc3cc2O1)N1CCOCC1
38981 CCOc1ccc(cc1)-c1cc(CCCC(=O)NCCCOC)no1
38982 O=C(NCCCN1CCOCC1)c1csc2CCCCc12
38983 CCOc1ccc(cc1)-c1cc(CCCC(=O)Nc2cc(OC)ccc2OC)no1
38984 Fc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
38985 O=C1C(C(=O)c2ccccc12)c1nccc2ccccc12
38986 C1COc2cc3sc(nc3cc2O1)N1CCc2ccccc2C1
38987 CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccs1
38988 CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C
38989 CCOc1ccc(cc1)-c1cc(CCCC(=O)NCCc2ccc(OC)c(OC)c2OC)no1
38990 Cc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1F
38991 O=c1cc([nH]c(=O)n1C1CCCCC1)N1CCN(CC1)c1ccccc1
38992 COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2COCC2(C)C)o1
38993 CCCCS(=O)(=O)\C=C/C=C\S(=O)(=O)CCCC
38994 COCCNC(=O)CSCc1nc(oc1C)-c1ccc(SC)cc1
38995 CCOc1ccc(cc1)-c1nc(CSCC(=O)NCCN2CCOCC2)c(C)o1
38996 Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)no1
38997 COc1cc2[nH]c(=S)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC
38998 O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N
38999 COCCn1c(C)cc(C(=O)CSc2nnc(C)s2)c1C
39000 O=C(Oc1ccc(cc1)-c1nc(no1)-c1ccccn1)c1ccccc1
39001 CCOc1ccc(OCc2cccc(c2)C(O)=O)cc1
39002 COc1ccc(cc1OC)-c1cc(C(O)=O)c(C)o1
39003 CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
39004 C1Oc2ccc(cc2O1)-c1nc(no1)-c1ccccn1
39005 CCc1nn2cc(nc2s1)-c1ccccc1
39006 C(Sc1nnc(o1)-c1cccnc1)c1nc2ccccc2[nH]1
39007 Cc1ccc(cc1)-c1cc(no1)C(=O)N1CCCC1
39008 O=C(Nc1ccc(cc1)N1CCOCC1)c1cnsn1
39009 CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
39010 COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCC2CCCO2)nc2ccccc2c1=O
39011 CC1CCc2nc(NC(=O)c3ccco3)sc2C1
39012 O=C(Nc1ccccc1)c1cccc(c1)-c1nnc(o1)-c1ccccc1
39013 COc1ccc(CC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccccc2)cc1OC
39014 COC(=O)c1ccc(cc1)-n1c(O)cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1O
39015 COc1ccc(Cl)c(Cn2c(NCc3ccco3)nc3n(C)c(=O)n(C)c(=O)c23)c1
39016 COc1ccc(cc1)-c1cc2nc3CCCn3c(=O)c2s1
39017 CN(C)c1ccc(cc1)N=CCC(=O)c1ccccc1 |w:9.9|
39018 c1ccc2oc(nc2c1)-c1ccc2ccccc2n1
39019 CCOc1ccccc1C(=O)N1CCN(CC1)c1cccc(Cl)c1
39020 Cc1cc(oc1C)C(=O)Nc1cccc(c1)C(O)=O
39021 Cc1ccc(CNc2nc3ccccc3s2)s1
39022 CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
39023 O=C(NCCOc1ccccc1)c1ccc2OCOc2c1
39024 OCc1ccc(OCc2cccc(c2)C(O)=O)c(Cl)c1
39025 c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1
39026 COc1cc(CN2CCN(CC2)c2cc(C)ccc2C)ccc1O
39027 Cc1oc(cc1C(O)=O)-c1ccc2OCCOc2c1
39028 OC(=O)c1cccc(COc2ccccc2Cl)c1
39029 Cc1cc(NC(=O)c2ccc3OCCOc3c2)no1
39030 CCn1c2ccccc2c2cc(NC(=O)CSc3nnnn3-c3ccccc3)ccc12
39031 CCOC(=O)c1c(C)c(sc1N)C(=O)Nc1ccc2OCOc2c1
39032 CCc1ccc2oc(nc2c1)-c1ccc(N)cc1
39033 Cc1cc(C)n(n1)-c1ccc2cccc(NS(C)(=O)=O)c2n1
39034 O=C(NC1CCCCC1)Nc1ccccc1NC(=O)NC1CCCCC1
39035 CCOC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:10|
39036 COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
39037 CCOc1ccc(cc1)-c1noc(CCC(O)=O)n1
39038 CCCCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
39039 COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1
39040 CCn1c2ccccc2c2cc(Nc3cc(C)nc4ncnn34)ccc12
39041 CCc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2ncccn2)c(C)o1
39042 COc1ccc(NC(=O)NCCCN2CCN(CC2)c2cc(C)ccc2C)cc1
39043 Cc1ccc(nc1)N1C(O)c2ccccc2C1=O
39044 CC(C)(C)c1ccc(cc1)-c1cc(N)[nH]n1
39045 Cc1sc(NC(=O)c2ccco2)c(C(N2CCN(CC2)c2ccc(F)cc2)c2cccnc2)c1C
39046 COc1cc(cc(OC)c1OC)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
39047 O=C(Nc1nnc(o1)C1CC1)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
39048 Cc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1
39049 C1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
39050 COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCC1
39051 Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1
39052 Clc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
39053 COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
39054 O=C(Nc1nc2cc3OCOc3cc2s1)C1=COCCO1 |t:18|
39055 CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccccc1
39056 CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1
39057 Cc1cccc(c1)-n1ncc2c(ncnc12)N1CCOCC1
39058 COc1ccc(O)c(c1)C(=O)CC(=O)c1ccc(F)cc1
39059 Cc1cc(C)n(n1)-c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
39060 CN(C)c1ccc(NC(=S)c2ccccn2)cc1
39061 Clc1ccc(cc1)C(=O)CC=Nc1ccccn1 |w:11.12|
39062 [#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
39063 Cc1ccc(cc1)-c1nc(no1)-c1ccccn1
39064 COc1ccccc1CC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
39065 Clc1ccc(CC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
39066 c1c(nc2sc(nn12)-c1ccccc1)-c1ccccc1
39067 CSC1=NC2=C(C(C1C#N)c1ccc(Cl)cc1)C(=O)CC(C)(C)C2 |c:4,t:2|
39068 CCOc1ccc(cc1)-c1nnc(o1)-c1ccco1
39069 O=C(CC=Nc1ccc2OCOc2c1)c1ccccn1 |w:4.4|
39070 COc1ccc(CC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccccc2)cc1
39071 Fc1cccc(c1)N=CCC(=O)c1ccc2OCOc2c1 |w:7.7|
39072 [#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:4,7|
39073 COCc1cc(CN2CCCC2)c(O)c2ncccc12
39074 COC(=O)c1nn(cc1O)-c1ccc(cc1)-c1ccccc1
39075 CCCc1ccc(nc1)-c1ccc(F)c(N)c1
39076 Clc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1
39077 CN(C)c1ccc2C(C(C#N)C(=N)Oc2c1)c1cccc(F)c1
39078 COc1ccc(C(NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1
39079 Cc1ccc(cc1)-c1nsc2c(ncnc12)N1CCC(CC1)C(N)=O
39080 COc1ccc(cc1)-c1noc(CCCC(O)=O)n1
39081 CC1CCCC(C)N1C(=O)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1nnc2cc(C)ccc12
39082 CCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1cccc(C)c1
39083 Cc1ccc(cc1)S(=O)(=O)NCc1ccncc1
39084 Cc1cccc2cc3CN(Cc4ccco4)\C(Sc3nc12)=N\CC1CCCO1
39085 O=S(=O)(N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1)c1ccccc1
39086 CCOc1ccc(OCc2ccc(o2)C(=O)OCc2ccccn2)cc1
39087 Cn1c2nc(OCC=C)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
39088 Cn1c2nc(OCC=C)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O
39089 Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
39090 C(Nc1ncnc2ccccc12)c1ccco1
39091 COc1cccc(c1)C(=O)c1sc(NC(C)C)nc1N
39092 NCCCCCc1nnc(SCc2ccccc2Cl)o1
39093 COc1cccc(c1)-c1nnc2SCC(=Nn12)C(C)(C)C |c:15|
39094 Cc1ccc(cc1)-c1noc(CCCC(=O)Nc2cccnc2)n1
39095 OC(=O)CCCCCn1c(O)csc1=S
39096 Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1CC1CCCO1
39097 Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2c(F)c(F)c(F)c(F)c2o1
39098 O=C1N(Cc2nc3ccccc3s2)S(=O)(=O)c2ccccc12
39099 Cc1ccc(cc1)N=C1Nc2ccccc2CS1 |w:7.7|
39100 Cc1ccc(F)cc1NC(=O)Cc1nn(C)c(=O)c2ccccc12
39101 Cc1noc(C)c1S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
39102 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)NC(C)C)C(F)(F)F
39103 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F
39104 Cc1ccccc1NC(=O)c1cnc2ccccn2c1=O
39105 Cc1cc(C)cc(Nc2ccc(cc2N)C(O)=O)c1
39106 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC1=CCCCC1 |t:20|
39107 Fc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
39108 Cc1cc(C)nc(SC2=CS(=O)(=O)c3ccccc23)n1 |t:8|
39109 CCCOc1ccccc1C1CC(=O)Nc2cc3OCCOc3cc12
39110 CN(C)c1nc(N)nc(CSc2nnnn2-c2cccc3ccccc23)n1
39111 Cc1oc2nc(SCC(=O)NCc3cccnc3)nc(N)c2c1C
39112 Nc1cc(=O)[nH]c(SCC(=O)Nc2sc3CCCCCCc3c2C#N)n1
39113 Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
39114 Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccccc2F)o1
39115 COC(=O)c1ccc(cc1)-c1nc(no1)-c1cccs1
39116 COc1cccc(OC)c1C1=NCC(=O)Nc2c1oc1ccc(Br)cc21 |t:11|
39117 CCOc1ccc(cc1)-c1cc(CCCC(=O)NCc2ccco2)no1
39118 COc1cccc(c1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
39119 ClC1=C(N2CCCCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39120 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39121 Oc1c(Cl)c(N=Cc2ccccc2)c(O)n1-c1ccc(Cl)c(Cl)c1 |w:5.4|
39122 COCC=Nc1c(Cl)c(O)n(c1O)-c1ccc(Cl)c(Cl)c1 |w:4.4|
39123 ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39124 CN(C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:3|
39125 Fc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |w:7.7|
39126 Nc1cc(nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)-c1ccccc1
39127 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|
39128 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|
39129 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1Cl |c:1|
39130 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|
39131 ClC1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:1|
39132 ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:1|
39133 ClC1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:1|
39134 ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:1|
39135 Cc1ccc(Cl)c(N2C(=O)C(Cl)=C(Cl)C2=O)c1Cl |t:11|
39136 ClC1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:1|
39137 ClC1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:1|
39138 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cc(Cl)cc(Cl)c1 |c:8|
39139 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1Cl |c:8|
39140 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)cccc1Cl |c:8|
39141 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1Cl |c:8|
39142 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1c(Cl)ccc(C)c1Cl |c:8|
39143 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccccc1Cl |c:8|
39144 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(Cl)c1 |c:8|
39145 Fc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|
39146 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:13|
39147 C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
39148 C[C@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
39149 ClC1=C(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39150 CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
39151 ClC1=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39152 ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39153 ClC1=C(N2CCN(CC2)c2ncccn2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39154 ClC1=C(N2CCN(CC2)c2ccccc2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39155 C[C@@H]1CN([C@@H](C)CN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
39156 OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:10|
39157 COc1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
39158 CC1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:8|
39159 COc1ccc(cc1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
39160 CCCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|
39161 ClC1=C(N2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39162 COc1cccc(c1)N1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:16|
39163 CC1CN(CCN1c1ccccc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:15|
39164 CC1N(CCNC1=O)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:9|
39165 ClC1=C(N2CCN(CCNCc3ccccn3)CC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:1|
39166 CC1NC(C)C(C)N(C1C)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1 |c:11|
39167 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(C)c1 |c:8|
39168 Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:12|
39169 Cc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCO)CC2)C1=O |t:12|
39170 COc1cccc(c1)N1C(=O)C(Cl)=C(N2CCN(CCOCCO)CC2)C1=O |t:13|
39171 [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
39172 CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:9|
39173 [O-][N+](=O)c1ccc(cc1)N1C(=O)C(Cl)=C(N2CCN(Cc3ccc4OCOc4c3)CC2)C1=O |t:14|
39174 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O |c:13|
39175 [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:14|
39176 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
39177 C[C@@H]1CN(CCN1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:8|
39178 OCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:10|
39179 ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|
39180 CCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:9|
39181 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:8|
39182 OCCOCCN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:13|
39183 [O-][N+](=O)c1cccc(c1)N1C(=O)C(Cl)=C(Cl)C1=O |t:14|
39184 FC(F)(F)c1ccc(cc1)N1C(=O)C(Cl)=C(Cl)C1=O |t:15|
39185 Cc1ccc(cc1)N=C1C(Cl)C(=O)N(C1=O)c1ccc(C)cc1 |w:7.7|
39186 ClC1=C(Cl)C(=O)N(C1=O)c1ccnc(Cl)c1 |c:1|
39187 ClC1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)nc1 |c:1|
39188 CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c12
39189 Cn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
39190 CC(=O)c1cccc(c1)-n1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
39191 Oc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1
39192 Nc1nc2ccccc2n1C(=O)CCc1ccccc1
39193 COc1ccc2cc3c(N)c(sc3nc2c1)C(=O)NCc1ccco1
39194 O=C(c1ccccc1)c1ccc2nc[nH]c2c1
39195 COC(=O)c1cccc2C(N=O)c3ccccc3-c12
39196 O=C(Nc1ccncc1)C1(CCCC1)c1ccccc1
39197 O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1ccncc1
39198 Cc1ccc(Cn2c(nc3ccccc23)-c2nonc2N)cc1
39199 Cc1cccc(NC(=O)CSc2nnc(o2)-c2ccco2)c1C
39200 Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)C3CC3)cc2c1=O
39201 Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccccc3C#N)c12
39202 Cc1c(oc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1
39203 Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)Cn1c(noc1=O)-c1ccccc1
39204 O=C(NCc1ccc2OCOc2c1)c1ccc2snnc2c1
39205 Oc1cccc(NC(=O)CSc2nc(c[nH]2)-c2ccc(F)cc2)c1
39206 Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)-c1cccs1
39207 Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)-c1ccco1
39208 COc1cc(N)cc(NC(=O)c2ccncc2)c1
39209 CN1C(N=O)c2cccc3cccc1c23
39210 Cc1ccc2c(n1)sc1c(N)ncnc21
39211 CC(=O)c1cc(C#N)c(SCc2ccncc2)nc1C
39212 CCOC(=O)C1=C(CSc2nc(ccc2C#N)-c2ccncc2)OC(=N)C(C#N)C1c1cccnc1 |c:5|
39213 C(Cn1c(N=Cc2cccs2)nc2ccccc12)N1CCCCC1 |w:4.3|
39214 N#Cc1c2CCCCCc2sc1N=Cc1ccco1 |w:12.13|
39215 CC(=O)CSc1ncnc2nc[nH]c12
39216 CC(C)CC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
39217 Cc1cc(=O)n([nH]1)-c1ccc2ccccc2n1
39218 Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
39219 CCCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
39220 O=C(Oc1cccc2c1cc[nH]c2=O)c1ccccc1
39222 OC(=O)c1cc(NCc2ccc3OCOc3c2)ccc1N1CCOCC1
39223 C1Oc2ccc(cc2O1)-c1csc(Nc2ccc3OCCOc3c2)n1
39224 O=C(COc1ccc(cc1)-c1nnco1)Nc1sccc1C#N
39225 OC1Cn2n(C1)c(=O)ccc2=O
39226 C(Nc1ncnc2sc3CCCCCc3c12)c1ccco1
39227 CCC(=O)Nc1ccc(cc1)C(=O)Cn1nc(C(O)=O)c2ccccc2c1=O
39228 Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1ccc2OCOc2c1
39229 COc1ccc(CCC(=O)Nc2nc3CCN(C)Cc3s2)cc1OC
39230 CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1
39231 COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
39232 CC(=O)c1ccc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)cc1 |c:12|
39233 CSc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1
39234 Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc1ccncc1
39235 CN1C(=O)CSc2ccc(NC(=O)NCc3cccnc3)cc12
39236 COC1(OC)N=C(N)C2(C#N)C(c3ccc4OCOc4c3)C12C#N |t:5|
39237 CC(C)CCN1CC(CC1=O)C(=O)N1CCN(CC1)c1ccc(F)cc1
39238 Cc1cccc2cc(=O)[nH]c(C)c12
39239 CCCCc1c(C)nc(N)[nH]c1=O
39240 CN(C1CCCCC1)C(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:23|
39241 CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
39242 O=c1n(CN2CCOCC2)nc2-c3ccccc3-c3cccc1c23
39243 COC(=O)c1sc2cnccc2c1N
39244 COc1cccc(c1)-c1nnc(SCC(=O)c2cccs2)n1CC=C
39245 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC1COc2ccccc2O1
39246 CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OC)cc1
39247 Oc1ccc2C(C(C#N)C(=N)Oc2c1)c1ccncc1
39248 COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCN4CCCC4)c3=O)c2c1
39249 CCn1cc(C(=O)Nn2cnnc2)c(=O)c2ccc(C)nc12
39250 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccncc1
39251 CCOC1(OCC)N=C(N)C2(C#N)C(c3ccc(NC(C)=O)cc3)C12C#N |t:7|
39252 Cc1c(nnn1-c1nonc1N)C(=O)OCc1ccccc1
39253 Cc1cccc(N2CCN(CC2)C(=O)c2cn(C)c(=O)c3n(C)c4ccccc4c23)c1C
39254 Cn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nccs1
39255 Clc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1
39256 CC(CC(=O)Nc1ccncc1)c1ccccc1
39257 Clc1cccc(NC(=O)c2ccncc2)c1
39258 CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1nnc(C)s1
39259 Fc1cccc(Cl)c1CC(=O)Nc1ccncc1
39260 Cc1occc1C(=O)Nc1nnc(s1)-c1ccncc1
39261 O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1CCCCC1
39262 CCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
39263 Fc1cccc(F)c1C(=O)Nc1ccncc1
39264 CCn1ncc(Cl)c1C(=O)Nc1ccncc1
39265 CC(C)CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccncc1
39266 Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)N1CCN(CC1)C(=O)c1ccco1 |t:9|
39267 Cc1ccc(o1)C(=O)Nc1ccncc1
39268 CC(CCc1ccccc1)NC(=O)c1ccncc1
39269 COC(=O)c1nnn(c1CSCCO)-c1nonc1N
39270 CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1nccs1
39271 C(COc1ccccc1)Cc1nc(no1)-c1ccncc1
39272 NC(=O)c1c(N)scc1-c1cccs1
39273 Nc1sc2CN(CCc2c1C#N)C(=O)OCc1ccccc1
39274 CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
39275 Fc1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
39276 CC(=O)c1cccc(NC(=O)NCc2cccs2)c1
39277 COc1ccccc1OCc1ccc(o1)C(=O)Nc1ccncc1
39278 COCCSc1ccccc1C(=O)Nc1ccncc1
39279 COc1cccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c1
39280 Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2n1
39281 Fc1ccc(NC(=O)Nc2ccncc2)c(F)c1
39282 N#Cc1cc2CCCc2nc1SCc1ccncc1
39283 CCc1c(C)scc1C(=O)Nc1ccncc1
39284 N(c1nc(cs1)-c1ccncc1)c1cccnc1
39285 Nn1c(SCC(=O)Nc2ccc3OCOc3c2)nnc1-c1ccncc1
39286 Cc1cc(Cl)ccc1OCc1nnc([nH]1)-c1ccc(O)cc1
39287 Cc1cc(NC(=O)CSc2nc(cs2)-c2ccccc2)no1
39288 CC(Oc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=O
39289 O=C(CSc1ccccc1)Nc1cccc(c1)C#N
39290 O=C(Nc1ccncc1)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
39291 Cc1c(C)c2cc(ccc2n1C)C(=O)NCc1cccs1
39292 Cc1onc(c1C(=O)N1CCN(C\C=C\c2ccccc2)CC1)-c1ccccc1
39293 Clc1ccccc1-c1nnc2sc(nn12)-c1ccncc1
39294 Cn1c(cc2sccc12)C(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)c1ccco1
39295 O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(c1)C#N
39296 FC(F)(F)c1cccnc1N1CCN(CC1)c1ncnc2nc[nH]c12
39297 CCN(CC)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
39298 C1CC(=CCN1c1ncnc2nc[nH]c12)c1ccccc1 |c:2|
39299 C(CNc1ncnc2nc[nH]c12)Cn1ccnc1
39300 C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccccc1
39301 CCCN(CCC)c1ncnc2nc[nH]c12
39302 C(Nc1ncnc2nc[nH]c12)c1ccco1
39303 Cc1cccc(Nc2ncnc3nc[nH]c23)c1
39304 COc1ccc(cc1)N1CCN(CC1)c1ncnc2nc[nH]c12
39305 OCCN1CCN(CC1)c1ncnc2nc[nH]c12
39306 CCCCC(=O)Nc1ccc2C(=O)NC(=O)c2c1
39307 CN(CCO)c1ncnc2nc[nH]c12
39308 O=C(Nc1ccncc1)c1cc2ccccc2o1
39309 CC(=O)c1ccc(OCC(O)COc2ccc(cc2)C(C)=O)cc1
39310 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
39311 CCOc1ccc(cc1)C(=O)Nc1ccncc1
39312 O=C(Nc1ccncc1)c1cccs1
39313 COc1cc(C=Nn2nnnc2N)ccc1OCc1ccc(F)cc1 |w:6.6|
39314 O=c1cc(oc2ccccc12)-c1ccncc1
39315 CCCC(C)C(=O)Nc1ccc(cc1)C(N)=O
39316 COc1cc(cc(OC)c1OC)N=CC1C(=O)Nc2ccccc12 |w:12.12|
39317 Fc1cccc(c1)C(=O)Nc1ccncc1
39318 CCN1C(=O)N(CC)C(O)(c2ccccc2)C1(O)c1ccccc1
39319 Cc1c(sc(N)c1C#N)C(=O)N1CCCCC1
39320 O=C(Nc1ccncc1)c1ccc2OCCOc2c1
39321 O=C(Nn1c(=S)[nH]c2ccccc2c1=O)c1ccncc1
39322 Oc1ccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N2CCCC2)cc1
39323 CN(C)c1ccc(cc1)-c1ccncc1
39324 Fc1ccccc1C(=O)Nc1ccncc1
39325 COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
39326 Clc1ccc(cc1)-c1csc(n1)N(CCCN1CCOCC1)C(=O)c1ccco1
39327 CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1
39328 CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl
39329 Cc1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NC1CCCCC1
39330 COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 |(10.62,-.8,;10.3,.7,;11.45,1.74,;12.91,1.26,;14.05,2.29,;13.73,3.8,;12.27,4.27,;11.13,3.24,;9.66,3.72,;9.18,5.18,;10.09,6.43,;7.64,5.18,;7.17,3.72,;8.41,2.81,;8.41,1.27,;7.08,.5,;7.08,-1.04,;8.41,-1.81,;5.75,-1.81,;5.75,-3.35,;7.08,-4.12,;7.08,-5.66,;8.41,-6.43,;5.75,-6.43,;4.41,-5.66,;3.08,-6.43,;4.41,-4.12,)|
39331 CCn1cc(C(=O)Nc2cccc(c2)C(=O)OC)c(=O)c2ccc(C)nc12
39332 CCOC(=O)N1CCN(CC1)C1=CC(=O)OC11CCCCC1 |t:12|
39333 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ccc(NC(=O)CCC)nc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
39334 CCCn1c(SCC(=O)Nc2ccc3OCCOc3c2)nnc1-c1ccco1
39335 COc1ccc(OC)c(NS(=O)(=O)c2cccs2)c1
39336 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)OC
39337 Clc1ccc(cc1)S(=O)(=O)N1CN2CCN(C2)C1
39338 CCCC(CCC)C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C
39339 NC(COC(=O)[CH-][N+]#N)C(O)=O
39340 Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
39341 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
39342 CC(C[N+](C)(C)C)OC(N)=O
39343 COc1ccc(\C=C(\C#N)c2cccnc2)cc1OC
39344 CCN(CC)CCNC(=O)c1ccc(N)cc1
39345 O=C1NC(C(=O)[N-]1)(c1ccccc1)c1ccccc1
39346 CC(C)(S)[C@@H](N)C(O)=O
39347 CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl |c:17,t:13|
39348 CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)c2ccccc2)C(=O)C1=O
39349 CN(C(=S)Oc1ccc2ccccc2c1)c1cccc(C)c1
39350 CCn1nc(C(O)=O)c(=O)c2cc3OCOc3cc12
39351 NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O |c:12|
39352 CN1C2C(N(CN3CCCCC3)C1=O)N(CN1CCCCC1)C(=O)N2C
39353 CC(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc12)N=O
39354 CC1=C(C#N)C(=O)OC(C)(C)C1 |c:1|
39355 OC(CNCCCN1CCCCC1)COc1ccccc1
39356 Brc1cccc(c1)-c1cnc2CCCCCn12
39357 COc1ccc(cc1)-c1cn2ccsc2n1
39358 COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1CC=C
39359 CC(C)NCc1c(O)c(Br)cc2oc3CCCCc3c12
39360 COc1ccccc1-n1c(SCC(=O)N2CCOCC2)nc(O)c(Cc2ccccc2)c1=O |(3.08,-3.85,;4.41,-3.08,;5.75,-3.85,;5.75,-5.39,;7.08,-6.16,;8.41,-5.39,;8.41,-3.85,;7.08,-3.08,;7.08,-1.54,;8.41,-.77,;9.75,-1.54,;11.08,-.77,;12.42,-1.54,;12.42,-3.08,;13.75,-.77,;13.75,.77,;15.08,1.54,;16.42,.77,;16.42,-.77,;15.08,-1.54,;8.41,.77,;7.08,1.54,;7.08,3.08,;5.75,.77,;4.41,1.54,;4.41,3.08,;5.75,3.85,;5.75,5.39,;4.41,6.16,;3.08,5.39,;3.08,3.85,;5.75,-.77,;4.41,-1.54,)|
39361 Cn1cc(C(=O)NCN2CCCCC2)c2ccccc12
39362 C=CCC1(CN2CCCCCC2=O)C(=O)NC(=O)NC1=O
39363 COc1cc(cc(OC)c1OC)C1CC(n2ncc(C(O)=O)c2N1)C(F)(F)F
39364 Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nnc(o2)-c2ccco2)cc1
39365 CCSc1nnc(NC(=O)NCC(F)(F)F)s1
39366 NC(=O)c1ccc(cc1)-n1nnnc1SCc1ccc(F)cc1
39367 CCOC(=O)C(CC(O)=O)N1CCCCC1
39368 COc1cc(C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1
39369 CC(C)n1c(nc2cnccc12)-c1cccnc1
39370 CN(C)\C=C1\Sc2ccccc2C1=O
39371 CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCCCC3)c12
39372 CCc1nc(N)c(C#N)c(-c2cccn2C)c1C |(9.75,-4.26,;9.75,-2.72,;8.41,-1.95,;7.08,-2.72,;5.75,-1.95,;4.41,-2.72,;5.75,-.41,;4.41,.36,;3.08,1.13,;7.08,.36,;7.08,1.9,;8.33,2.8,;7.85,4.26,;6.31,4.26,;5.84,2.8,;4.37,2.32,;8.41,-.41,;9.75,.36,)|
39373 CCCCOCCCNC(=O)N[C@@H](CC(C)C)C(O)=O
39374 Cn1c2ccccc2c2nn(-c3ccccc3)c(=O)cc12
39375 COc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)Oc2ncn3nc(nc3c12)-c1cccnc1 |t:12|
39376 CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1
39377 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)OC1CCOC1=O
39378 Fc1ccc(cc1C(=O)OCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCOCC1
39379 CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCN(CC1)c1cccc(C)c1C
39380 CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(C)cc1
39381 COC(=O)CSC1=NC2=C(C(C1C#N)c1ccc(C)cc1)C(=O)CCC2 |c:8,t:6|
39382 CN(C)Cc1c(O)ccc2c1oc(C)c(-c1ccc3ccccc3n1)c2=O
39383 COC(=O)c1ccc(CSc2nnc(SCc3ccc(o3)C(=O)OC)s2)o1
39384 CC(N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1ncc(C)s1 |c:7|
39385 CCN1CCN(CNC(=O)c2cnccn2)CC1
39386 Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C
39387 [H]C12CC(C(=O)N(CC)CC(=O)Nc3ccccc3OC)C([H])(C1)C=C2 |c:26,THB:4:3:23:24.25|
39388 COc1cccc2cc(-c3csc(CCn4nc(C)cc4C)n3)c(=O)oc12
39389 Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc3nonc23)nc1
39390 O=C(N1CCN(Cc2ccccc12)C(=O)c1cccs1)c1ccco1
39391 COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)Oc1ccccc1)c1cccnc1
39392 COc1ccc2[nH]c(C(O)=O)c(CCNC(C)=O)c2c1
39393 CC(C)CCN1CC(CC1=O)C(=O)NCc1ccc(F)cc1
39394 COc1ccc(cc1)S(=O)(=O)n1nc(OC(=O)c2ccccc2Br)cc1N
39395 COc1cccc(NC(=O)CSc2nc3nnc(C)c3c(N)n2-c2cccc(OC)c2)c1
39396 Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1
39397 CCN1CCN(CC1)C(=O)C1C2N(CCc3ccccc23)C(=O)c2cc(OC)c(OC)cc12
39398 CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
39399 CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
39400 CCC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)CC(=O)OC
39401 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cn(C)c(=O)c2n(C)c3ccccc3c12
39402 COc1ccc(OC)c(c1)C1C(C(N)=O)C(C)=Nc2nc(nn12)-c1cccc(Cl)c1 |c:17|
39403 Cc1ncoc1C(=O)Nc1cc(Cl)ccc1C
39404 OCCN(CC(O)Cn1c2ccccc2c2ccccc12)S(=O)(=O)c1ccc(F)cc1
39405 [H]C12CC3OC(=O)C(C1C(=O)Nc1ccc(C)c(Cl)c1)C3([H])C2 |TLB:4:3:7.8:22,5:7:22:3.2,THB:9:8:22:3.2|
39406 Cn1nnc2cc(ccc12)C(=O)NC1CCCCC1
39407 CCN(Cc1ccccc1)C(=O)c1ccccc1C
39408 CCc1cccc2c(cn(CC(=O)NCc3ccco3)c12)C#N
39409 CNC(=O)c1nnc(Cc2ccc(F)cc2)o1
39410 NC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
39411 COc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3NC(=O)CCc3c2)c1
39412 O=C(N1CCN(CC1)c1ccc(nn1)N1CCOCC1)c1cc2ccccc2oc1=O
39413 COc1ccc(cc1)C(=O)c1oc2ccc(Br)cc2c1NC(C)=O
39414 COc1ccc(cc1)C1CC(c2cccc(C)c2)n2ncnc2N1
39415 Cc1csc2nc(CNC(=O)C3CC=CCC3C(O)=O)cn12 |c:13|
39416 COC(=O)c1c(NC(=O)C2CC2)sc2CCCCc12
39417 Cc1cccn2c1nc(Nc1ccc(Cl)cc1)c(\C=N\Cc1ccco1)c2=O
39418 [#6]-[#8]-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1
39419 CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1
39420 COc1cccc2c(O)c(cnc12)C(=O)NCc1cccs1
39421 Cc1ccc(o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1
39422 CCOc1ccc(OCC)c(NC(=O)CSc2nc3n(C)c(=O)n(C)c(=O)c3n2C(C)C)c1
39423 O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1
39424 Cn1c(NCc2ccccc2)ncc1-c1ccc2OCOc2c1
39425 CCN(CC)c1ccc(cc1)-n1cc2n(C)c(=O)n(C)c(=O)c2c1
39426 CCOC(=O)c1cnc2c(cnn2c1N)-c1ccccc1
39427 CC(=O)Nc1ccc(cc1)-c1nc2c(C)cccc2[nH]1
39428 Cc1ccc(o1)C(=O)Nc1ncc(Cc2ccccc2)s1
39429 Cc1cccnc1Nc1nc(cs1)-c1ccc(O)cc1O
39430 COC(=O)CSc1nc2cc(C)ccc2cc1C#N
39431 O=C(CSc1nc2ccccc2o1)Nc1nc2ccccc2s1
39432 C=CCn1c(c[nH]c1=S)-c1ccccc1
39433 CCOC(=O)c1[nH]c2ccc(C)cc2c1N
39434 CCOC(=O)c1cc2cc(OC)ccc2[nH]1
39435 CCOC(=O)CSc1nc(ccc1C#N)-c1ccncc1
39436 CCc1nnc(NC(=O)CSc2nc(C)c3CCCCc3c2C#N)s1
39437 CC(=O)n1c2ccccc2c2c(C#N)c(sc12)N1CCCCC1
39438 Cc1csc2nc(CSc3nc4ccccc4o3)cn12
39439 CC(=NC1CCCC1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:2.2|
39440 CC1(C)Cc2c(CO1)sc(NC(=O)c1ccc(Br)o1)c2C#N
39441 CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O |w:2.2|
39442 COc1ccc2C3Sc4ccccc4N3C(=O)c2c1OC
39443 Cc1ccc(cc1C)C(=O)Nc1nnc(s1)-c1cccs1
39444 COc1ccc(cc1OC)C(=O)CC=Nc1cccc(C)n1 |w:14.15|
39445 CCOC(=O)CSc1nc(ccc1C#N)-c1ccc2OCOc2c1
39446 CC(=O)Nc1ccc(cc1)-c1cc2ccccc2o1
39447 Clc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12
39448 COc1ccccc1Nc1nc2ccccc2[nH]1
39449 OCCOCCNc1ncnc2n(ncc12)-c1ccc(Cl)cc1
39450 CN(C)CCN1C(C(C(=O)c2cnn(c2C)-c2ccccc2)C(=O)C1=O)c1ccc(C)o1
39451 COc1ccc(cc1)-c1nc2c(Br)c(N)c(Br)cc2o1
39452 COc1cc(ccc1O)C1N(Oc2c(O)n(c(O)c12)-c1ccccc1)c1ccccc1
39453 COc1cc(N2CCCC2)c(OC)cc1C=c1sc2nc3ccccc3n2c1=O
39454 Nn1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cccnc1
39455 Cc1cnc(NC(=O)CSc2nnc(o2)-c2ccccc2)s1
39456 CCc1nc(Nc2ccc3nccnc3c2)c2oc3ccccc3c2n1
39457 O=C(Nc1nnc(s1)C1CCCCC1)c1ccco1
39458 Clc1ccc(OCc2nnc(SCn3nnc4ccccc4c3=O)n2Cc2ccco2)cc1
39459 CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1
39460 CCCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C
39461 O=C(COc1ncnc2ccccc12)c1ccc2OCCOc2c1
39462 O=C(Nc1ccc(cc1)-c1cn2ccsc2n1)C1CC1
39463 O=c1[nH]c2ccccc2nc1-c1cccs1
39464 CC(=N)C(C#N)C(=O)CSc1ccc2OCCOc2c1
39465 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)OCC(=O)c1cc(C)n(CCOC)c1C |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
39466 Cc1cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(C)n1CC=C
39467 Cc1cc(C(=O)OCC(=O)N2CCc3ccccc23)c(C)o1
39468 COc1ccc(NC(=O)c2ccc3OCOc3c2)cc1Cl
39469 C(Sc1nnc2ccccn12)c1ncc(o1)-c1ccccc1
39470 CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1
39471 COc1ccc(CNc2ccc(cc2)C(O)=O)cc1
39472 CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C
39473 CN(C)C=Nc1ncnc2n(ncc12)-c1ccc(cn1)C(F)(F)F |w:4.4|
39474 Fc1ccc2nc(Nc3nc4CCCCc4s3)sc2c1
39475 Nc1c(nnn1-c1ccccc1)C(=O)NCc1ccco1
39476 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(s1)-c1nc2ccccc2s1
39477 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sc2CCCc2c1C#N
39478 CC(=O)c1c(C)[nH]c(C(=O)NCCc2cccc(C)c2)c1C
39479 COC(=O)c1ccc(cc1)C(=O)C(C#N)c1nc2ccccc2s1
39480 CC(C)(C)n1ncc2c1ncn(CC(=O)NCc1ccccc1Cl)c2=O
39481 Cc1cccc(c1)-n1ccnc1SCC(=O)Nc1nccs1
39482 Cc1cc(no1)C(=O)Nc1sc2CC(CCc2c1C#N)C(C)(C)C
39483 COCC(C)NC(=O)c1noc-2c1CCc1cc(OC)ccc-21
39484 COc1ccc(cc1OC)-c1cc(no1)C(=O)N1CCCCC1
39485 COc1ccc2-c3onc(C(=O)N4CCCCCC4)c3CCc2c1
39486 CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
39487 CCc1nnc(NC(=O)CSc2nc3CCCc3cc2C#N)s1
39488 COc1ccc(CNC(=O)NC2CCCCC2)cc1
39489 Clc1cccc(NC(=O)Nc2ccc(CC#N)cc2)c1
39490 CCc1ccc(s1)C(=O)NCc1cccs1
39491 O=C(NCc1ccco1)c1cc2CCCCCc2s1
39492 [O-]N1C2CCCCC2[N+](=O)C=C1c1cc2ccccc2o1 |c:11|
39493 C(Cn1c2ccccc2c2nc3ccccc3nc12)N1CCOCC1
39494 COc1ccc(CCC(=O)Nc2ccc(cc2)-c2noc(n2)-c2ccc(OC)c(OC)c2)cc1
39495 O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1
39496 O=C(Nc1ccc2OCOc2c1)c1ccc(COc2ccc3CCCc3c2)o1
39497 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1nnc(SCC(=O)N(C)C)o1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
39498 Brc1ccc(o1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
39499 Fc1ccc(NC(=O)CNc2ccccc2)cc1
39500 CCCOC(=O)c1ccc(NC(=O)C2CCCO2)cc1
39501 Fc1ccc(OCc2ccc(o2)C(=O)Nc2nccs2)cc1
39502 CC(C)(C)c1cc(NC(=O)C2CCCO2)no1
39503 Fc1cnc(nc1N1CCc2ccccc12)N1CCOCC1
39504 CCOc1ccc(OCC)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1
39505 CCCc1cc(no1)C(=O)Nc1ccccc1SC
39506 CC(C)(CC(O)=O)Cc1nc(no1)-c1ccc(Cl)cc1
39507 CC(=O)c1cccc(NC(=O)c2cnn3ccccc23)c1
39508 CCOc1ccc(cc1)N1C(O)c2ccccc2C1=O
39509 COc1ccc(OC)c2sc(NC(=O)c3ccc(Br)s3)nc12
39510 [#8]-c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1
39511 CCCCC1CCC(CC1)c1nc(no1)-c1ccccn1 |(9.86,-7.75,;8.53,-6.98,;8.53,-5.44,;7.19,-4.67,;7.19,-3.13,;8.53,-2.36,;8.53,-.82,;7.19,-.05,;5.86,-.82,;5.86,-2.36,;7.19,1.49,;5.95,2.39,;6.42,3.86,;7.96,3.86,;8.44,2.39,;5.52,5.1,;3.99,4.94,;3.08,6.19,;3.71,7.59,;5.24,7.75,;6.14,6.51,)|
39512 COc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
39513 O=C(CSc1ccccn1)c1ccc2OCOc2c1
39514 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2ccccc2)-[#6](=O)-[#6]1
39515 CCCCOc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
39516 CCc1nnc(N=C2NS(=O)(=O)c3ccccc23)s1 |w:6.5|
39517 CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1
39518 O=C(N1CCN(CC1)c1ncnc2c(nsc12)-c1ccccc1)c1ccco1
39519 COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)sc2c1
39520 Cn1c(SCc2ccccc2F)nc2cccnc12
39521 CCOC(=O)CSc1nc2cc(OCC)ccc2cc1C#N
39522 CC1=CCC(COC(=O)Nc2ccccc2)CC1 |t:1|
39523 COc1ccccc1-c1nc(no1)-c1ccncc1
39524 CCOC(=O)Nc1ccc2Sc3ccccc3Nc2c1
39525 CCn1c(Cn2nnc(n2)-c2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(C)=O
39526 CC(C)CNS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2OCCOc2c1
39527 CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
39528 Cc1ccc(cc1)-c1nc(C#N)c(NCc2ccco2)o1
39529 O=C1N(CCCN2C(=O)C3(OCCO3)c3ccccc23)c2ccccc2C11OCCO1
39530 CC(Oc1ccc2c3CCCCc3c(=O)oc2c1C)C(C)=O
39531 Cc1cccn2cc(nc12)-c1ccccc1
39532 COc1ccc(cc1)C(=O)P(O)(O)CCc1ccccc1
39533 CCOc1ccc(cc1)-c1nc(C#N)c(NC2CC2)o1
39534 O=C(N1CCCCCC1)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
39535 CN1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
39536 COc1ccc(cc1)C(=O)n1c(nc2ccccc12)-c1ccco1
39537 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1nnc(NC(=O)c2ccco2)s1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5,5:6:11:3.12.2|
39538 CCc1nnc2c3cnn(-c4ccccc4)c3ncn12
39539 O=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc12
39540 Oc1coc2ccc(OCc3ccc(F)cc3)cc12
39541 Brc1ccc(o1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
39542 COc1ccccc1-c1nnc(NC(C)=O)s1
39543 COc1cccc(c1)-c1noc(n1)-c1cccs1
39544 Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1
39545 COc1cccc(c1)-c1noc(n1)-c1cccnc1
39546 CCn1c(nc2ccccc12)-c1ccc(cc1)N(C)C
39547 CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1
39548 Cn1cccc1C(=O)OCc1csc(n1)-c1ccccc1
39549 Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCC1CCCO1
39550 CCN(CCCNC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N(C)C)c1cccc(C)c1
39551 O=C(NCc1cccs1)c1noc2CCCCc12
39552 O=C(NC1CCCC1)c1cc(on1)-c1cccs1
39553 Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C |t:7|
39554 O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
39555 Clc1ccccc1OCCn1cnc2ccccc12
39556 Cc1cc(C)n(n1)-c1nc2cc(C)ccc2nc1Nc1ccc2[nH]c(=O)[nH]c2c1
39557 COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1
39558 CCCCOC(=O)C(C)Oc1ccc(=O)n(n1)-c1ccccc1
39559 COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
39560 COc1cc(C)c(cc1S(=O)(=O)n1cnc(C)c1)C(C)C
39561 Cc1noc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1Cl
39562 O=C(CSc1nnc[nH]1)Nc1nnc(s1)-c1ccccc1
39563 CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1
39564 COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
39565 Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
39566 COc1ccc(cc1)C(=O)Nc1cc(C)on1
39567 Oc1ccc(Cl)cc1C=Nc1nc2ccccc2[nH]1 |w:9.10|
39568 CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1 |w:4.4|
39569 COc1ccc(CCC(=O)Nc2ccc3OCCOc3c2)cc1
39570 COC(=O)C1CSC(CC(=O)Nc2sc3CCCCc3c2C(=O)OC)C(=O)N1
39571 CCOc1ccc(C=CC(C)N=O)cc1 |w:7.6|
39572 CC(C=Cc1ccc(OCC=C)cc1)N=O |w:3.3|
39573 Brc1cncc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1
39574 Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1
39575 CN(C)CCNc1ncnc2ccccc12
39576 [H]C12CCC([H])(CC(C1)NC(=O)NC13CC4([H])CC([H])(CC([H])(C4)C1)C3)N2Cc1nnnn1Cc1ccco1 |TLB:17:18:24:15.14.23,THB:20:18:14:21.24.23,20:21:14:18.25.17|
39577 CCOC(=O)C1CCN(CC1)c1cc(C)nc2cc(nn12)-c1cccc(F)c1
39578 O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)C(=O)c1ccco1
39579 CCCOc1ccccc1Cn1c2cc(C)ccc2oc1=O
39580 Cn1cccc1C(N(C(=O)Cc1cccs1)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
39581 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)c(OC)c1
39582 Cn1c(NCc2ccc(Cl)cc2)ncc1-c1ccc2OCOc2c1
39583 COc1ccc(Cl)cc1NC(=O)CN1CCC(CC1)n1nnc2cc(C)ccc12
39584 Cc1cc2nc([nH]c2cc1C)C1CCN(Cc2nnnn2Cc2cccs2)CC1
39585 COc1ccc(cc1)-c1cc(NCc2ccccn2)n2ncnc2n1
39586 Nc1[nH]nc2nc(NCc3ccccc3)c3CN(Cc4ccccc4)CCc3c12
39587 CCOC(=O)C1=C(N)c2ccccc2CC1C(C)C |c:5|
39588 O=NC(N1CCCCC1)P(=O)(N1CCOCC1)N1CCOCC1
39589 Cl.CC1(C)Cc2c(CO1)sc1nc3CCCCCn3c(=N)c21
39590 OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
39591 COc1ccc(OCC(O)Cn2c3ccccc3n(Cc3ccccc3)c2=N)cc1
39592 COc1ccc2n(CC(=O)NCc3ccco3)c(C)cc(=O)c2c1
39593 COc1cccc(c1)-c1nnc2SCC(=Nn12)c1cccc(Br)c1 |c:15|
39594 COC(=O)COc1nc(C)c(Br)c(OC)n1
39595 CC(C)n1c(nc2ccccc12)-c1ccc(cc1)N(C)C
39596 CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1OC
39597 OP(O)(=O)c1ccccc1OCc1ccccc1
39598 Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
39599 Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
39600 c1nn(-c2ccccc2)c2ncn3cnnc3c12
39601 Clc1ccc(cc1)S(=O)(=O)N1CCSC1c1ccco1
39602 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(F)cc1
39603 Clc1ccc(cc1)-c1nnn(CC(=O)NCCC2=CCCCC2)n1 |t:18|
39604 Clc1ccc(cc1)-c1nnn(CC(=O)NCC2CCCCC2)n1
39605 CCCc1cc(C(=O)Cc2ccc(o2)C(=O)OCC)c(O)cc1O
39606 CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CC(C)c3ccccc3)o2)c1C
39607 COc1ccc(cc1OC)-c1nnc(o1)-c1ccc(Br)o1
39608 CCCn1c(nc2ccccc12)C(O)c1ccc2OCOc2c1
39609 Cc1cc(C2N=C(N)Nc3nc4ccccc4n23)c(C)n1-c1ccc(C)cc1C |t:5,(5.56,-1.7,;6.82,-.81,;6.83,.73,;8.3,1.19,;8.8,2.65,;10.37,2.97,;10.86,4.5,;12.37,4.82,;9.78,5.68,;8.22,5.32,;6.97,6.23,;5.73,5.32,;4.16,5.68,;3.08,4.5,;3.58,2.97,;5.15,2.65,;6.2,3.86,;7.74,3.86,;9.19,-.07,;10.73,-.08,;8.28,-1.3,;8.73,-2.77,;10.24,-3.11,;10.7,-4.58,;9.65,-5.71,;10.11,-7.18,;8.15,-5.37,;7.69,-3.9,;6.19,-3.57,)|
39610 [H]C12CCN(CC1)C(Cc1ccc(O)c(O)c1)C2 |TLB:8:7:2.3:6.5,(7.09,2.4,;6.6,3.85,;2.76,2.16,;3.53,.83,;6.2,2.37,;9.02,1.2,;9.42,2.69,;4.69,5.16,;3.21,5.56,;2.81,7.05,;1.32,7.45,;.92,8.93,;2.01,10.02,;1.61,11.51,;3.5,9.62,;4.59,10.71,;3.9,8.14,;6.03,5.93,)|
39611 O=C(Cn1c2ccsc2c(=O)n(-c2ccccc2)c1=O)N1CCCC1
39612 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
39613 CCCCCCNS(=O)(=O)c1ccc(Cl)s1
39614 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1ccccc1
39615 CCc1ccc(NC(=O)c2cc(on2)-c2ccc(OC)cc2)cc1
39616 COCCNC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
39617 CNc1nnc(s1)-c1cc2ccccc2oc1=O
39618 Nc1nonc1-n1nnc(C(=O)c2ccccc2)c1-c1ccccc1
39619 COc1cc(NC(=O)c2ccc(o2)-c2ccc(Br)cc2)ccc1NC(=O)C(C)C
39620 Cc1nnc(SCCC(=O)Nc2nc(ns2)-c2ccccc2)s1
39621 COc1ccc(cc1)S(=O)(=O)NCCSCc1cccs1
39622 CCOC(=O)SC1=N\C(=C/c2ccc(cc2)N(C)C)C(=O)S1 |t:6|
39623 CCOc1ccccc1OCc1nn2c(nnc2s1)-c1ccc(C)cc1
39624 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
39625 Cc1cc(NC(=O)CCCSc2nc(cc(n2)C(F)(F)F)-c2ccco2)no1
39626 Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1 |c:4|
39627 Cc1c(Cl)cccc1NC(=O)NC1CCCCC1
39628 Oc1ccc(\C=C(/C#N)S(=O)(=O)c2ccccc2)cc1O
39629 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1cccnc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
39630 Fc1ccc(OCc2nc(no2)-c2ccc(Br)o2)c(F)c1
39631 CCCn1c(nc2ccccc12)C(O)c1ccc(OCC)cc1
39632 COc1cccc(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
39633 FC(F)(F)C1(NC(=O)NCc2cccnc2)Oc2ccc(Cl)cc2O1
39634 Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
39635 CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
39636 CCCCC(CC)CNC(=O)c1cccs1
39637 CC1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
39638 CCOc1cccc(NCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)c1
39639 COc1cccc(NCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)c1
39640 Cc1nc2sc3c([nH]c(O)cc3=O)c2c(C)c1C
39641 OC12NC(=O)N(CC=C)C1(O)c1ccccc1C2=O
39642 Clc1ccc(CSc2nnc(CNc3cccc(Cl)c3)o2)cc1
39643 Cc1ccc(Cn2c3ccccc3n(CC(O)COc3ccccc3)c2=N)cc1
39644 N=C1C(C#N)C2(CCCCC2)Cc2ccccc12
39645 Oc1c2CC=CCc2c(O)n1-c1nnc([nH]1)-c1ccccc1 |c:4|
39646 Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccccc1
39647 Cc1ccc(cc1)C1CC(=NNC1=O)c1ccc(Cl)cc1 |c:10|
39648 Cc1ccc(NC(=O)COc2ccccc2CNC(C)(C)CC(C)(C)C)cc1
39649 Clc1ccc2n(CSc3nc4ccccc4s3)c(=O)oc2c1
39650 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(n1)-c1ccccc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
39651 Clc1ccc(cc1Cl)-c1nnnn1-c1ccc(Cl)c(Cl)c1
39652 Cc1ccc(cc1)-n1cnc2cc(NCc3cccs3)ccc12
39653 Fc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
39654 Cc1cc(Nc2ccccc2)n(n1)-c1ccc(Br)cc1
39655 CCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
39656 Cc1ccc(N2CCN(CC2)C(=O)CCc2nc3ccccc3[nH]2)c(C)c1
39657 Fc1ccc(CNC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)cc1
39658 CCN(\N=N\c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
39659 Cc1ccc(C(=O)c2ccc(cc2)[N+]([O-])=O)c(C)c1
39660 Clc1ccc(CSc2nnnn2-c2ccc3OCOc3c2)c(Cl)c1
39661 Clc1ccccc1OCc1nc(no1)-c1ccc(Br)o1
39662 CCC(C)NC(=O)Nc1ccc2Sc3ccccc3C(=O)N(C)c2c1
39663 Cn1nc(CC(=O)NC2CCCCCCCCCCC2)c2ccccc2c1=O
39664 CCCCN1CCc2c1nc1ccc(Br)cc1c2N
39665 Cc1ccsc1\C=C1/CCc2ccccc2C1=O
39666 Cc1ccc(cc1)C(C#N)c1ccc(cc1)C(=O)c1ccc(F)cc1
39667 Fc1ccc(cc1)C(=O)c1ccc(cc1)C(C#N)c1ccccc1
39668 Cc1cc2cc(CNC(=O)Nc3cccc(C)c3)ccc2n1C
39669 Nc1cc(nn1S(=O)(=O)c1ccc(F)cc1)-c1ccccc1
39670 Clc1ccc(cc1)N1CCN(Cc2ccccc2Cl)CC1
39671 Cc1ccccc1NC(=NOCc1ccc(Cl)cc1Cl)c1nonc1N |w:9.10|
39672 COc1cccc(CNC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)c1
39673 COc1cccc(NC(=O)C2CCN(Cc3cnn(c3-n3cccc3)-c3ccccc3)CC2)c1
39674 Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1
39675 Cc1ccc(cc1)-n1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1nccs1
39676 Clc1ccc(cc1S(=O)(=O)NCc1ccccc1)S(=O)(=O)NCc1ccccc1
39677 C(CNc1ncnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1
39678 CC(N(Cc1ccco1)C(=O)Nc1ccc(Cl)c(Cl)c1)c1cccs1
39679 Cc1ccc(cc1)-n1c(C=O)c([n-]c1=O)-[n+]1ccccc1
39680 CCCN(\N=N\c1cccc(c1)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
39681 [O-][N+](=O)c1ccc(Sc2nnnn2-c2ccccc2)c(Cl)c1
39682 CCCCOC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
39683 CC1CCCC[C-]1\N=[NH+]\c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
39684 CC(C)(C)SCCNS(=O)(=O)c1ccc2ccccc2c1
39685 Clc1ccc(OCn2c3ccccc3sc2=O)cc1
39686 CNC(=O)c1cc2cc(OC)ccc2n1CCN(Cc1ccccc1)Cc1ccccc1
39687 CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
39688 Cc1cc(OCc2nc(no2)-c2cccs2)cc(C)c1Cl
39689 FC(F)(F)c1cc(nc(NCc2ccc(Cl)cc2)n1)-c1ccco1
39690 CCc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
39691 CN(C)c1ccc(\C=C\c2cc[n+](C)cc2)cc1
39692 CCc1ccc(CN=CCC(=O)c2ccc(Br)cc2)cc1 |w:7.6|
39693 CCN(CC)CCn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12
39694 CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1
39695 CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
39696 Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
39697 CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
39698 CCCCCCCCNc1ncnc2ccccc12
39699 COC(=O)c1c(O)c(=Cc2ccc(O)c(OC)c2)[nH]c1=C |w:8.8|
39700 CCSc1nc(cc(-c2cccs2)c1C#N)C1CC1
39701 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccc(CC)cc1
39702 COc1ccc(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)cc1OC |(8.41,-9.94,;7.08,-9.17,;7.08,-7.63,;8.41,-6.86,;8.41,-5.32,;7.08,-4.55,;7.08,-3.01,;8.41,-2.24,;9.75,-3.01,;8.41,-.7,;7.08,.07,;7.08,1.61,;8.41,2.38,;8.41,3.92,;9.75,4.69,;9.75,6.23,;10.84,7.32,;12.38,7.32,;13.15,8.65,;14.69,8.65,;15.46,7.32,;14.69,5.98,;13.15,5.98,;9.75,8.4,;9.75,9.94,;8.66,7.32,;7.12,7.32,;9.75,1.61,;9.75,.07,;5.75,-5.32,;5.75,-6.86,;4.41,-7.63,;3.08,-6.86,)|
39703 COc1ccc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)cc1OC |(8.41,-9.94,;7.08,-9.17,;7.08,-7.63,;8.41,-6.86,;8.41,-5.32,;7.08,-4.55,;7.08,-3.01,;8.41,-2.24,;9.75,-3.01,;8.41,-.7,;7.08,.07,;7.08,1.61,;8.41,2.38,;8.41,3.92,;9.75,4.69,;9.75,6.23,;10.84,7.32,;12.38,7.32,;13.15,5.98,;14.69,5.98,;15.46,7.32,;17,7.32,;14.69,8.65,;13.15,8.65,;9.75,8.4,;9.75,9.94,;8.66,7.32,;7.12,7.32,;9.75,1.61,;9.75,.07,;5.75,-5.32,;5.75,-6.86,;4.41,-7.63,;3.08,-6.86,)|
39704 CC(C)c1ccc(OC(=O)c2cccs2)cc1C
39705 CCOc1ccc(cc1)S(=O)(=O)NCCSc1ccccc1
39706 O=C(CSc1nsc(SCC(=O)OCc2ccccc2)c1C#N)OCc1ccccc1
39707 CCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 |t:17|
39708 CN1c2ccccc2C(C)(C)[C@@]11Oc2ccc(O)cc2C=C1 |c:23|
39709 CCCCCCCCOC(=O)C(NC(=O)CCC(=O)Nc1ccc(cc1)S(N)(=O)=O)C(O)c1ccccc1
39710 Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1
39711 COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O
39712 COc1ccc(Cl)cc1NC(=O)C(C)N1CCN(C\C=C\c2ccccc2)CC1
39713 C=CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
39714 CCCCNC(=S)NN(c1ccccc1)c1ccccc1
39715 CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|
39716 CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:14.15,3.2|
39717 CCC(C)c1ccc(cc1)-c1cc(C(=O)OCC(=O)Nc2cc(C)on2)c2ccccc2n1
39718 CCN1\C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:7|
39719 Cc1cc(Nc2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1
39720 CCOC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc21
39721 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6]-[#8]-c3ccc4-[#8]-[#6]-[#8]-c4c3)c3ccccc23)-[#6](=O)-[#7]-1
39722 Brc1ccc(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)cc1 |w:6.6|
39723 Brc1cccc(CN2CCCCCCC2)c1
39724 C(Cc1ccncc1)SCc1ccccc1
39725 Cc1cccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
39726 Clc1ccc(CSCCc2ccncc2)cc1
39727 O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1
39728 CN(C)C(\C)=C/c1oc2ccc(O)cc2c1[N+]([O-])=O
39729 Oc1ccc(cc1\C=C1\NC(=S)NC1=O)[N+]([O-])=O
39730 Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
39731 CC(CCc1ccccc1)NC(=O)c1ccc(cc1)C(=O)NC(C)CCc1ccccc1
39732 O=C(Oc1ccc(cc1)C(=O)Nc1ccccc1)c1cc2ccccc2o1
39733 Cc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1 |w:6.6|
39734 Cc1cc(Nc2ccccc2)n(n1)-c1cccc(Cl)c1
39735 CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
39736 CCCCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
39737 O=C(OCc1ccc(cc1)C#N)C1CCC(=O)N1
39738 CC1Cc2ccccc2N1C(=O)CSc1nnc(Cc2ccccc2)n1CCc1ccccc1
39739 Brc1ccc2=NC(=O)C(NN=CC3=C(N4CCOCC4)C(CC3)=Cc3ccccc3)=c2c1 |w:10.9,23.25,c:12,32,t:4|
39740 CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)C1
39741 Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC(=O)NC2CCCc3ccccc23)CC1
39742 COc1cc(C=c2[nH]c3=CCCCCn3c2=O)ccc1O |w:5.4,t:8|
39743 Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3)s2)no1
39744 Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1
39745 O=C(C[n+]1cc2ccccc2c2ccccc12)c1ccccc1
39746 O=P(CCCCCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
39747 CCn1nc(C)c(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C |w:8.8|
39748 CCn1cc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c(C)n1 |w:6.6|
39749 FC(F)Oc1cccc(c1)C(=O)Nc1cc(Cl)cc(Cl)c1
39750 CCOc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O |c:11|
39751 Cc1ccc2[nH]c3c(CC\C(=C\c4ccccc4)C3=O)c2c1
39752 Cc1nn(C)cc1C=NNC(=O)c1ccc2n(Cc3ccccc3)c(C)c(C)c2c1 |w:8.9|
39753 FC(F)Oc1cccc(c1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1
39754 CCn1ncc(C=NNC(=O)c2ccc3n(Cc4ccccc4)c(C)c(C)c3c2)c1C |w:7.7|
39755 CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F
39756 COc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1ccc(F)cc1)C(=O)c1ccn[nH]1
39757 CCC1CCc2c(O1)c1ccccc1[nH]c2=O
39758 Cc1ccsc1C=NNC(=O)CSCc1ccc(C)cc1 |w:7.8|
39759 CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
39760 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1
39761 CN1C(=S)NC(=O)\C(=C\c2ccc(o2)N2CCCCC2)C1=O
39762 CCOc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 |w:12.11|
39763 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|
39764 COC(=O)c1cn[nH]c1NC(=S)Nc1ccccc1C
39765 Clc1ccc(cc1)-c1cc(CSc2cccc(Cl)c2)on1
39766 COc1ccc(cc1)C(N(C(=O)c1snc(c1N)-c1ccc(F)cc1)c1cccc(F)c1)C(=O)NC1CCCC1
39767 CN(C)c1ccc(C=c2c(=C)[nH]n(Cc3ccccc3)c2=O)cc1
39768 CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1cccc(N)c1 |w:3.3|
39769 Cc1cc(C)cc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
39770 Cc1nc(NC(=O)\C=C\c2ccccc2)sc1C(=O)Nc1ccccc1Cl
39771 [O-][N+](=O)c1ccc(N2CCNCC2)c2ncccc12
39772 Clc1ccc(CN2CCCCCCC2)cc1Cl
39773 CCN1\C(Sc2ccccc12)=C\c1ccc2cccc(C)c2[n+]1CC
39774 [O-][N+](=O)c1ccccc1N=NCc1ccccc1Cl |w:9.9|
39775 CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1
39776 NS(=O)(=O)c1ccc(NCc2ccccc2OCc2ccc(F)cc2)cc1
39777 [H]C12CCCC([H])(CC(C1)NC(=S)Nc1ccccc1CC)N2Cc1cccs1
39778 Cc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
39779 Nc1cc(N2CCCCC2)c(Cl)cc1[N+]([O-])=O
39780 Cc1[nH]c2ccccc2c1\C=C\c1cc[n+](C)cc1
39781 CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1 |t:27|
39782 CCNc1nc(Cl)nc(NCc2ccccc2)n1
39783 Clc1ccc(\C=C\c2nc3ccccc3[nH]2)c(Cl)c1
39784 Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccccc2)C1=O |w:14.15|
39785 Cc1ccc2oc(N)c(C=O)c(=O)c2c1
39786 COc1cccc(OCCNc2cc(Cl)ccc2[N+]([O-])=O)c1
39787 CCc1ccc(NSc2ccccc2[N+]([O-])=O)cc1
39788 CC(CNc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccccc1Br
39789 CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O
39790 CCCc1nc2c(C)cc(C)cc2c(N)c1CC
39791 Brc1cncc(c1)C(=O)Oc1ccc2c(c1)occ(Oc1ccc3ccccc3c1)c2=O
39792 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
39793 Cc1cc(ccc1NCc1ccc2ccccc2c1)[N+]([O-])=O
39794 CN(C)c1ccc(\C=C\C(=O)c2cccc(Br)c2)cc1
39795 Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)n1 |w:13.13|
39796 [O-][N+](=O)c1ccc2nc(SCc3ccccc3Cl)sc2c1
39797 CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
39798 Cc1cc(C=NNC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1cccc(C)c1 |w:5.5|
39799 COc1cc(\C=C2\CCC\C(=C/c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O
39800 CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1
39801 COc1cccc(C=NNC(=O)CCc2ccccc2)c1 |w:8.8|
39802 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccccc1)-c1ccccc1 |w:8.9|
39803 Clc1ccc(OCc2cccc3ccccc23)c(CN=O)c1
39804 Cc1ccccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1
39805 CSc1cccc(NC(=O)\C=C\c2ccccc2)c1
39806 Cc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
39807 Cc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
39808 OB(O)CNC=O
39809 OB(O)CNC(=O)Cc1ccccc1
39810 OB(O)CNC(=O)COc1ccccc1
39811 CC(Oc1ccccc1)C(=O)NCB(O)O
39812 CCOc1ccc2ccccc2c1C(=O)NCB(O)O
39813 OB(O)CNC(=O)CCl
39814 OB(O)CNC(=O)CSc1ccncc1
39815 CC(C)(C)OC(=O)C(C)(C)O\N=C(\C(=O)NCB(O)O)c1csc(S)n1
39816 CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(S)n1)C([O-])=O
39817 OB(O)O
39818 CB(O)O
39819 Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O
39820 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1
39821 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O
39822 OB(O)c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1
39823 OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
39824 OB(O)c1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2N(=O)=O)c1
39825 OB(O)c1cccc(NS(=O)(=O)c2cccc3ccccc23)c1
39826 Cn1ncc(c1Cl)S(=O)(=O)Nc1cccc(c1)B(O)O
39827 OB(O)c1cccc(NS(=O)(=O)c2cccc3NSNc23)c1
39828 OB(O)c1cccc(NC(=O)c2ccc(cc2)C(F)(F)F)c1
39829 OB(O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1
39830 OB(O)c1cccc(NC(=O)c2cc3ccccc3s2)c1
39831 OB(O)c1cccc(NC(=O)c2ccc(o2)N(=O)=O)c1
39832 CN(C)S(=O)(=O)Nc1cccc(c1)B(O)O
39833 OB(O)c1cccc(NC(=O)CCl)c1
39834 OB(O)c1cccc(NC(=O)OCc2ccccc2)c1
39835 OB(O)c1cccc(NC(=O)c2cccc(c2)C#N)c1
39836 OB(O)c1cccc(NC(=O)c2ccc(cc2)N(=O)=O)c1
39837 OB(O)c1cccc(NC(=O)c2cccc(c2)N(=O)=O)c1
39838 OB(O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
39839 OB(O)c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
39840 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2ccon2)c1
39841 CC(=O)c1sccc1S(=O)(=O)Nc1cccc(c1)B(O)O
39842 COc1ccc(cc1)C(=O)Nc1cccc(c1)B(O)O
39843 OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)-c2cc(n(n2)C(F)(F)F)C(F)(F)F)c1
39844 OB(O)c1cccc(NC(=O)c2ccc(cc2)C#N)c1
39845 OB(O)c1cccc(NC(=O)Cc2cccs2)c1
39846 OB(O)c1cccc(NS(=O)(=O)c2cc(c(Cl)s2)N(=O)=O)c1
39847 OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)s2)c1
39848 OB(O)c1cccc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)c1
39849 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1
39850 OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1
39851 OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
39852 OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c1
39853 OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)N(=O)=O)c1
39854 OB(O)c1cccc(NS(=O)(=O)c2ccc(cc2)N(=O)=O)c1
39855 Nc1cccc(c1)S(=O)(=O)Nc1cccc(c1)B(O)O
39856 OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1
39857 OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1
39858 COc1ccc(OC)c(NC(=O)CCN2CCCC(C)C2)c1
39859 NC(=O)c1cc(N)ccc1N1CCCC1
39860 COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(OC)cc1)c1ccncc1
39861 CCOc1ccc2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CC3)cc2c1
39862 CC(Cc1ccccc1)N(C)CC#C
39863 Cc1csc(NC(=O)CSc2nsc(SCC(=O)Nc3nc(C)cs3)c2C#N)n1
39864 COc1ncnc2SC3=C(N)CC(C)(C)CC3=Nc12 |c:8,17|
39865 OC(CN(c1ccccc1)c1ccccc1)CN1CCOCC1
39866 CN1CCc2c(C1)sc(N=Cc1ccco1)c2C(N)=O |w:9.9|
39867 Cc1ccc(cc1)C(=O)NCC(C)(C)O
39868 CCOc1ccc(cc1)-n1c(O)c(C=NCCN2CCNCC2)c(=O)[nH]c1=O |w:14.15|
39869 COc1ccc(Nc2cc(C)nc3ccccc23)cc1
39870 CC1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
39871 CCCCC1(CC(CN2CCOCC2)OC1=O)C(=O)OCC
39872 CN1C(=S)SC(N(O)C(=O)Nc2ccccc2)C1(C)C
39873 Nc1nonc1C(=O)NCCN=Cc1cc(Cc2ccccc2)cc(Br)c1O |w:11.11|
39874 COc1ccc(C(=O)Oc2ccc(cc2)C(C)=O)c(OC)c1
39875 Cc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccccn1
39876 CC(N=O)C(=O)NCc1ccccn1
39877 CCOC(=O)N1CCC(CC1)NC(=O)CSCc1nc(oc1C)-c1ccc(OC)c(OC)c1
39878 CCOc1ccc(cc1)-n1cc(C(=O)N2CCN(C)CC2)c2cc(OC)c(OC)cc2c1=O
39879 COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCc2ccccc12
39880 CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
39881 CC1Cc2c(S1)c1cc(ccc1nc2C)C(O)=O
39882 [H]C12CCC(CS(=O)(=O)N(C)C)(C(=O)C1)C2(C)C |TLB:13:12:15:3.2|
39883 Cc1nc2nc(Cc3ccccc3)[nH]n2c(=O)c1Cc1ccccc1
39884 CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O
39885 O=C(Cn1cc2CCCCc2n1)NCc1ccccn1
39886 OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21 |t:3|
39887 COC(=O)C1=C(C)N(C)C(C)=C(C1c1ccc(cc1)C(=O)OC)C(=O)OC |c:4,10|
39888 CNC(=O)C(Sc1ccccc1)c1ccccc1
39889 COc1ccc2[nH]c3nc(SCc4nnc(o4)-c4ccc(C)cc4)nnc3c2c1
39890 O=C(CSc1nnc([nH]1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1nccs1
39891 O=C(Nc1cnc2ccccc2c1)c1ccco1
39892 COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccco2)n1
39893 COc1cc(cc2OCOc12)C1C(C#N)C(=N)Oc2cc(C)oc(=O)c12
39894 COc1cccc(OCc2nnc(SCC(=O)NCc3ccco3)n2CCc2ccccc2)c1
39895 CCC(C)n1[nH]c(=O)cc1N
39896 Nc1oc(c(c1C#N)-c1ccc2OCOc2c1)-c1ccc2OCOc2c1
39897 CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4OCOc4c3)C(=O)c3ccco3)cc2c1
39898 O=c1[nH]c2cc3OCCOc3cc2cc1CN(Cc1cccs1)Cc1nnnn1Cc1ccco1
39899 COc1cc(cc(OC)c1OC)-c1nnc(o1)-c1ccc(cc1)S(=O)(=O)c1ccccc1
39900 CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
39901 Cc1nnc(NC(=O)Cc2cccs2)s1
39902 CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1
39903 COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1
39904 COc1ccc(NC(=O)c2ccco2)cc1N
39905 Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)c2ccccc2F)o1
39906 CC1Cc2ccccc2N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1
39907 Cc1ccc(o1)-c1nnn(CC(=O)Nc2ccc3nn(nc3c2)-c2ccccc2)n1
39908 COc1cc2cc(C(N3CCc4ccccc34)c3nnnn3C3CCCC3)c(=O)[nH]c2cc1OC
39909 Cc1sc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)c(C#N)c1C
39910 Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
39911 CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(cc2C1)C#N
39912 CCOC(=O)[N-]c1cn(n[o+]1)N1CCOCC1
39913 CC(=O)N(C(C)=O)c1c(C#N)c(C)n(c1C(=O)c1ccccc1)-c1ccccc1
39914 CC(OC(=O)COc1ccc(Cl)cc1C)C(=O)N(C)C
39915 Oc1ccc(Cl)cc1NC=C1C(=O)CC(CC1=O)c1ccco1 |(3.91,-3.81,;5.24,-4.58,;5.24,-6.12,;6.57,-6.89,;7.91,-6.12,;9.24,-6.89,;7.91,-4.58,;6.57,-3.81,;6.57,-2.27,;7.91,-1.5,;7.91,.04,;6.57,.81,;5.24,.04,;6.57,2.35,;7.91,3.12,;9.24,2.35,;9.24,.81,;10.58,.04,;8.68,4.45,;8.05,5.86,;9.2,6.89,;10.53,6.12,;10.21,4.61,)|
39916 CC1(C)Cc2c(CO1)sc1c3nnnn3c3nnnn3c21
39917 CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3ccc(N)cc3)cc12
39918 Cc1nc2ccccc2c(=O)n1N=Cc1c(O)ccc2oc3CCCCc3c12 |w:12.13|
39919 Cc1c(Br)cc(C(=O)NCc2ccco2)c(C)c1C
39920 [H]C12CC([H])(C=C1)C1C2C(=O)N(CN(C(=O)c2ccco2)c2ccc(OC)cc2)C1=O |c:5,TLB:29:7:2:5.6,THB:9:8:2:5.6|
39921 COc1ccc(cc1)C1CC(=Nc2nc(NC(C)=O)nn12)c1ccc(Cl)cc1 |c:11|
39922 COCCNC(=O)c1c(N)n(N=Cc2cccs2)c2nc3ccccc3nc12 |w:11.10|
39923 COc1cccc(c1O)-c1nc(NCC=C)c2ccccc2n1
39924 Nc1ccccc1NC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O |w:8.8,t:19|
39925 Cc1cc(C)nc(NC(=O)CSc2nn(C)c(=S)s2)n1
39926 Clc1ccc(NC(=O)C(C#N)c2nc3ccccc3[nH]2)cc1
39927 CCOc1cccc(c1)-c1nnc2sc(nn12)-c1cc(OC)c(OC)c(OC)c1
39928 Nc1nc(nn1-c1ccccc1)-n1c(O)c2CC=CCc2c1O |c:19|
39929 COc1ccc(cc1)-n1c(SCC(=O)Nc2nccs2)nc2sc3CN(C)CCc3c2c1=O
39930 O=S(=O)(N1CCCCCC1)c1cccc(c1)-c1cn2cccnc2n1
39931 Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)[nH]c1=O
39932 CSc1nc(NCCOCCO)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1
39933 CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1
39934 CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-]
39935 CCCc1cc(-n2ccnc2)n2c(nc3ccccc23)c1C#N
39936 COc1ccc(OC)c(c1)-n1c(O)c2o[nH]c(-c3ccccc3Cl)c2c1=O |(3.08,-4.13,;4.62,-4.13,;5.39,-2.79,;4.62,-1.46,;5.39,-.13,;6.93,-.13,;7.7,1.21,;6.93,2.54,;7.7,-1.46,;6.93,-2.79,;9.24,-1.46,;10.15,-2.71,;9.67,-4.17,;11.61,-2.23,;13.07,-2.7,;13.97,-1.46,;13.07,-.22,;13.55,1.24,;12.52,2.39,;13,3.85,;14.5,4.17,;15.53,3.02,;15.05,1.56,;16.08,.41,;11.61,-.69,;10.15,-.21,;9.67,1.25,)|
39937 Brc1ccc(o1)-c1nc2ccc(cc2[nH]1)N1C(=O)c2ccccc2C1=O
39938 C1Cc2[nH]nc(c2C1)-c1nnc2sc(nn12)C1CCCCC1
39939 O=C(Nc1ccc2n3CCSCc3nc2c1)c1ccco1
39940 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)c1
39941 COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2ccc(C)cc2O)c1
39942 NC(=O)c1ccccc1OCC1CC(=NO1)c1ccccc1 |c:14|
39943 CC(=N)C(C#N)C(=O)CSc1nnc(COc2ccccc2Cl)o1
39944 Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
39945 Cc1ccc(Nc2nnc(SCC(=O)NCc3ccco3)s2)cc1
39946 Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C
39947 CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nnc1-c1cccs1
39948 CCN1CCc2nc(NC(=O)Cc3ccc4OCCOc4c3)sc2C1
39949 CCc1ccc2nc(NC(=O)c3ccc4c(c3)nc(CN3CCOCC3)[nH]c4=O)sc2c1
39950 CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1
39951 CCCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:9|
39952 CCc1cc2c(nc(SCC(=O)NC(=O)NCc3ccco3)n(CC=C)c2=O)s1
39953 O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1
39954 Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1
39955 CCCn1nc(C(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)c2ccccc2c1=O
39956 COC(=O)c1cc(NC(=O)Cn2c3ccccc3ncc2=O)cc(c1)C(=O)OC
39957 Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1C1COc2ccccc2O1
39958 COc1ccc(cc1)-c1nnc(SCC(=O)C(C#N)C(C)=N)o1
39959 Cc1nnc(Oc2ccccc2F)c2ccccc12
39960 CCC1(C)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
39961 Fc1ccc(cc1)-c1csc(SCC(=O)NC(=O)NCc2ccco2)n1
39962 Cc1cccc(c1)-n1c(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
39963 Cc1onc(c1C(=O)OCC(=O)NCc1ccco1)-c1c(F)cccc1Cl |(7.42,4.12,;6.52,2.87,;4.98,2.87,;4.5,1.41,;5.75,.5,;6.99,1.41,;8.46,.93,;9.49,-.21,;9.6,1.96,;11.07,1.49,;12.21,2.52,;11.89,4.02,;13.68,2.04,;14.82,3.07,;16.29,2.6,;16.76,1.13,;18.3,1.13,;18.78,2.6,;17.53,3.5,;5.75,-1.04,;7.08,-1.81,;8.62,-1.81,;7.08,-3.35,;5.75,-4.12,;4.41,-3.35,;4.41,-1.81,;3.08,-1.04,)|
39964 Cc1cccc(OCc2nnc(SCC(=O)NC(=O)NCc3ccco3)n2CC=C)c1
39965 CCCn1c(N)c(-c2nc(-c3ccco3)c(s2)C(=O)c2ccccc2)c(=O)n(C)c1=O
39966 Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1
39967 FC(F)Oc1ccc(cc1)-c1nnc(SCC(=O)NC(=O)NCc2ccco2)o1
39968 FC(F)(F)c1cccc(SCC(=O)NC(=O)NCc2ccco2)c1
39969 O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1
39970 O=C(CCC(=O)c1cccs1)Nc1nnc(s1)C1CC1
39971 CC1CCCN(C1)C(=O)COC(=O)c1n[nH]c2ccccc12
39972 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc2CCCc2s1
39973 COc1ccc(cc1)-n1c(SCC(=O)Nc2ccc3OCOc3c2)nnc1C(C)N1CCCCC1
39974 O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1
39975 Cc1ccc(s1)C(=O)NCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
39976 CCSc1nnc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)s1
39977 Cc1nc2sccn2c1-c1nc(cs1)-c1cc2ccccc2o1
39978 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(nc2ccccc12)-c1ccco1
39979 CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc2ccccc2c(=O)[nH]1
39980 NC(=O)c1c(NC(=O)c2cc3ccccc3o2)sc2CCCc12
39981 COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
39982 COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)ccc1O |w:9.11|
39983 Brc1ccccc1-c1nnc(CSc2nnnn2-c2ccccc2)o1
39984 CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:8|
39985 Cc1cccc2c(C)cc(SCC(=O)NC(=O)NCc3ccco3)nc12
39986 CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4OCOc4c3)nc12
39987 CSCCC1NC(=O)NC1=O
39988 Cc1ccc(cc1C(=O)Nc1nnc[nH]1)S(=O)(=O)N1CCCCC1
39989 CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccc(OC(F)F)cc1
39990 O=C(OCn1nnc2ccccc2c1=O)c1cn(nc1-c1cccnc1)-c1ccccc1
39991 O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)NCc1ccco1
39992 COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
39993 Clc1ccc2sc(SCC(=O)NC(=O)NCc3ccco3)nc2c1
39994 COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1
39995 Cc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)NCc2ccco2)cc1
39996 CC(C)CC(=O)Nc1ccc(cc1)C(=O)COc1ccc(cc1)-c1nnco1
39997 Cc1cc(no1)C(=O)OCC(=O)c1ccc(Br)s1
39998 CC(=N)C(C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N
39999 O=C(COC(=O)CCOc1ccccc1)NCc1ccco1
40000 COc1cc(cc(OC)c1OC)C(=O)OCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
40001 CCc1nnc(NC(=O)C2Cc3ccccc3CN2S(=O)(=O)c2cccs2)s1
40002 COc1ccc(C(=O)CSc2nnc(C3CCCCC3)n2N)c(OC)c1
40003 CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1
40004 O=C(Cc1coc2cc3CCCc3cc12)OCc1cc(=O)n2c(n1)sc1ccccc21
40005 CCC1(CC)NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
40006 [#6]-[#6]-[#6]-[#16]-c1nc(-[#6])c(cc1C#N)-c1csc(n1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1
40007 COc1ccc(Cl)cc1NC(=O)c1ocnc1C
40008 CCOc1ccccc1C=c1sc2nc(nn2c1=O)-c1ccco1
40009 O=C(NCc1ccco1)c1cc2ccccc2c(=O)o1
40010 COc1ccccc1C=c1sc2nc(nn2c1=O)-c1ccco1
40011 O=C(N1CCc2ccccc2C1)c1cc(on1)-c1ccco1
40012 CCOc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)cc1OCC
40013 [H]C12CC(C)(Oc3ccccc13)N(C)C(O)=C2C(=O)\C=C\c1ccc(OC)cc1 |c:17,TLB:13:12:2:5.11.6,THB:10:11:2:12.16.14,17:16:2:5.11.6|
40014 Cc1ccc(o1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
40015 COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(cc1)N(C)C
40016 O=C(NCc1ccco1)c1cc2CSCc2s1
40017 O=C1CC(\C=C\c2ccco2)=Nc2ccccc2N1 |c:11|
40018 COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(C)c(C)c2)o1
40019 Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
40020 COc1ccc2nc3oc(cc3cc2c1)C(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
40021 COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C
40022 Cn1ccnc1SCC(=O)Nc1ccc2nc(SCC(=O)NC3CC3)sc2c1
40023 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n(CC=C)c2=O
40024 [#6]-[#6](=O)-[#7]-c1nc(\[#6]=[#6](\Cl)Cl)cs1
40025 COc1cc(C=c2sc3nc(nn3c2=O)-c2ccncc2)ccc1OC(C)=O
40026 CCOCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1cccc(OC)c1
40027 Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O
40028 O=C(Nc1cccc(c1)-c1cn2cccnc2n1)c1ccc2OCOc2c1
40029 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccc2OCOc2c1
40030 CCOc1cccc2cc(-c3cn4cc(C)ccc4n3)c(=O)oc12
40031 O=C(Nc1ccc(cc1)-n1nncc1-c1ccco1)c1cc2ccccc2oc1=O
40032 Cc1ccc2OCC(=O)N(CC(=O)NC3CCCc4ccccc34)c2c1
40033 Clc1ccc(CNC(=O)c2cc(on2)-c2cccs2)cc1
40034 CN1C(=O)CSc2ccc(NC(=O)N3CCC(CC3)N3CCCCC3)cc12
40035 COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NCc2ccc3OCOc3c2)cc1
40036 CC(=O)Nc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:10.10|
40037 OC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccccn1 |c:11|
40038 COc1ccc(Br)cc1CNC(=O)C1CCCN(C1)c1nc2ccccc2o1
40039 N=C1OC2=C(CCC\C2=C\c2ccoc2)C(C1C#N)c1ccoc1 |t:3|
40040 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCC2(CC1)OCCO2
40041 CCOc1cccc2cc(-c3nnc(NCc4ccco4)s3)c(=O)oc12
40042 CCOC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)n1C
40043 CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCOC)c(O)c2c1
40044 Cc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)o1
40045 Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1
40046 Cc1ccc(CNc2nc3ccccc3n3nnnc23)cc1
40047 COc1ccc(CNC(=O)c2cc(on2)-c2cccs2)cc1
40048 OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1
40049 Brc1ccc(cc1)-n1c(SCC(=O)Nc2nccs2)nc2CCSc2c1=O
40050 CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC
40051 COc1ccc(cc1OC)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
40052 COC(=O)COc1ccc(cc1)S(=O)(=O)Nc1ccc2OCOc2c1
40053 Cc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1
40054 COC(=O)Oc1c(Br)c(=O)oc2ccccc12
40055 CC(NC(=O)c1cccs1)c1nnc(SCC(=O)NC2CCCCC2)n1CC=C
40056 Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)Nc1ccc2OCOc2c1
40057 CCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1
40058 CCOC(=O)C1CCCN(C1)C(=O)c1cc2ncc(Br)cn2n1
40059 O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)NCC1CCCO1
40060 Clc1ccc(NC(=O)COc2ccccc2)cc1-c1nc2ncccc2o1
40061 COc1ccc2c3ccc(OCC(=O)N4CCC(C)CC4)cc3oc(=O)c2c1
40062 Brc1cnc2cc(nn2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
40063 Cc1cc(C)c2nc(cc(C(=O)NCc3ccco3)c2c1)-c1ccccn1
40064 CCn1c(SCC(=O)Nc2ccc3n(CC)c4ccccc4c3c2)nnc1-c1cnccn1
40065 Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1
40066 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nnc(-c2cc(Cl)ccc2O)n1C
40067 O=C(Cc1cccs1)Nc1ccccn1
40068 Cc1ccc(cc1C)-n1nnnc1SCC(=O)Nc1ccc2C(=O)OCc2c1
40069 O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)c1ccc2OCOc2c1
40070 COc1ccc(cc1NC(=O)Cn1nc(C)c2ccccc2c1=O)-c1nn(C)c(=O)c2ccccc12
40071 Fc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1
40072 CC1CC(n2nc(cc2N1)C(O)=O)C(F)(F)C(F)(F)F
40073 COC(=O)c1cnn2c(cc(nc12)-c1ccco1)C(F)(F)F
40074 COc1cccc(c1)-c1nnc(NC(=O)Cc2cccs2)s1
40075 O=C(CSc1nnc([nH]1)-c1ccco1)Nc1sc2CCCCc2c1C(=O)Nc1ccccc1
40076 CN(c1ccccc1C(O)=O)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
40077 CSc1ccc(cc1)S(=O)(=O)Nc1cccc(F)c1
40078 CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc2OCOc2c1
40079 Cn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccccc1
40080 CCOCC(=O)Nc1cccc(c1)C(=O)OCC
40081 Cc1occc1C(=O)Nc1ccccc1NC(=O)c1ccoc1C
40082 CSc1ccc(cc1)S(=O)(=O)Nc1c(C)cccc1C
40083 CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1
40084 Cc1ccc(C)n1-c1ccc(cc1C)C(O)=O |(3.08,3.19,;4.54,3.66,;5.02,5.13,;6.56,5.13,;7.04,3.66,;8.5,3.19,;5.79,2.76,;5.79,1.22,;7.12,.45,;7.12,-1.09,;5.79,-1.86,;4.46,-1.09,;4.46,.45,;3.12,1.22,;5.79,-3.4,;7.12,-4.17,;4.46,-4.17,)|
40085 Oc1ccc(O)n1-c1ccc(OC(=O)c2ccco2)cc1
40086 O=c1n2CCCCNc2nc2ccccc12
40087 CSCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
40088 COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O
40089 COc1ccc(cc1)N1Cc2cccc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2C1=O
40090 COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
40091 C\C=C\COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
40092 Cc1cccc(N2CCN(CC2)c2nc3ccccc3n3cnnc23)c1C
40093 Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCc1ccccc1
40094 COc1cc(OC)nc(NC(=O)C(C)C)n1
40095 COC(=O)c1cc(NC2N(C(=O)c3ccccc23)c2ccc(Cl)cn2)cc(c1)C(=O)OC
40096 COc1cc(C)c(cc1C)S(=O)(=O)NCc1ccc2OCOc2c1
40097 CCOC(=O)CSc1nn(C)c(=S)s1
40098 CCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
40099 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)Nc1ccc2OCOc2c1
40100 Cc1ccc(cc1)-c1nnc2SCC(=Nn12)c1ccc(Br)cc1 |c:14|
40101 COc1ccc(cc1)N1Cc2cccc(C(O)=O)c2C1=O
40102 O=C(Nc1nc(cs1)-c1nc2ccccc2s1)C1COc2ccccc2O1
40103 O=S(=O)(NCc1csc(n1)-c1cccnc1)c1cccs1
40104 CC1Cc2nc(SCC(=O)Nc3cc(C)on3)n(CCc3ccccc3)c(=O)c2S1
40105 CC1Cc2nc(SCC(=O)Nc3nnc(C)s3)n(CCc3ccccc3)c(=O)c2S1
40106 Clc1ccc(s1)S(=O)(=O)NCCc1csc(n1)-c1cccnc1
40107 Cc1csc2nc(CCNS(=O)(=O)c3ccc4OCCOc4c3)cn12
40108 Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)no1
40109 Cc1ccc(C(=O)CSC2=C(C#N)C(CC(=O)N2)c2ccco2)c(C)c1 |c:9|
40110 CCOC(=O)c1c(O)c(=CN(C)C)sc1=C |w:9.9|
40111 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)n1
40112 Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 |w:4.4|
40113 Cc1onc(c1C(=O)NCc1cccnc1)-c1ccccc1Cl
40114 CN1C(=O)C(=C2SC(Nc3cccc(C)c3C)=NC2=O)c2ccccc12 |w:4.21,c:17|
40115 C=CCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
40116 Cc1sc2ncnc(NCc3ccco3)c2c1C
40117 CC(=O)c1cccc(NC(=O)Cc2cccs2)c1
40118 OC(=O)C1Nc2c(cccc2C(=O)N2CCOCC2)C2C=CCC12 |c:22|
40119 CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
40120 CC(=O)NCCOC(=O)Nc1ccncc1
40121 CCOC(=O)CCC(=O)Nc1ccccc1C(N)=O
40122 COc1nnc(-c2ccc(C)c(c2)S(=O)(=O)NCCO)c2ccccc12
40123 CC(NC(C)=O)C(=O)OCC(=O)Nc1ccc(Br)cc1
40124 Oc1ccc(C=Nc2ccc(cc2)N2CCOCC2)c(O)c1 |w:6.6|
40125 COc1ccc(cc1)-c1cc(n2ncc(C(=O)NCc3ccco3)c2n1)C(F)(F)F
40126 COc1cc(NC(=O)COc2ccc(cc2)-n2cnnn2)c(OC)cc1Cl
40127 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)OCN1C(=O)c2ccccc2C1=O
40128 COc1ccc2cc(CCC(C)=O)ccc2c1
40129 Cc1cc(C)cc(OCc2nc3ncc(Br)cc3[nH]2)c1
40130 Fc1ccc(cc1)-c1nnc(-n2nnc3ccccc23)c2ccccc12
40131 CCNc1ccc(Br)cc(C(=O)\C=C\c2ccccc2Cl)c1=O
40132 O=C(CSc1ncccn1)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
40133 CCCCOC(=O)c1cc(ccc1Cl)-c1ccc(C=Nn2cnnc2)o1 |w:19.20|
40134 O=C(Cc1cccs1)Nc1nnc(COc2ccccc2)s1
40135 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
40136 Cc1ccc2[nH]c(=O)c(cc2c1)-c1nc2ccccn2c1NCc1ccco1
40137 Cc1ccc2[nH]c(=O)c(cc2c1)C1C(C#N)C(=N)Oc2c1ccc1cccnc21
40138 Cc1cccc2cc(C(N(CC3CCCO3)Cc3ccco3)c3nnnn3C(C)(C)C)c(=O)[nH]c12
40139 CCc1ccc2[nH]c(=O)c(cc2c1)C1C(C#N)C(=N)Oc2c1ccc1cccnc21
40140 Cc1ccc(cc1)C(N(Cc1cccs1)C(=O)c1csnn1)C(=O)NC(C)(C)C
40141 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
40142 CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
40143 CCOC(=O)Cc1cc(=O)n2[nH]c(cc2n1)-c1ccc(C)cc1
40144 CCCCSc1nnc2c(n1)[nH]c1ccccc21
40145 CC(=O)Nc1ccc2nc(C)cc(O)c2c1
40146 COc1ccc(cc1)-c1nnc(o1)-c1cc2c(ccc3ccccc23)oc1=O
40147 COc1ccccc1C(=O)Nc1nc(c(NC(C)=O)s1)-c1cccs1
40148 Cc1cc(C)n(CC(O)COc2ccccc2)n1
40149 CC(NC(=O)CCSc1nc(cc(n1)C(F)(F)F)-c1ccc2OCOc2c1)c1ccccc1
40150 O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(CC1)N1C(=O)C2CC=CCC2C1=O |c:30,(15.03,2.65,;14.26,1.32,;15.03,-.02,;16.57,-.02,;17.34,-1.35,;18.88,-1.35,;19.65,-.02,;21.19,-.02,;21.96,-1.35,;23.5,-1.35,;24.27,-2.69,;23.5,-4.02,;21.96,-4.02,;21.19,-2.69,;18.88,1.32,;17.34,1.32,;12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;10.41,2.65,;11.95,2.65,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,)|
40151 COc1cccc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc12
40152 CN(C)c1nc(Nc2ccc(F)cc2)nc(N=NCc2ccc(Cl)c(c2)[N+]([O-])=O)n1 |w:16.16|
40153 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 |w:4.3|
40154 CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)[nH]c1=C
40155 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc1ccco1)-c1cccs1
40156 Clc1ccc(Nc2nc(cs2)-c2ccncc2)cc1
40157 Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc23)c1
40158 C\N=C1\SC(CC(=O)Nc2ccc(cc2)C(C)=O)C(=O)N1C
40159 CC1CCc2c(C1)sc(NC(=O)c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)c2C#N
40160 CCOC(=O)C1C(=O)C(S\C1=N/c1ccc(C)cc1)=Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12 |w:19.21|
40161 CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
40162 Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)c(C)c1
40163 CCCC(N=Nc1ccc(Cl)cc1)c1cnnc(n1)-c1ccccc1 |w:4.3|
40164 Brc1ccc(cc1)-c1nnc(-c2cccnc2)c2conc12
40165 COC(=O)C(C=Nc1ccc(Cl)c2ccccc12)c1ncc(cc1Cl)C(F)(F)F |w:6.6|
40166 ClC(C(=O)Nc1ccc(cc1)N1CCCC1)c1ccccc1
40167 Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)c(Cl)c(=O)n2[nH]1 |(8.7,-1.22,;9.94,-2.13,;9.94,-3.67,;11.41,-4.14,;12.31,-2.9,;13.85,-2.9,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;3.08,2.6,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|
40168 Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cc2ncc(Br)cn2n1
40169 Cc1ccc(NC(=O)c2sc3nc4CCCc4c(-c4ccco4)c3c2N)cc1
40170 CSc1ncc2CSc3ccc(C)cc3-c2n1
40171 NC(=O)C1(CCN(CC1)c1nc(cs1)-c1ccc(Br)cc1)N1CCCCC1
40172 CSc1nc(NCc2ccco2)c2ccccc2n1
40173 COc1ccc2c3ccc(OCC(=O)NC4CCCCC4)cc3oc(=O)c2c1
40174 COc1ccccc1NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1
40175 Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12
40176 COc1ccc2c3cc4c(C)c(C)oc4cc3oc(=O)c2c1
40177 Clc1ccc(cc1Cl)N1NC(=O)\C(=C/c2cccc(OC(=O)c3cccs3)c2)C1=O
40178 O=C(Nc1ccc(cc1)N1CCCC1)C(c1ccccc1)c1ccccc1
40179 CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(OC)cc2)cc1 |w:14.15,t:8|
40180 Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=CC(=O)C(Cl)=C1 |w:12.12,c:15,20|
40181 O=S(=O)(N=C(Sc1ccccc1)c1ccccc1)c1ccccc1 |w:3.2|
40182 CCn1c(SCC(=O)Nc2ccc3c(c2)oc2ccccc32)nnc1-c1ccc(N)cc1
40183 Fc1ccc(CNc2nc3ccccc3n3cnnc23)cc1
40184 COc1ccc2cc3c(N)nn(C(=O)Cc4ccc(Cl)cc4)c3nc2c1
40185 CSC1=N\C(=C/c2ccc(Br)o2)C(=O)S1 |t:2|
40186 COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(Cn2nc(C)cc2C)c1
40187 Cc1ccc(cc1)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
40188 CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:7,t:2|
40189 CCc1ccc(NC(=O)c2noc3CCCc23)cc1
40190 [H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1ccc(O)cc1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
40191 CSc1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)c1
40192 [O-][N+](=O)c1cc(ccc1Cl)C(=O)NNC(=O)c1ccc(SCC2CCCO2)c(c1)[N+]([O-])=O
40193 Cc1ccc(cc1)-n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=O
40194 COCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
40195 CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)[nH]c1=C
40196 Clc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
40197 Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
40198 [O-][N+](=O)c1ccc(Oc2cccc([CH+][N-]NC(=O)c3cncc(Br)c3)c2)c(c1)[N+]([O-])=O
40199 Cc1ccc(NC(=O)C(\NC(=O)C2CCCCC2)=C\c2cccc(c2)[N+]([O-])=O)c(C)c1
40200 COc1cccc(\C=C2/N=C(OC2=O)c2c(C)onc2-c2ccccc2)c1OC |c:9|
40201 COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12
40202 CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
40203 CCCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1ccc3OCCOc3c1)c2=O
40204 Fc1ccc(NCc2cccnc2)cc1F
40205 CN(N=Cc1cccnc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl |w:2.1|
40206 COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1ccccc1C |c:12,t:9|
40207 ClC1=CCC2C(C1)C(=O)N(CCCCCCN1C(=O)C3CC=C(Cl)CC3C1=O)C2=O |t:1,22|
40208 O=C(Nc1nc2ccccc2s1)c1cc2COc3ccccc3-c2s1
40209 COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(OC)c(OC)c2)c2c3ccccc3n(C)c2c1=O
40210 Cc1nn(Cc2ccc(o2)C(=O)Nc2nc3c(C)cccc3s2)c(C)c1Br
40211 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(O)=O
40212 CCOc1ccc(NC(=O)c2cc3cc4ccc(OC)cc4nc3o2)cc1
40213 CCOC(=O)C1=c2n(c(C#N)c(N)c2=Cc2ccccc2OC)C(=O)C(S1)c1ccccc1OC |t:5|
40214 COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(CC1CCCO1)c2=O
40215 COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)NCc1ccc3OCOc3c1)c2=O
40216 COC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)[nH]c1=C
40217 Clc1ccc(s1)S(=O)(=O)NCc1csc(n1)-c1cccnc1
40218 CNc1nnc(s1)-c1cc2cc(Cl)ccc2oc1=O
40219 Cc1ccc(cc1)-c1n[nH]c(=S)n1[N-]C=C[CH+]c1ccccc1[N+]([O-])=O |w:14.15|
40220 CCOC(=O)c1cc2ccccc2n1CCN(CC)CC
40221 NC(Cc1ccc(cc1)[N+]([O-])=O)=NOC(=O)c1ccc2ccccc2c1 |w:12.13|
40222 COc1ccc(cc1OC)C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:13|
40223 O=C(CCC(=O)Nc1nnc(s1)C1CCCCC1)NCC1CCCO1
40224 Fc1ccc(CNC(=O)c2cc3c(nc4ccccn4c3=O)n(Cc3cccnc3)c2=N)cc1
40225 O=Cc1ccc2oc3nc4SCCCn4c(=O)c3c(=O)c2c1
40226 CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:20|
40227 Fc1ccc(cc1)C1CC(=O)c2cnc(NCC3CCCO3)nc2C1
40228 CCOP(=O)(OCC)C1(NS(=O)(=O)c2ccccc2)C=C(Cl)C(=O)c2ccccc12 |t:20|
40229 Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
40230 O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)Nc1ccccc1
40231 CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(OC)cc4)n3N)ccc12
40232 COc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:13.14,t:7|
40233 O=C(Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O)c1ccccc1
40234 CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccco1 |c:13|
40235 Brc1ccc(cc1)C1Nc2sc3CCCc3c2C(=O)N1
40236 Cc1cc(C)n2nc(SCc3cc(=O)oc4cc(O)ccc34)nc2n1
40237 Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2C)n1
40238 CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2)cc1
40239 CCc1cccc2c(c[nH]c12)C(=O)Cn1nnc(n1)-c1ccc(OC)c(OC)c1
40240 CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O |(3.08,-.95,;4.62,-.95,;5.39,-2.28,;6.93,-2.28,;7.7,-.95,;6.93,.38,;5.39,.38,;8.61,-2.2,;10.07,-1.72,;11.32,-2.63,;10.07,-.18,;11.32,.72,;12.72,.1,;12.88,-1.43,;13.97,1,;15.43,.53,;16.34,1.77,;15.43,3.02,;13.97,2.54,;8.61,.3,;8.13,1.76,)|
40241 Cn1c(Cc2ccccc2)nnc1SCC(=O)c1cccs1
40242 O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)Nc1nc2CCCCc2s1
40243 CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(cc2)C#N)c1C
40244 Clc1ccc(SC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 |w:7.7|
40245 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CSc1ncc(cc1Cl)C(F)(F)F
40246 CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1C)C(O)=O
40247 Cc1nn(c(Cl)c1CN=Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccccc1C(O)=O)-c1ccccc1 |w:9.10|
40248 Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1
40249 CCCNC(=O)c1ccc(s1)-c1nc2ccccc2s1
40250 COc1ccc(Cc2nc3ccc(cc3[nH]2)S(=O)(=O)N2CCOCC2)cc1
40251 Fc1ccc(Nc2nc(CSc3nnnn3-c3ccccc3)cc(=O)[nH]2)cc1
40252 O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1cccs1
40253 CCOc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
40254 NC(=S)n1[nH+]c(-c2ccc(cc2)[N+]([O-])=O)[c-]([NH+]=Nc2ccc([O-])cc2)c1=O |w:16.16|
40255 Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cc(ccc3C)C(O)=O)C2=O)cc1C
40256 [O-][N+](=O)c1ccccc1NC(=O)[C-]1c2[nH]c3ccccc3[n+]2CCC1=O
40257 O=Cc1cn(nc1-c1cc2c(ccc3ccccc23)oc1=O)-c1ccccc1
40258 O=C(Nc1cccc(c1)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1
40259 Clc1cc2C(=O)c3ccccc3C(=O)c2cc1NC(=O)COC(=O)CC1CCCC1
40260 CCOC(=O)c1c(C)oc2c1c(C(N1CCCCC1)c1cccnc1)c(O)c1ccccc21
40261 Cc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1Cc1ccccc1
40262 COc1ccccc1N1CCN(CC1)C(=O)c1cc2CCCc2s1
40263 Cn1nc([N+]([O-])=O)c2c(c(N)n(C3CCCCC3)c2c1=O)-c1nc2ccccc2s1
40264 Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
40265 Cc1ccc(cc1)N=Cc1c(O)n(-c2ccc3OCOc3c2)c(=O)c2ccccc12 |w:7.7|
40266 O=S(=O)(N1CCCCC1)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
40267 Cc1sc(NC(=O)CSc2nnc(o2)-c2ccccc2)c(C#N)c1C
40268 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)-c1ccc2OCOc2c1
40269 O=C(CSc1nnnn1C1CCCCC1)Nc1sc2CCCCc2c1C#N
40270 CC1=CC(C)(C)Nc2cc(C)c(C)cc12 |t:1|
40271 Cc1sc(NC(=O)CSc2nnc(C)c(=O)[nH]2)c(C#N)c1C
40272 Clc1ccccc1-n1ncc2c(SCC(=O)Nc3sc4CCCCc4c3C#N)ncnc12
40273 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCc1ccco1)c1ccc(Br)cc1
40274 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1
40275 CC1CCCN(C1)S(=O)(=O)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
40276 CCOC(=O)c1c(C)c(sc1NC(=O)Cn1nnc(n1)-c1ccccc1)C(C)=O
40277 Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1nnc(s1)-c1ccco1
40278 Cc1sc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c(C#N)c1C
40279 Cc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C
40280 COc1ccc(CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
40281 CCOC(=O)c1cnc(SCC(=O)Nc2sc(C)c(C)c2C#N)nc1N
40282 Cc1cccc2cc(C(N3CCN(CC3)C(=O)c3ccco3)c3nnnn3C(C)(C)C)c(=O)[nH]c12
40283 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccccc1)C(=O)c1ccco1 |c:4|
40284 CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
40285 COc1cccc(NC(=O)c2ccccc2-c2nc(no2)-c2ccc(Cl)cc2)c1
40286 Oc1c(cnc2ccc(cc12)S(=O)(=O)Nc1ccc2OCCOc2c1)C(=O)NCc1ccccc1
40287 CCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1ccc(OCC)cc1
40288 COc1ccc2nc(NC(=O)CCc3nc(no3)-c3ccccc3F)sc2c1
40289 CN(C)c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCCC2)cc1
40290 Cc1ccc(cc1)-c1nc2sc(=Cc3ccco3)c(=O)n2n1
40291 Nc1c(ccc2ccccc12)C(O)(C(F)(F)F)C(F)(F)F
40292 CC(C)c1ccc(C)cc1OCC(=O)Nc1ccccc1N1CCN(CC1)C(C)=O
40293 Nc1nn(cc1-c1ccc(Br)cc1)S(=O)(=O)c1cccc2nsnc12
40294 COc1ccc(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)c(Cl)c1 |c:21|
40295 CCCCn1c-2c(CCc3nonc-23)c2ccccc12
40296 Fc1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)cc1
40297 CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)c(C)c1
40298 Clc1ccc(cc1)-n1c(SCC(=O)Nc2ccc3OCCOc3c2)nc2CCSc2c1=O
40299 CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1CC
40300 CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)c(Cl)c2)C(C#N)C1c1ccco1 |c:3,t:6|
40301 CCCOC(=O)C1=C(C)N=C2CCCC(=O)C2C1c1cccc(OC)c1OC |c:6,t:9|
40302 O=C(CCN1C(=O)c2ccccc2C1=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
40303 O=C(Nc1ccccc1)C1=C(CC(CC1=O)c1ccoc1)Nc1ccccc1 |t:10|
40304 CCCN1CCCc2cc(CN)ccc12
40305 CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
40306 CC1(C)CC(=O)C(C(=O)C1)C1(O)C(=O)NC(=O)NC1=O
40307 Cc1ccc(CCN2CC(CC2=O)C(=O)NCCCN2CCCCCC2)cc1
40308 O=C(NCCCN1CCCCCC1)C1CN(CCc2ccccc2)C(=O)C1
40309 Fc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCCN1CCCCCC1
40310 CCN1CCCC1CNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12
40311 COC(=O)c1ccc(CSc2ncnc3c4ccccc4oc23)o1
40312 CCCc1cc(=O)[nH]c(N=C(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)n1 |w:9.8|
40313 O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1
40314 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1
40315 O=C(Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1)c1cccs1
40316 CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
40317 Cc1cccc(CSc2nc3CCCc3cc2C#N)c1
40318 CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1
40319 CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|
40320 [#6]-c1ccc(cc1)-[n+]1c(-[#8])csc1-[#6-](\[#6](Cl)=[#6](\Cl)Cl)-[#7+](-[#8-])=O
40321 Oc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1
40322 O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12 |c:9|
40323 CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC
40324 [O-][N+](=O)c1c[c-](C[NH+]=Nc2nccs2)ccc1=O |w:7.6|
40325 CC(C)(C)NC(=O)CN(C(=O)C1CSC(=O)C1)c1ccc2OCCOc2c1
40326 Fc1ccccc1N1CCN(CC1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
40327 COc1ccc(Cn2c(nc3ccc(NC(=O)C4CC4)cc3c2=O)C2CC2)cc1
40328 NC(=O)Cn1cnc(c1)-c1ccccc1
40329 CC(=O)Nc1nc(=O)c2ccccc2s1
40330 CCOCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
40331 CCC(N1CCN(CC1)c1ccc(F)cc1)c1nnnn1Cc1ccc2OCOc2c1
40332 COCCn1nnnc1C(N(Cc1ccco1)Cc1cccs1)c1cc2ccc(C)cc2[nH]c1=O
40333 CC(C)CC(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1ccco1
40334 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
40335 Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1
40336 CC(C)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
40337 COc1ccc2cc(CN(CCO)C(=O)c3ccccc3F)c(=O)[nH]c2c1
40338 Cc1nnc(NC(=O)C2CCN(CC2)c2cnccn2)s1
40339 COC(=O)COc1cccc(c1)-n1cnnn1
40340 CC(C)C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N
40341 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)N1CCOCC1
40342 Cc1ccc2[nH]c3c(NCC=C)ncnc3c2c1
40343 CCc1cc2cc(sc2s1)C(=O)Nc1ccccc1F
40344 COc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc2OCCOc2c1
40345 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N1CCOCC1)c1cccs1
40346 COc1ccc(cc1OC)-c1nnc(SCC(=O)Nc2cc(C)on2)n1N
40347 O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |c:8,t:28|
40348 CC(=O)NCC(=O)OCC(=O)Nc1ccc(cc1)C(C)=O
40349 CCc1ccc(OCc2nnc(SCC(=O)N(C)C3CCS(=O)(=O)C3)n2CC=C)cc1
40350 COc1ccc(NC(=O)c2cc(ccc2N2CCCCC2)S(=O)(=O)N2CCCCC2)cn1
40351 Cn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O
40352 Cc1noc(C)c1COC(=O)Cc1ccc(Cl)cc1
40353 Cc1ccc(C)c(c1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SCC=C |(10.63,-4.78,;9.49,-3.74,;8.02,-4.22,;6.88,-3.19,;7.2,-1.68,;6.05,-.65,;8.66,-1.21,;9.81,-2.24,;8.98,.3,;10.39,.92,;11.72,.15,;13.06,.92,;13.06,2.46,;14.39,3.23,;14.39,4.78,;15.73,2.46,;15.73,.92,;17.06,.15,;14.39,.15,;10.23,2.46,;8.72,2.78,;7.95,1.44,;6.42,1.28,;5.52,2.53,;3.99,2.37,;3.08,3.61,)|
40354 CCOC(=O)N1CCN(CC1)c1ncnc2sc(C(=O)OCC)c(C)c12
40355 COc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c(OC)c1
40356 CCOCC(=O)Nc1cc(ccc1C)-c1cn2cccnc2n1
40357 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)NCCC2=CCCCC2)C1=O |c:5,t:20,TLB:24:7:2:6.5,THB:9:8:2:6.5|
40358 COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S |(10.76,-2.55,;12.1,-1.78,;13.43,-2.55,;13.43,-4.09,;14.76,-4.86,;16.1,-4.09,;16.1,-2.55,;14.76,-1.78,;14.76,-.24,;13.52,.66,;12.05,.19,;10.91,1.22,;9.44,.74,;9.12,-.77,;8.3,1.77,;6.83,1.3,;5.69,2.33,;6.01,3.83,;4.86,4.86,;3.4,4.39,;3.08,2.88,;4.22,1.85,;13.99,2.13,;15.53,2.13,;16.01,.66,;17.47,.19,)|
40359 CC(C)NC(=O)CCCc1cn(C)c2ccccc12
40360 COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1
40361 CCOC(=O)c1nnn(c1CNc1ccc(C)c(Br)c1)-c1nonc1N
40362 COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1
40363 COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1cccc(Cl)c1)c1cccnc1
40364 CC(C)CCn1c(=S)[nH]c2ncccc2c1=O
40365 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1
40366 O=C1CN(C2CCCCC2)C(=O)C(N1CCC1=CCCCC1)c1ccncc1 |t:18|
40367 CCCCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1 |c:12|
40368 CCC1=C\C(=C/c2ccc3OCOc3c2)C(=O)S1 |t:2|
40369 O=C(Cc1ccc(cc1)-n1cccc1)N1CCc2ccccc12
40370 CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C
40371 CC(C)(C)C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccccc1
40372 CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl
40373 CC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1
40374 CC(=O)n1nc2nc(C)cc(C)c2c1N
40375 Cc1cc(cc(C)c1S(=O)(=O)NCCOc1ccccc1)N1CCCC1=O
40376 Fc1cccc(c1)C(=O)n1nnc2ccccc12
40377 COC(=O)c1ccccc1NC(=O)N1CCN(CC1)C(=O)c1ccco1
40378 O=C(CCC1COc2ccccc2O1)NCc1ccco1
40379 O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40380 CCCS(=O)(=O)N1CCN(CC1)c1ccccc1F
40381 FC(F)C(F)(F)COCc1ccc(cc1)C(=O)NCC1CCCO1
40382 O=C(c1csc2CCCCc12)n1cccn1
40383 CC(=O)c1c(C)nn(CC(O)COc2ccc3CCCc3c2)c1C
40384 COc1cccc(C(=O)n2cnnc2N)c1OC
40385 CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl
40386 CC(NC(=O)c1c(C)noc1C)c1ccc2OCOc2c1
40387 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)S(C)(=O)=O)cc1
40388 O=C(N1CCN(CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccco1
40389 OC(=O)C1CCCCC1C(=O)NCCc1ccccc1
40390 COc1ccc(cc1)N1CCN(CC1)C(=O)c1c(C)onc1-c1ccccc1
40391 CCOC(=O)N1CCN(CC1)C(=O)C1CC(=NO1)c1ccc(F)cc1 |c:16|
40392 CC(C)OCCOC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C
40393 CCCSc1nnc(-c2c[nH]c3ccccc23)n1C
40394 COCCn1c(SCC(N)=O)nnc1-c1c[nH]c2ccccc12
40395 CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O
40396 COc1cccc(OCC(=O)Nc2cc(OC)cc(OC)c2)c1
40397 CC1=NC(C)=C(C(C1C(=O)OCC=C)c1ccc(O)cc1)C(=O)OCC=C |c:4,t:1|
40398 Clc1ccc(NC(=O)N2CCC=CC2)cc1Cl |c:11|
40399 OC(=O)COc1ccc2OCCOc2c1
40400 COc1ccc(cc1)C(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12
40401 CCCCCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc(O)c(OC)c1
40402 COc1ccccc1-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F |(7.08,-4.42,;7.08,-2.88,;5.75,-2.11,;4.41,-2.88,;3.08,-2.11,;3.08,-.57,;4.41,.2,;5.75,-.57,;7.08,.2,;7.08,1.74,;8.41,2.51,;9.75,1.74,;11.13,2.57,;12.52,1.77,;13.85,2.55,;15.19,1.78,;15.19,.24,;16.52,2.56,;16.67,4.09,;18.18,4.42,;18.95,3.09,;17.93,1.94,;12.52,.17,;11.13,-.62,;9.75,.2,;8.41,-.57,;8.41,-2.11,;5.75,2.51,;4.41,3.28,;6.52,3.85,;4.98,1.18,)|
40403 OC(=O)C1CCCCC1C(=O)Nc1ccc(Br)cc1
40404 CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1nc3ccccc3n1C)c2=O |(15.91,-2.7,;15.92,-1.16,;14.59,-.39,;13.19,-1.18,;11.82,-.36,;11.82,1.18,;13.19,2.01,;14.59,1.22,;15.92,1.99,;15.91,3.53,;17.24,4.31,;14.58,4.3,;10.48,1.95,;9.15,1.18,;7.82,1.95,;9.15,-.36,;7.82,-1.13,;6.42,-.5,;5.39,-1.64,;3.85,-1.64,;3.08,-2.97,;3.85,-4.31,;5.39,-4.31,;6.16,-2.97,;7.66,-2.65,;8.8,-3.68,;10.48,-1.13,;10.48,-2.67,)|
40405 COCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccccc1OC
40406 COCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cc(OC)ccc1OC
40407 COCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc(cc1)C(C)C
40408 COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2c2cccc(Cl)c2)c(OC)c1
40409 COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccc(C)c(Cl)c1
40410 CC(C)c1ccc(cc1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1Cc1cccnc1
40411 COc1ccc(OC)c(c1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccnc1
40412 COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3cccnc3)ccc2c1=O)C(F)(F)F
40413 COc1ccc(cc1OC)-c1c(oc2cc(OC(=O)c3ccco3)ccc2c1=O)C(F)(F)F
40414 COc1ccc(cc1OC)-c1c(oc2c(CN3CCOCC3)c(O)ccc2c1=O)C(F)(F)F
40415 FC(F)(F)c1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccccc1Cl |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
40416 FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl |(4.41,2.51,;5.75,1.74,;6.52,3.08,;4.98,.41,;7.08,.97,;8.41,1.74,;9.75,.97,;11.13,1.8,;12.52,1,;13.85,1.78,;15.19,1.01,;15.19,-.53,;16.52,1.79,;17.93,1.17,;18.95,2.32,;18.18,3.65,;16.67,3.32,;12.52,-.6,;11.13,-1.39,;9.75,-.57,;8.41,-1.34,;8.41,-2.88,;7.08,-.57,;5.75,-1.34,;4.41,-.57,;3.08,-1.34,;3.08,-2.88,;4.41,-3.65,;5.75,-2.88,;7.08,-3.65,)|
40417 FC(F)(F)c1oc2cc(OC(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1Br
40418 COc1ccc(C2C(C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c(OC)c1
40419 COc1ccc(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCCn2ccnc2)c(OC)c1
40420 COc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCCn1ccnc1
40421 O=C(C1C(N(CCCn2ccnc2)C(=O)C1=O)c1cccnc1)c1ccco1
40422 COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCCN1CCOCC1
40423 CC(C)c1ccc(cc1)C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1c1nnc(C)s1
40424 COCCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc(cc1)C(C)C
40425 COCCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc(O)c(OC)c1
40426 COc1ccc(OC)c(c1)C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCC(O)=O
40427 COc1ccc(cc1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN(C)C
40428 COc1cc(ccc1O)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN(C)C
40429 O=C(C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1cccnc1)c1cc2ccccc2o1
40430 O=C(C1C(N(CCCn2ccnc2)C(=O)C1=O)c1cccnc1)c1cc2ccccc2o1
40431 COc1cccc(\C=C2\C(=O)NN(C2=O)c2ccc(C)cc2)c1
40432 Clc1ccc(cc1)C(=O)C1C(NC(=O)C1=O)c1ccc(Br)cc1
40433 COc1ccc(cc1)C(=O)C1C(NC(=O)C1=O)c1ccc(OC)cc1OC
40434 Fc1ccc(cc1)N1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccc(Br)cc1
40435 Cc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(Br)cc1
40436 COc1ccc(C2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2cccnc2)c(OC)c1
40437 OC(=O)CCCN1C(\C=C\c2ccccc2)C(C(=O)c2ccccc2)C(=O)C1=O
40438 COc1cc(ccc1O)C1C(C(C)=O)C(=O)C(=O)N1c1ccc(Br)cc1
40439 Brc1ccc(cc1)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1CN1CCOCC1
40440 Clc1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCc1ccccc1
40441 OC(=O)C(CC(=O)c1ccccc1)=Nc1sc2CCCc2c1C#N |w:13.14|
40442 Cc1ccc(cc1Br)N1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cccc(F)c1
40443 CCCCCCOc1cccc(c1)N1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cccc(F)c1
40444 CC(=O)C1C(N(CCc2c(C)[nH]c3ccccc23)C(=O)C1=O)c1cccc(F)c1
40445 COc1ccc(cc1)C(=O)C1C(N(CCc2c[nH]c3ccccc23)C(=O)C1=O)c1ccc(cc1)C(C)C
40446 CC(C)C(=O)N(Cc1ccco1)S(=O)(=O)c1cccc2cccnc12
40447 CCCC(=O)N(Cc1ccco1)S(=O)(=O)c1cccc2cccnc12
40448 COc1ccc(cc1)-c1c(C)[nH]n2c1nc1CCCCc1c2=O
40449 COc1cccc(c1)-c1ccnc2[nH]n(-c3ccccc3)c(=O)c12
40450 Cc1cccc(C)c1NC(=O)C(NC(=O)Cc1cccs1)c1ccccc1
40451 CCC(C)(N(Cc1cccs1)C(C)=O)C(=O)NC1CCCCC1
40452 COc1ccc(cc1)C1C(C(=O)N2CCCC(C)C2)c2ccccc2C(=O)N1C
40453 COc1ccc(OC)c(CNC(=O)Cn2c3ccccc3sc2=O)c1
40454 Cc1sc2n(Cc3ccccc3F)c(=O)n(Cc3ccccc3)c(=O)c2c1C
40455 Cc1cccc(c1)C1CC(=O)NC2=C1C(=O)CC(C2)c1cccs1 |c:13|
40456 FC(F)(F)c1ccccc1C1CC(=O)NC2=C1C(=O)CC(C2)c1cccs1 |c:16|
40457 Cc1nc2c(c([nH]n2c(=O)c1Cc1ccccc1)C(F)(F)F)-c1ccc(Cl)cc1
40458 OS(=O)(=O)CCCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
40459 OC(=O)Cn1nc(c2CCCCCc12)C(F)(F)F
40460 COc1ccc(OCc2nn3c(nnc3s2)-c2cccc(OC)c2)cc1
40461 OCCN=Cc1c(O)n(-c2ccccc2)c(=O)c2ccccc12 |w:3.2|
40462 COC(=O)c1ccc(CSc2nc3scc(-c4cccs4)c3c(=O)[nH]2)o1
40463 O=C(NC(=Nc1ccccc1)N1CCOCC1)Nc1ccccc1 |w:4.4|
40464 CCN1C(=S)S\C(C1=O)=C1/Sc2ccccc2N1CCCS(O)(=O)=O
40465 COc1nc(N)nc(n1)N1CCOCC1
40466 CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1
40467 Clc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
40468 COC(=O)Cc1cc(=O)n([nH]1)-c1nc2ccccc2[nH]1
40469 [O-]N1C2CCCCC2[N+](=O)C=C1c1ccc(Oc2ccccc2)cc1 |c:11|
40470 Cc1nc(N)sc1-c1csc(Nc2ccc(Cl)cn2)n1
40471 O=C(CSCc1n[nH]c(=O)[nH]1)NCCOc1cccc(Oc2ccccc2)c1
40472 Clc1ccc(OCC(=O)NC(=O)N2CCCCC2)c(Cl)c1
40473 COCCN1Cc2cccc(C(=O)Nc3ccc4OCCOc4c3)c2C1=O
40474 [H]C12OC3(CN(CC(=O)OCC)C(=O)C3C1C(=O)Nc1cc(OC)ccc1OC)C=C2 |c:32|
40475 Cc1csc2ncc(C(=O)NCc3ccc4OCOc4c3)c(=O)n12
40476 Cn1c2nc(CN3CCN(CC3)C(=O)c3ccco3)n(CCCc3ccccc3)c2c(=O)n(C)c1=O
40477 CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c2C(N)=O
40478 COc1ccc(CSc2nc(C)cc(=O)[nH]2)cc1
40479 OC(=O)CCn1ccnc1-c1ccccc1
40480 O=C1N(CCCc2nc3ccccc3c(=O)n2CCCn2ccnc2)C(=O)c2ccccc12
40481 Cc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
40482 CC1Cc2ccccc2N1C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
40483 COc1nc(ccc1-c1noc(n1)-c1ccco1)-c1ccc(Cl)cc1
40484 O=C(N(Cc1ccco1)Cc1cccs1)c1cc2ccccc2oc1=O
40485 O=C(N1CCc2ccccc12)c1cc2sccc2n1Cc1ccccc1
40486 Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCOCC2)cc1
40487 Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12
40488 CCOc1ccc(Cc2sc(Nc3ccccn3)nc2O)cc1
40489 CCC(=O)Oc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OC(=O)CC)cc1
40490 C[C@]12CC[C@H]3[C@@H](CC(=O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
40491 C\C=C(\C(=C\C)\c1ccc(O)cc1)/c1ccc(O)cc1
40492 C[C@]12CC[C@H]3[C@@H](CCc4cc(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C([O-])=O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
40493 CCC(C(CC)c1ccc(OC(=O)CC)cc1)c1ccc(OC(=O)CC)cc1
40494 COCCCn1c2nc(C)n(-c3ccccc3OC)c(=O)c2c2nc3ccccc3nc12 |(13.64,6.58,;13.64,5.04,;12.31,4.27,;12.31,2.73,;10.98,1.96,;10.98,.42,;9.74,-.49,;8.19,-.13,;7.11,-1.3,;5.61,-.98,;7.6,-2.82,;6.57,-3.97,;7.06,-5.43,;6.03,-6.58,;4.52,-6.26,;4.04,-4.8,;5.07,-3.65,;4.59,-2.19,;3.08,-1.87,;9.16,-3.14,;9.66,-4.6,;10.21,-1.94,;11.74,-1.95,;12.78,-3.09,;14.28,-2.77,;15.34,-3.98,;16.91,-3.66,;17.4,-2.13,;16.32,-.95,;14.76,-1.31,;13.73,-.16,;12.22,-.48,)|
40495 Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C
40496 COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2cccs2)c(OC)n1
40497 [H][C@@]12CN(C[C@@]([H])(C1)c1cccc(=O)n1C2)C(=O)c1ccc(cc1)-c1nnc(OC)c2ccccc12 |TLB:9:8:7:3.2.4|
40498 Cc1cc(n[nH]1)-c1nnc2sc(nn12)-c1ccc(Cl)cc1Cl
40499 Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)N1CCN(CC1)c1ccccn1
40500 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
40501 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(o1)-c1cc(OC)c(OC)c(OC)c1
40502 CC(C)CCNC(=O)COc1ccc2c3CCCc3c(=O)oc2c1
40503 Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1
40504 O=C(Nc1nccs1)c1nc(-c2ccccc2)n(n1)-c1ccccc1
40505 Cc1cc(C(=O)CSc2nnc(o2)-c2ccccc2F)c(C)n1Cc1cccs1
40506 COc1ccc(cc1)-c1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)o1
40507 CCOc1ccccc1-c1nc(no1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
40508 O=C(Nc1ccc(cc1)-c1noc(n1)-c1cccs1)c1cccnc1
40509 O=C(Cn1ncc2c1c1ccccc1oc2=O)Nc1nc2ccccc2s1
40510 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc2ccc(F)cc2s1
40511 O=C(Nc1cccnc1)c1cc(on1)-c1ccc2OCOc2c1
40512 COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC
40513 COC(=O)c1ccc(CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)o1
40514 NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1
40515 CCOc1ccccc1C1C(C#N)C(N)=Nc2onc(c12)-c1ccccc1 |c:15|
40516 CCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
40517 Cc1cc2ccccc2n1CCNS(=O)(=O)c1ccc(C)cc1
40518 CCc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1
40519 Cc1ccc(cc1)-c1nnc(o1)-c1ccc(NC(=O)c2ccco2)cc1
40520 Clc1ccc(CC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
40521 Cn1nnnc1SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
40522 COc1ccc(cc1)C(=O)Nc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
40523 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
40524 COC(=O)c1c(NC(=O)c2ccoc2C)scc1-c1ccncc1
40525 CCc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1
40526 CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Br)ccc2o1
40527 CCOC(=O)c1cc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c2OCOCc2c1
40528 O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1cccnc1
40529 COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(s1)-c1sccc1C
40530 CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21
40531 COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
40532 Cc1cccc(N2CCN(CC2)C(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)c1C
40533 O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCCC1)NC1CCCCC1
40534 COc1cc(NC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc(OC)c1OC
40535 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)cc2)c1
40536 COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2CCSc2c1=O |(9.75,6.93,;9.75,5.39,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;8.41,3.08,;9.75,2.31,;9.75,.77,;8.41,,;8.41,-1.54,;7.08,-2.31,;5.75,-1.54,;7.08,-3.85,;5.75,-4.62,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;11.08,,;12.42,.77,;13.87,.3,;14.77,1.54,;13.87,2.78,;12.42,2.31,;11.08,3.08,;11.08,4.62,)|
40537 CCn1c2c(OC)ccc(OC)c2sc1=NC(=O)c1ccc(cc1)-n1c(O)ccc1O |w:15.17|
40538 CCSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(C)cc1
40539 CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
40540 OC(C(=O)OCC(=O)c1ccc2OCCOc2c1)c1ccccc1
40541 CCOC(=O)Cn1c(nc2ccccc12)-c1nonc1NC(=O)c1ccccc1F
40542 CSc1nnc-2c(OC(N(C(C)=O)c3ccccc-23)c2ccsc2)n1
40543 Cc1ccc(cc1)S(=O)(=O)c1nc(sc1NCC1CCCO1)S(C)(=O)=O
40544 C[C@]12CC[C@H]3[C@@H](C[C@H](O)c4cc(O)ccc34)[C@@H]1CC[C@@H]2O
40545 CCOC1C=Cc2ccccc2N1C(=O)OCC |c:4|
40546 Brc1ccc(s1)C(=O)NCCCCCCNC(=O)c1ccc(Br)s1
40547 CCc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc34)c(cc2c1)C#N
40548 Cc1ccc(NC(=O)CSc2nnnn2-c2ccc3OCOc3c2)cc1C
40549 CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O
40550 COc1cccc(c1)-n1nnnc1SCC(=O)Nc1ccc(cc1)C(C)=O
40551 O=C1C(C(=O)c2ccccc12)c1ccnc2ccccc12
40552 Cc1ccc2ccc(nc2c1)C1C(=O)c2ccccc2C1=O
40554 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(o1)-c1ccccc1)C(C)=O
40555 Brc1ccc(o1)C(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1
40556 O=c1cc(oc2c3ccccc3ccc12)-c1ccco1
40557 COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
40558 COc1ccc(cc1)-c1c2C(=O)c3ccccc3-c2nc(C)c1C#N
40559 O=C(Oc1cccc(c1)-c1cnc2ccccc2n1)c1ccco1
40560 O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
40561 Cc1cc2oc(=O)cc(COC(=O)c3n[nH]c4ccccc34)c2cc1C
40562 COC(=O)c1ccc(COC(=O)c2ccc(cc2)S(=O)(=O)N2CCC(C)CC2)o1
40563 Brc1ccc(s1)C(=O)Nc1nc(cs1)-c1ccccn1
40564 COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NC(=O)NCc1ccccc1
40565 CCN1CCN(CC1)c1ccc(NC(=O)c2cccc3ncccc23)cc1
40566 O=C1C(Cc2ccccc12)Sc1nnc(o1)-c1ccccn1
40567 O=C(NCc1ccco1)c1ccc(cc1)S(=O)(=O)NCC1CCCO1
40568 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCC1CCCO1
40569 Cc1c(NC(=O)c2cc3nc(cc(C)n3n2)-c2ccccc2)c(=O)n(-c2ccccc2)n1C
40570 N1C(Nc2cccc3cccc1c23)c1ccco1
40571 Cc1nn2c(N)csc2nc1=O
40572 COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1
40573 OC(=O)CCc1ccc(-c2cccs2)n1CCC(O)=O
40574 Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)C(=O)NCC1CCCO1
40575 CC(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1ccco1
40576 Cc1ccc(C)n1C(Cc1ccccc1)C(O)=O
40577 Oc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
40578 COc1ccc(NC(=O)C2CCN(CC2)c2nc(C)nc3CCCc23)cc1
40579 CC1CCN(CC1)c1ccc(cc1N)C(O)=O
40580 c1coc(c1)-c1nn2c(nnc2s1)-c1ccco1
40581 CCN(CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
40582 CN(C)c1ccc(NC(=O)CN2c3ccccc3N=C(CC2=O)c2ccccc2)cc1 |c:19|
40583 O=C1N(CC#CCN2CCN(CC2)C2CCCCC2)C(=O)c2ccccc12
40584 Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12
40585 NC(=O)C(C#N)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1 |t:9,19|
40586 CCn1c(SC(C)C(O)=O)nc2sc3CCCc3c2c1=O
40587 CC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccco1 |c:3|
40588 O=C(CCN1CCc2ccccc12)c1ccc2OCCOc2c1
40589 Cc1ccc(cc1)N1CN=c2sc(=Cc3cccnc3)c(=O)n2C1 |t:10|
40590 Cc1ccc(C)n1Cc1ccc(cc1)C(O)=O
40591 Cn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1
40592 OC(CN(c1ccccc1)S(=O)(=O)c1ccccc1)CN1CCCCC1
40593 CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1
40594 Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
40595 Brc1cc(coc1=O)C(=O)N1CCOCC1
40596 COc1ccccc1C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|
40597 COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(Cc2ccc3OCOc3c2)CC1
40598 CN(C)CCSc1nc(N)c2c3CCN(C)Cc3sc2n1
40599 Fc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
40600 COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(CC1)C(N)=O
40601 COCCN1CCn2c(C1)nc1cc(NC(=O)NC3CCCCC3)ccc21
40602 O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(CC23)c2ccccc2)C(=O)N1c1ccccc1
40603 Clc1ccc(SCC(=O)c2ccco2)cc1
40604 Clc1ccc2nc(CN3CCCc4ccccc34)cn2c1
40605 Clc1cnc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(Cl)c1
40606 CC(C)C(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
40607 Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
40608 Cc1cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c(C)n1C
40609 Cc1ccc(c(C)c1)-n1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1 |(7.42,4.25,;7.74,2.75,;6.6,1.72,;6.92,.21,;8.39,-.27,;9.53,.76,;10.99,.29,;9.21,2.27,;8.71,-1.77,;10.11,-2.4,;11.45,-1.63,;12.78,-2.4,;14.11,-1.63,;14.11,-.09,;15.45,.68,;15.45,2.22,;16.78,-.09,;18.24,.38,;19.14,-.86,;18.24,-2.1,;16.78,-1.63,;15.45,-2.4,;9.95,-3.93,;8.45,-4.25,;7.68,-2.92,;6.14,-2.76,;5.24,-4,;3.71,-3.84,;3.08,-2.44,;3.99,-1.19,;5.52,-1.35,)|
40610 COc1ccccc1NCCC(=O)OCC(=O)NCc1ccco1
40611 O=C(COC(=O)c1cccs1)NCc1ccco1
40612 Cc1cc(C)c(NC(=O)c2cc3c(nc4sccn34)s2)c(C)c1
40613 Cc1ccc(OCCSc2nnc(-c3ccncc3)n2C)cc1
40614 Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
40615 O=C(N1CCc2ccccc12)c1cnccn1
40616 Cc1cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)c(C)n1CCCn1ccnc1
40617 FC(F)(F)c1cnc(Nc2ccc(cc2)N2CCOCC2)c(Cl)c1
40618 COc1ccc(NC(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OC)cn1
40619 CCOc1ccc(cc1OCC)C(=O)OCC(=O)NCc1ccco1
40620 COc1cc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC
40621 CC(=N)C(C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1
40622 O=C(NCc1ccco1)c1c2CCCc2nc2ccccc12
40623 Brc1cncc(c1)C(=O)OCC(=O)NCc1ccco1
40624 Cn1c(nc2ccccc12)C(C#N)C1=C(Cl)C(=O)N(C1=O)c1ccccc1 |c:15|
40625 C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CCCCC1
40626 COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc12
40627 CC(C)Nc1nnc(SCC(=O)C(C#N)C(C)=N)s1
40628 CCn1ccc(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1OC
40629 OC(=O)c1cccc(c1)-n1cccc1CN=O
40630 CSc1ccccc1NC(=O)c1noc2CCCc12
40631 COC(=O)c1ccccc1NC(=O)c1noc2CCCc12
40632 Cc1cc(C)c2cc3n(ccc3cc2n1)C1OC[C@H](O)[C@H](O)[C@H]1O
40633 COc1ccc(cc1)-c1nc2N=C(C)C(C(c3cccnc3)n2n1)C(N)=O |t:12|
40634 O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(CC1)c1nnc(s1)-n1cccc1
40635 COC(=O)CNc1c(nc2ccc(Br)cn12)-c1ccccn1
40636 O=c1n(CCCN2CCCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
40637 Cc1nc(c(C#N)c(C)c1Cl)S(=O)(=O)NCC=C
40638 Cc1cc(C)nc(Nc2ccc(cc2)N2CCCC2)n1
40639 CCOc1ccc(cc1Br)C(=O)Nc1ccc(cc1)N1CCN(C)CC1
40640 Cc1ccc(CNc2ccc3OCOc3c2)cc1
40641 COCc1cc(ccc1OC)C1SCC(=O)Nc2c1c(=O)[nH]n2C(C)C
40642 CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C
40643 CCOc1ccc2[nH]c(=O)c(=O)[nH]c2c1
40644 CCCC1=NC(=O)NC(C1C(=O)OCC)c1cc(Cl)cc(OC)c1OCC(=O)OCC |t:3|
40645 COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1
40646 Cc1ccc2cccc(c2n1)S(=O)(=O)Nc1ccc2OCOc2c1
40647 C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
40648 COc1ccc(nn1)N1C(=O)c2cccc3cccc(C1=O)c23
40649 COc1ccccc1-c1nnc2sc(nn12)-c1cnccn1
40650 Cc1c(C2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(=O)C23)c(=O)n(-c2ccccc2)n1C |t:14|
40651 COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl
40652 CN(C)c1ccc(NC(=O)Cn2cc3CCCCc3n2)cc1
40653 O=C(NCCN1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 |(8.81,-3.34,;7.48,-2.57,;6.14,-3.34,;6.14,-4.88,;4.81,-5.66,;4.81,-7.2,;6.2,-7.86,;6.54,-9.36,;5.58,-10.57,;4.04,-10.57,;3.08,-9.36,;3.42,-7.86,;7.48,-1.03,;6.14,-.26,;6.14,1.28,;7.48,2.05,;7.48,3.59,;8.81,4.36,;8.81,5.9,;7.27,5.9,;10.35,5.9,;8.81,7.44,;7.48,8.21,;7.48,9.75,;8.81,10.52,;10.15,9.75,;11.52,10.57,;12.92,9.78,;12.92,8.17,;11.52,7.38,;10.15,8.21,;8.81,1.28,;8.81,-.26,)|
40654 CN(C)S(=O)(=O)NCc1cn2c(C)csc2n1
40655 Cc1cccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)c1
40656 Cc1ccc2n(CC=C)c3nc4nnc(SCC=C)n4nc3c2c1
40657 [#6]-c1ccc(-[#8])c(-[#7]\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1
40658 Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc1C
40659 Cc1cccc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1C
40660 O=C1CCCC2=C1C(Nc1ccc3ccccc3c21)c1ccco1 |c:5|
40661 Cc1ccc2nsnc2c1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O
40662 CCCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
40663 OC(=O)c1ccccc1NC(=O)c1ccccc1
40664 Cn1c2ccc(cc2n(C)c1=O)S(=O)(=O)Nc1ccccc1O
40665 C1CCC2(CC1)Nc1cccc3cccc(N2)c13
40666 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cnnn1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
40667 Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1
40668 Cc1ccc(C)n1-c1sccc1C(O)=O |(10.55,1.2,;9.09,1.68,;8.61,3.14,;7.07,3.14,;6.6,1.68,;5.13,1.2,;7.84,.77,;7.84,-.77,;9.09,-1.68,;8.61,-3.14,;7.07,-3.14,;6.6,-1.68,;5.13,-1.2,;3.99,-2.23,;4.81,.31,)|
40669 COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3oc(=O)c2c1
40670 Cc1ccc(cc1)-n1nc2ccc(NC(=O)c3ccc4OCOc4c3)cc2n1
40671 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCc2ccccc2C1
40672 CCS(=O)(=O)NCc1ccc2n(C)c(C)cc2c1
40673 COc1ccc(NC(=O)c2noc3CCCc23)cc1
40674 CCc1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
40675 CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
40676 CC1CC(C)CN(C1)C(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1NCCO
40677 Cc1ccc(NC(=O)Nc2cccs2)c(Cl)c1
40678 Cc1cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)cc(C)c1Cl
40679 CCC1=[N+](C)CCn2c(C)ccc12 |c:2|
40680 CN(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3C(=NCC2=O)c2ccccc2)cc1 |c:20|
40681 COc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
40682 O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCCC1
40683 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15|
40684 Cc1ccc2n3CCN(C4CCc(c34)c(=O)c2c1)C(=O)CCl
40685 CN(C)Cc1c(C)n(Cc2ccccc2)c2C(=O)c3ccc(Br)cc3-c12
40686 CSc1nc2N=C3CC(C)(C)CC(=O)C3C(c3ccccn3)n2n1 |t:5|
40687 O=C(Nc1cccnc1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
40688 Clc1cnc(NC(=O)COC(=O)Cc2ccccc2)c(Cl)c1
40689 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)(C2)C3 |TLB:8:1:28:6.9.5,THB:2:3:9:1.27.8,2:1:9:3.28.5|
40690 [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
40691 O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
40692 Cc1cnnn1-c1ccc(cc1)C(=O)CCl
40693 O=C(N1CCN(CC1)c1ccccc1)c1cc2CCCc2s1
40694 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCN(CC1)C(=O)c1ccco1
40695 Cc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccc3cccnc3c-21)-c1ccc(Br)cc1
40696 COc1cccc(c1)N1CCN(Cc2ccsc2)CC1
40697 Oc1ccc(cc1O)-c1cn2CCSc2n1
40698 Cc1csc(N=[NH+]C[c-]2ccc(=O)c(c2)[N+]([O-])=O)n1 |w:6.6|
40699 Oc1ccc(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)cc1 |w:6.6|
40700 CC(=O)c1c(CC(O)=O)[nH]n(-c2nc3ccccc3s2)c1=O
40701 CN(C)S(=O)(=O)N(CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1
40702 CCC(=O)Nc1cccc(NC(C)=O)c1
40703 COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCN(C)CC1
40704 [Cl-].Cc1cc[n+]2CCCc3cccc1c23
40705 Cc1cc(-c2csc(N)n2)c(C)n1C
40706 CCCCNC(=O)COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
40707 C[C@H](N1C(=O)C2CCCCC2C1=O)C(=O)Nc1nc(cs1)-c1ccccn1
40708 Cc1ccc(cc1C)N=Nc1ccc(O)c(C=NNC(=O)c2ccc(N)cc2)c1 |w:8.8,17.18|
40709 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
40710 COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(O)=O
40711 O=C(COC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1)NCC1CCCCC1
40712 Clc1ccc(cc1)C(=O)NN=c1c2cccc3cccc(c23)c1=O |w:10.10|
40713 CC(=N)C(C#N)C(=O)CSc1nc2ccccc2[nH]1
40714 COc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
40715 OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
40716 COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1
40717 Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
40718 CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCCN1C(=O)c2ccccc2C1=O
40719 [O-][N+](=O)c1cc(ccc1Cl)-c1ccc(\C=N\c2nc3ccccn3c2-c2ccco2)o1
40720 CN(C)c1cccc(c1)C(=O)OCc1cc(=O)oc2cc(O)ccc12
40721 OC(=O)CN1C(=O)\C(=C2/SC(=Nc3nccs3)N(CC=C)C2=O)c2ccccc12 |w:11.11|
40722 COc1ccc(cc1)C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|
40723 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccc2OCOc2c1
40724 [O-][N+](=O)c1cc(cn(Cc2cccc(Cl)c2)c1=O)C(F)(F)F
40725 OCCN1CCN(CC1)c1cccc2C(=O)c3ccccc3C(=O)c12
40726 Nc1cc2nsnc2cc1Br
40727 Fc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1 |w:6.6|
40728 Oc1ccc(C=NNC(=O)COc2ccccc2C(=O)NN=Cc2ccc(O)c(O)c2)cc1O |w:21.21,6.6|
40729 Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1
40730 Cc1ccc2nc3sc(-c4nnc(o4)-c4ccccc4[N+]([O-])=O)c(N)c3cc2c1
40731 COC(=O)c1c(O)c(=Cc2cccs2)n(-c2ccccc2)c1=C
40732 NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O |w:6.6,8.7,14.21,c:16,20|
40733 COc1cc(NS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2ncccc2c1
40734 COc1cc(N)c2ncccc2c1
40735 CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12
40736 COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC
40737 COc1cc(NCCCN(CC(C)C)CC(C)C)c2ncccc2c1Cl
40738 COc1cc(NCCCCN)c2ncccc2c1
40739 CCN(CC)CCCC(C)Nc1cc(O)cc2cccnc12
40740 CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12
40741 Nc1cc(O)cc2cccnc12
40742 CCC(CC)NCCCNc1cc(OC)cc2cccnc12
40743 COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1
40744 COc1ccc(Oc2c(OC)cc(NCCCCCNC(C)C)c3ncccc23)cc1
40745 COc1ccccc1N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
40746 FC(F)(F)C(=O)N1CCN(CC1)c1nc(-c2ccccc2)c2ccccc2n1
40747 COc1ccc(cc1OC)-c1cc(nc(n1)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F
40748 CCOC(=O)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1ccc(OC)c(OC)c1
40749 CCC(=O)Nc1cc(ccc1OC)-c1cn2cccnc2n1
40750 COc1ccc(cc1NC(=O)C(C)C)-c1cn2cccnc2n1
40751 COc1ccc(cc1NC(=O)CC1CCCCC1)-c1cn2cccnc2n1
40752 COc1ccc(cc1NC(=O)c1c(F)cccc1F)-c1cn2cccnc2n1
40753 COc1ccc(cc1NC(=O)c1c(F)cccc1Cl)-c1cn2cccnc2n1
40754 COc1ccc(CC(=O)Nc2cc(ccc2OC)-c2cn3cccnc3n2)cc1
40755 COc1ccc(cc1NC(=O)Cc1ccc(Cl)cc1)-c1cn2cccnc2n1
40756 Cc1nn(-c2ccccc2)c2sc(cc12)-c1n[nH]c(=S)o1
40757 COc1cccc(c1)-c1nnc(Nc2nc3c(F)cccc3s2)o1
40758 Fc1cccc2sc(Nc3nnc(o3)-c3ccccc3)nc12
40759 CC(=O)N[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
40760 CN1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O |r|
40761 CC(=O)N[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
40762 CN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|
40763 CN1CC(NC(C)=O)C(O)C(O)C1CO
40765 CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O |r|
40766 CC1NC2C(OC(CO)C(O)C2=O)S1
40767 CC1=NC2C(OC(OS([O-])(=O)=O)C(O)C2O)S1 |t:1|
40768 CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1
40769 CN(C)c1ccc(cc1)\N=N/c1ccc(cc1)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1
40770 NC(Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(O)=O
40771 NC(Cc1ccc(OC(=O)c2ccc3ccccc3c2)cc1)C(O)=O
40772 O[Si](O)(C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r|
40773 OC1Cc2ccccc2C1NC(=O)[C@H](Cc1ccccc1)C[Si](O)(O)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 |r|
40774 OC(C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12)C[C@@H](Cc1ccccc1)C(=O)NC1C(O)Cc2ccccc12 |r|
40775 OC(C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |r|
40776 COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r|
40777 CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)[C@H]1OC2(C[C@@H](O)[C@H](C)C(C\C=C\C#N)O2)C(C)(C)[C@H]1OP(O)(O)=O |r|
40778 COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@@H]2OC(C)(C)O[C@H](C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)C2C)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r|
40779 COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](OC(C)=O)[C@@H]2C)O[C@H]([C@H](C[C@H](OC(C)=O)C(C)[C@H](OC(C)=O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r|
40780 COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](OC(C)=O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r|
40781 CC[C@H](O)CC1(OCC\C=C\c2coc(n2)C(C)CCNC(=O)[C@@H](O)C(O)[C@H](COC)N(C)C)O[C@H]([C@H](C[C@H](O)C(C)C2OC(C)([C@H](Br)[C@H]2C)C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C1(C)C |r|
40782 CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)[C@H]1OC2(C[C@@H](O)[C@H](C)C(C\C=C\c3coc(n3)C(C)CCNC(=O)CO)O2)C(C)(C)[C@H]1OP(O)(O)=O |r|
40783 CO[C@@H](C[C@H](O)C(C)[C@H](O)C(C)CO)[C@H]1OC2(C[C@@H](O)[C@H](C)C(CCO)O2)C(C)(C)[C@H]1OP(O)(O)=O |r|
40784 COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](O)C3(C)C)co1)N(C)C |r|
40785 COC[C@@H](C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C(N)=O)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r|
40787 CN[C@@H](COC)C(O)[C@H](O)C(=O)NCCC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1 |r|
40790 COC[C@@H](C(O)[C@H](O)C(=O)NC(C)CC(C)c1nc(\C=C\CC2OC3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)C(C)[C@H](O)C(C)\C=C(/C)\C(\C)=C\C=C\C(\C)=C\C#N)OC)[C@H](OP(O)(O)=O)C3(C)C)co1)N(C)C |r|
40791 O=C(Oc1ccc(cc1)-n1cnnn1)c1ccco1
40792 CC(C)(C)NC(=O)C(N(Cc1ccc2OCOc2c1)C(=O)Cn1nnc2ccccc12)c1ccco1
40793 Clc1ccc(N2CCOCC2)c(NC(=O)c2cnccn2)c1
40794 [H]C12OC3(CN(C(C)CC)C(=O)C3C1C(=O)OCc1ccccc1)C=C2 |c:27|
40795 O=C(Cc1ccc(cc1)-c1ccccc1)NCCN1CCOCC1
40796 O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1
40797 COc1ccc(Cl)cc1NC(=O)CCN1CCN(CC1)c1ccccc1C
40798 CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1
40799 Cc1nn(C)c(C)c1NC(=O)c1ccnn1C
40800 O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CCCCC1)c1ccco1
40801 [H]C12CC3([H])CC([H])(C1)CCC(C2)(C3)C(=O)N1CCOCC1 |TLB:5:3:12:6.8.10.9,14:11:2:6.8.5,THB:5:6:12:3.13.2,10:11:2:6.8.5,9:6:11.12.13:2|
40802 CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NCc1cccs1
40803 OC(=O)COCc1nc2ccccc2[nH]1
40804 COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C3(C(=O)N(Cc4ccccc4)c4ccccc34)c12
40805 CCOC(=O)N1CCN(CC1)C(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1
40806 CNC=C1C(=O)C(C)(C)Oc2ccc3ccc(=O)oc3c12 |w:2.1|
40807 COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc12
40808 CN(C)c1ccc(C(=O)c2ccccc2C(O)=O)c(O)c1
40809 OC(=O)CCCC(=O)Nc1ccccc1C(O)=O
40810 Oc1ccc(cc1)\N=C1/SCC(=O)N1c1ccc(O)cc1
40811 CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccccc1OCC |c:8|
40812 COc1cccc(NC(=O)CCP(C)(O)=O)c1
40813 COc1ccc(NC(=O)CSC2=NC3=C(C(C2C#N)c2ccco2)C(=O)CCC3)c(OC)c1 |c:13,t:11|
40814 O=c1cc(nc2nc([nH]n12)-c1ccccc1)-c1ccccc1
40815 CN(C)CCN1C(C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)C(=O)C1=O)c1ccncc1
40816 CCOc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)c1ccccn1
40817 COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1
40818 CCn1c2ccccc2nc(C(C)=O)c1=O
40819 COc1cc(OC)cc(c1)C(=O)Nc1ncc2C(=O)CC(C)Cc2n1
40820 CCc1ccc(cc1)-c1cn(-c2nc(C)cc(C)n2)c(=N)o1
40821 Cn1c(=O)n(-c2ccccc2)c2nc(NCC3CCCO3)[nH]c2c1=O
40822 O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40823 Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nccs1
40824 CC1CNC(S1)=Nc1cccc2ccccc12 |w:6.7|
40825 O=C(NC1=NCCS1)c1cccc(c1)S(=O)(=O)N1CCCCC1 |t:3|
40826 Cc1c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c(=O)n(-c2ccccc2)n1C
40827 Cc1csc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)n1
40828 O=C(Nc1nc(cs1)-c1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCCC1
40829 COc1cc(cc(OC)c1OC)-c1nnc(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)o1
40830 COc1ccc(cc1OC)C(=O)OCn1nnc2ccccc2c1=O
40831 CCN1CCN(CC1)C=Nc1nc2CCCCc2s1 |w:9.10|
40832 Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1
40833 CN(C)S(=O)(=O)c1cccc(c1)C(=O)N(c1nc(C)cs1)c1ccccc1
40834 Cc1cc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)n(n1)-c1ccccn1
40835 O=C(NCc1cccs1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40836 CCOC(=O)c1sc(NC(=O)c2cc(ccc2C)S(=O)(=O)N2CCOCC2)nc1C
40837 Cc1csc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)n1
40838 COc1cc(cc(OC)c1O)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
40839 COc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2C)cc1
40840 COc1ccc(CNC(=O)c2cc(on2)-c2ccc(OC)c(OC)c2)cc1
40841 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)N(Cc1nc(no1)-c1ccc(C)cc1)C(C)C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
40842 CCOc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OCC
40843 Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1
40844 CCOC(=O)COc1nc(OC)nc(n1)N1CCOCC1
40845 CCc1ccccc1N(C1CS(=O)(=O)C=C1)C(=O)c1cccs1 |c:15|
40846 CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
40847 O=C(NCCc1ccccc1)c1noc-2c1CCc1ccccc-21
40848 CCOC(=O)c1nnn(c1CN(C)C1CCCCC1)-c1nonc1N
40849 CC(C)c1ccc(cc1)C(=O)CSc1nc(C)cc(=O)[nH]1
40850 COc1cccc(c1)C1=Nc2nnnn2C(C1)c1cccc(OC)c1OC |t:9|
40851 COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1
40852 CCCS(=O)(=O)N1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1
40853 CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4OCOc4c3)CC2)cc1
40854 CCC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
40855 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccs1
40856 CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
40857 Cc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCc1cccnc1
40858 CC(C)NC(=O)c1cc(on1)-c1ccc(Br)cc1
40859 CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
40860 Cc1ccc(CCNC(=O)C2CCC(=O)N2Cc2cccnc2)cc1
40861 CCN1CCN(CC1)c1ccc(cc1)-n1c(C)nc2n(ncc2c1=O)-c1ccccc1Cl
40862 NC(=O)C1(CCN(CC1)C(=O)Nc1ccccc1C(F)(F)F)N1CCCCC1
40863 Cc1ccc(cc1)-n1c(SCC(=O)N2CCCC2)nc2CCSc2c1=O
40864 COc1ccc(NC(=O)CSC2CCCCC2)cc1
40865 COc1ccc(NC(=O)c2cccs2)cc1OC
40866 COCCCNC(CC(=O)Nc1ccccc1C(=O)OC)C(O)=O
40867 Oc1ccc(O)n1-c1cc(Cl)ccc1OC(=O)c1ccco1 |(13.56,1.55,;12.1,2.03,;11.62,3.49,;10.08,3.49,;9.61,2.03,;8.14,1.55,;10.85,1.13,;10.85,-.41,;12.19,-1.18,;12.19,-2.72,;13.52,-3.49,;10.85,-3.49,;9.52,-2.72,;9.52,-1.18,;8.18,-.41,;6.85,-1.18,;6.85,-2.72,;5.52,-.41,;5.36,1.12,;3.85,1.44,;3.08,.1,;4.11,-1.04,)|
40868 Cc1sc2nc(oc(=O)c2c1C)-c1ccco1
40869 CCCc1nc2ccccc2c(=O)n1-c1c(C)n(C)n(-c2ccccc2)c1=O |(6.2,5.73,;7.53,4.96,;7.53,3.42,;8.87,2.65,;10.2,3.42,;11.53,2.65,;12.91,3.47,;14.3,2.68,;14.3,1.08,;12.91,.29,;11.53,1.11,;10.2,.34,;10.2,-1.2,;8.87,1.11,;7.53,.34,;6.12,.97,;5.8,2.47,;5.09,-.18,;3.56,-.02,;5.86,-1.51,;5.24,-2.92,;3.71,-3.08,;3.08,-4.49,;3.99,-5.73,;5.52,-5.57,;6.14,-4.16,;7.37,-1.19,;8.52,-2.22,)|
40870 CC(=O)c1cc2OCOc2cc1NC(=O)C1CC=CCC1C(O)=O |c:19|
40871 CCOc1ccc(cc1)-n1c(O)cc(N2CCN(CC2)c2ccccc2F)c1O
40872 CCOC(=O)C1CCN(CC1)C(=O)c1cc(OCC)c(OCC)c(OCC)c1
40873 CC(=O)c1cn(CC(=O)NCc2ccc3OCOc3c2)c2ccccc12
40874 COc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=O)c1ccccc1Cl
40875 COc1ccc(NC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)c(OC)c1
40876 CCCCC(=O)Nc1ccc(NC(=O)c2ccc3OCOc3c2)cc1OC
40877 O=C1CCCC2=NC(Nc3nc4ccccc4o3)=NC3(CCCCC3)C12 |c:19,t:5|
40878 O=C(NC1CCCC1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40879 COC(=O)COc1cccc(NC(=O)c2ccccc2)c1
40880 CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1
40881 Cc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)C2CC2)no1
40882 CCOC(=O)c1c(NC(=O)CN2CCN(CC)CC2)scc1-c1ccc(C)o1
40883 Cc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCOCC2)cc1C
40884 Clc1ccc(NC(=O)c2ccc3OCOc3c2)cc1
40885 O=C(NC1CCS(=O)(=O)C1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40886 [O-][n+]1c(-c2ccco2)c(=O)n(OCc2ccccn2)c2ccccc12
40887 CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1
40888 Cc1cc(C)c2c(CC(=O)NCc3ccco3)coc2c1
40889 Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1
40890 CC(=O)NC(=O)NC1CSCC1OC(C)=O
40891 CCCCn1c(n[nH]c1=S)-c1cc(Cl)ccc1OC
40892 Cc1ccc(cc1)-c1cc(no1)C(=O)NCc1ccccn1
40893 O=C(N1C(=O)c2cccc3cccc1c23)c1ccco1
40894 CCn1c(CCn2ccnc2C)n[nH]c1=S
40895 COc1ccccc1CN1CCCCC1c1cccnc1
40896 CC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nccs1
40897 COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1
40898 CC(C)NS(=O)(=O)c1cc(ccc1Cl)C(O)=O
40899 CCc1c(C)scc1C(=O)NCc1cnn(C)c1
40900 CC(C)(C)c1cc(ccn1)C(=O)NCc1ccccc1
40901 CCOC(=O)COc1ccc(cc1)S(=O)(=O)NCCC1=CCCCC1 |t:20|
40902 COc1ccc(cc1C(=O)Nc1nc2ccccc2s1)S(=O)(=O)N1CCOCC1
40903 O=C(NCc1ccco1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40904 COc1ccc(cc1Br)C(=O)n1ccc(C)n1
40905 Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NCc1ccccc1Cl
40906 CN(CCNC(=O)Cn1c2ccccc2sc1=O)Cc1ccccc1
40907 Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1
40908 Cc1nc(C)c(o1)C(=O)Nc1cccc(C)c1C
40909 CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccccc1Cl
40910 CCOc1ccc(cc1)C1CC(c2cccc(Cl)c2)n2nc(N)nc2N1
40911 O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCc2ccccc12)N1CCCCC1
40912 CC1CCCN(C1)C(C(=O)Nc1ccc2OCOc2c1)c1ccccc1
40913 COc1ccc2-c3onc(C(=O)NCc4ccc(F)cc4)c3CCc2c1
40914 COc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCN(C)C
40915 CC(C)c1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
40916 COc1ccc(Nc2cc(C)nc3nc(C)nn23)c(OC)c1
40917 COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1
40918 CCCCn1c(=O)cc([nH]c1=O)N1CCOCC1
40919 Cc1nc2sc(C(N3CCN(Cc4ccccc4)CC3)c3cccs3)c(O)n2n1
40920 O=[#6]1-[#6]-[#6]-[#6]-[#6](=O)\[#6]-1=[#6]\[#7]-[#6]-[#6]-c1ccccc1
40921 Cc1coc2c(C)c3oc(=O)c4CCCCc4c3cc12
40922 O=C(Nc1nccs1)c1cccc(c1)S(=O)(=O)N1CCOCC1
40923 O=C(Nc1ccccn1)c1cccc(c1)S(=O)(=O)N1CCCCC1
40924 Cc1csc(NC(=O)c2ccco2)n1
40925 CC1(C)N(O)C(N=C1c1ccccc1)c1cccnc1 |c:6|
40926 CCCCN1C(=O)\C(=C2/SC(=NC2=O)N2CCCCC2)c2ccccc12 |c:10|
40927 Nc1c(cnn1CC1CCCCC1)C#N
40928 O=C(CN1CCN(CC(=O)Nc2ccccn2)CC1)Nc1ccccn1
40929 CCOC(=O)c1ccc(CSc2nncn2N)o1
40930 Cc1nc2scc(-c3cccs3)c2c(=O)o1
40931 O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1
40932 COc1ccccc1CNC(=O)C1COc2ccccc2O1
40933 CC(=O)Nc1ccc(NC(C)=O)s1
40934 COc1ccccc1Nc1nc(cs1)-c1cccs1
40935 COc1ccc(cc1OC)C(=O)SC1=NCCS1 |t:14|
40936 CCOC(=O)CSc1nc(nc2ccccc12)C1CC1
40937 COCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:29,t:15|
40939 CN1CCN(CC1)c1ccc(N)c(c1)N1CCN(C)CC1
40940 CC(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1
40941 Cc1ccccc1-c1ccc(Nc2ccc(cc2)N2CCOCC2)nn1
40942 Oc1c(C(=O)Nc2cccnc2)c(=O)c2cccc3CCn1c23
40943 COC(=O)CSc1nc(nc2ccccc12)C(C)C
40944 O=C(OCCN=C1NS(=O)(=O)c2ccccc12)c1cccnc1 |w:5.4|
40945 CCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1
40946 Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc2nsnc12
40947 CCN(CC)C(=O)CSc1nc2ccc(CC)cc2cc1C#N
40948 OP(O)(=O)C(=C)c1cccc2ccccc12
40949 CC(C)c1nc2n[nH]c(N)c2c2CCCCc12
40950 COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCc2ccccc12
40951 COCCN(Cc1ccccc1)P(O)(=O)c1ccccc1OCC(O)=O
40952 CN1CCc2c(C1)sc1N=CN3N\C(N=C3c21)=C1/C=CC=CC1=O |c:10,15,22,24|
40953 OP(O)(=O)c1cccc(Cl)c1C(=O)Oc1ccccc1
40954 CC(C)c1nc2n[nH]c(N)c2c2CCCc12
40955 Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1
40956 NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
40957 Clc1ccc(Cl)c2c3CCNC(=O)c3[nH]c12
40958 COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OC)cc1O
40959 Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1 |(8.76,5.94,;7.85,4.69,;6.31,4.69,;5.84,3.23,;7.08,2.32,;7.08,.78,;5.75,.01,;5.75,-1.53,;4.41,-2.3,;3.08,-1.53,;4.41,-3.84,;5.75,-4.61,;4.98,-5.94,;6.52,-5.94,;7.08,-3.84,;7.08,-2.3,;8.41,-1.53,;8.33,3.23,;9.79,2.75,;10.11,1.25,;11.58,.77,;12.72,1.8,;12.4,3.31,;10.94,3.78,)|
40960 Cc1n[nH]c(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1 |(8.76,5.94,;7.85,4.69,;6.31,4.69,;5.84,3.23,;7.08,2.32,;7.08,.78,;5.75,.01,;5.75,-1.53,;7.08,-2.3,;8.41,-1.53,;7.08,-3.84,;5.75,-4.61,;4.98,-5.94,;6.52,-5.94,;4.41,-3.84,;4.41,-2.3,;3.08,-1.53,;8.33,3.23,;9.79,2.75,;10.11,1.25,;11.58,.77,;12.72,1.8,;14.19,1.33,;12.4,3.31,;10.94,3.78,)|
40961 O=C1Nc2ccc(NS(=O)(=O)c3cccs3)c3cccc1c23
40962 FC(F)(F)c1cnc2Sc3ccccc3Nc2c1
40963 CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)n(n1)-c1ccccc1
40964 CCCn1c(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
40965 Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccccc3)c2n1
40966 [#6]C([#6])([#6])[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)P([#8])([#8])=O
40967 N#CCSc1nc(Nc2ccc3OCOc3c2)c2ccccc2n1
40968 Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1ccc2OCOc2c1
40969 O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13|
40970 CSc1nc2ccc3nc(NC(=O)c4cccs4)sc3c2s1
40971 Cn1c2ccccc2c(=O)n2c1cc1ccccc1c2=O
40972 O=C(NCCc1c[nH]c2ccccc12)C1CCN(CC1)c1nnc(s1)N1CCCC1=O
40973 OP(O)(=O)c1ccccc1OCCCCCOc1ccccc1P(O)(O)=O
40974 COc1ccc(cc1OC)N=CC1C(=O)Nc2ccccc12 |w:10.10|
40975 CN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1ccco1
40976 COc1cc(cc(OC)c1O)C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:26|
40977 CCN1CCc2c(C1)sc(N)c2C#N
40978 OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl
40979 COc1cc2nc(oc(=O)c2cc1OC)-c1ccc(Br)o1
40980 OC(=O)c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1Cl
40981 COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1
40982 Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)c(C)c1
40983 OC(=O)c1ccccc1OCCOCCOc1ccccc1C(O)=O
40984 COC(=O)C1C(NC(=O)N=C1CSCc1ccco1)c1cc(C)ccc1C |c:9|
40985 Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)COc2ccc(Cl)c(C)c2)c1
40986 OC(=O)c1ccc(F)c(c1)S(=O)(=O)Nc1ccccc1
40987 CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)cc1
40988 CCOCCOC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:30,t:16|
40989 COC(=O)C1C(c2ccsc2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:26,t:12|
40990 Cc1cc(C)cc(OCC(=O)Nc2ccc(cc2)N2CCCC2)c1
40991 Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12
40992 COC(=O)Cc1ccc2c(c1)n(C)c1ccccc21
40993 O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1cc2ccccc2o1
40994 CCOC(=O)c1cnn(c1N)-c1ncnc2sc(CC)cc12
40995 Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1
40996 O=NCc1c(Nc2ccccc2)nc2ccccn2c1=O
40997 CN(C)C=NC(=O)C(C#N)C1=Nc2ccccc2CC1 |w:4.4,t:10|
40998 Cc1c(N2C(=O)c3ccc4CCc5ccc(C2=O)c3c45)c(=O)n(-c2ccccc2)n1C
40999 COc1cc(cc(OC)c1O)C1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2 |c:26|
41000 CCOC(=O)CSc1nc(nc2ccccc12)C(C)C
41001 CC(C)c1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
41003 Cc1ccc2nc(oc(=O)c2c1)-c1ccc(Br)o1
41004 Brc1ccc(o1)-c1nc2ccccc2c(=O)o1
41005 O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
41006 Cc1oc(cc1C(=O)Nc1cccc2ccccc12)-c1ccccc1
41007 CCOC(=O)C1=C(OC(=N)C(C#N)C1C1CCCCC1)c1ccccc1 |t:5|
41008 CCOc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1
41009 Fc1ccc(cc1)-c1onc2ccc(C=O)cc12
41010 Cc1ccc(cc1)-c1onc2ccc(C=O)cc12
41011 O=Cc1ccc2noc(-c3ccccc3)c2c1
41012 c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1
41013 COc1ccc(cc1)C(=O)Nc1nc2ccc3nc(C)sc3c2s1
41014 NC(=O)C(C#N)C1=Nc2ccccc2CC1 |t:6|
41015 CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C
41016 COc1ccc(cc1OC)-c1nc(-c2cccs2)c([nH]1)-c1cccs1
41017 Oc1ccc2ccccc2c1C=Nc1ccc(cc1)N1CCOCC1 |w:12.14|
41018 CCOC(=O)CNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C
41019 C(N1CCOCC1)c1ccc2ccc3cccc4ccc1c2c34
41020 Cc1ccc(OC(=O)c2ccccc2P(O)(O)=O)cc1
41021 COc1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:8.8|
41022 CN1C(=O)\C(=C\c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2ccccc12
41023 COC(=O)c1ccccc1NC(=O)c1c(Br)cnn1C
41024 OP(O)(=O)c1ccccc1C(=O)Oc1ccccc1Cl
41025 CC(C)(C)C(=O)Nc1nc-2c(COc3ccccc-23)s1
41026 CC1CCN(CC1)c1ncnc2nc[nH]c12
41027 CCN(CC)C(=O)CSc1nc(N)c2c3CCC(C)Cc3sc2n1
41028 CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
41029 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)c1sc2nc3CCN(C)Cc3cc2c1N |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
41030 COc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12
41031 Cc1nn2C(C3C(=O)CCCC3=Nc2c1-c1ccccc1)c1ccccc1 |c:12|
41032 C=CCn1c(SCC(=O)N2CCCC2)nc2scc(-c3cccs3)c2c1=O
41033 CCN(CC)S(=O)(=O)c1cc(ccc1NNC(=O)Nc1ccccc1)[N+]([O-])=O
41034 Clc1ccc(c(Cl)c1Cl)-c1cc(C(=O)OCC(=O)N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1
41035 OP(=O)(c1nc2ccccc2n1CC=C)c1ccccc1
41036 Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:12.13,t:10|
41037 O=C(CSc1ccc2-c3ccccc3C(=O)c3cccc1c23)Nc1cccc(c1)C#N
41038 Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:11.12,t:9|
41039 COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1ccc(OC)c(OC)c1
41040 COc1cccc(c1)\N=c1/oc2ccc(OC)cc2cc1-c1nc2ccccc2[nH]1
41041 NNC(=O)C(=NNc1c(Cl)cccc1Cl)C#N |w:5.5|
41042 Cc1ccc(cc1)-c1cc(nc2ncnc(N)c12)-c1ccc(F)cc1
41043 Cc1ccc(cc1C)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12
41044 Clc1ccc2nc(N=NCc3ccccc3C#N)nc(-c3ccccc3)c2c1 |w:7.6|
41045 Clc1ccc(CSc2nc(ccc2C#N)-c2cccnc2)c(Cl)c1
41046 COc1ccc(cc1OC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
41047 Nc1ncnc2nc(cc(-c3ccc(F)cc3)c12)-c1ccccc1
41048 COc1cccc(Cn2cc(O)c(c2N)-c2nc(cs2)-c2ccc(Cl)cc2)c1
41049 O=C(NN=Cc1ccc2ccccc2c1)c1ccc(COc2ccc3CCCc3c2)o1 |w:3.2|
41050 CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1 |w:14.15,t:8|
41051 Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
41052 COc1ccc(cc1Cl)-n1nc(C(=O)NCC(=O)Nc2ccccn2)c2ccccc2c1=O
41053 N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc21
41054 N#Cc1cnn2c1nc(N1CCOCC1)c1ccccc21
41055 Clc1ccc2[nH]cc(-c3nnnn3-c3ccccc3)c2c1
41056 Clc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
41057 [O-][N+](=O)c1ccc(N2CCCCCC2)c([CH+][N-]NC(=O)Cn2c3ccccc3c(=O)c3ccccc23)c1
41058 Cc1n[nH]c(C)c1N=Nc1cc(Cl)ccc1Cl |w:8.9|
41059 CCOc1cc(\C=C2\NC(=S)NC2=O)ccc1OCc1ccc(cc1)[N+]([O-])=O
41060 O=C1CCCC2=C1C(Nc1ccc3ncccc3c21)c1cccs1 |c:5|
41061 O=C(CSc1nc(nc2ccccc12)C1CC1)NCc1ccc2OCOc2c1
41062 CC(C)c1nc(SCC(=O)Nc2nnc(C)s2)c2ccccc2n1
41063 O=C(CSc1nc(nc2ccccc12)C1CC1)Nc1ccc2OCCOc2c1
41064 CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1
41065 O=C(CSc1nc(nc2ccccc12)C1CC1)N1CCc2ccccc2C1
41066 Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:21|
41067 CCOc1ccc2nc(NC3=NC(CC(=O)N3)c3ccc(OC)cc3)nc(C)c2c1 |t:10|
41068 COc1ccc2nc(C)cc(SCC(=O)NN=Cc3cccc4ccccc34)c2c1 |w:16.15|
41069 Clc1c(sc2ccccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
41070 O=C(COc1ccccc1)Nc1sc2CCCCc2c1C(=O)NCc1cccnc1
41071 Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
41072 [O-][N+](=O)c1cccc(C=Cc2nc3ccc(cc3[nH]2)[N+]([O-])=O)c1 |w:9.9|
41073 Fc1cccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1 |w:7.7|
41074 Cc1ccsc1C1Nc2ccc3ncccc3c2C2=C1C(=O)CC(C)(C)C2 |c:21|
41075 CCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
41076 Cc1ccc(cc1)C(=O)NNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21
41077 Cc1cc2cc3c(N)[nH]nc3nc2cc1C
41078 CCc1ccc2nc3n[nH]c(N)c3cc2c1
41079 O=C1Nc2ccccc2C1=Cc1cnc[nH]1 |w:10.12|
41080 CN(C)c1cc(N(C)C)c2C(=O)c3ccccc3C(=O)c2c1
41081 Clc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)Nc1ccccc1C(=O)NCC=C
41082 COc1ccc(cc1COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12)[N+]([O-])=O
41083 COC(=O)c1cc(Cl)c(NC(=O)\C=C\c2ccc(Cl)cc2)cc1OC
41084 O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O
41085 CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(cc1)N1CCOCC1
41086 Clc1cc(NC(=O)c2cccnc2)ccc1-c1cc2ccccc2oc1=O
41087 CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)[N+]([O-])=O)cc1
41088 COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O
41089 CCOC(=O)C1=C(OC(=N)C(C#N)C1c1cccs1)c1ccccc1 |t:5|
41090 Cc1cc(OCC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccco2)cc(C)c1Cl
41091 [O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2cccs2)cc1
41092 COc1ccc(cc1F)-c1coc2cc3oc(=O)cc(C)c3cc12
41093 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
41094 Cn1c(SCC(=O)c2ccc-3c(Cc4ccccc-34)c2)nnc1-c1ccccc1
41095 COC(=O)c1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4[nH]3)cc2OC)o1
41096 Nc1nonc1C(=O)OCC(=O)N1CCOCC1
41097 COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1cccnc1)c1cccc(OC)c1
41098 CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(Cl)c1Cl)C(=O)OC |c:5,t:8|
41099 COC(=O)Sc1nc(N2CCOCC2)c2COC(C)(C)Cc2c1C#N
41100 CCOC(=O)C(N(C#N)c1nc(SC)nc(n1)N(C)C)C(=O)OCC
41101 CCC(=O)Oc1oc(nc1\C=N\c1ccccc1OC)-c1ccccc1
41102 CCOC(=O)CNS(=O)(=O)c1cc(ccc1C)-c1n[nH]c(=O)c2ccccc12
41103 CCCCc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(CC)c4ccccc34)c12
41104 COc1ccc2nc(CC(C)(C)CC(O)=O)c[n+]([O-])c2c1
41105 Nc1nonc1C(=O)NCCNCc1ccccc1OCc1ccccc1F
41106 O=C(Nc1sccc1C#N)c1cnccn1
41107 Nc1nonc1-c1noc(n1)-c1ccc(Br)o1
41108 CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1
41109 Cc1cccc(N2CCN(CC2)C(=O)C2CCN(CC2)S(=O)(=O)c2c[nH]cn2)c1C
41110 COc1ccc2nc(N=CN(C)C)sc2c1 |w:8.7|
41111 OC(=O)c1ccccc1C(=O)NCc1ccc(F)cc1
41112 COc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)n[nH]c1C
41113 CC(=N)NS(=O)(=O)c1ccc(Cl)cc1
41114 CSc1nc(cc(-c2cccs2)c1C#N)C1CC1
41115 O=C(Nc1ccc(Nc2ccccc2)cc1)C1CC1
41116 COc1ccccc1NC(=O)CCC(O)=O
41117 COc1ccccc1OCC(=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
41118 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccc2OCOc2c1
41119 Cc1nnc2ccc(nn12)N1CCN(CC1)c1ccccn1
41120 Brc1cncc(c1)C(=O)N1CCN(CC1)c1ccc(nn1)N1CCOCC1
41121 COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(C)c(C)c2)C1
41122 Fc1ccc(CNC(=O)C2CCC(=O)N2CCc2ccccc2)cc1
41123 CN(C(=O)C1CCOC1)c1nnc(s1)-c1cccnc1
41124 CC(=O)Nc1c(oc2ccccc12)C(=O)c1ccccc1
41125 [H]C12CC([H])(C=C1)C1C2C(=O)N(C(Cc2ccccc2)C(=O)NCc2ccco2)C1=O |c:5,TLB:29:7:2:5.6,THB:9:8:2:5.6|
41126 Cc1c(CN2CCOCC2)c(O)n(CC=C)c(=O)c1C#N
41127 CCOC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccco1
41128 CCSc1nc2ccccc2n1CC(=O)N1CCCCC1
41129 CCC(C(O)=O)n1nnc(n1)-c1ccc(cc1)-c1ccc(OC)cc1
41130 COc1cccc(c1)N=C1NCC(=O)N1Cc1cccs1 |w:8.8|
41131 Cc1ccc2nc([nH]c2c1)C(O)C(O)c1nc2ccc(C)cc2[nH]1
41132 C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO |c:14,t:10|
41133 COc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1
41134 CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(C)c2n1
41135 CN(C)CCNc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc1ccc(Cl)cc1
41136 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccc(C)s1
41137 CC(=O)Nc1nc2N=C(CC(c3ccc(F)cc3)n2n1)c1ccccc1 |c:7|
41138 COc1ccc(OC)c(c1)C1C(C#N)C(=N)Oc2cc(C)n(Cc3ccccn3)c(=O)c12
41139 Cc1ccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1
41140 COc1ccc(Cl)c(Cn2c(NCCCO)nc3n(C)c(=O)n(C)c(=O)c23)c1
41141 CCc1ccccc1NC(=O)CSc1nnc(o1)[C@@H](N)Cc1c[nH]c2ccccc12
41142 Cc1cccc(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c1C
41143 CCN(CC)C(=O)CSc1nnc(o1)[C@@H](N)Cc1ccccc1
41144 CC(C)C[C@H](N)c1nnc(o1)S(=O)(=O)Cc1cccc(F)c1
41145 CSc1nc(N2CCN(CCO)CC2)c2sc3nc(c4CCCc4c3c2n1)-c1ccco1
41146 Cc1nn2c(SCC#N)cc(C)nc2c1-c1ccccc1
41147 Cn1cccc1CNCCc1ccccc1F
41148 CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(c1)C(O)=O
41149 CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
41150 O=C(CCCc1cccs1)Nc1nc2CCCCc2s1
41151 Fc1ccccc1S(=O)(=O)N(Cc1ccco1)Cc1nnc(o1)-c1ccccc1Br
41152 CC(N(C)C)c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccc(Cl)cc1
41153 Cc1cc(C)n(CCC(=O)Nc2cccc(C)c2)n1
41154 Brc1ccc(cc1)S(=O)(=O)N1CCCN(CC(=O)Nc2ccc3OCOc3c2)CC1
41155 COc1ccccc1-c1cc(nc(n1)N1CCN(CC1)c1ccccc1)C(F)(F)F
41156 COc1ccc(cc1)N1CCN(CCNC(=O)CCN2C(=O)COc3ccccc23)CC1
41157 CCOC(=O)c1sc(=S)n(c1N)-c1cc(F)ccc1F |(7.12,6.15,;7.74,4.74,;6.84,3.49,;7.47,2.09,;9,1.93,;6.56,.84,;5.02,.84,;4.54,-.62,;3.08,-1.1,;5.79,-1.53,;7.04,-.62,;8.5,-1.1,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;8.46,-6.15,;5.79,-6.15,;4.46,-5.38,;4.46,-3.84,;3.12,-3.07,)|
41158 Cc1ccc(C=Nc2sc3CCCc3c2C#N)s1 |w:6.6|
41159 Clc1ccc(cc1)-c1ccc(=O)n(CCC(=O)NCCCN2CCCCCC2)n1
41160 O=C(CSc1nc2ccccc2[nH]1)NCCN1CCCCC1
41161 CNC(CC(=C)C=C)c1ccccc1
41162 COc1ccc(cc1)C1C(C(=O)NCc2ccccn2)c2cc(OC)c(OC)cc2C(=O)N1C
41163 COC(=O)c1ccc2SC(N3CCCC3)C(=O)Nc2c1
41164 COc1ccc(cc1)S(=O)(=O)NC(CC(=O)N1CCc2ccccc12)c1ccco1
41165 Cc1nc2ccc(cc2s1)S(=O)(=O)NCC(=O)NCCN1CCCCCC1
41166 CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc2sccc2n1Cc1ccc(F)cc1
41167 N#Cc1nc(nc(n1)N1CCOCC1)N1CCOCC1
41168 O=C(C1CCN(CC1)c1nnc(s1)N1CCCC1=O)N1CCN(Cc2ccc3OCOc3c2)CC1
41169 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)NCCN1CCCCCC1
41170 Clc1ccc(cc1)C(N1CCN(CC1)C(=O)c1ccco1)C(=O)Nc1ccc2OCOc2c1
41171 OC1(Cc2ccccc2)N(C2CCCCC2)C(=O)c2ccccc12
41172 COc1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1
41173 CCOc1ccc(NC2=NC(CC(=O)N2)C(=O)NCc2ccccc2)cc1 |t:8|
41174 COC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
41175 O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCCCC1
41176 COc1ccccc1S(=O)(=O)Cc1ccc(o1)C(=O)NCCN1CCCCCC1
41177 CCOC(=O)N1CCN(CC1)c1c(N2CCN(CC2)c2ccccn2)c(=O)c1=O
41178 COc1ccc(cc1)N1CCN(CCCNS(=O)(=O)c2c(C)noc2\C=C\N(C)C)CC1
41179 O=C(NCCCN1CCc2ccccc2C1)C1CCN(CC1)c1nnc(s1)-n1cccc1
41180 CCOC(=O)N1CCC(CC1)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
41181 COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCc1ccccc1Cl
41182 O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCN(Cc2ccc3OCOc3c2)CC1
41183 CC1CCC(CC1)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1cccnc1 |(3.08,-1.16,;4.41,-.39,;5.75,-1.16,;7.08,-.39,;7.08,1.16,;5.75,1.93,;4.41,1.16,;8.41,1.93,;9.75,1.16,;9.75,-.39,;11.08,1.93,;12.42,1.16,;12.42,-.39,;11.08,-1.16,;11.08,-2.7,;12.42,-3.47,;12.42,-5.01,;13.75,-2.7,;13.75,-1.16,;13.75,1.93,;12.98,3.26,;14.52,.59,;15.08,2.7,;16.42,1.93,;17.75,2.7,;17.75,4.24,;16.42,5.01,;15.08,4.24,)|
41184 CC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(O)=O
41185 CCOc1ccc(cc1)C1CC(=O)NC(SCC=C)=C1C#N |c:19|
41186 C(Nc1ncnc2nc[nH]c12)C1COc2ccccc2O1
41187 CC(=O)CCc1c(C)c2cccc(C)c2[nH]c1=O
41188 COc1ccc(cc1)-n1c2nncn2c2sc3CC(C)CCc3c2c1=O
41189 CCOc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
41190 Clc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)-c1ccccc1
41191 CC(=O)Nc1sc2CCCCCc2c1C#N
41192 Clc1ccc(NCc2nnc(SCC(=O)Nc3nc4CCCCc4s3)o2)cc1
41193 Cc1cc(O)c2[n+](Cc3ccccc3Cl)ncn2n1
41194 Cn1ncc2c(Nc3ccc4ccccc4c3)ncnc12
41195 Cc1c(oc2ccccc12)C(=O)OCCN1CCCCC1
41196 CCCCOc1ccc(NC(=O)CSCC(=O)OCC)cc1
41197 CCOc1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2NC(=O)C2CC2)cc1
41198 Cc1ccc(cc1)-n1c(CNc2ccc(F)cc2)nnc1SCC(=O)N1CCCC1
41199 COCCN1C(C(C(C)=O)C(=O)C1=O)c1ccc(OC)c(OC)c1
41200 Cc1cc(O)c2[n+](Cc3ccc(Cl)cc3)ncn2n1
41201 CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(OC)cc2)cc1
41202 COc1ccc(cc1)-n1c(COc2cccc(C)c2)nnc1SCC(=O)NCc1ccco1
41203 CCCn1c(SCC(=O)Nc2nc3CCCCc3s2)nc2n(C)c(=O)n(C)c(=O)c12
41204 CCCCn1c(SCC(=O)Nc2nnc(C)s2)nc2n(C)c(=O)n(C)c(=O)c12
41205 c1ccc(nc1)-c1nnc(nn1)-c1ccccn1
41206 CCOC(C(=O)OCC(O)CN(CC)CC)(c1ccccc1)c1ccccc1
41207 O=C(NCc1nc2ccccc2[nH]1)c1ccco1
41208 COc1ccc(Cc2c(O)nc(SC)n(C(C)=O)c2=O)cc1
41209 Cc1cccc(NC(=O)c2cc(nc3ccccc23)N2CCOCC2)c1
41210 CC(C)(C)c1ccc(O)c(N)c1
41211 CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)COC
41212 CC(=Nn1cnnc1)c1cccnc1 |w:2.2|
41213 C=CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1
41214 CC1CN(CC(C)O1)C1CCN(CC1)S(=O)(=O)c1ccccc1
41215 Cc1cc(OCCN2CCOCC2)nc2ccccc12
41216 CCOc1ccc(cc1)-n1c2nc3ccccc3nc2c2c1ncn(Cc1ccco1)c2=O
41217 CC(=O)C(C#N)=C1NC(=O)C(Cc2ccccc2Cl)S1 |w:6.20|
41218 Clc1ccc(cc1)C(=O)CSc1nc(ccc1C#N)-c1ccco1
41219 O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1
41220 CCCCN1C(=O)NC(=O)C(=C(CC)NCCCN(C)C)C1=O |w:11.13|
41221 CCC(C)c1ccc(O)c(N)c1
41222 Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1
41223 Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@H]2[C@@H]([C@@H]3CCCN13)C(=O)N(Cc1ccccc1)C2=O
41224 CN1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1
41225 CCCCc1c(O)nc([nH]c1=O)N1CCN(Cc2ccccc2)CC1
41226 CCn1c(SCC(=O)NC(=O)Nc2ccc3OCCOc3c2)nnc1-c1cccs1
41227 CCOC(=O)C1=C(OC(=N)C(C#N)C1C(C)C)c1ccccc1 |t:5|
41228 c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
41229 Fc1ccccc1S(=O)(=O)N1CCCC1C(=O)NCc1cccs1
41230 CCCC1(CCC)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O
41231 Cc1ccc(NC(=O)Cn2cnc3n(ncc3c2=O)C(C)(C)C)cc1
41232 O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1
41233 Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1
41234 Cc1csc2ncc(C(=O)Nc3ccon3)c(=O)n12
41235 Clc1cccc(c1)N1CCN(CC1)C(=O)CCCNS(=O)(=O)c1cccs1
41236 CC(=O)NC1(C(=O)NC(C)=C1C#N)C(F)(F)F |c:9|
41237 CCC(C)(NC(=O)c1ccccn1)C(=O)NC1CCCCC1
41238 CC(C)(C)n1ncc2c1ncn(CC(=O)Nc1ccccc1)c2=O
41239 CC(C)(C)OC(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(O)=O
41240 FC(F)(F)c1cccc(c1)C(=O)NCc1cn2ccsc2n1
41241 Brc1ccc(cc1)-c1nnc(SCC#CCOC(=O)c2ccco2)o1
41242 COc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1
41243 Cc1ccc(C)c(c1)-n1c(N)c(sc1=S)C(N)=O |(8.46,-5.21,;7.12,-4.44,;5.79,-5.21,;4.46,-4.44,;4.46,-2.9,;3.12,-2.13,;5.79,-2.13,;7.12,-2.9,;5.79,-.59,;7.04,.32,;8.5,-.16,;6.56,1.78,;5.02,1.78,;4.54,.32,;3.08,-.16,;7.47,3.03,;6.84,4.44,;9,2.87,)|
41244 CN(C1CC(C)(C)N(O)C(C)(C)C1)C(=O)c1ccncc1
41245 CC(NS(=O)(=O)c1ccc(F)cc1)C(N1CCN(C)CC1)c1cccs1
41246 Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc12
41247 CC(C)Oc1ccc(cc1)C1CC(=O)NC2=C1C(=O)CCC2 |c:16|
41248 CC(NC(=O)c1cc2ccccc2o1)C(O)=O
41249 Fc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nsnc23)cc1
41250 CC(=O)c1cc2c(O)c(O)ccc2o1
41251 OCC#CCSc1nnc(o1)-c1ccc(Br)cc1
41252 CCNC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(cc1)C(=O)OCC
41253 CCc1cc2c(SCC(=O)c3cccs3)ncnc2s1
41255 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c2ccccc12
41256 CC(=O)N(c1ccc(cc1)N(C(C)=O)S(=O)(=O)c1cccs1)S(=O)(=O)c1cccs1
41257 COc1ccc(OC)c(NC(=O)COc2ccc(cc2)S(=O)(=O)NC(C)C)c1
41258 O=C(Nc1ccon1)c1cc(nc2ccccc12)-c1ccccc1
41259 Cc1cc2c(nc(SCC(=O)c3cc4ccccc4o3)n(C)c2=O)s1
41260 CC(C)N(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
41261 CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
41262 Cc1cc(C)c(c(C)c1-n1ncnn1)S(=O)(=O)N1CCCCC1
41263 O=C(NCc1cccs1)C(Cc1ccccc1)n1cccc1
41264 Cc1ccc(Cn2c3ccccc3c3cn[nH]c(=O)c23)cc1
41265 Cc1nc2nc(C)cc(Nc3ccc(F)cc3)n2n1
41266 CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccccc2C)c1C
41267 CCCN(CCC)CCCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
41268 CCOCCn1c(CN2CCN(CC)CC2)nc2n(C)c(=O)n(C)c(=O)c12
41269 COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(F)cc1 |c:6|
41270 Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(Cl)c1O
41271 COc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1
41272 Cc1c(C)c(NS(=O)(=O)c2ccccc2)cc(Cl)c1O
41273 COc1nc(Nc2ccc(cc2)C(C)=O)nc(OC)n1
41274 CC(C)CCOC(=O)c1ccc(NC(C)=O)cc1
41275 ON1C(=O)C2(CCCCC2)C(N=O)C11CCCC=C1 |c:19|
41276 CCc1ccc(O)c(c1)N=Cc1ccccc1O |w:9.9|
41277 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCCN1CCOCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
41278 CC(=O)C1Sc2ccc(cc2N=C1C)C(F)(F)F |c:12|
41279 Cc1nc2sc3CCCCc3c2c2nnc(SCC(=O)NCc3ccco3)n12
41280 O=c1cc(CSc2ccccn2)[nH]c(=O)[nH]1
41281 OC(=O)c1ccc2nc([nH]c2c1)C(F)(F)F
41282 CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(CCc3ccccc3)C2C1 |c:5|
41283 C(c1ccccc1)n1nnnc1C(N1CCOCC1)c1cccs1
41284 COc1ccc(CN2CCN(CC2)C(=O)c2ccco2)cc1
41285 COc1cccc(c1)-c1noc(n1)C1CCCN(C1)C(=O)Cc1ccccc1
41286 CC(C)C(N1CCCc2ccccc12)c1nnnn1C1CCCC1
41287 COC(=O)c1c(C(=O)OC)c2cc(C)ccc2n1CCCN
41288 Cc1cccc(OCC(=O)Nc2cc(C)c(C)cc2O)c1
41289 COc1ccc(OC)c(c1)\N=c1/oc2c(OC)cccc2cc1C(=O)NCc1ccco1
41290 COc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCC2(CCCCC2)C1
41291 Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NC1=NCCS1 |t:21|
41292 O=C(Nc1ccc(cc1)-n1cnnn1)C1CCCN1C(=O)NC1CCCCC1
41293 COc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(c(OC)c1)-n1cnnn1
41294 CC1(C)Cc2ccccc2-c2nc(SCC#N)n(CC=C)c(=O)c12
41295 CCN1CCc2c(C1)c(NCc1ccccc1)nc(N1CCCCC1)c2C#N
41296 O=c1oc2ccccc2n1CCCCCn1c2ccccc2oc1=O
41297 COC(=O)c1cc(Br)c(=O)n(CCc2ccc(F)cc2)c1
41298 COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CN1CCN(Cc2ccccc2)CC1
41299 O=C(CC(c1ccco1)c1ccccc1)N1CCOCC1
41300 Oc1ccc(cc1)C(=C)c1ccc(O)cc1
41301 Cc1nc2ccc(F)cc2c(O)c1SC(F)(F)C(F)C(F)(F)F
41302 Clc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1
41303 NC(=O)C1CCN(CC1)c1nc(nc2c3ccccc3oc12)-c1ccccc1
41304 CCC1(C)Cc2nc3sc(C(O)=O)c(N)c3cc2CO1
41305 COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCCc2ccccc12
41306 CC1CCCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c12
41307 Clc1ccc(SCc2cc(=O)[nH]c(n2)N2CCOCC2)cc1
41308 CC(=O)c1c(O)n(-c2ccccc2)c(=S)n(C)c1=O
41309 Cc1nnc(SCCCn2c(nc3n(C)c(=O)[nH]c(=O)c23)N2CCCCC2)s1
41310 CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc3N(CC)C(=O)c4cccc2c34)n1
41311 CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(o2)-c2ccccc2)c1C
41312 CCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1
41313 COc1ccccc1NC1=NC(N=C(N)N1)c1ccc(Cl)cc1 |t:10,13|
41314 Fc1ccccc1COC(=O)c1ccc2OCCOc2c1
41315 N#CCSc1ncnc2sc3CCCc3c12
41316 Cc1cc(C(=O)COc2cccc3cccnc23)c(C)n1C
41317 COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl
41318 Cc1ccc(CN2C(=O)CSc3ccc(cc23)C(=O)NCCN2CCOCC2)cc1
41319 CCc1c([nH]c(C)c1C(C)=O)C(=O)NCCc1ccc(OC)c(OC)c1
41320 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O
41321 COc1ccc(c(OC)c1)-n1c(=O)[nH]c2ccccc2c1=O |(3.08,-3.94,;3.08,-2.4,;4.41,-1.63,;5.75,-2.4,;7.08,-1.63,;7.08,-.09,;5.75,.68,;5.75,2.22,;4.41,2.99,;4.41,-.09,;8.41,.68,;8.41,2.22,;7.08,2.99,;9.75,2.99,;11.08,2.22,;12.46,3.04,;13.85,2.25,;13.85,.65,;12.46,-.15,;11.08,.68,;9.75,-.09,;9.75,-1.63,)|
41322 Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1ccccc1
41323 Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)NCCN1CCc2ccccc2C1
41324 CCOc1cc(C=Nn2cnnc2)c(Br)cc1O |w:7.7|
41325 COc1ccc(cc1)S(=O)(=O)NC(CC(=O)N1CCC2(CC1)OCCO2)c1ccco1
41326 COC(=O)c1ccc(COc2ccc(cc2)-c2nnn[nH]2)cc1
41327 CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC3(CC2)OCCO3)c1C
41328 CCCC(=O)c1cc2ccccc2oc1=O
41329 CCCCN(CCCNC(=O)CN1C(=O)COc2ccccc12)c1ccccc1
41330 Cc1cc(=O)[nH]c2cc(Cl)ccc12
41331 CCCN(CCC)CCNC(=O)C(NS(=O)(=O)c1ccc2NC(=O)CCc2c1)c1ccccc1
41332 CCCC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1OC
41333 OC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F
41334 CCOc1ccccc1C(=O)NC(C)c1ccc2OCOc2c1
41335 Fc1ccc(cc1)C(CCN1C(=O)c2ccccc2C1=O)c1ccco1
41336 CC(C)(O)C#Cc1ccc(s1)C(=O)N1CCCC1C(O)=O
41337 CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1CCc1ccccc1
41338 S=c1[nH]nc(-c2cccnc2)n1Cc1ccccc1
41339 CCOC(=O)COc1ccc(cc1)S(=O)(=O)Nc1ccc2OCOc2c1
41340 CN1CCc2c(C1=O)n(CC(O)Cn1nc(C)c(Br)c1C)c1ccccc21
41341 N#C\C(Sc1nc2ccccc2s1)=C/c1ccco1
41342 COC(=O)Cn1c2ccccc2c2nc(C)sc12
41343 O=C(N1CCN(CC1)c1ccccn1)c1ccccc1CCc1ccccc1
41344 Brc1ccccc1CNC(=O)c1ccco1
41345 COc1ccc(cc1)S(=O)(=O)Nc1ccc(CC#N)cc1
41346 CC1CN(CC(C)O1)c1oc(COc2ccc(Cl)cc2Cl)nc1C#N
41347 O=C(COc1cccc(NC(=O)C2CCCCC2)c1)N1CCOCC1
41348 CCOC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(Cl)cc1
41349 CC(C)(C)C(=O)OCC1OC(C(O)C1O)n1cnc(n1)C(N)=O
41350 O=C(c1ccccc1)c1ccc(cc1)N1CCNCC1
41351 CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nccs1
41352 COC(=O)c1cc(C)sc1NC(=O)CCCC(O)=O
41353 CCCc1cc(cs1)C(=O)Nc1nnc(C)s1
41354 O=C(NCc1ccco1)c1cccc(c1)-c1nnc(o1)-c1ccccc1
41355 OC(=O)CC12CSc3[nH]c(=O)sc3C1c1ccccc1OC2=O
41356 COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1
41357 CCN(CC)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
41358 Brc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCOCC1
41359 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1ccccc1F
41360 CCCN(CCC)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
41361 CCCCN(CC)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
41362 CCOCCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
41363 CC1=Nc2nc(CCCO)nn2C(C1C(=O)Nc1ccc(F)cc1)c1cccc(C)c1 |t:1|
41364 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCCCCC1
41365 CN(C)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
41366 CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2OCCOc2c1
41367 COCCCN(C(C)c1ccccn1)C(=O)Nc1ccc(C)c(C)c1
41368 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCN(Cc2ccccc2)CC1
41369 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCN(CC1)c1ccccc1F
41370 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)N1CCN(Cc2ccccc2)CC1
41371 CN(CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O)Cc1ccccc1
41372 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCOCC1
41373 CN(C)S(=O)(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1
41374 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCOCC1
41375 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCN1CCc2ccccc2C1
41376 Cc1nc(SCC(=O)NCc2ccccc2)c2c(n1)n(C)c(=O)n(C)c2=O
41377 C(CC1=CCCCC1)Nc1ncnc2nc[nH]c12 |t:2|
41378 [O-][n+]1n(nc2c1ccc1nonc21)-c1ccccc1Cl
41379 N=C1Oc2c(sc3ccccc23)C(C1C#N)c1ccco1
41380 Cc1ccc(o1)-c1ccccc1NC(=O)c1cnc(C)cn1
41381 COC(=O)c1ccccc1NC(=O)c1cc2sccc2n1C
41382 Nc1nncn1C(=O)c1cccs1
41383 CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1c(F)cccc1Cl
41384 CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
41385 CC(C)C(CC(=O)N1CCCCC1)C1CCOC(C)(C)C1
41386 COc1ccccc1-c1c(C#N)c(SCC(=O)N2CCCC2)nc(C)c1C(N)=O |(11.91,4.65,;10.58,3.88,;9.24,4.65,;9.24,6.19,;7.91,6.96,;6.57,6.19,;6.57,4.65,;7.91,3.88,;7.91,2.34,;9.24,1.57,;10.58,2.34,;11.91,3.11,;9.24,.03,;10.58,-.74,;10.58,-2.28,;11.91,-3.05,;13.24,-2.28,;11.91,-4.59,;13.16,-5.5,;12.68,-6.96,;11.14,-6.96,;10.66,-5.5,;7.91,-.74,;6.57,.03,;5.24,-.74,;6.57,1.57,;5.24,2.34,;3.91,1.57,;5.24,3.88,)|
41387 Cn1cnnc1SCc1ccc(cc1)C(=O)n1ncc(C#N)c1N
41388 COc1ccc(cc1)C(=O)n1cnc(N)n1
41389 O=C(N1CCOCC1)c1noc-2c1CCc1ccccc-21
41390 O=c1oc(nc2ccccc12)-c1cccc(c1)S(=O)(=O)N1CCOCC1
41391 COc1ccc(cc1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C
41392 COc1ccccc1-c1cc(no1)C(=O)Nc1cccnc1
41393 O=C(NCCN1CCOCC1)c1noc-2c1CCc1ccccc-21
41394 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C
41395 COc1cc(NC(=O)c2csc3CCCCc23)ncn1
41396 O=C(NCc1cccs1)c1cc(on1)-c1cccs1
41397 COc1ccc2-c3onc(C(=O)N4CCc5ccccc5C4)c3CCc2c1
41398 COc1ccc2-c3onc(C(=O)NCCCn4ccnc4)c3CCc2c1
41399 COc1ccc(cc1OC)-c1cc(no1)C(=O)NCc1ccc(Cl)cc1
41400 O=C(N1CCCc2ccccc12)c1noc-2c1CCc1ccccc-21
41401 COCCNC(=O)c1noc-2c1CCc1cc(OC)ccc-21
41402 O=C(N1CCc2ccccc2C1)c1noc-2c1CCc1ccccc-21
41403 COc1ccc2-c3onc(C(=O)NCc4ccco4)c3CCc2c1
41404 COc1ccccc1-c1cc(no1)C(=O)NCc1ccc(Cl)cc1
41405 COc1ccc2-c3onc(C(=O)NCCN4CCOCC4)c3CCc2c1
41406 COc1ccc2-c3onc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3CCc2c1
41407 COc1cccc(c1)-c1cc(no1)C(=O)NCCc1ccccc1
41408 CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1
41409 COc1ccccc1-c1cc(no1)C(=O)NCc1ccccc1
41410 COc1ccccc1-c1cc(no1)C(=O)NC(C)c1ccccc1
41411 Cc1cccc(c1)-n1nnc(C(=O)Nc2ccc(F)cc2)c1N
41412 Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(on1)-c1ccc2OCOc2c1
41413 COc1cc2nc(oc(=O)c2cc1OC)-c1cccs1
41414 Cc1ccsc1C=c1sc2ncnn2c1=O
41415 O=c1[nH]c(CN2CCc3ccccc3C2)nc2ccccc12
41416 Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21
41417 Cc1cc(NC(=O)c2noc-3c2CCc2ccccc-32)n(n1)-c1ccccc1
41418 CCN1C(=O)c2ccc(cc2C1=O)-c1nc2ccccc2c(=O)o1
41419 Cc1cc(NC(=O)c2noc-3c2CCc2ccccc-32)no1
41420 CCCNC(=O)c1noc-2c1CCc1ccccc-21
41421 O=C(CCSc1nccn1Cc1ccccc1)N1CCOCC1
41422 COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(F)cc1
41423 O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2OCOc2c1
41424 CC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
41425 Cc1ccc(cc1)-c1ccc([nH]1)C(O)=O
41426 Nc1sc(=N)n(CC=C)c1C#N
41427 O=C1CCCc2c1[nH]c1ccccc21
41428 Cc1cccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1
41429 COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CC3CCCO3)Cc3ccccc3)cc2c1
41430 CC(C)CCn1c(SCCN2CCOCC2)nc2n(C)c(=O)[nH]c(=O)c12
41431 Cc1ccc(Cn2c(SCCN3CCCCC3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
41432 CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12
41433 CCOC(=O)C1CCN(C1=O)S(=O)(=O)Cc1ccccc1
41434 CCC(C)(C)NC(=O)C(N(C(=O)c1csnn1)c1cccc(F)c1)c1ccco1
41435 CN(C)c1nc2OCCn2c(=O)n1
41436 O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NC1CCCC1
41437 O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
41438 Cn1c2nc(NCCc3ccccc3)n(CC=C)c2c(=O)n(C)c1=O
41439 CCC1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCCC2CC)c1
41440 CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1
41441 Cc1onc(c1C(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1)-c1ccccc1 |t:21|
41442 CCCn1c(NC(=O)C2COc3ccccc3O2)nc2ccccc12
41443 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
41444 Brc1ccccc1-c1nnc(CN2c3cccc4cccc(c34)S2(=O)=O)o1
41445 COC(=O)c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1
41446 CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
41447 Cc1cc(C)n2nc(SC3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1
41448 CCOC(=O)C1=C(N2C=CS(=O)(=O)NC2S1)c1ccccc1 |c:8,t:5|
41449 CSc1cccc(c1)-n1c(C)cc(C(N)=O)c1C
41450 CC1CCN(CC1)S(=O)(=O)c1cc(Br)cc(c1)C(=O)NC1=NCCS1 |t:22|
41451 O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
41452 Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1
41453 Clc1ccccc1OCc1ccc(o1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
41454 CCOC(=O)N1CCC(CC1)n1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O |t:21|
41455 Cc1ccc(cc1)-n1ncc2c1ncn(CC(=O)N1CCCCCC1)c2=O
41456 null
41457 CN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12
41458 CCOC(=O)c1c(C)oc2c1c1CN(Cc3cccnc3)COc1c1ccccc21
41459 [H]C12OC3(CN(Cc4ccccc4Cl)C(=O)C3C1C(=O)NCCCC)C=C2 |c:28|
41460 CCOC(=O)N1CCC(CC1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
41461 Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)N1CCOCC1
41462 Fc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1 |t:7,16|
41463 CN(C)c1nccc(Nc2ccccc2)c1C#N
41464 CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)c1
41465 OC(=O)c1ccc(CSc2nnc([nH]2)-c2ccco2)cc1
41466 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCCN1CCCC1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
41467 CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O
41468 Fc1ccccc1N1CCN(CC1)S(=O)(=O)N1CCOCC1
41469 Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)CN1CCCCC1
41470 O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccoc1
41471 CC(C)Cn1c(O)c(C#N)c(C)cc1=O
41472 CCOc1cccc(c1)-n1c(O)cc(=O)[nH]c1=O
41473 CCCc1nnc(SCc2ccc(o2)C(=O)OC)n1N
41474 COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
41475 CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1
41476 COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1
41477 CCOC(=O)c1oc2cccc(O)c2c1CN(Cc1ccccc1)C(C)=O
41478 [#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]\[#6]=[#6](\Cl)Cl)cc1
41479 CC(O)c1cccc(NC(=O)CCC(O)=O)c1
41480 CC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(F)c1
41481 O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccncc1
41482 COc1ccc(Cn2nnnc2C(N2CCC(C)CC2)c2cc3ccc(OC)cc3[nH]c2=O)cc1
41483 COc1ccc(cc1)C(C)NC(=O)c1ccccc1
41484 COCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1
41485 O=C(Nc1cccnc1)C1COc2ccccc2O1
41486 COc1cccc(c1)C(C#N)N1CCOCC1
41487 Nc1ccc(Sc2cc(cnc2C#N)C(F)(F)F)cc1
41488 CCOC(=O)c1sc2nc(C)c3COC(C)(C)Cc3c2c1N
41489 Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1 |c:14|
41490 Cc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)(C)C)-c1nc2cccnc2o1
41491 CN(C(=O)N1CCN(CC1)c1ccccn1)c1ccccc1
41492 OC(CC(=O)c1cccs1)(c1ccccc1)C(F)(F)F
41493 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2ccc(C)cc2)c(Cl)c1=O |THB:2:1:12:3.5.15,16:13:5:1.11.2,14:13:5:1.11.2,14:1:5:13.12.15|
41494 CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccccc1 |(3.08,-2.05,;4.62,-2.05,;4.62,-3.59,;4.62,-.51,;6.16,-2.05,;6.93,-.72,;8.47,-.72,;9.24,-2.05,;8.47,-3.38,;6.93,-3.38,;10.15,-3.3,;11.61,-2.82,;11.61,-1.28,;12.86,-.37,;10.15,-.8,;9.67,.66,;10.7,1.81,;10.22,3.27,;8.72,3.59,;7.69,2.45,;8.16,.98,)|
41495 Fc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc2OCOc2c1 |t:8|
41496 Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1
41497 Cc1cc(OC(=O)c2ccco2)c2c3CCCCc3c(=O)oc2c1
41498 CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(C)CC1
41499 OC(=O)CCC(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
41500 Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Cl)cc1
41501 Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
41502 COc1ccccc1C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
41503 Cc1cc(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)c(C)n1Cc1ccccc1
41504 O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCC1=CCCCC1 |t:19|
41505 Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(cc1)C(F)(F)F |c:14|
41506 Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1
41507 Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
41508 O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NC1CC1
41509 O=C1N=c2ccccc2=C1NNc1nc2ccccc2s1 |c:9,t:2|
41510 CC(C)C(C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Cl)cc1
41511 Cn1cc(Cl)c(n1)C(=O)OCC(=O)Nc1ccccc1
41512 Cc1cccc2c(C(O)=O)c3CCCCCc3nc12
41513 CCOc1ccc(cc1OCC)C(CCc1ccccc1)NC(=O)c1ccccc1F
41514 CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
41515 CN1C(=O)S\C(=C\c2cccnc2)C1=O
41516 Fc1ccc(Sc2cc(Cl)c(nn2)-c2ccccc2)cc1
41517 COc1ccc(cc1OC)C(=O)NN=C1SCC(=O)N1Cc1ccc2OCOc2c1 |w:13.13|
41518 Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
41519 Cc1cc(N2CCN(CC2)c2ccccn2)n2cc(nc2n1)-c1ccccc1
41520 Clc1cccc(CN=Nc2ncnc3ccccc23)c1 |w:8.8|
41521 Oc1ccccc1C=Nn1c(n[nH]c1=S)-c1cccs1 |w:8.9|
41522 [O-][N+](=O)c1cccc(\C=C\C(=O)NCCN2CCOCC2)c1
41523 CC(C)CC(=O)NC(=S)NCCc1ccccc1
41524 OC(=O)C(\NC(=O)c1cccc2ccccc12)=C/c1ccco1
41525 [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
41526 CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1
41527 [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O
41528 Clc1ccccc1\C=C\C(=O)NCc1ccccc1
41529 Cc1ccc(cc1C)N1C2=C(C(=O)CC(C)(C)C2)C(O)(C1=O)C(F)(F)F |t:10|
41530 O=C(NNC(=O)C(=O)NC1CCCCC1)C1CCCCC1
41531 CCOC(=O)c1ccc(NC(=S)NCC(O)c2ccccc2)cc1
41532 COc1cccc(c1)-c1cc(no1)C(=O)Nc1cnn(Cc2ccccc2C)c1
41535 FC1(COc2cccc3ccc(nc23)-c2nnc3ccccn23)CCNCC1
41536 Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
41537 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;-10.65,-2.52,;3.16,-3.08,;4.7,-3.08,)|
41538 CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@@]22N=C(C)C(N)=N2)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-3.98,-.21,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;3.16,-3.08,;4.7,-3.08,)|
41539 COc1ccc(cc1)-c1cc(no1)C(=O)Nc1cnn(Cc2ccccc2C)c1
41540 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-5.32,3.64,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;3.16,-3.08,;4.7,-3.08,)|
41541 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(Cl)c2)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-5.32,-.98,;-6.65,-.21,;-6.65,1.33,;-5.32,2.1,;-5.32,3.64,;-3.98,1.33,;3.16,-3.08,;4.7,-3.08,)|
41542 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-5.32,-.98,;-6.65,-.21,;-6.65,1.33,;-5.32,2.1,;-3.98,1.33,;-5.32,3.64,;-5.32,5.18,;-5.32,6.72,;3.16,-3.08,;4.7,-3.08,)|
41543 CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-5.32,3.64,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;3.16,-3.08,;4.7,-3.08,)|
41544 Oc1cccn(CCCn2cc(nn2)-c2ccccc2)c1=S
41545 Oc1cccn(CCCCn2cc(nn2)-c2ccccc2)c1=S
41546 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2C1
41547 Oc1cccn(CCCCCn2cc(nn2)-c2ccccc2)c1=S
41548 Fc1ccc(Cn2cc(NC(=O)c3noc4ccc(cc34)-c3ccccc3)cn2)cc1
41549 Oc1cccn(CCCCCCn2cc(nn2)-c2ccccc2)c1=S
41550 CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2c1
41551 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4cccc(I)c4)c3)c2C1
41552 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4I)c3)c2C1
41553 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(I)cc4)c3)c2C1
41554 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1
41555 CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4C(F)(F)F)c3)c2C1
41556 CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4ccc(I)cc4)c3)c2c1
41557 CC(C)(C)c1ccc2onc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)c2c1
41558 Oc1cccn(CCCCCCCn2cc(nn2)-c2ccccc2)c1=S
41559 Cc1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
41560 Cc1cccc(c1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
41561 Cc1ccccc1-c1cn(CCCCCn2cccc(O)c2=S)nn1
41562 Oc1cccn(CCCCCn2cc(nn2)-c2ccc(cc2)C#N)c1=S
41563 Oc1cccn(CCCCCn2cc(nn2)-c2cccc(c2)C#N)c1=S
41564 CN(C)c1ccc(cc1)-c1cn(CCCCCn2cccc(O)c2=S)nn1
41565 Oc1cccn(CCCCCn2cc(nn2)-c2ccc(C#N)c(c2)C(F)(F)F)c1=S
41566 Oc1cccn(Cc2ccc(Cn3cc(nn3)-c3ccccc3)cc2)c1=S
41567 COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)-c1n[nH]c(=O)o1 |r|
41568 COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(C)cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(cc1C)-c1nnc(N)o1 |r|
41569 CC(C)(Cn1cc(cn1)-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1)C#N
41570 Cc1n[nH]cc1-c1nc(no1)C1(CCC1)c1ccc(nc1)-c1cnc(N)nc1
41571 Cn1cc(\C=C\c2n[nH]c3ccnc(OC4CCCCC4)c23)cn1
41572 CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCOCC4)n(c3)C(C)C)c12
41573 CN1CCc2c1cccc2-c1n[nH]c2ccnc(OC3CCOCC3)c12
41574 CNC(=O)c1cccc(c1)-c1n[nH]c2ccnc(OC3CCOCC3)c12
41575 COc1ccc(cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O)N1CCN(C)CC1
41576 NC(=O)c1nn(CCF)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
41577 CN1CCN(CC1)c1ccc(C)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C([O-])=O)c1
41578 CN(C)CCCN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
41579 COc1ccc(CO)cc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
41580 CCCCCCCCCn1c2CCCc2c(=N)c2CCCc12
41581 COc1ccccc1C(=O)Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
41582 CCOC(=O)C1C(C(C(=O)OCC)C(C)(O)CC1=O)c1ccccc1
41583 COc1ccc(OC)c(NC(=O)CSc2ncnc3n(ncc23)-c2ccccc2Cl)c1
41584 CCCCCCCCCCn1c2CCCc2c(=N)c2CCCc12
41585 CC(C)(C)C(=O)C(=C/c1cccc(c1)[N+]([O-])=O)\n1cncn1
41586 Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(C1=O)c23
41587 COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12
41588 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1cc(NC(=O)C23CC4([H])CC([H])(CC([H])(C4)C2)C3)cc(c1)C(=O)N1CCCCC1 |TLB:26:27:33:24.23.32,5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2,29:30:23:27.34.26,29:27:23:30.33.32|
41589 COc1ccc(NC(=O)C(\Cl)=C(\Cl)S(=O)(=O)Cc2ccc(C)cc2)cn1
41590 COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O
41591 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1 |w:11.11|
41592 COc1ccc(NC(=O)C(\Cl)=C(\Cl)S(=O)(=O)Cc2ccccc2)cn1
41593 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2)cn1 |w:11.11|
41594 COc1ccc(CS(=O)(=O)C(\Cl)=C(\Cl)C(=O)Nc2ccc(OC)nc2)cc1
41595 Fc1ccc(NC(=O)c2sc3cc(cnc3c2-c2cccs2)C(F)(F)F)cc1
41596 FC(F)(F)c1cc(c2ccc(nc2n1)C(C#N)c1cccc(Cl)c1)C(F)(F)F
41597 CC1=C(C)C(C=CC1=O)=NOS(=O)(=O)c1ccccc1 |w:9.10,c:1,5|
41598 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
41599 Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 |w:5.5|
41600 [O-][N+](=O)c1cccc(c1)C#CC(=O)c1ccccc1
41601 Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1cccc(C)c1)-c1ccccc1 |c:5,28|
41602 Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
41603 Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1ccc(C)cc1)-c1ccccc1 |c:5,28|
41604 Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1ccccc1)-c1ccccc1 |c:5,28|
41605 Cn1c(nc2ccccc12)-c1c(N)n(CCCc2ccccc2)c2nc3ccccc3nc12 |(8.02,4.62,;9.56,4.62,;10.46,3.38,;11.91,3.85,;11.92,5.38,;13.07,6.41,;12.75,7.91,;11.28,8.39,;10.14,7.36,;10.46,5.86,;9.98,1.92,;10.88,.68,;12.42,.68,;9.98,-.56,;10.46,-2.03,;9.43,-3.17,;9.91,-4.64,;8.88,-5.78,;7.37,-5.47,;6.34,-6.61,;6.82,-8.08,;8.33,-8.39,;9.35,-7.25,;8.52,-.09,;7.19,-.86,;5.85,-.09,;4.48,-.92,;3.08,-.13,;3.08,1.48,;4.48,2.27,;5.85,1.45,;7.19,2.22,;8.52,1.45,)|
41606 [O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3)(C(F)(F)F)C(F)(F)F)sc2c1
41607 Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
41608 Fc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
41609 Cc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
41610 Fc1ccc(cc1)-n1nnnc1-c1cnc(nc1C(F)(F)F)-c1cccs1
41611 Nc1nc(Cl)cc(n1)N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
41612 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1
41613 Cc1ccc(cc1)-c1nn(cc1C=NNC(=O)c1ccc(Br)o1)-c1ccccc1 |w:13.15|
41614 Cn1c2NC(=NC(c2c(=O)n(C)c1=O)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 |c:4|
41615 NC(=O)c1sc2cc(cnc2c1-c1cccs1)C(F)(F)F
41616 OC(=O)c1sc2cc(cnc2c1-c1cccs1)C(F)(F)F
41617 CN(C)\C=N\C(=O)c1sc2cc(cnc2c1-c1cccs1)C(F)(F)F
41618 FC(F)(F)c1cnc2c(-c3cccs3)c(sc2c1)-c1nnc[nH]1
41619 OC(=O)c1sc2cc(cnc2c1-c1ccco1)C(F)(F)F
41620 COC(=O)c1sc2cc(cnc2c1-c1cccs1)C(F)(F)F
41621 FC(F)(F)c1cnc2c(csc2c1)-c1cccs1
41622 Fc1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
41623 Cc1ncc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)cc1Cl |r,wU:7.6,wD:10.13,(10,3.85,;8.67,3.08,;7.34,3.85,;6,3.08,;6,1.54,;4.67,.77,;3.33,1.54,;2,.77,;2,-.77,;.67,-1.54,;-.67,-.77,;-.67,.77,;.67,1.54,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;-3.33,-3.85,;-8.67,-.77,;-10,-1.54,;-8.67,.77,;-10,,;7.34,.77,;8.67,1.54,;10,.77,)|
41624 COC(=O)c1sc2cc(cnc2c1-c1ccccc1)C(F)(F)F
41625 COC(=O)c1sc2cc(cnc2c1-c1ccccn1)C(F)(F)F
41626 Fc1ccc(NC(=O)c2sccc2S(=O)(=O)Cc2cccc(c2)C(F)(F)F)cc1
41627 OC(=O)c1sc2cc(cnc2c1-c1ccccn1)C(F)(F)F
41628 Cc1nc(sc1C(=O)Nc1ccc(F)cc1)-c1cccs1
41629 Fc1ccc(NC(=O)c2cccs2)cc1
41630 OC(=O)c1sc2cc(cnc2c1-c1ccccc1)C(F)(F)F
41631 COC(=O)c1sc2cc(cnc2c1-c1cccnc1)C(F)(F)F
41632 Fc1ccc(NC(=O)c2sc(nc2C(F)(F)F)-c2ccccc2)cc1
41633 OC(=O)c1sc2cc(cnc2c1-c1cccnc1)C(F)(F)F
41634 FC(F)(F)c1cnc2c(c(sc2c1)C(=O)N1CCOCC1)-c1ccccc1
41635 CN(C)\C=N\C(=O)c1sc2cc(cnc2c1-c1ccccc1)C(F)(F)F
41636 Cc1ccsc1C(=O)Nc1ccc(F)cc1
41637 CS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1
41638 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(C)c1)N2C(=O)NC1CCCCC1
41639 Cc1cc(no1)-c1nnc(SCC(=O)NC2CCCC2)o1
41640 COCCNC(=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
41641 Cc1cccc2cc(C(N3CCc4ccccc4C3)c3nnnn3CC3CCCO3)c(=O)[nH]c12
41642 Nc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1CC=C
41643 CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1
41644 O=C(CCC(=O)N1CCc2ccccc12)Nc1ccccc1
41645 COc1ccc(Cn2c(nc3oc4cc(OC)ccc4c(=O)c3c2=O)-c2ccco2)cc1
41646 O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1
41647 O=c1[nH]c(nc2ccccc12)-c1cccs1
41648 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1
41649 Cc1cc(C)n2cc(CSc3nnnn3-c3ccc(Cl)cc3)nc2n1
41650 C(CSc1nnnn1-c1ccccc1)Oc1ccccc1
41651 Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)cc1
41652 CCOC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1
41653 O=C(Nc1cccs1)Nc1ccccn1
41654 CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O
41655 O=C1SC(=N\C1=C\c1ccco1)c1ccccc1 |c:3|
41656 COc1cc2CCN3C(=O)CCC(C#N)=C3c2cc1OC |c:14|
41657 CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12
41658 Clc1ccc(CS(=O)(=O)NCC2CCCO2)cc1
41659 COc1cccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)c1
41660 CCOc1cccc(OCCCCn2ccnc2)c1
41661 OCCN(CCO)S(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1 |c:20|
41662 O=C(NCC1(CCCC1)c1ccccc1)C(=O)N1CCOCC1
41663 O=C(CN1CCN(CC#N)CC1)Nc1cccc2ccccc12
41664 C(Nc1c(nc2ccccn12)-c1ccccc1)c1ccc2OCOc2c1
41665 Clc1ccc(cc1)-c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)o1 |w:13.14|
41666 NC(=O)c1ccc(NC(=O)C2CCCO2)cc1
41667 COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
41668 Cc1cccn2c1nc1n(CCCn3ccnc3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
41669 CN(C)CCCNS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1 |c:20|
41670 Cc1ccccc1-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O |(4.49,-1.6,;5.83,-2.35,;5.85,-3.89,;7.19,-4.65,;8.51,-3.86,;8.5,-2.32,;7.15,-1.57,;7.14,-.03,;8.51,.8,;9.85,.03,;11.18,.8,;12.56,-.03,;13.95,.76,;13.95,2.37,;12.56,3.16,;11.18,2.34,;9.85,3.11,;9.85,4.65,;8.51,2.34,;7.14,3.16,;5.74,2.37,;4.41,3.14,;3.08,3.92,;5.74,.76,;4.41,-.01,)|
41671 CCCc1nn(c2CCCC(=O)c12)-c1cc(Cl)ccc1OC
41672 COc1ccccc1CNC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
41673 C(Sc1nnc(-c2ccccc2)n1Cc1ccco1)\C=C\c1ccccc1
41674 Cc1ccc(cc1)C1CC(=O)c2cnc(nc2C1)N1CCc2ccccc2C1
41675 CC(C)CCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
41676 Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1
41677 CC(C)CNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
41678 Cc1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1
41679 COc1ccc2cc(ccc2c1)S(=O)(=O)NCCCN1CCOCC1
41680 Clc1ccc(cc1)N1N=C(CC1c1ccco1)c1cccs1 |c:9|
41681 Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
41682 Cc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1
41683 Clc1ccc(Cn2cccc(-c3nc4ccccc4s3)c2=O)cc1Cl
41684 O=c1c(cccn1Cc1ccccc1)-c1nc2ccccc2s1
41685 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:12|
41686 Cc1cc(Br)ccc1OCCCCNCCO
41687 COc1cc2CCN3C(CCC(C#N)=C3c2cc1OC)=NC(=O)c1ccc(Cl)cc1 |w:20.23,c:13|
41688 CCN(CC)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
41689 COc1cccc(c1)C1(C)NC(=O)N(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C1=O
41690 CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
41691 Cc1cc(C(=O)COC(=O)Cn2cnc3ccccc3c2=O)c(C)n1Cc1ccccc1
41692 Cc1cc(C(=O)CSc2nnnn2C)c(C)n1Cc1ccccc1
41693 Cc1cc(C(=O)CN2C(=O)NC3(CCc4ccccc34)C2=O)c(C)n1Cc1ccccc1
41694 CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
41695 Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1Cc1ccccc1
41696 Cc1cc(C(=O)Cn2cnc3n(C)c(=O)n(C)c(=O)c23)c(C)n1Cc1ccccc1
41697 CN1C(=O)N(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)C(=O)C1=O
41698 Cc1cc(C(=O)Cn2cc(ccc2=O)C(F)(F)F)c(C)n1Cc1ccccc1
41699 Cc1cc(C(=O)COC(=O)CSc2nc(C)cc(C)n2)c(C)n1Cc1ccccc1
41700 Cc1cc(C(=O)COC(=O)Cn2c3ccccc3oc2=O)c(C)n1Cc1ccccc1
41701 Cc1cc(C(=O)COC(=O)CCS(=O)(=O)c2ccccc2)c(C)n1Cc1ccccc1
41702 Cc1cc(C(=O)COC(=O)CN2C(=O)C3CCCCC3C2=O)c(C)n1Cc1ccccc1
41703 Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1Cc1ccccc1
41704 Cc1cc(C(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c(C)n1Cc1cccs1
41705 Cc1cc(C(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1
41706 Cc1cc(C(=O)CN2C(=O)N(Cc3ccco3)C(=O)C2=O)c(C)n1Cc1ccccc1
41707 Cc1cc(C(=O)CN2C(=O)NC3(CCOc4ccccc34)C2=O)c(C)n1Cc1ccccc1
41708 Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1Cc1ccccc1
41709 CN(CC(=O)N(C)C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41710 CN(CC(=O)NC1CC1)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41711 CC(C)NC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41712 CNC(=O)c1ccc(CN(C)CC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
41713 CN(CC(=O)c1cc(C)n(Cc2ccccc2)c1C)Cc1ccco1
41714 CN(CC(=O)N1CCOCC1)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41715 CN(CC(=O)N1CCCC1)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41716 COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1
41717 Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1Cc1ccccc1
41718 Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1Cc1ccccc1
41719 CC(=O)c1ccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
41720 CC(=O)c1cccc(OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)c1
41721 Cc1cc(C(=O)CN2C(=O)N(Cc3ccccc3)C(=O)C2=O)c(C)n1Cc1ccco1
41722 Cc1cc(C(=O)COC(=O)C(O)c2ccccc2)c(C)n1Cc1ccccc1
41723 CCOC(=O)c1cc(C)n(Cc2ccccc2)c1C
41724 Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1Cc1ccccc1
41725 CCC1(CC)NC(=O)N(CC(=O)OCC(=O)c2cc(C)n(Cc3ccccc3)c2C)C1=O
41726 Cc1cc(C(=O)COC(=O)C2CSC3(C)CCC(=O)N23)c(C)n1Cc1ccccc1
41727 Cc1ccc(o1)C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2)c1C
41728 Cc1cc(C(=O)CN2C(=O)N(Cc3ccccc3)C(=O)C2=O)c(C)n1Cc1ccc(F)cc1
41729 COc1ccc(NC(=O)CN(C)CC(=O)c2cc(C)n(Cc3ccccc3)c2C)cc1
41730 CCNC(=O)CN(CC)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41731 CN(CC(=O)NC(C)(C)C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41732 Cc1cc(C(O)=O)c(C)n1Cc1ccccc1
41733 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccc2OCOc2c1
41734 Cc1nn(CC(=O)c2cc(C)n(Cc3ccccc3)c2C)c(C)c1[N+]([O-])=O
41735 Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1Cc1ccccc1
41736 Cc1cc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c(C)n1Cc1ccccc1
41737 Cc1cc(C(=O)Cn2cnc3c4ccccc4oc3c2=O)c(C)n1Cc1ccccc1
41738 CCCNC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41739 Cc1nc(C)c(s1)C(=O)OCC(=O)c1cc(C)n(Cc2ccccc2)c1C
41740 Cc1cc(C(=O)COc2ccc(cc2)C(N)=O)c(C)n1Cc1ccccc1
41741 Cc1cc(C(=O)CSc2ncccn2)c(C)n1Cc1ccccc1
41742 Cc1cc(C(=O)CN2C(=O)N(Cc3ccccc3)C(=O)C2=O)c(C)n1Cc1ccccc1
41743 Cc1cc(C(=O)CN2C(=O)N(C3CCCC3)C(=O)C2=O)c(C)n1Cc1ccccc1
41744 Cc1cc(C(=O)CN2CCN(CC2)C(=O)c2ccco2)c(C)n1Cc1ccccc1
41745 COCCNC(=O)CN(C)CC(=O)c1cc(C)n(Cc2ccccc2)c1C
41746 Cc1cc(C(=O)CSc2nnnn2C(C)(C)C)c(C)n1Cc1ccccc1
41747 Fc1ccc(Cn2nnnc2CN2CCN(CC2)C2CCCC2)cc1
41748 CCC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1C
41749 COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
41750 Clc1ccc(CC(=O)NCCN2CCCC2)cc1
41751 CNC(=O)CC(C(O)=O)c1ccc(OCC(C)C)cc1
41752 COc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cn1)C(C)C
41753 Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1 |c:10|
41754 COc1ccc(Cn2c3ccccc3sc2=O)cc1
41755 Cc1ccc2cc(C(N3CCN(CC3)c3ccccc3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
41756 CCn1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
41757 CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
41758 CCOC(=O)Cc1csc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)n1
41759 COc1ccc(CC2NCCC3(O)CCCCC23)cc1
41760 OC(=O)C1(CCC(=O)C1)c1ccccc1
41761 Cn1c2ncn(CCCc3ccccc3)c2c(=O)n(C)c1=O
41762 CC1(C)CC(=O)C=C(C1)NCc1ccncc1 |c:6|
41763 Cc1ccc(cc1)-n1c(O)c(C=NCCN2CCOCC2)c(=O)[nH]c1=O |w:12.13|
41764 COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O
41765 CCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
41766 FC(F)(F)C1(NC(=O)c2ccco2)NC(=O)N(CC2CCCCC2)C1=O
41767 O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12
41768 CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
41769 CN1CC2(Cc3cc(C)ccc13)C(=O)NC(=O)N(C2=O)c1ccccc1C
41770 CN1C(=O)N(C)C(=O)C2(Sc3ccccc3C2=O)C1=O
41771 C(Nc1ccccc1)c1nnc2CCCCCn12
41772 CCNC(=O)NC(=O)C(C)OC(=O)c1cccnc1SC
41773 OC(=O)c1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
41774 Brc1ccc(s1)S(=O)(=O)NCC(=O)N1CCCC1
41775 CCn1ccc(n1)C(=O)Nc1ccc(cc1)N(C)C(C)=O
41776 CCn1cnc2sc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c(C)c2c1=O
41777 O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1cccc2nonc12
41778 NC(=O)C1(CCN(CC1)C(=O)NC1CCCCC1)N1CCCCC1
41779 CC(=O)N1CCc2cc(Br)cc(c12)S(=O)(=O)NCc1ccccn1
41780 CC(C)OCCCNC(=O)c1ccc(NC(=O)C2CCCO2)cc1
41781 Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
41782 CCC(Sc1nc2nnc(C)c2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC
41783 CC1Cn2c(S1)nnc2-c1cc2ccccc2cc1O
41784 Cc1nn2c(ncc(NC(=O)c3ccc(C)cc3)c2=O)s1
41785 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1
41786 Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)NCc1ccco1
41787 CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N
41788 C\C(=C/C(=O)Nc1cc(C)on1)c1ccccc1
41789 CCc1nc2cc(Cl)c(Cl)cc2[nH]1
41790 COc1ccc(cc1)S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F
41791 COC(=O)CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 |TLB:6:8:12:16.15.18,17:16:12:8.20.9,THB:6:8:15:10.12.18,19:8:12:16.15.18,9:10:15:8.19.20,9:8:15:10.12.18,11:10:15:8.19.20|
41792 C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc12
41793 COc1cccc(OC)c1C(=O)N1CCN(CC1)c1ccccn1
41794 Brc1ccc(cc1)N1CC(=O)N(CC(=O)N2CCCc3ccccc23)C1=O
41795 COC(=O)c1cc(NC(=O)C2CCCO2)cc(c1)C(=O)OC
41796 CCOCCCNC(=O)CCCOc1ccccc1
41797 O=c1[nH]cc(COCc2ccccc2)c(=O)[nH]1
41798 Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:14|
41799 CCn1ncc(CN2CCN(CC2)C(=O)Nc2ccccc2C(=O)OC)c1C
41800 CC1Cc2ccccc2N1C(=O)c1ccc2n(C)nnc2c1
41801 CCc1noc(C)c1C(=O)N1CCOCC1
41802 NC(=O)Cn1c(nc2ccccc12)S(=O)(=O)Cc1ccccc1
41803 CC(C)(C)NC(=O)CC(CC(O)=O)c1ccccc1
41804 OCC(CO)(CO)N=Cc1cc(Br)ccc1O |w:7.6|
41805 OC(=O)COc1ccc(Br)cc1CN=O
41806 O=C(COc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
41807 CC1CCCC(C1)NC1CCCCNC1=O
41808 CC1CN(CCC1=O)C1CC(C)(C)NC(C)(C)C1
41809 Cc1ccc(OCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
41810 OC(=O)C1CCCCC1C(=O)Nc1ccc2OCCOc2c1
41811 CCC(C)c1ccc(NC(=O)C2CC2)cc1
41812 COc1ccc(cc1)N(C)C1=NS(=O)(=O)c2ccccc12 |t:11|
41813 O=C(N1CCCCC1)c1ccc(cc1)-n1cnnn1
41814 COc1cc(OC)cc(c1)C(=O)NCCCN1CCOCC1
41815 COc1cc(ccc1-n1cnnn1)S(=O)(=O)N1CCCCCC1
41816 Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|
41817 Oc1ccc2ccc3cccc[n+]3c2c1
41818 Clc1cc(c(Cl)s1)-c1ccnc(SCC=C)n1
41819 CC(C)Sc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
41820 Cc1cccc(C)c1NC1=NC(=S)N(c2ccccc2)C11CCOC(C)(C)C1 |t:10|
41821 O=C(CC1N(CCNC1=O)C(=S)Nc1ccccc1)Nc1ccc2OCCOc2c1
41822 CS(=O)(=O)N1CCN(C\C=C\c2ccccc2)CC1
41823 CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
41824 Cc1ccc(CNC(=O)c2cc3c(n2C)c2ccccc2n(C)c3=O)cc1
41825 COc1ccc2C(CC(O)=O)OC(=O)c2c1OC
41826 COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
41827 Cc1nc2cccc(C)n2c(=O)c1Cl
41828 Cn1cc(SCC(=O)Nc2ccc3OCCOc3c2)c2ccccc12
41829 Cn1c(nc2ccccc12)-c1cc2ccc(OC(=O)C(C)(C)C)cc2oc1=O
41830 CCCc1nc2sc3CCCCc3c2c(=O)n1NC(=O)CCC(O)=O
41831 CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
41832 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
41833 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1 |w:4.3|
41834 CCOc1ccccc1N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:17|
41835 CC(C)Nc1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)s1
41836 Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(C)c2)c(C)c1[N+]([O-])=O
41837 Cc1cccc2[nH]c3c(ncnc3c12)N1CCN(CC1)C(=O)c1ccco1
41838 Nc1cc(nn1S(=O)(=O)c1cccc2nsnc12)-c1ccc(Br)cc1
41839 NC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
41840 Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2c(Cl)cccc2Cl)c1=O
41841 Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCCCN1CCOCC1
41842 Cc1ccccc1Oc1ncnc2oc(cc12)-c1ccccc1
41843 OC1(N2CCCCC2)C(=O)Nc2ccc(cc12)[N+]([O-])=O
41844 CCN1C(=O)\C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc12
41845 [O-][N+](=O)c1cccc(c1)C(=O)NC(NC(=S)Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
41846 [O-][N+](=O)c1ccc(cc1NCC1CCCO1)N1CCNCC1
41847 [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCc2ccccc2)cc1
41848 OC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
41849 Cn1cc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c2ccccc12
41850 OC(=O)[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
41851 OC(=O)[C@@H](Cc1ccc2ccccc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
41852 Cc1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)c(C)c1
41853 CC(C)(C)c1ccc(C[C@@H](N2C(=O)c3ccc(cc3C2=O)C(O)=O)C(O)=O)cc1
41854 OC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
41855 OC(=O)[C@@H](Cc1c2ccccc2cc2ccccc12)N1C(=O)c2ccc(cc2C1=O)C(O)=O
41856 CCOC(=O)c1cc(n[nH]1)-c1ccc2OCCOc2c1
41857 Cn1nc(cc1C(O)=O)-c1ccc(F)cc1
41858 COc1ccc(cc1)-c1[nH]nc2oc(=O)cc(C)c12
41859 CCOC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
41860 Cn1nc(cc1-c1ccc(F)cc1)C(O)=O
41861 COC(=O)c1cc(n[nH]1)-c1ccc(OC)cc1
41862 O=C1N(C(=O)c2ccccc12)c1nnc(Cc2ccccc2)[nH]1
41863 COC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1
41864 COC(=O)c1cc(n[nH]1)-c1ccc(C)cc1C
41865 CCCCOc1ccc(cc1)-c1cc([nH]n1)C(=O)OC
41866 COC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1
41867 O=c1cc([nH][nH]1)-c1cccc2ccccc12
41868 COC(=O)c1cc(n[nH]1)-c1ccccc1
41869 Cc1cc(=O)oc2n[nH]c(-c3ccccc3)c12
41870 O=C1C(C(=O)c2ccccc12)c1nc2ccccc2[nH]1
41871 O=C1N(C(=O)c2ccccc12)c1nncs1
41872 O=C1N(C(=O)c2ccccc12)c1nnc[nH]1
41873 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccco1
41874 Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc(CCc2ccccc2)[nH]1
41875 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1cccnc1
41876 Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc(Cc2ccccc2)[nH]1
41877 Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1nnc[nH]1
41878 COc1ccc2C(=O)N(C(=O)c2c1OC)c1nnc(SC)[nH]1
41879 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccccc1Cl
41880 COc1ccc(C)cc1S(=O)(=O)Nc1ccc2ccccc2c1
41881 Oc1ccc(C(=O)CSc2nnc([nH]2)-c2ccccc2)c(O)c1
41882 CCc1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
41883 COc1ccccc1-c1nnc(SCC(=O)c2ccc(O)c(O)c2)[nH]1
41884 Cc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
41885 Oc1ccc(cc1O)C(=O)CNc1ccncc1
41887 Oc1ccc(cc1O)C(=O)Cn1ccnc1
41888 CCc1nccn1CC(=O)c1ccc(O)c(O)c1
41889 Cc1nccn1CC(=O)c1ccc(O)c(O)c1
41890 Oc1ccc(cc1O)C(=O)Cn1cnc2ccccc12
41891 Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
41892 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccnc2)n1CC=C
41893 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccccc2)n1CC=C
41894 COc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
41895 Oc1ccc(CCN=CC2C(=O)Nc3ccccc23)cc1O |w:7.6|
41896 O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(C1)c1ncccn1
41897 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC1CC2([H])CCCC([H])(C1)N2Cc1ccco1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
41898 [H]C12CCC([H])(CC(C1)NC(=O)NC1CCCCC1)N2S(=O)(=O)c1ccc(cc1)C(=O)OC
41899 null
41900 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)OC |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
41901 O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1ncccn1
41902 O=C(NC1CCCCC1)NC1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
41903 CCC(C)c1ccc(NC(=O)C2CCCN(C2)c2ncccn2)cc1
41904 CCCC(=O)Nn1cnc2-c3ccccc3CC3(CCCC3)c2c1=O
41905 C(Cc1ccccc1)N=C1NCCCS1 |w:8.8|
41906 CC(C)CCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 |(11.08,11.17,;9.75,10.4,;8.41,11.17,;9.75,8.86,;8.41,8.09,;8.41,6.55,;7.08,5.78,;5.75,6.55,;7.08,4.24,;8.41,3.47,;8.41,1.93,;7.08,1.16,;7.08,-.39,;5.75,-1.16,;5.75,-2.7,;7.29,-2.7,;4.21,-2.7,;5.75,-4.24,;4.41,-5.01,;4.41,-6.55,;5.75,-7.32,;5.75,-8.86,;4.41,-9.63,;4.41,-11.17,;3.08,-8.86,;7.08,-6.55,;7.08,-5.01,;5.75,1.93,;5.75,3.47,)|
41907 CC(C)CN(C#N)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
41908 Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl
41909 CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
41910 CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1
41911 O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)N1CCOCC1
41912 FC(F)S(=O)(=O)c1ccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
41913 Cc1cc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)ccc1Br
41914 CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)cc1C
41915 Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3sc(NC(=O)c4ccccc4)nc3C)cc2)no1
41916 CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccc(Cl)cc2[nH]1
41917 [H]C12CCC([H])(CC(C1)NC(=O)NC1CCCCC1)N2S(=O)(=O)c1ccc(OC)cc1
41918 CCN(CC)S(=O)(=O)c1ccc(cc1)N=C1NS(=O)(=O)c2ccccc12 |w:14.14|
41919 CCOC(=O)CSc1ccc(cn1)-c1nc2cc(C)c(C)cc2[nH]1
41920 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-[#6]-[#6]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-c2ccc(Cl)c(Cl)c2)-[#6](=O)-[#6]1
41921 O=C(NC1CCCCC1)NC1CCCCCCC1
41922 CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCCCOC(C)C |t:3|
41923 CCOC(=O)C(O)(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F
41924 Clc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O
41925 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)=NNC(=O)c1ccoc1C |w:15.18,TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
41926 CCN(CC)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
41927 Cc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)c(C)o1
41928 O=C(Cc1ccc(s1)S(=O)(=O)N1CCOCC1)NCCC(c1ccccc1)c1ccccc1
41929 Clc1nc(Nc2ccccc2)sc1C=NNC(=O)COc1ccc(cc1)C#N |w:14.16|
41930 Cc1ccccc1N(CC(=O)NN=Cc1ccccc1Cl)C(=O)c1ccccc1 |w:12.12|
41931 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(CC)=NNC(=O)c1ccncc1 |w:16.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
41932 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(CC)=NNC(=O)c1ccc2OCOc2c1 |w:16.19,TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
41933 Clc1ccc(NC(=O)NC2CCCc3ccccc23)cc1
41934 Fc1cccc(C=NNC(=O)c2csc3CCCCc23)c1 |w:7.7|
41935 COc1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1
41936 ClC1(Cl)C(C=NNC(=O)c2cccc(Br)c2)C1c1ccccc1 |w:5.5|
41937 COc1ccc([CH+][N-]NC(=O)c2cccc(c2)[N+]([O-])=O)cc1OS(=O)(=O)c1ccc(C)cc1
41938 CC(C)(C)C1CCc2c(C1)scc2C(=O)NN=Cc1cccs1 |w:16.17|
41939 Clc1ccc(CON=CNc2ncnc3sccc23)cc1 |w:7.6|
41940 Clc1ccc(OCCCC(=O)NN=CC2CCCCC2)c(Cl)c1 |w:12.11|
41941 Cc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
41942 CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
41943 Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)NCCSC1CCCCC1
41944 CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
41945 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)NCCSC2CCCCC2)c1
41946 Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1
41947 [H][C@@]12Cc3ccc(Oc4c(O)c(OC)cc5CCN(C)[C@]([H])(Cc6ccc(O)c(Oc7cc1c(CCN2C)cc7OC)c6)c45)cc3
41948 Cc1ccc2nsnc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
41949 C=CCNC(=O)C(=C\c1cn(nc1-c1cccs1)-c1ccccc1)\C#N
41950 CCCOc1ccc(cc1)C(=O)C(CCC(CNCC)C(=O)c1ccc(OCCC)cc1)CNCC
41951 CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1
41952 CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
41953 CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cccc2s1
41954 CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1
41955 CCOc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(=O)NCC(C)C
41956 OC(=O)C1Nc2cc(Cl)cc(Cl)c2C2C=CCC12 |c:15|
41957 OC(=O)CCc1ccc(O)c(O)c1
41958 OC(=O)c1cc2cc(O)ccc2[nH]1
41959 CC1NC(Cc2cc(O)c(O)cc12)C(O)=O
41960 COC(=O)c1ccccc1C1C2C=CC(=O)C(=O)C2Oc2c(O)c(O)ccc12 |c:13|
41961 Oc1ccc2c(Oc3c(O)c(O)ccc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1O
41962 Oc1ccc(cc1O)C(=C1CC(=O)C(=O)C=C1)c1ccccc1S(O)(=O)=O |w:8.18,c:16|
41963 [#7]-[#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#7])-c1ccc(-[#8])c(c1)-[#6](=O)-[#8]-[#7] |c:7,t:4|
41964 COc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O
41965 Oc1ccccc1C(N1CCOCC1)c1cc2OCOc2cc1O
41966 OCCN1CCC(CC1)Nc1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
41967 COc1cccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c1OC
41968 COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1OC
41969 COc1cccc(C(N2CCCC2)c2cc3OCOc3cc2O)c1O
41970 COc1cc(cc(OC)c1OC)C(N1CCCC1)c1cc2OCOc2cc1O
41971 COc1ccc(cc1)C(N1CCCC1)c1cc2OCOc2cc1O
41972 Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(F)cc1
41973 COc1ccc(C(N2CCCCC2)c2cc3OCOc3cc2O)c(OC)c1
41974 COc1cccc(C(N2CCN(CC2)C(c2cccc(OC)c2O)c2cc3OCOc3cc2O)c2cc3OCOc3cc2O)c1O
41975 Oc1cc2OCOc2cc1C(N1CCN(CC1)C(c1ccc2OCOc2c1)c1cc2OCOc2cc1O)c1ccc2OCOc2c1
41976 COc1ccc(cc1)C(N1CCN(CC1)C(c1ccc(OC)cc1)c1cc2OCOc2cc1O)c1cc2OCOc2cc1O
41977 Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc(Cl)cc1
41978 COc1ccc(cc1)C(N1CCCCC1)c1cc2OCOc2cc1O
41979 CN(C)c1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O
41980 COc1ccc(cc1OC)C(N1CCCCC1)c1cc2OCOc2cc1O
41981 COc1cc(ccc1O)C(N1CCOCC1)c1cc2OCOc2cc1O
41982 COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
41983 COc1cccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c1O
41984 Oc1cc2OCOc2cc1C(N1CCCCC1)c1ccc2OCOc2c1
41985 COc1cc(cc(OC)c1OC)C(N1CCCCC1)c1cc2OCOc2cc1O
41986 COc1ccc(cc1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
41987 Oc1cc2OCOc2cc1C(N1CCOCC1)c1ccc2OCOc2c1
41988 COc1ccc(cc1)C(N1CCOCC1)c1cc2OCOc2cc1O
41989 COc1ccc(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1
41990 COc1cc(OC)c(C(N2CCOCC2)c2cc3OCOc3cc2O)c(OC)c1
41991 CN(C)C1=C(Cl)C(=O)N(C1=O)c1cccc(c1)[N+]([O-])=O |c:3|
41992 CC(=O)Nc1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|
41993 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:12|
41994 Cc1cc(C)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|
41995 OC(=O)C1Nc2c(ccc(c2C2C=CCC12)[N+]([O-])=O)C(O)=O |c:13|
41996 OC(=O)C1Nc2c(I)cccc2C2C=CCC12 |c:14|
41997 Cc1cc(cc2C3C=CCC3C(Nc12)C(O)=O)[N+]([O-])=O |c:7|
41998 OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
41999 OC(=O)CCc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12
42000 [H]C12C=CC([H])(C1C)C(C2C(O)=O)c1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |c:2,TLB:13:8:6:3.2,THB:10:9:6:3.2|
42001 Oc1ccc2C3=C4CC(=O)C(=O)C=C4CC3(O)CCc2c1O |c:5,12|
42002 COc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
42003 Clc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
42004 Clc1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
42005 FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
42006 COC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCC(=O)N1CCN(CC1)c1cccc(Cl)c1)c2=O
42007 COc1cc2[nH]c(=S)n(CCCC(=O)N3CCN(CC3)c3cccc(Cl)c3)c(=O)c2cc1OC
42008 O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1
42009 O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1cccc2ccccc12
42010 Oc1ccccc1N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
42011 Oc1cccc(c1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
42012 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccncc1
42013 O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)c1ccccc1
42014 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)Nc1ccccc1
42015 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
42016 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ncccn1
42017 [O-][N+](=O)c1cccc(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O
42018 OC1(CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O)c1ccc(Cl)cc1
42019 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccccc1C#N
42020 CC(C)(C)OC(=O)[C@@H](CCC(=O)N1CCN(CC1)c1ccc(cc1)C#N)n1c(=S)[nH]c2ccccc2c1=O
42021 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1cccc(c1)C#N
42022 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)c1
42023 COc1ccccc1N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
42024 Cc1cc(no1)C(=O)Nc1sc2CCCc2c1C#N
42025 COc1ccc(cc1)C(=O)NN=C(C)c1ccc2NC(C3CC=CC3c2c1)c1ccccc1 |w:11.11,c:23|
42026 Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
42027 COc1cccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccc(cc2)C(O)=O)c1 |c:19|
42028 OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:12|
42029 COc1cc(cc2C3C=CCC3C(Nc12)C1CCC=CC1)[N+]([O-])=O |c:8,21|
42030 CC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc(c1)[N+]([O-])=O |c:11|
42031 OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(c1)[N+]([O-])=O |c:9|
42032 OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccc(Cl)cc1)[N+]([O-])=O |c:9|
42033 CC(=O)Oc1ccc(cc1)C1Nc2c(ccc(c2C2C=CCC12)[N+]([O-])=O)C(O)=O |c:21|
42034 OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(O)c(c1)[N+]([O-])=O |c:9|
42035 COc1ccc(NS(=O)(=O)c2ccc3N[C@@H]([C@@H]4CC=C[C@@H]4c3c2)c2ccc(cc2)C(O)=O)cc1 |c:18|
42036 COc1cccc([C@@H]2Nc3c(cc(Br)cc3C(O)=O)[C@@H]3C=CC[C@H]23)c1OC |c:21|
42037 C1CCN(CC1)c1ncnc2c3ccccc3[nH]c12
42038 C(Nc1ncnc2c3ccccc3[nH]c12)C1CCCO1
42039 COC(=O)c1ccc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)o1
42040 CCOC(=O)COc1ccc(cc1)S(=O)(=O)NCc1ccncc1
42041 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccncc1
42042 CCOc1ccc(cc1)S(=O)(=O)NCc1ccncc1
42043 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ccc2nc([nH]c2c1)-c1cccnc1 |TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
42044 CCOC(=O)c1ccc(cc1)-n1c(O)cc(N2CCC(O)(CC2)c2ccc(Br)cc2)c1O
42045 CC(=O)SC(C[N+]([O-])=O)c1cn(C(C)=O)c2ccccc12
42046 Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
42047 Cc1sc2ncnc(NCCc3ccc(cc3)S(N)(=O)=O)c2c1C
42048 CCCOc1ncnc2c3ccccc3[nH]c12
42049 CCOC(=O)N1CCN(CC1)c1ncnc2c3cc(F)ccc3[nH]c12
42050 Cc1ccc(cc1)S(=O)(=O)CC1CSc2nc3ccccc3n12
42051 Clc1ccc(cc1)C(=O)C=CSc1nnc[nH]1 |w:9.9|
42052 CNc1nc2cc(c(cc2nc1NC)[N+]([O-])=O)[N+]([O-])=O
42053 Clc1ccc(C=CC(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 |w:5.4|
42054 Cc1cc(Nc2cccc(Cl)c2)nc(NCc2ccccc2)n1
42055 N#C\C(=C/c1cccs1)c1nc2ccccc2[nH]1
42056 O=C(Cc1cccs1)Nc1cccc(c1)-c1nc2cc3ccccc3cc2[nH]1
42057 Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1cccnc1
42058 C(CC1=CCCCC1)Nc1ncnc2c3ccccc3[nH]c12 |t:2|
42059 NC1=NC(=NNc2nc(cs2)-c2ccc(F)cc2)c2ccccc12 |w:4.4,t:1|
42060 Clc1cnn(CC(=O)N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(=O)c1Cl
42061 CCc1ccccc1NC(=O)CN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O
42062 C(Nc1ncnc2sccc12)C1COc2ccccc2O1
42063 CN(C)c1ccc(\C=C\c2ccc3ccccc3[n+]2C)cc1
42064 CN(C(=S)NC1CCCCC1)C1(CCCCC1=O)c1ccccc1Cl
42065 CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc2nc(C)sc2c1
42066 CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2nnc(C)s2)c1
42067 CCn1c2ccc(C)cc2c2nc3cc(ccc3nc12)C(O)=O
42068 CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+]([O-])=O)c1C
42069 CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
42070 Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(CC1)c1ccccc1
42071 CCC(CC)c1nnc(NC(=O)Cc2cccs2)s1
42072 Cc1cc(NC(=O)\C=C\c2cccs2)no1
42073 Cc1cc(NC(=O)c2cccs2)no1
42074 Cc1cc(NC(=O)Cc2ccc(C)cc2)no1
42075 COc1ccc(cc1)-c1[nH]nc(c1-c1nc2ccccc2[nH]1)-c1ccccc1
42076 Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O
42077 OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1
42078 Oc1ccc2[nH]cc(CC([O-])=O)c2c1
42079 Nc1ccc(Oc2ccc(N)c(N)c2)cc1N
42080 Cc1ccc(cc1)C(=O)c1coc2c1C(=O)C(=O)C(Cl)=C2Cl |c:21|
42081 Clc1ccc(cc1)C1CC(=Nc2ncnn12)c1ccccc1 |c:10|
42082 [O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
42083 Nc1ccc(c2cccc(O)c12)S([O-])(=O)=O
42084 [O-][N+](=O)C(C=NCc1ccccc1)C1=CC(=O)C=CC1=O |w:5.5,c:18,t:14|
42085 CN(C)c1ccc(NC(=O)\C=C/C(O)=O)cc1
42086 [Na+].[Na+].[O-]C(=O)c1ccccc1C1C2C=CC3=CC(=O)C=CC3=C2Oc2c1ccc1cc([O-])ccc21 |c:12,18,21,t:14|
42087 CN(C)CCCNc1cc2oc3ccc(C)cc3nc2c2c(O)c3ccccc3c(=O)c12
42088 OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc(c1)[N+]([O-])=O |c:11|
42089 COc1ccc(OC)c(C=NNC(=O)c2cc[n+](CC(=O)c3ccccc3)cc2)c1 |w:10.10|
42090 C(=N/c1ccc(cc1)\N=C\c1ccccn1)\c1ccccn1
42091 COc1ccc(Nc2ccc(N)cc2)cc1
42092 COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)C1c1ccco1 |c:12,t:15|
42093 OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(cc1)[N+]([O-])=O |c:9|
42094 Clc1ccc(-[#6]-n2cc(\[#6]=[#6]-3/[#6](=O)-c4ccccc4-[#6]-3=O)c3ccccc23)cc1
42095 COC(=O)C1=C(C)N(C)C(=O)NC1c1cc2OCOc2cc1[N+]([O-])=O |c:4|
42096 Oc1cccc(\C=N\c2c(nc3ccccn23)-c2ccco2)c1
42097 OC1c2ccccc2C(=O)C11Nn2c(n[nH]c2=S)N=N1 |c:21|
42098 Clc1ccc(OCC(=O)Nc2nnc(s2)-c2ccco2)c(Cl)c1
42099 CCOc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCO)cc1
42100 OC(=O)C1Nc2ccc3ccccc3c2C2C=CCC12 |c:18|
42101 Cc1c(Cl)ccc2C3C=CCC3C(Nc12)C(O)=O |c:8|
42102 COc1cc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(Br)cc1O |c:19|
42103 OC(=O)C1Nc2c(cccc2[N+]([O-])=O)C2C=CCC12 |c:16|
42104 CCSc1nc(NN)c2c3CCN(C)Cc3sc2n1
42105 Cn1c2ccc(Nc3ccc(C=O)cc3)c3C(=O)c4ccccc4-c(cc1=O)c23
42106 Cc1cc(C)nc(NC(N)=Nc2cccc(N)c2)n1 |w:10.10|
42107 Cc1cc(C)nc(NC(N)=Nc2ccc(N)cc2)n1 |w:10.10|
42108 Fc1ccc(cc1Cl)N1NC(=O)\C(=C\c2ccco2)C1=O
42109 OC(=O)C1C2CC=CC2c2cc(Oc3ccccc3)cc3C4C=CCC4CN1c23 |c:6,24|
42110 OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccccc1)[N+]([O-])=O |c:9|
42111 OC(=O)C1Nc2c(cccc2C(=O)N2CCCC2)C2C=CCC12 |c:21|
42112 Cc1ccc(C)n1-c1ccc(Cl)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|
42113 Cc1ccc(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
42114 COc1cc(N)ccc1-n1c(C)ccc1C |(3.08,-.18,;4.41,.59,;5.75,-.18,;5.75,-1.72,;7.08,-2.49,;7.08,-4.03,;8.41,-1.72,;8.41,-.18,;7.08,.59,;7.08,2.13,;8.33,3.04,;9.79,2.56,;7.85,4.5,;6.31,4.5,;5.84,3.04,;4.37,2.56,)|
42115 Cc1ccc(C)n1-c1ccc(Br)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|
42116 Cc1ccc(C)n1-c1ccc(C(O)=O)c(Cl)c1
42117 Cc1ccc(C)n1-c1ccccc1C(O)=O |(10.11,1.55,;8.64,2.03,;8.17,3.49,;6.63,3.49,;6.15,2.03,;4.72,2.61,;7.4,1.13,;7.4,-.41,;8.73,-1.18,;8.73,-2.72,;7.4,-3.49,;6.06,-2.72,;6.06,-1.18,;4.55,-1.45,;4.02,-2.9,;3.56,-.27,)|
42118 [O-][N+](=O)c1cccc(c1)[N+]1=CC=CC1=C[c-]1c(=O)[nH]c(=S)n(CC=C)c1=O |w:14.16,c:12,t:10|
42119 Cc1ccc(C)n1-c1ccc(OCC(O)=O)cc1
42120 CC(=O)c1cc(C#N)c(SCC(=O)c2ccc(O)c(O)c2)nc1C
42121 Cc1cc(I)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|
42122 OC(=O)c1cccc2C3C=CCC3C(Nc12)c1cccc(Cl)c1Cl |c:9|
42123 Nc1[nH]nc2ncc3cc4ccccc4nc3c12
42124 CN1CCN(CN2C(=O)\C(=N/NC(=O)CSc3nc4ccccc4s3)c3ccccc23)CC1
42125 Cc1ccc(o1)-c1cc(C(O)=O)c2cc(Br)ccc2n1
42126 COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)c(OC)c1
42127 COCCCNC(=O)C1CCCN(C1)C(=O)Nc1ccc(OC)cc1
42128 COc1ccccc1NC(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1
42129 CC1=NC2(O)c3ccccc3C(=O)C2(O)C1C(=O)OCC=C |t:1|
42130 CCCCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
42131 N[C@@H](C(=O)N[C@H]1[C@H]2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1 |c:10|
42132 CCOC(=O)C(NC(=O)Nc1ccccc1)(OCC)C(F)(F)F
42133 COc1ccc(cc1)-n1nc2ccccc2n1
42134 CCC(=O)N1Cc2ccccc2-c2ccccc2C1=O
42135 Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)c1cccs1
42136 [H][C@]12[C@@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1cccc(Cl)c1)C(C)=O |c:4|
42137 CCOC(=O)c1ccc(NS(=O)(=O)c2cc(ccc2OC)-c2nnnn2C(C)C)cc1
42138 CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1=O
42139 CCn1c(n[nH]c1=S)-c1cc(OC)c(OC)c(OC)c1
42140 Nc1nnc2CCCCc2n1
42141 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1C)C(=O)c1ccco1 |c:4|
42142 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(C)cc1)C(=O)c1ccco1 |c:4|
42143 O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12)c1cccs1
42144 CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1
42145 COc1cc(ccc1O)C1C(C(=O)OC(C)C)C(C)=Nc2[nH]c(=O)[nH]c(=O)c12 |c:19|
42146 CCN(CC)CCCNC(=O)Cc1c(C(O)=O)n(C)c2ccccc12
42147 Oc1ccc2oc(=O)c3N(CCCc3c2c1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
42148 CCOC(=O)c1c(C)oc2c1c(C=NCc1ccccn1)c(O)c1ccccc21 |w:13.14|
42149 Cc1nc2sc(C(N3CCOCC3)c3ccc(C)cc3)c(O)n2n1
42150 COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC |(20.08,.82,;18.62,1.3,;17.47,.27,;17.79,-1.24,;16.01,.74,;14.86,-.29,;13.4,.19,;12.92,1.65,;11.38,1.65,;10.91,.19,;9.44,-.29,;8.3,.74,;6.83,.27,;6.51,-1.24,;5.69,1.3,;4.22,.82,;3.08,1.85,;3.4,3.36,;4.86,3.83,;5.19,5.34,;6.01,2.8,;12.15,-.72,;12.15,-2.26,;13.49,-3.03,;13.49,-4.57,;12.15,-5.34,;10.82,-4.57,;10.82,-3.03,;9.49,-2.26,;8.15,-3.03,)|
42151 [O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
42152 CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
42153 Cc1ccc2c(C)[nH]c(=O)cc2c1
42154 O=C(N1CCN=C1SCc1cccnc1)c1cccs1 |c:5|
42155 CC(N1CCc2ccccc2C1)C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21
42156 CCOC(=O)COc1cc(=O)n(CC)c2ccccc12
42157 CCOC(=O)N1CCN(CC1)C(=O)Cn1c(C)cc2ccccc2c1=O
42158 CC1CCN(CCC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1
42159 CN(CC(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)Cc1ccccc1
42160 Cc1onc(c1C(=O)NCc1ccccn1)-c1ccccc1
42161 Cn1c(COc2ccccc2)nnc1SCc1nc2ccccc2[nH]1
42162 OC(=O)C(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
42163 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ncc(CC(=O)OC)s1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
42164 CC(=O)Nc1ccc(cc1)-c1nnc(SCC(=O)n2c3CCCCc3c3ccccc23)n1C
42165 CCN1CCN(CCCOc2ccc(cc2)-c2ccccc2)CC1
42166 O=C(CSc1nnc(o1)-c1ccccc1)n1c2CCCCc2c2ccccc12
42167 Cc1csc(n1)N1CCc2ccccc12
42168 COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1
42169 CN1CCC(CC1)OC(=O)c1cc(Br)c(C)c(C)c1C
42170 CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)C(C)(C)C
42171 CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)c(C)c1
42172 Cc1oc2ccccc2c1-c1cn2CCSc2n1
42173 COCCCNC(=O)CCCC(=O)NCCCOC
42174 O=C(CSc1nnc[nH]1)c1ccc2OCOc2c1
42175 COc1ccccc1-c1c(C)nn2c(cc(C)nc12)N1CCCCCC1 |(5.45,-5.09,;6.48,-3.94,;7.99,-4.26,;8.47,-5.72,;9.97,-6.04,;11,-4.9,;10.52,-3.43,;9.02,-3.11,;8.54,-1.65,;9.44,-.41,;10.98,-.41,;8.54,.83,;7.08,.36,;5.75,1.13,;4.41,.36,;4.41,-1.18,;3.08,-1.95,;5.75,-1.95,;7.08,-1.18,;5.75,2.67,;7.13,3.34,;7.48,4.84,;6.52,6.04,;4.98,6.04,;4.02,4.84,;4.36,3.34,)|
42176 O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
42177 COc1cccc(c1)-c1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc3C2)c(C)o1
42178 CCCNc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1
42179 CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1
42180 CN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O
42181 ON(C1CC(=O)N(Cc2ccccc2)C1=O)c1ccccc1
42182 CCOC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:7|
42183 Cc1cc(C)nc(SCC(=O)Oc2ccc3oc(=O)cc(C)c3c2)n1
42184 O=C(CN1C(=O)CCC1=O)N1c2ccccc2Sc2ccccc12
42185 COC(=O)C1C(C(C)C)N(OC1(C)O)c1ccccc1
42186 CC(C)N(C(C)C)C(=O)COc1ccc(Br)cc1Cl
42187 CCO\C=C1/C(=O)N(C(=O)c2ccccc12)c1ccccc1
42188 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1C
42189 Cc1ccc(cc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1
42190 O=S(=O)(N1CCC(CC1)c1nc(no1)-c1ccncc1)c1ccc2ccccc2c1
42191 Cc1ccc(CSCCNC(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1
42192 C(CNc1ncnc2scc(-c3ccccc3)c12)CN1CCOCC1
42193 CCOc1ccc(cc1OC)C(=S)N1CCOCC1
42194 N#Cc1cn(Cc2ccccc2C#N)c2ccccc12
42195 O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10|
42196 CCN(CC)c1ccc(C=Nc2ccccc2)c(O)c1 |w:10.10|
42197 Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
42198 [O-][N+](=O)c1ccc(N[NH+]=C([N-]c2ccccc2)P(=O)(N2CCOCC2)N2CCOCC2)cc1 |w:8.7|
42199 COc1ccc(NC2=C(CCc3c2c(C)nn3-c2ccccn2)C=Nc2ccc(OC)cc2)cc1 |w:24.27,t:7|
42200 CC(C)(C)c1cc(OC(=O)c2ccncc2)ccc1O
42201 COc1cc(NCCCCCCCN)c2ncccc2c1
42202 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C)cc1
42203 CCCCCCCC1=CC2=CC(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCc1ccccc1 |c:22,t:7,9|
42204 COc1ccc(CCN2C(=O)c3ccncc3C2=O)cc1OC
42205 CSc1nsc(CC=Nc2ccc(Cl)cc2)c1C#N |w:8.8|
42206 Oc1cc2c(CN3CCN(CC3)c3ccccc3F)cc(=O)oc2cc1-c1ccccc1
42207 [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(C)=O |c:4|
42208 COCCCNC(=O)CC(NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1
42209 O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1 |(12.72,1.32,;11.95,-.02,;10.41,-.02,;9.64,1.32,;8.1,1.32,;7.2,.08,;7.68,-1.39,;5.75,.55,;4.41,-.22,;3.08,.55,;3.08,2.09,;4.41,2.86,;5.75,2.09,;7.2,2.56,;7.68,4.02,;12.72,-1.35,;11.95,-2.69,;12.72,-4.02,;14.26,-4.02,;15.03,-2.69,;14.26,-1.35,)|
42210 [O-]\[N+](=C/c1ccc(F)cc1)c1ccccc1
42211 [O-][N+](=O)c1ccc(cc1)-c1csc2SCC[n+]12
42212 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1nnc(s1)C(F)(F)F |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
42213 Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
42214 Clc1ccc(CSc2nnc(NC(=O)CN3C(=O)C4CC=CCC4C3=O)s2)cc1 |c:20|
42215 Cc1ccccc1\[N+]([O-])=C\c1ccncc1
42216 Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
42217 CCOC(=O)[C-](\N=[NH+]\c1ccc(F)cc1)C(=O)c1ccc(cc1)[N+]([O-])=O
42218 COc1ccc(CN2C(=O)C(C=NOCc3ccc(F)cc3)c3ccccc3C2=O)cc1 |w:12.12|
42219 Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
42220 CCOC(=O)c1nc(C)n(n1)-c1ccc(Cl)cc1
42221 Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14|
42222 CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
42223 Oc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 |c:7|
42224 CCN(CC)c1ccc(CN=Nc2ccccc2)c(O)c1 |w:10.9|
42225 COc1ccc(NC(=O)C(\NC(=O)c2cccs2)=C\c2cccnc2)cc1
42226 Nc1cccc(c1)-c1nc2cccc3cccc([nH]1)c23
42227 COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:10|
42228 CN1c2ccccc2N(C)C1(C)c1ccccc1
42229 COc1ccc(C=NNC(=O)C(C)n2cnc3ccccc3c2=O)cc1OC |w:7.7|
42230 [O-][N+](=O)c1ccc(\C=C\C(=O)OCC(=O)N2c3ccccc3Sc3ccccc23)cc1
42231 COC(=O)N(NC(=O)C(O)(CCC(C)C)CCC(C)C)c1ccccc1
42232 CC(=O)OCCCNc1cc(SCc2ccco2)c2nonc2c1[N+]([O-])=O
42233 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:11.11,t:14|
42234 OC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
42235 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccc(CC=C)c4oc3=O)cc2)s1
42236 S=c1[nH]nc(-c2ccccc2)n1N=CC=Cc1ccco1 |w:12.13,15.17|
42237 O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
42238 Fc1ccc(cc1)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2([C@@H]3N1C=Cc1ccccc31)C(=O)Nc1ccccc21 |c:25|
42239 CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
42240 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Cl)cc1
42241 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1
42242 CCOc1ccc(cc1)-c1nnc2ccc(SCC(=O)Nc3nc4ccccc4s3)nn12
42243 CCN1CCC2(CC1)N=C(C(=S)N2C(=O)c1ccc(C)cc1)c1ccc(F)cc1 |c:9|
42244 CN1CCC2(CC1)N=C(C(=S)N2C(=O)c1ccc(C)cc1)c1ccc(F)cc1 |c:8|
42245 [#6]-[#8]-c1ccccc1-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6](\C#N)-c1nc2ccccc2s1 |c:11,14|
42246 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
42247 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1F)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
42248 O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
42249 CCCCn1c(N)c(NCCC(C)C)c(=O)[nH]c1=O
42250 OC(=O)c1ccccc1SCC(=O)N1c2ccccc2Sc2ccccc12
42251 CCO\C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc12
42252 CC1(C)COC(\C=C\c2ccc(cc2)[N+]([O-])=O)=N1 |c:17|
42253 COc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
42254 Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
42255 CN(C1CCS(=O)(=O)C1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:10|
42256 O=C([C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1)c1ccccc1
42257 Oc1cc(cc(O)c1O)C(=O)OCC1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
42258 CCN(CC)c1ccc(CN=Nc2ccc(C)cc2)c(O)c1 |w:10.9|
42259 CCN(CC)c1ccc(CN=Nc2cccc(C)c2)c(O)c1 |w:10.9|
42260 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccccc1
42261 COc1ccc2cc(ccc2c1)-c1cc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c2ccccc2n1
42262 CN(C1CCS(=O)(=O)C1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
42263 COc1ccc(C=Nn2c3nncn3nc(c2=O)C(C)(C)C)cc1 |w:7.7|
42264 CC(C)COC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:9|
42265 CC(C)Oc1cccc(c1)C(=O)Nc1ccccc1N1CCOCC1
42266 OC(COCC1CCC=CC1)Cn1cnc2ccccc12 |c:8|
42267 COCCNC(=O)C(N(CC=C)C(=O)Cn1nnc2ccccc12)c1ccc(OC)cc1OC
42268 CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1 |(6.45,-3.11,;6.45,-1.57,;7.78,-.8,;9.12,-1.57,;9.12,-3.11,;10.45,-3.88,;11.79,-3.11,;11.79,-1.57,;10.45,-.8,;10.45,.74,;9.21,1.64,;7.74,1.17,;6.6,2.2,;5.13,1.72,;3.99,2.75,;4.81,.22,;9.68,3.11,;11.22,3.11,;11.7,1.64,;13.16,1.17,;13.48,-.34,;14.95,-.81,;16.09,.22,;17.56,-.26,;15.77,1.72,;14.31,2.2,)|
42269 Fc1ccc2[nH]c3nc(SCC(=O)OCc4ccccc4)nnc3c2c1
42270 CC(CS(=O)(=O)c1cccc2cccnc12)N1CCCCC1
42271 Cc1nc(C)c(s1)-c1csc(NCc2ccco2)n1
42272 CCOC(=O)COc1ccc(cc1)-c1nnc(o1)-c1ccccc1
42273 CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
42274 COc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCC1CCCO1)c1ccccc1C
42275 COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12
42276 CC(C)CCn1nnnc1C(N1CCC(CC1)C(N)=O)c1ccccc1
42277 O=C(CNC(=O)c1cccs1)N(C(C(=O)NC1CCCC1)c1ccco1)c1cccnc1
42278 CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(C)cc2)c1
42279 CCN1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
42280 Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2CCCCc12
42281 COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
42282 CCN1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccc(OC)c(OC)c1
42283 CC(C)(C)NC(=O)CSc1nncn1NCc1ccccc1
42284 O=C(OCCN1CCCCC1)c1cc2ccccc2o1
42285 COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1
42286 COc1ccc(OC)c(Nc2nc(cs2)-c2sc(N)nc2C)c1
42287 CC(C)CC(N1CCN(CC1)C1CCCC1)c1nnnn1CC1CCCO1
42288 Cc1cc(no1)-c1nnc(SCc2cccnc2)o1
42289 COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1
42290 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccccc1
42291 Oc1cc(Cc2ccccc2)c(O)n1-c1ccc(Cl)cn1
42292 CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
42293 Cc1ccn2cc(nc2c1)C(=O)Nc1ccccc1N1CCOCC1
42294 CCOC(=O)C1(Cc2ccc(O)cc2)NC(C2C1C(=O)N(C)C2=O)c1ccccc1F
42295 Cc1cc(C)cc(c1)N1CCN(CC1)C(=O)N1CCOCC1
42296 CCCCNC(=O)C1CCCN1C(=O)Nc1cccc(OC)c1
42297 Clc1ccccc1Cn1cnc2c(C#N)c3CCCCCn3c2c1=O
42298 COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc12
42299 C=CCn1c(n[nH]c1=S)-c1c[nH]c2ccccc12
42300 Cc1ccccc1OCC(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
42301 CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N
42302 Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1
42303 Fc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc23)c1
42304 COc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
42305 CCC(C)n1cnc2n(Cc3ccc4OCOc4c3)c3nc4ccccc4nc3c2c1=O
42306 Cc1cc(C)nc(Sc2nc(C)nc3c4ccccc4oc23)n1
42307 C(Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1nc2ccccc2s1
42308 CCCc1cc(=O)[nH]c(SCC(=O)CSc2nc(CCC)cc(=O)[nH]2)n1
42309 Cc1ccc(C)n1-c1ccc(cc1)C(=O)NCC1CCCO1
42310 CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
42311 Cc1ccc(cc1)C(N1CCCC1)C(=O)NC1CCCCC1
42312 Cc1nonc1NC(=O)OCCN1CCOC1=O
42313 COc1ccc(CNC(=O)CCCNS(=O)(=O)c2cccc3nonc23)cc1
42314 Brc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCN(Cc2ccccc2)CC1
42315 CC1=Nc2nc(nn2C(C1C(N)=O)c1cccs1)-c1cccc(C)c1 |t:1|
42316 COC(=O)c1cn(NC(=O)c2ccncc2)c(=O)c2ccccc12
42317 CC1CCCCN1C(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccc2OCOc2c1
42318 CCN1CCN(CCCNC(=O)c2cc3cc4ccc(OC)cc4nc3o2)CC1
42319 COc1cc2c(cn(C)c(=O)c2cc1OC)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
42320 CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
42321 COc1cccc(c1)N1C(=O)Nc2ccccc2C1(O)C(=O)NCc1ccc2OCOc2c1
42322 Cc1ccccc1NC(=O)Nc1cccs1
42323 CC(=O)c1ccc2Sc3ccccc3Nc2c1
42324 OC(=O)c1ccc2C(=O)OC(c2c1)c1ccccc1
42325 CC1=Nc2nnnn2C(C1C(=O)Nc1cccnc1)c1ccncc1 |t:1|
42326 CCN(CC)c1nc2cc(OC)ccc2cc1C#N
42327 COCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C2CCCCC2)o1
42328 CN(CC(=O)Nc1nc2c(C)cccc2s1)S(=O)(=O)c1cccs1
42329 O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)c1ncccn1
42330 COC(=O)CN1CCN(C(=O)c2ccc(F)cc2)c2ccccc2C1
42331 CN(C)CCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(C)c(C)c1
42332 CCOC(=O)C1CCN(CC1)C(=O)c1ccc(NC(=O)C2CCCO2)cc1
42333 CCOC(=O)NC(CC(O)=O)c1ccc(OCC)cc1
42334 COc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(C)C)cc1OC
42335 CC(=O)N1C(CSC1c1cccc(C)c1)C(O)=O
42336 Brc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cccnc1 |t:7|
42337 Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1
42338 Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1
42339 Cc1c(C)c(=O)oc2c(C)c3oc4CCCCc4c3cc12
42340 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)N1CCN(CC1)C(=O)c1ccco1
42341 CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1nc2CCCCc2s1
42342 CC1CCCCN1CCNS(=O)(=O)c1cc(Br)cc2CCN(C(C)=O)c12
42343 CCN(CC)CCCNC(=O)c1cc(on1)-c1cccc(Cl)c1
42344 O=S(=O)(NCc1csc(n1)-c1cccnc1)c1ccc2OCCOc2c1
42345 COc1cccc(c1)-c1cc(nc(NCc2ccco2)n1)C(F)(F)F
42346 CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12
42347 CC1(C)CC(=O)N(CC(O)=O)c2ccccc2S1
42348 O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc12
42349 ONC(=N)c1nc(nc(n1)N1CCCCC1)N1CCCCC1
42350 CC(N=O)c1ccc2c(c1)n(C)c1ccccc21
42351 Cc1cccn2c1nc(NCCO)c(C=Nc1ccc(Cl)cc1)c2=O |w:15.16|
42352 Cc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCc1ccco1
42353 CC(C)n1c2c([nH]c1=S)n(C)c(=O)[nH]c2=O
42354 CN(c1cc(C)ccc1C)S(=O)(=O)c1cccc2nsnc12
42355 O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1
42356 Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1N1CCCCC1)C(O)=O
42357 Clc1ccc(NC(=O)NCCCn2ccnc2)cc1
42358 CC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCCCN1CCOCC1 |(4.41,1.54,;4.41,,;3.08,-.77,;5.75,-.77,;5.75,-2.31,;4.41,-3.08,;3.08,-2.31,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;4.41,-9.24,;5.75,-6.93,;5.75,-5.39,;7.08,,;8.41,-.77,;7.08,1.54,;8.41,2.31,;8.41,3.85,;9.75,4.62,;9.75,6.16,;8.41,6.93,;8.41,8.47,;9.75,9.24,;11.08,8.47,;11.08,6.93,)|
42359 [H]C12OC3(C=C1)C(C2C(=O)Nc1cccc(OC)c1)C(=O)N(C(C)C)C3C(=O)NC1CCCCC1C |c:4|
42360 Cc1cccn2c1nc1n(C)c(cc1c2=O)C(=O)NCCCn1ccnc1
42361 CCOC(=O)c1ccc(NC(=O)CSc2nc(O)c(CC)c(=O)[nH]2)cc1
42362 CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O
42363 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O
42364 COc1cccc2cc(NC(=O)C3CCCCC3)c(=O)oc12
42365 CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CSC)o1
42366 O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O
42367 Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
42368 Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(CC1)c1ccccc1
42369 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
42370 CCOc1ccc(c2cccnc12)S(=O)(=O)NCC1CCCO1
42371 CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn12 |c:25|
42372 OC1(N(C(=O)Nc2ccccc12)c1ccc(Cl)c(Cl)c1)C(=O)NC1CC1
42373 CCCCN(CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
42374 CCOC(=O)CN1C(=O)CSc2ccccc12
42375 Oc1cc(=O)[nH]c(=O)n1-c1ccc2OCOc2c1
42376 Cc1c(Cl)cccc1N(CC(O)=O)S(C)(=O)=O
42377 Cc1ccc(C)c(OCCCC(=O)NCC=C)c1
42378 COCc1cc(C)nc(NC2CCCCC2)c1C#N
42379 Cc1cc(NC(=O)CSc2nc3ccccc3[nH]2)no1
42380 Cc1cc2c(C)cc(=O)oc2c2CCCNc12
42381 S=c1[nH]nc(Cc2ccccc2)n1Cc1ccco1
42382 [H]C12CN(Cc3cccc(Cl)c3Cl)CC([H])(C1)c1cccc(=O)n1C2 |TLB:18:17:16:3.2.13|
42383 COC(=O)c1sc(NC(=O)c2csc3CCCCc23)nc1C
42384 OC(=O)c1cccnc1SCCc1ccccc1
42385 CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1
42386 COc1ccc(Cc2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1
42387 CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1 |(6.85,-6.43,;6.85,-4.89,;5.52,-4.12,;5.52,-2.58,;4.18,-1.81,;6.85,-1.81,;8.18,-2.58,;9.52,-1.81,;10.89,-2.63,;10.88,-4.17,;12.29,-1.84,;13.62,-2.61,;12.29,-.24,;10.89,.56,;9.52,-.27,;8.18,.5,;8.95,1.84,;6.85,-.27,;5.52,.5,;4.11,-.12,;3.08,1.02,;3.85,2.35,;5.36,2.03,;5.83,3.5,;4.8,4.64,;5.28,6.11,;6.78,6.43,;7.81,5.28,;7.34,3.82,)|
42388 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSC1CCCCC1
42389 CCOC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2c(C)nn1-c1cccc(Cl)c1
42390 Cc1cc(C)cc(c1)N1CC(CC1=O)C(O)=O
42391 CCn1c(CCNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCC1
42392 COC(=O)c1cn(C(=O)c2cccs2)c2ccccc12
42393 CC(=O)c1ccc(NC(=O)CSCCO)cc1
42394 CCOC(=O)c1c(C)n(C)c2ccc(OC(C)C(=O)OC)cc12
42395 Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1
42396 CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1
42397 Cc1oc(cc1COc1ccccc1)C(=O)Nc1ccc(O)cc1
42398 O=C(CN1CCOCC1)N1CCN(C1)S(=O)(=O)c1ccccc1
42399 CCCCSc1nnc(o1)-c1ccc(C)cc1
42400 C\N=C1\SC(CC(=O)Nc2cccc(c2)C(F)(F)F)C(=O)N1C
42401 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)no1
42402 Cc1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1ccncc1
42403 C=CCSC1=N\C(=C/c2ccsc2)C(=O)S1 |t:4|
42404 COc1ccc(cc1OC)C(=O)N1CCC(CC1)C(=O)Nc1cccc(C)c1
42405 O=S(=O)(NC1C(N2CCNCC2)c2cccc3cccc1c23)c1ccccc1
42406 COC(=O)c1cn(nc1-c1cccnc1)-c1ccccc1
42407 COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1cccc(OC)c1OC
42408 COc1ccccc1CN(Cc1nnnn1Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O
42409 CC(C)CC(N1CCN(CC1)c1ccccc1F)c1nnnn1C1CCCC1
42411 CCCCCCn1c2CCCc2c(=N)c2CCCc12
42412 COc1cccc(Oc2c[nH]nc2-c2ccc(O)cc2O)c1
42413 COc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1
42414 COc1ccc(Oc2c(C)[nH]nc2-c2ccc(O)cc2O)cc1
42415 CCCCOc1cccc(OCCCC)c1C(=O)Nc1cc(C)on1
42416 CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N(CC)CC)cc1
42417 O=C(NC1CCCCC1)C(N(Cc1ccc2OCOc2c1)C(=O)c1cnsn1)c1ccncc1
42418 CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1ccccc1)c1ccc(cc1)C(F)(F)F
42419 OC(=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
42420 Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F
42421 CCOC(=O)C(C=Nc1cc(C)nn1-c1ccc(Cl)cc1)C(=O)OCC |w:7.7|
42422 CCC(C)(N(Cc1ccco1)C(=O)Cc1cccs1)C(=O)NC1CCCC1
42423 Clc1ccc(Cn2cc(C(=O)c3ccco3)c3ccccc23)cc1
42424 CCC(C)(N(Cc1ccco1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
42425 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
42426 Cc1cccc(OCCNC(=O)c2ccc(Oc3ccc(cc3[N+]([O-])=O)C(F)(F)F)cc2)c1
42427 Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
42428 CCCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(O)=O
42429 Cc1ccc(cc1)C(=O)C[n+]1cc(-c2ccccc2)n2CCCCCc12
42430 COc1ccc(cc1N(CC(O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccccc1)[N+]([O-])=O
42431 CCCCC(O)(CCCC)C(=O)NN(C(=O)OC)c1ccccc1
42432 CCc1cccc(CC)c1NC(=O)C(NS(=O)(=O)c1cccs1)c1ccccc1
42433 CC(C)(C)NC(=O)c1oc2ccccc2c1COc1ccccc1
42434 [H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(Cc3ccc(nc3)C(F)(F)F)c1C2
42435 Cc1ccc(COC(=O)c2nn(nc2N)-c2ccccc2)cc1
42436 Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccccc1C(F)(F)F
42437 COc1ccc(cc1)C1N(N=C(N(C)N1C(C)=O)C(C)=O)c1ccc(Cl)cc1 |c:11|
42438 CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
42439 COc1ccc(cc1)N(C(=O)C1CCCCC1)S(=O)(=O)c1cccc2cccnc12
42440 Cn1ccnc1C1CCCCN1Cc1nc(no1)-c1ccc2OCOc2c1
42441 COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
42442 CNCc1cc(Cl)cc(OC)c1OC(C)C
42443 CC1=CC(C)(C)N(C(=O)CNC2CCCCC2)c2cc(C)ccc12 |t:1|
42444 CC(C)(C)NCc1cc(Br)ccc1OC1CCCC1
42445 COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C
42446 COc1ccc(cc1)-c1noc(CN2CCCCC2c2nccn2C)n1
42447 Cc1cc(C)n(CCNCc2cn(nc2-c2ccc(F)cc2)-c2ccc(C)cc2)n1
42448 CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C1CCSCC1
42449 Cc1cc2cc(C)c(NCCNC(=O)c3cccc(F)c3)nc2cc1C
42450 Oc1ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c(O)c1
42451 CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(CN3CCOCC3)c12
42452 COc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccc(Cl)cc1
42453 [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)Cn1c(NCCO)nc2ccccc12 |TLB:9:7:6:3.2|
42454 Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
42455 Brc1ccc(cc1)-c1csc(N=CN2CCCC2)n1 |w:11.11|
42456 Cc1ccc(c(C)c1)-n1c(c[n+]-2c1CCc1ccccc-21)-c1ccccc1 |(4.56,4.78,;5.04,6.24,;4.01,7.39,;4.49,8.85,;6,9.17,;7.02,8.03,;8.53,8.34,;6.55,6.56,;6.47,10.64,;5.57,11.88,;6.47,13.11,;7.93,12.65,;7.93,11.11,;9.26,10.34,;10.6,11.11,;10.6,12.65,;12,13.43,;12.01,15.03,;10.62,15.83,;9.24,15.02,;9.26,13.42,;4.03,11.88,;3.26,13.21,;1.72,13.21,;.95,11.88,;1.72,10.54,;3.26,10.54,)|
42457 [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]\[#7+](-[#6]-1)=[#6]-1/[#6]C([#6])([#6])[#6]-[#6](=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:15|
42458 COc1ccccc1-n1c2CCc3ccccc3-[n+]2cc1-c1ccccc1 |(9.56,5.73,;8.53,6.88,;7.02,6.56,;6.55,5.1,;5.04,4.78,;4.01,5.93,;4.49,7.39,;6,7.71,;6.47,9.17,;7.93,9.64,;9.26,8.87,;10.6,9.64,;10.6,11.18,;12,11.96,;12.01,13.57,;10.62,14.37,;9.24,13.56,;9.26,11.95,;7.93,11.18,;6.47,11.65,;5.57,10.41,;4.03,10.41,;3.26,11.75,;1.72,11.75,;.95,10.41,;1.72,9.08,;3.26,9.08,)|
42459 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
42460 COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)NCC1CCCCC1
42461 COc1ccc(cc1)N(C)S(=O)(=O)c1cccc(c1)C(=O)NC1CCC(C)CC1 |(16.42,7.7,;16.42,6.16,;15.08,5.39,;15.08,3.85,;13.75,3.08,;12.42,3.85,;12.42,5.39,;13.75,6.16,;11.08,3.08,;9.75,3.85,;11.08,1.54,;12.62,1.54,;9.54,1.54,;11.08,,;12.42,-.77,;12.42,-2.31,;11.08,-3.08,;9.75,-2.31,;9.75,-.77,;8.41,-3.08,;7.08,-2.31,;8.41,-4.62,;7.08,-5.39,;7.08,-6.93,;5.75,-7.7,;4.41,-6.93,;3.08,-7.7,;4.41,-5.39,;5.75,-4.62,)|
42462 CC1OC(OC2C(O)C(O)COC2OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(CCC43C)C(O)=O)C2(C)CO)C(O)C(OC2OCC(OC(C)=O)C(OC(C)=O)C2O)C1O |t:28|
42463 [H][C@@]12O[C@]1(C)[C@@H](C)[C@@]1([H])[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]11C(=O)C=CC(=O)[C@H](O)C(C)=C[C@@H](C)CC=C[C@@]21[H]
42464 CC(C)c1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
42465 Cc1onc(c1C(=O)Nc1sc2CCCc2c1C#N)-c1ccccc1Cl
42466 O=C(CN(Cc1ccc2OCOc2c1)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1
42467 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
42468 OC(Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N)c1ccco1
42469 Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
42470 COc1ccc(cc1OC)-c1nc(C#N)c(NC(C)c2ccccc2)o1
42471 CC1CCN(CC1)c1nc(C)nc2c3ccccc3oc12
42472 CC(C)COc1ccc(cc1)C(=O)OC1CC(C)(C)OCC1CN(C)C
42473 Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1n[nH]c2CCCc12 |t:9|
42474 COC(=O)c1ccc(CSc2nc3sc4CCCCc4c3c(=O)n2C)o1
42475 Clc1ccc(cc1)-c1nnn(Cc2nc3ccccc3s2)n1
42476 C(Sc1nnc(o1)-c1cccs1)c1csc(n1)-c1ccccc1
42477 COc1ccc(cc1)-n1nc(C(=O)Nc2ccc3OCOc3c2)c2ccccc2c1=O
42478 COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)Cc2ccccc2OC)cc1
42479 O=C(CSc1nc2ccccc2o1)c1ccc2OCCOc2c1
42480 Clc1ccc(OCc2nc(C#N)c(o2)N2CCCCCC2)cc1
42481 COc1ccc(cc1)-c1noc(COc2ccc(Cl)c(C)c2)n1
42482 Cc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 |t:8|
42483 COc1ccc(cc1)-c1nnc2sc(nn12)C(C)N1C(=O)c2ccccc2C1=O
42484 ClC1=CCC2C(C1)C(=O)N(CC1Cc3ccccc3CO1)C2=O |t:1|
42485 Cc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
42486 CCN(CC)CC(O)COc1ccc2n(c(C)c(C(C)=O)c2c1)-c1ccccc1
42487 CCSc1nc2ccc(OC)cc2cc1C#N
42488 OC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
42489 COC(=O)C1=C(SC2(S1)C(C(=O)OC)=C(SC1=C2c2cccc(C)c2NC1(C)C)C(=O)OC)C(=O)OC |c:14,17,t:4|
42490 Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
42491 CC(C)COC(=O)c1cccc2C(N=O)c3ccccc3-c12
42492 Brc1ccc(COC(=O)CCc2nc(c(o2)-c2ccccc2)-c2ccccc2)cc1
42493 CCOc1nc(SCCOc2ccc(Cl)cc2Cl)nc(n1)N(C)C
42494 CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
42495 O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
42496 Cc1cccc(NC(=S)NNC(=S)NCc2ccccc2)c1
42497 CCCCCCCCCS(=O)(=O)N[N-][CH+]c1cccc(c1)[N+]([O-])=O
42498 Cc1cccc(N2CCN(CCNC(=O)Cn3cccc3C(=O)c3ccccc3C)CC2)c1C
42499 CCOc1ccc2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1
42500 CCOc1ccc(cc1)-n1cc(C(=O)Nc2cccc(Cl)c2)c2cc(OC)c(OC)cc2c1=O
42501 COc1cc(C=Nn2cnnc2)ccc1OCc1ccc(C)cc1 |w:6.6|
42502 COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)c(OC)c1
42503 C(CCN1CCCCC1)COc1ccc(OCc2ccccc2)cc1
42504 CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
42505 COc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1ccc(OC)c(OC)c1)c1ccccc1
42506 O=c1c2ccccc2nc2c3ccccc3c(NCCN3CCOCC3)nn12
42507 COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1
42508 Oc1cccc(c1)-c1nc2ccc3ccccc3c2c2CCCc12
42509 CC(C)Oc1ccc(cc1)C(=O)ON=C(C)c1ccc(C)c(C)c1 |w:13.13|
42510 COc1ccc(Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1
42511 CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
42512 CCN(CC)CC#CCC(C)(c1ccccc1)c1ccccc1
42513 Clc1cccc(\C=C\C(=O)c2nc3ccccc3[nH]2)c1
42514 CCCCNC(=O)c1onc(CSc2ccccc2F)c1C(O)=O
42515 Clc1ccccc1-c1cc(COC(=O)Nc2ccccc2)no1
42516 Cc1nc(sc1C(=O)CSc1ccc(Cl)cc1)-c1ccccc1
42517 Clc1ccccc1CSc1nnc(\C=C\c2ccccc2)o1
42518 Clc1ccc(CSc2cc3CCc4ccccc4-c3nn2)cc1Cl
42519 Clc1ccc(NC(=O)c2csc(n2)-c2ccccc2)cc1
42520 COc1ccccc1CCNCc1ccc(OC)c(OCc2ccccc2)c1
42521 COC(=O)c1cc(Cl)c(NC(=O)c2ccc(cc2)C(C)(C)C)cc1OC
42522 Cc1ccc(cc1)-c1cc(C(=O)Nc2ccc3OCCOc3c2)c2ccccc2n1
42523 C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
42524 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2C)C(=O)Nc2ccccc2-c2ccccc2)c1
42525 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2-c2ccccc2)c1
42526 Cc1ccc(NC(=S)NCc2ccc3OCOc3c2)cc1C
42527 Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1CCc1ccccc1
42528 O=C(\C=C\c1cccc2ccccc12)c1ccncc1
42529 Clc1cccc(Cl)c1CSCC(=O)Nc1ccccc1-c1ccccc1
42530 Clc1ccc(CSc2nc(ccc2C#N)-c2cccnc2)cc1Cl
42531 Oc1c(Br)cc(Br)cc1C=Nc1cccc(NC(=O)c2ccco2)c1 |w:10.11|
42532 Clc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
42533 CN(C)CCCSc1nc(nc2CCCc12)-c1ccccc1
42534 Cc1ccc(NC(=S)NC(N)=Nc2nc(C)c3cc(C)ccc3n2)c(C)c1 |w:11.11|
42535 CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1
42536 Cc1cccc(CSCCNC(=O)COc2ccc(Cl)cc2)c1
42537 Cc1ccc(NC(=O)C(=O)NCCOc2ccc(Cl)cc2)c(C)c1
42538 CCC(Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O)C(=O)OCc1ccccc1
42539 CCOc1ccc(NC(=S)N2CCC(CC2)C(O)(c2ccccc2)c2ccccc2)cc1
42540 CN(C)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)Nc1cccc(C)c1
42541 OC1(CCN(Cc2ccccc2)C2CCCCC12)c1ccccc1
42542 Clc1ccc(CSCC(=O)NN=Cc2c(Cl)cccc2Cl)cc1 |w:11.10|
42543 COc1ccc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC |w:7.7|
42544 CCCCOc1ccc(cc1)C1=NNC(=O)CC1 |t:12|
42545 Brc1ccc(COc2ccccc2C(=O)NN=Cc2ccco2)cc1 |w:16.16|
42546 CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nnc2c3ccccc3n(C(C)C)c2n1
42547 Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccc(Cl)c(Cl)c1
42548 CC(C)OC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc2n(C)c3ccccc3c2c1
42549 [#6]-[#6]\[#6](-[#7]-[#6]-[#6]-[#6](-c1ccccc1)-c1ccccc1)=[#6]-1\[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O
42550 COc1cccc(c1)-c1ccc(C#N)c(SCC(=O)NCCc2ccc(Cl)cc2)n1
42551 Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1
42552 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)c1ccncc1)S(=O)(=O)c1ccc2ccccc2c1
42553 Cc1cccc(c1C)-n1ccnc1SCC(=O)N1CCCc2ccccc12
42554 Clc1ccccc1C=NNC(=S)NCCc1ccccc1 |w:8.9|
42555 CCOc1ccc(Oc2c(C=NNC(C)=O)c(C)nn2-c2ccccc2)cc1 |w:11.11|
42556 Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl
42557 Clc1ccc(\C=C\C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1
42558 COC(=O)c1cc2occc2n1Cc1nc(oc1C)-c1ccccc1Cl
42559 Nc1c2CCCCCCc2nc2sc3CCCCc3c12
42560 CCCCC(=O)N\N=C\c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
42561 Clc1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
42562 CCc1n[nH]c(=S)n1N=Cc1cc(Br)c(OC)cc1OC |w:8.8|
42563 CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1
42564 CCCCCC(=O)NC(=S)Nc1ccc(Br)cc1C
42565 CN(CCCCOc1ccc(C)cc1Br)Cc1ccccc1
42566 COc1cc(C=NNC(N)=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:6.6|
42567 CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1
42568 C\C=C(\C)C(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)C(\C)=C/C
42569 O=C(COC(=O)c1ccc(cc1)-c1ccccc1)Nc1ccccc1-c1ccccc1
42570 COc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCC1
42571 CN(C)Cc1ccccc1Sc1cccc2ccccc12
42572 CCCCCCNS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
42573 CN1CCC(CC1)Oc1ccccc1Sc1ccccc1
42574 Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccc(C)cc1
42575 COc1ccccc1OCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
42576 Fc1ccccc1N1CCN(CC1)C(=O)CSc1ncccc1-c1nc2ccccc2[nH]1
42577 Cc1ccccc1-c1nnc(S)o1
42578 Brc1cnc2nc(CNC(=O)c3ccccc3)[nH]c2c1
42579 COC(=O)c1ccccc1NC(=O)CN1CCN(CC1)C(=O)c1ccco1
42580 CCOc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 |t:15|
42581 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cnc2cc(ccc12)C(F)(F)F
42582 Fc1ccc2n(cnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
42583 Oc1cccc2c1sc1nc3CCCCCn3c(=O)c21
42584 Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)Nc1nccs1
42585 CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1
42586 CCOC(=O)CCCc1sc(N)nc1-c1[nH]c(=O)[nH]c1C
42587 COC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1
42588 Cc1ccc2nc(Cc3ccc(N)cc3)oc2c1
42589 CC(=O)c1sc(Nc2ccccn2)nc1C
42590 COc1cc2nc(C3CCC3)n(NC(=O)COc3ccccc3)c(=O)c2cc1OC
42591 CCOc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)c1
42592 COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)C(=O)c1ccc2OCCOc2c1
42593 [#6]\[#6](-[#7]-[#6]-c1ccco1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
42594 CCOC(=O)c1ccccc1NC(=O)CSc1ncc(C(=O)OCC)c(N)n1
42595 O=C(NC1CCCC1)c1cccnc1N1CCCCCC1
42596 CCOC(=O)c1ccc2[nH]c3c(CCCCC3=O)c2c1
42597 OC(=O)CSc1ccc2ccccc2n1
42598 COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)NC(=O)c1ccccc1C
42599 COC(=O)c1ccccc1NC(=O)CN1CCC(CC1)NC(=O)c1ccc(C)cc1
42600 COC(=O)c1cccc(NC(=O)CN2CCC(CC2)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
42601 [#6]\[#6](-[#7]-[#6]-[#6]-[#6]-n1ccnc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
42602 COc1ccccc1NC(=O)CN1CCC(CC1)n1nnc2cc(F)ccc12
42603 Cn1ncc2c(NCc3ccccc3)ncnc12
42604 CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2ccc(O)cc2)n1
42605 CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
42606 CCOc1ccccc1NC(=O)COc1cccc(c1)-n1cnnn1
42607 CSCCC(Nc1ncnc2ccc(Br)cc12)C(O)=O
42608 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)n1cnc2cc(F)ccc12
42609 C1CN(CCO1)c1nc2ccccc2c2[nH]c3ccccc3c12
42610 CCOC(=O)c1n[nH]c2ccccc12
42611 c1nnc2c1ccc1[nH]n(nc21)-c1ccccc1
42612 CCOC(=O)c1c(C)[nH]sc1=S
42613 C=CCn1c(=S)[nH]c2ccccc2c1=O
42614 COc1ccc(cc1)-c1c2CCCc2[nH]c(=S)c1C#N
42615 Nc1c(sc2nc3CCCCc3c(-c3ccco3)c12)C#N
42616 NC(=O)c1cc(Br)cc2c3CCCCc3[nH]c12
42617 N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1
42618 COc1ccc(CN=C(C)C(C#N)C(N)=O)cc1OC |w:7.6|
42619 CC(=Nc1cccc(F)c1)C(C#N)C(N)=O |w:2.2|
42620 COC(=O)c1cc(Br)c(=O)n(Cc2cccnc2)c1
42621 O=c1[nH]c2ccccc2c2nc3ccccn3c12
42622 C1Cc2[nH]nc(c2C1)-c1ccccc1
42623 Cc1cc(O)ccc1-c1cnc2ccccc2n1
42624 COc1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1
42625 O=C(Nc1ccccn1)c1nc[nH]c1C(=O)c1ccccc1
42626 COC(=O)c1c2CCCCc2nc(N)c1C#N
42627 C(Nc1ncnc2n(ncc12)-c1ccccc1)c1ccccc1
42628 COC(=O)c1cc(Br)c(=O)n(Cc2ccc3OCOc3c2)c1
42629 COc1ccc(cc1OC)C1C(C#N)C(=N)SC(=N)C1C#N
42630 Nc1nc(SCc2ccncc2)c(C#N)c(-c2cccs2)c1C#N
42631 COC(=O)c1ccc(CN2C(=O)C(N=O)c3ccccc23)o1
42632 COC(=O)c1cc(Br)c(=O)n(Cc2ccncc2)c1
42633 COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)c(OC)c2)c1
42634 COC(=O)c1cc(Br)c(=O)n(Cc2ccc(cc2)C(O)=O)c1
42635 CC(Sc1ccc2ccccc2n1)C(O)=O
42636 OC(=O)CCSc1ccc2ccccc2n1
42637 CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1cc2ccccc2nc1N1CCCCC1 |c:5|
42638 CCOc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccccc1OC
42639 COC(=O)c1cc(Br)c(=O)n(c1)-c1nccs1
42640 CC(=Nc1ccc(F)cc1)C(C#N)C(N)=O |w:2.2|
42641 Fc1cccc(c1)C(=O)N1CCCC(C1)C(=O)N1CCCC1
42642 CC(=NC1CCCC1)C(C#N)C(N)=O |w:2.2|
42643 Brc1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
42644 N#CCCSc1ncnc2c3ccccc3oc12
42645 C(Sc1ncnc2c3ccccc3oc12)c1nc2ccccc2[nH]1
42646 Cc1nn(-c2ccccc2C)c2sc(cc12)C(=O)NCc1cccnc1
42647 Cc1nn(-c2ccccc2C)c2sc(cc12)C(=O)N1CCOCC1
42648 Cc1ccc(cc1)C(=O)OCc1cc2ccccc2[nH]c1=O
42649 O=c1n(CCCn2ccnc2)c(nc2ccccc12)-c1ccco1
42650 Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4)CN3)nc2c1 |t:10|
42651 Cc1nc(NCc2ccco2)c(C#N)c2CC(C)(C)OCc12
42652 CCOC(=O)CC(=O)CSc1ncnc2c3ccccc3oc12
42653 COc1ccc(cc1)-c1cnc(N)nc1-c1ccc(OCC(C)=C)cc1O
42654 COc1ccc(C=Nn2c(N)nc3ccccc23)cc1OC |w:7.7|
42655 CCC1S\C(N(C1=O)c1ccc(F)cc1)=C(/C#N)C(N)=O
42656 Clc1cccc2[nH]c3c(ncn(Cc4ccncc4)c3=O)c12
42657 Nc1c(C(=O)NCc2ccc3OCOc3c2)c2nc3ccccc3nc2n1-c1ccc(N)cc1
42658 CC1CCc2nc(N)c(C#N)c(-c3ccncc3)c2C1
42659 O=C1C(C(=O)c2ccccc12)c1ccncc1
42660 Cc1c(oc2ccccc12)-c1nc(N)nc(Nc2ccccc2)n1
42661 CCOc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccccc1
42662 COC(=O)c1ccccc1NC(=O)CSc1ccccn1
42663 COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)N1CCOCC1
42664 COc1cc(ccc1OCc1c(C)noc1C)C(=O)Nc1nccs1
42665 NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO
42666 Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1
42667 CCOc1ccc(cc1Cn1nc(C(O)=O)c2ccccc2c1=O)C(C)=O
42668 CCc1cc2c(nc(SCC(=O)C(C#N)C(C)=N)n(CC=C)c2=O)s1
42669 Cc1cc(NC(=O)COC(=O)c2n[nH]c3ccccc23)no1
42670 COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC
42671 COc1ccc2nc(NC(=O)Cc3ccc(OC)c(c3)S(=O)(=O)N3CCOCC3)sc2c1
42672 NC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCc12
42673 COc1ccc(COC(=O)c2n[nH]c3ccccc23)cc1F
42674 COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
42675 Brc1ccc(o1)C(=O)Nc1nccs1
42676 O=C(C(C#N)c1ccccn1)c1ccco1
42677 COc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1S(=O)(=O)N1CCOCC1
42678 COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC
42679 O=c1cc(nc2[nH]c3ccccc3n12)-c1ccccc1
42680 CCN(CC)S(=O)(=O)c1ccc2nc(COC(=O)c3n[nH]c4ccccc34)[nH]c2c1
42681 COc1ccc(CC(=O)Nc2nc(C)cs2)cc1OC
42682 Cc1cc(C)n(n1)-c1ccc(cc1)C(=O)Nc1sccc1C(N)=O
42683 COc1ccc(cc1COC(=O)c1c(C)noc1C)C(C)=O
42684 O=c1[nH]c2ccccc2c(=O)n1Cc1ccco1
42685 O=C(NCc1ccccn1)c1n[nH]c2ccccc12
42686 O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
42687 COc1ccc(cc1COC(=O)c1cc(C)oc1C)C(C)=O
42688 Cc1sc2nc(SCC(=O)Nc3sccc3C(N)=O)n(CC=C)c(=O)c2c1C
42689 CC(=O)c1c(C)[nH]c(C(=O)OCn2nnc3ccccc3c2=O)c1C
42690 O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
42691 CC(C)n1nc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c2ccccc2c1=O
42692 COC(=O)c1sc(Nc2ccccc2)nc1C
42693 COc1cccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)c1
42694 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC2(CC1)OCCO2
42695 Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC(=O)Nc1ccccn1
42696 c1ccc(cc1)-c1n[nH]c2ccccc12
42697 COc1cc(CN=C(C)C(C#N)C(N)=O)cc(OC)c1OC |w:6.5|
42698 O=C(NCc1cccnc1)c1cccc2CN(C3CCCCC3)C(=O)c12
42699 CCCN1Cc2cccc(C(=O)NCc3ccccc3)c2C1=O
42700 Cc1ccc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)cc1 |c:10|
42701 O=C1C2C(NC(=O)N=C2c2ccccc12)c1ccccc1 |c:7|
42702 Sc1nnc(o1)-c1cccc(Br)c1
42703 CCOc1ccc(CC(=O)Nc2c(oc3ccccc23)C(N)=O)cc1OCC
42704 CCCN1Cc2cccc(C(=O)NCc3ccc4OCOc4c3)c2C1=O
42705 COc1ccc(cc1)C1C(CCC(=O)N1c1ccc(OC)cc1)C(=O)NCc1ccco1
42706 COc1cccc(c1)C1=NOC(C1)C(=O)NC1CCCCC1 |t:9|
42707 CCn1ncc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c1C |t:6|
42708 O=C(N1CCN(CC1)c1ccccc1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
42709 CCn1c(C)cs\c1=N/C(=O)c1ccccc1O
42710 Clc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
42711 Fc1ccccc1N1CCN(CCCNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1
42712 COc1cccc(C2=NOC(C2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)c1OC |t:7|
42713 COCc1cc(C)nc(SCC(=O)Nc2cc3OCOc3cc2C#N)c1C#N
42714 Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
42715 Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
42716 CCn1cc(C2=NOC(C2)C(=O)Nc2ccccc2C(=O)OC)c(C)n1 |t:5|
42717 Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2n[nH]cc2c1=O |(3.08,-1.87,;4.41,-2.64,;4.41,-4.18,;5.75,-4.95,;7.08,-4.18,;7.08,-2.64,;5.75,-1.87,;5.75,-.33,;7.08,.44,;8.41,-.33,;9.75,.44,;11.08,-.33,;11.08,-1.87,;12.42,-2.64,;12.42,-4.18,;13.75,-1.87,;15.13,-2.7,;16.52,-1.91,;16.52,-.3,;15.13,.49,;13.75,-.33,;12.42,.44,;7.08,1.98,;5.75,2.75,;5.43,4.24,;3.9,4.4,;3.28,3,;4.41,1.98,;4.41,.44,;3.08,-.33,)|
42718 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(cc1)C(C)=O |t:9|
42719 COc1ccc(cc1OC)C1=NOC(C1)C(=O)Nc1ccc(cc1)C(C)=O |t:11|
42720 COc1cc(cc(OC)c1OC)C(=O)NCc1cn2ccccc2n1
42721 O=C1CCCc2nn(c(c12)-c1ccncc1)-c1ccccc1
42722 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1ccc(OC)c(OC)c1 |t:9|
42723 [#8]-c1ccccc1-[#7]\[#6]=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
42724 CC(C)OC(=O)c1c(C)oc2ccc(OCC(N)=O)cc12
42725 COc1ccc(NC(=O)CCCCn2c(=O)[nH]c3ccccc3c2=O)cc1
42726 CCOc1ccc(cc1)C1CC(=O)NC2=C1C(=O)CCC2 |c:15|
42727 COc1cccc(C2=NOC(C2)C(=O)Nc2cccc(c2)C(C)=O)c1OC |t:7|
42728 O=C1Nc2ccccc2C1C=Nc1nccs1 |w:11.13|
42729 O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCOCC1 |(7.08,3.08,;7.08,1.54,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;12.42,-1.54,;13.75,-.77,;13.75,.77,;12.42,1.54,;15.08,1.54,;16.42,.77,;17.79,1.59,;19.19,.8,;19.19,-.8,;17.79,-1.59,;16.42,-.77,;15.08,-1.54,;15.08,-3.08,;9.75,-1.54,;8.41,-.77,;5.75,.77,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;3.08,.77,;4.41,1.54,)|
42730 COc1ccc(NC(=O)C2CC(=NO2)c2ccc(OC)c(OC)c2)cc1OC |c:11|
42731 On1c2c3ccccc3c(N=O)c2nc2ccccc12
42732 CC(C(O)=O)n1nc(C)c2sc3ccccc3c2c1=O
42733 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
42734 [#6]-[#7]-1-[#6](-[#6])=[#6]\[#6](-[#6]=[#6]-1-[#6])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
42735 COC(=O)c1ccccc1NC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:16|
42736 Fc1ccc2nc3[nH]c4ccccc4c3nc2c1
42737 COc1cc(cc(OC)c1OC)C(=O)NCc1cn2ccsc2n1
42738 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cc(OC)c(OC)c(OC)c1 |t:9|
42739 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccco1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |t:1,4|
42740 CCOC(=O)C1CCN(CC1)C(=O)CCCCn1c(=O)[nH]c2ccccc2c1=O
42741 Clc1ccc2c(c1)[nH]c(=O)n(CCCC(=O)NCC1CCCO1)c2=O
42742 Fc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc(cc1)C#N |t:8|
42743 CCc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)n[nH]2)nc2n[nH]cc2c1=O
42744 Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)NCc1ccco1
42745 Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)[nH]n1 |t:9,18|
42746 O=C1Nc2cccnc2Sc2ccccc12
42747 CCOc1ncccc1C(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)S(=O)(=O)CCO
42748 CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCCN1CCOCC1
42749 Cc1ccnc(NC(=O)CSc2cc(=O)n(C)c3ccccc23)c1
42750 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cccc(c1)C(C)=O |t:9|
42751 O=C(CCCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NCc1ccco1
42752 O=C(CCCCCn1c(SCc2ccncc2)nc2ccccc2c1=O)NCc1ccco1
42753 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1nncs1 |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|
42754 Nc1nc(cc(n1)-c1ccccc1O)-c1ccccc1
42755 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|
42756 CCOc1ccccc1NC(=O)CSc1nc(N)c(cc1C#N)C#N
42757 Cc1ccccc1Nc1nn2c(nc3ccccc3c2=O)s1
42758 CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(=O)NCc1ccco1
42759 Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3C(F)(F)F)c2n1
42760 CCCc1cc(=O)n2c(n1)[nH]c1ccccc21
42761 Brc1ccc(o1)C(=O)NCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
42762 COc1ccccc1NC(=O)COc1ccc(CO)cc1Cl
42763 Brc1ccc(o1)C(=O)Nc1ccccc1N1CCCC1
42764 O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NCc1ccco1
42765 COC(=O)c1ccccc1NC(=O)C1CC(=NO1)c1ccccc1O |c:16|
42766 CCOC(=O)c1c([nH]c2ccc(O)cc12)-c1ccccc1
42767 COC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
42768 COC(=O)c1sccc1NC(=O)c1ccco1
42769 Oc1ccccc1C1=Nc2ccccc2N=C(C1)c1ccco1 |c:17,t:8|
42770 COC(=O)c1sccc1NC(=O)c1csc(C)c1
42771 Cn1nnnc1SCc1ccc(cc1)C(=O)Nc1nccs1
42772 O=C(Nc1cccc2C(=O)NC(=O)c12)C1CCCO1
42773 CCCCC(=O)Nc1sc2CCCc2c1C(N)=O
42774 CCCn1cc(NC(=O)C2CC(=NO2)c2cccc(Br)c2)cn1 |c:11|
42775 CC1NC(=O)NC1CCCCCC(=O)Nc1ccc(C)cc1
42776 Fc1cccc(Nc2cc(ncn2)-n2cccn2)c1
42777 COC(=O)c1sccc1NC(=O)CN1CCN(CC1)c1ccc(F)cc1
42778 COC(=O)c1ccccc1NC(=O)NCc1cccnc1
42779 CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
42780 COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1
42781 N(c1ccccn1)c1ccccc1Nc1ccccn1
42782 c1csc(c1)-c1cnc2ccccc2n1
42783 NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCc12
42784 CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
42785 Nc1nc2CCCCCc2c(-c2ccco2)c1C#N
42786 COCCNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 |(3.08,.77,;4.41,1.54,;5.75,.77,;7.08,1.54,;8.41,.77,;9.75,1.54,;9.75,3.08,;11.08,.77,;12.42,1.54,;13.75,.77,;13.75,-.77,;15.08,-1.54,;16.42,-.77,;16.42,.77,;15.08,1.54,;17.75,1.54,;19.08,.77,;20.46,1.59,;21.86,.8,;21.86,-.8,;20.46,-1.59,;19.08,-.77,;17.75,-1.54,;17.75,-3.08,;12.42,-1.54,;11.08,-.77,)|
42787 COC(=O)c1ccsc1NC(=O)CN1CCN(CC1)c1ccc(F)cc1
42788 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)CSc1ccc(Cl)cc1
42789 CCOC(=O)c1c(CC(C)C)csc1NC(C)=O
42790 COc1ccc(OC)c(Nc2nc(N)nc(n2)-c2cc3ccccc3o2)c1
42791 Fc1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1
42792 Cc1ccccc1NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1
42793 CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1
42794 Brc1ccc(o1)C(=O)Nc1ccccc1N1CCOCC1
42795 Brc1ccccc1OCc1ccc(o1)C(=O)Nc1cccnc1
42796 COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(OC)c1OC
42797 Cn1c2c3cnc4ccccc4n3c(-c3ccccc3)c2c(=O)n(C)c1=O
42798 COc1ccccc1-c1nnc(S)o1
42799 NC(=O)c1ccsc1NC(=O)COc1ccccc1
42800 CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
42801 Cc1nn(C)cc1CNC(=O)c1cnn2c(cc(nc12)C1CC1)C(F)F
42802 N#CCCC12CCCCC1=Nc1ccccc21 |c:10|
42803 O=c1[nH]c(=S)c2CCCc2n1-c1ccccc1
42804 COC(=O)c1sccc1NC(=O)c1ccncc1
42805 COC(=O)c1sccc1NC(=O)C1CC=CCC1C(O)=O |c:15|
42806 Cc1cccc(c1)-n1ncc2c(NCc3cccs3)ncnc12
42807 CCOC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1
42808 NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1
42809 CCOc1ccc(cc1C)S(=O)(=O)n1nnc2ccccc12
42810 Fc1cc2nccnc2cc1N1CCSCC1
42811 O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
42812 C(Nc1ncnc2n(ncc12)-c1ccccc1)c1ccco1
42813 CCOC(=O)N1CCN(CC1)C(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 |(3.08,-.77,;4.41,-1.54,;5.75,-.77,;7.08,-1.54,;7.08,-3.08,;8.41,-.77,;9.75,-1.54,;11.08,-.77,;11.08,.77,;9.75,1.54,;8.41,.77,;12.42,1.54,;12.42,3.08,;13.75,.77,;15.08,1.54,;16.42,.77,;16.42,-.77,;17.75,-1.54,;19.08,-.77,;19.08,.77,;17.75,1.54,;20.42,1.54,;21.75,.77,;23.13,1.59,;24.52,.8,;24.52,-.8,;23.13,-1.59,;21.75,-.77,;20.42,-1.54,;20.42,-3.08,;15.08,-1.54,;13.75,-.77,)|
42814 CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)Cc1ccccc1
42815 COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1
42816 CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1
42817 COc1ccc(Cl)cc1-c1nnc(S)o1
42818 O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(CC1)c1ccccc1 |(11.08,3.47,;11.08,1.93,;12.42,1.16,;13.75,1.93,;15.08,1.16,;15.08,-.39,;16.42,-1.16,;17.75,-.39,;17.75,1.16,;16.42,1.93,;19.08,1.93,;20.42,1.16,;21.8,1.98,;23.19,1.19,;23.19,-.42,;21.8,-1.21,;20.42,-.39,;19.08,-1.16,;19.08,-2.7,;13.75,-1.16,;12.42,-.39,;9.75,1.16,;8.41,1.93,;7.08,1.16,;7.08,-.39,;8.41,-1.16,;9.75,-.39,;5.75,-1.16,;4.41,-.39,;3.08,-1.16,;3.08,-2.7,;4.41,-3.47,;5.75,-2.7,)|
42819 CCOC(=O)c1ccccc1NC(=O)COc1ccccc1
42820 COC(=O)c1cccc(Cn2nnc3ccccc3c2=O)c1
42821 CNC(=O)c1nc[nH]c1C(=O)Nc1cccc(OC)c1
42822 CCCCC(=O)Nc1ncc(Br)s1
42823 COC(=O)c1c(C)c(C)sc1NC(=O)Cc1cccs1
42824 O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
42825 Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|
42826 c1ccc2c(c1)[nH]c1nc3ccccc3nc21
42827 COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1
42828 CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
42829 CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1
42830 Cc1nc(CSc2nc3n[nH]cc3c(=O)n2-c2ccccc2)cs1
42831 O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(CC1)c1ccccc1 |(11.08,3.47,;11.08,1.93,;12.42,1.16,;13.75,1.93,;15.08,1.16,;15.08,-.39,;16.42,-1.16,;17.75,-.39,;17.75,1.16,;16.42,1.93,;19.08,1.93,;20.42,1.16,;21.8,1.98,;23.19,1.19,;23.19,-.42,;21.8,-1.21,;20.42,-.39,;19.08,-1.16,;19.08,-2.7,;13.75,-1.16,;12.42,-.39,;9.75,1.16,;8.41,1.93,;7.08,1.16,;7.08,-.39,;8.41,-1.16,;9.75,-.39,;5.75,-1.16,;4.41,-.39,;3.08,-1.16,;3.08,-2.7,;4.41,-3.47,;5.75,-2.7,)|
42832 COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1
42833 Cc1cc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)no1 |c:9|
42834 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
42835 Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(CC4)c4ccccn4)c3c2c1
42836 CCc1cc(=O)oc2cc(C)cc(O)c12
42837 COCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
42838 CCOc1ccc(NC(=O)CN2C(=O)C3CCCN3C2=O)cc1
42839 O=C(N1CCN(CC1)c1ccccn1)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
42840 CC(=O)Oc1ccc(cc1)C(=O)Nc1nccs1
42841 COc1ccc(CNC(=O)c2cnn3c(cc(C)nc23)C(F)F)cc1OC
42842 CNC(=O)c1ccsc1NC(=O)c1ccccc1
42843 COC(=O)c1ccsc1NC(=O)C1COc2ccccc2O1
42844 COc1ccc(cc1OC)C(=O)NCc1nc2ccccc2[nH]1
42845 O=C(Nc1ccc(cc1)-c1nc2cccnc2s1)c1ccco1
42846 COC(=O)c1ccsc1NC(=O)C1=COCCO1 |t:13|
42847 CCCC(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O
42848 NC(=O)c1ccsc1NC(=O)c1ccco1
42849 COc1cccc(c1)C(=O)Nc1c(oc2ccccc12)C(N)=O
42850 NC(=O)c1ccsc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
42851 NC(=O)c1ccsc1NC(=O)C1CCCCC1
42852 NC(=O)c1ccsc1NC(=O)C1CC1
42853 NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1
42854 CCn1c(nc2ccccc12)C(C)NC(C)=O
42855 NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1
42856 NC(=O)c1ccsc1NC(=O)c1cccs1
42857 O=C(NCc1nc2ccccc2[nH]1)c1cccs1
42858 Cc1nc(SCCC(O)=O)c2ccccc2n1
42859 COC(=O)c1sccc1NC(=O)c1ccc(Br)o1
42860 COC(=O)c1c(NC(=O)CN2CCOCC2)scc1-c1cccs1
42861 Cc1cn(cn1)S(=O)(=O)c1ccc(Br)c2ccccc12
42862 C1COc2cc3c(onc3cc2O1)-c1ccccc1
42863 Brc1ccc2nc3CCCCc3n2c1
42864 COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OC1CCCC(C)C1 |t:14|
42865 CC1=NC(=O)NC(C1C(=O)OC1CCCCCCC1)c1ccc(O)cc1 |t:1|
42866 CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)c3ccccc3C2=O)cc1)C(=O)OCC
42867 COC(=O)c1ccccc1NC(=O)COc1ccccc1
42868 [#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:2,5|
42869 [#6]\[#6](-[#7]-[#6]-c1cccnc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
42870 Cc1cc(C)n(n1)-c1cc(Nc2ccc(C)cc2)ncn1
42871 Clc1ccc2[nH]c-3c(CCc4c[nH]nc-34)c2c1
42872 O=[#6]-1\[#6](=[#6]/[#7]-[#6]-c2cccnc2)-[#6](=O)-c2ccccc-12
42873 Cc1cc(C)n(n1)-c1cc(Nc2ccc(C)cc2C)ncn1
42874 Cc1cccc(N=CC2C(=O)Nc3ccccc23)n1 |w:6.5|
42875 O=C1Nc2ccccc2C1C=Nc1ccc2OCOc2c1 |w:11.13|
42876 CC1(C)Cc2c(CO1)c(nc(SCC(=O)c1ccccc1)c2C#N)N1CCOCC1
42877 O=NC1c2ccccc2-c2c1cccc2C(=O)N1CCCCC1
42878 COc1cccc2c(O)c(C\C=C(\C)Cl)c(C)nc12
42880 COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1 |t:14|
42881 COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(O)c(OC)c2)cc1 |c:15|
42882 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)cc12
42883 O=c1n(Cc2cccnc2)c(=S)[nH]c2ccccc12
42884 O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
42885 CCc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1cc(C)on1
42886 CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C
42887 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)=O
42888 CCN(CC)CCN(Cc1cc2cc3OCCOc3cc2[nH]c1=O)C(=O)NC1CCCCC1
42889 O=C(Nc1cccc(NS(=O)(=O)c2ccc(cc2)S(=O)(=O)NC2CC2)c1)c1ccccn1
42890 CCn1c(SCC(O)=O)nnc1C1CCCCC1
42891 COC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
42892 COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)c2ccco2)cc1OC
42893 COc1ccc(cc1)C(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
42894 CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
42895 Cc1cccc2cc(CN(Cc3nnnn3C3CCCC3)Cc3ccc4OCOc4c3)c(=O)[nH]c12
42896 CCS(=O)(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1 |(9.68,.83,;11.01,1.6,;11.01,3.14,;9.47,3.14,;12.55,3.14,;11.01,4.68,;12.34,5.45,;12.34,6.99,;11.01,7.76,;9.68,6.99,;9.68,5.45,;11.01,9.3,;12.34,10.07,;12.34,11.61,;11.01,12.38,;9.68,11.61,;9.68,10.07,;11.01,13.92,;12.34,14.69,;12.34,16.23,;11.01,17,;9.68,16.23,;9.68,14.69,)|
42897 CC(C)n1c(SCC(=O)NCc2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
42898 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc(C)cc(C)c1C#N)C(C)=O
42899 CCOC(=O)C1C(N=C(SCC(O)=O)N=C1C)c1ccccc1 |c:14,t:7|
42900 O=S(=O)(c1nc(oc1N1CCOCC1)-c1ccco1)c1ccccc1
42901 CCCCCCN1C(=O)NC(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |w:13.13|
42902 NC1=NON(O)C1C(=N)N=O |t:1|
42903 CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1
42904 Cc1cc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)ccc1Cl
42905 CCCCSc1nnc(o1)[C@H](C)NC(=O)OC(C)(C)C
42906 Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1
42907 Cc1csc(n1)C(C#N)C(=O)c1ccncc1
42908 Clc1ccc(cc1)-c1nnc2sc(nn12)-c1ccc(Br)o1
42909 CCN(CC)C(=O)CSc1nc2ncccc2[nH]1
42910 Cc1cc(C)n(n1)-c1nc(SCC(=O)Nc2nccs2)c2c3CC(C)(C)OCc3sc2n1
42911 C(c1cccs1)c1nn2c(nnc2s1)-c1n[nH]c2CCCc12
42912 Fc1ccc(cc1)C(=O)CSc1nnc(Cc2cccs2)n1CC=C
42913 O=c1n(CCCN2CCOCC2)c(nc2ccccc12)-c1ccccc1
42914 CCc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
42915 CCOC(=O)c1ccc(NC(=O)CCc2nc(no2)-c2ccc(C)cc2)cc1
42916 C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)CN1CCOCC1
42917 O=c1cc(Cn2ccnc2)c2cc3CCCc3cc2o1
42918 CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C
42919 Cc1cc(C)c(cc1C)C(=O)CSc1nnc(o1)-c1ccccc1Br
42920 Nc1nc(cs1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
42921 Cc1ccccc1Nc1nc(N)nc(CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)n1
42922 CCOC(=O)c1s\c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)n(C)c1C
42923 COc1cc(cc(OC)c1OC)C(=O)CSc1nc2ccccc2o1
42924 C=CCn1c2nnc(SCC(=O)c3ccccc3)n2c2ccccc2c1=O
42925 Cn1c(nc2ccccc12)C(C#N)C(=O)COc1ccc2ccccc2c1
42926 CCOCCCNCc1ccc(OC)c(OC)c1
42927 CCOC(=O)c1s\c(=N\C(=O)c2cccc(OC)c2)n(C)c1C
42928 Clc1ccc2[nH]c(=S)[nH]c2c1
42929 COc1ccc(cc1OC)C1Cc2[nH]c(C(=O)OC(C)C)c(C)c2C(=O)C1
42930 Cc1c(sc2nc(cn12)-c1ccc(F)cc1)C(=O)Nc1cccc(C)n1
42931 COc1cccc2sc(nc12)N1CCN(CC1)c1nc2ccccc2s1
42932 CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC)c(OC)c2)n(C)c1C
42933 CN(CP(O)(=O)CN(C)S(C)(=O)=O)S(C)(=O)=O
42934 Fc1ccccc1Cn1nnc2c(SCC(=O)N3CCN(CC3)c3ccccc3)ncnc12
42935 COc1ccc(cc1)C(=O)C(C)(C)NO
42936 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2nnc(s2)C(C)(C)C)C1=O |c:5,TLB:9:8:2:5.6,THB:25:7:2:5.6|
42937 CCOC(=O)C1CCCN(C1)S(=O)(=O)c1cc(Br)cc2CCN(C(=O)C3CC3)c12
42938 CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCC(C)CC1
42939 CCCNC(=O)C(CC)NS(=O)(=O)c1ccc(OC)cc1
42940 Clc1cccc2sc(nc12)N1CCN(CC1)c1ccccc1
42941 FC(F)(F)c1cccc(NS(=O)(=O)c2cnc[nH]2)c1
42942 Fc1ccc(cc1)-n1nnc2c(SCC(=O)NCc3ccco3)ncnc12
42943 Cn1cccc1-c1nc2ccc(NC(=O)c3ccccc3)cc2[nH]1
42944 FC(F)(F)c1cccc(c1)C(=O)Nc1cnccn1
42945 Brc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1
42946 Nc1nc2ccc(cc2s1)N1CCOCC1
42947 Cc1nn(C2CCCC2)c2[nH]c(=O)cc(C)c12
42948 CS(=O)(=O)N(CC(=O)NCc1ccncc1)Cc1ccc(Cl)cc1
42949 COc1ccccc1OCc1nc2ccccc2[nH]1
42950 CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1 |t:10,18|
42951 O=C(CSc1nnnn1Cc1ccccc1)NCC(=O)c1ccccc1
42952 COc1cnn(-c2ccccc2)c(=O)c1N(C)C
42953 CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(cc2)C(C)=O)[nH]c1=O
42954 Fc1c(F)c(F)c(C(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)c(F)c1F
42955 CCOc1cccc2cc(C(=O)Nc3cc(C)on3)c(=O)oc12
42956 COc1ccccc1C(=O)Nc1cccc(c1)-c1cn2ccsc2n1
42957 COc1ccc(cc1OC)-c1noc(n1)-c1ccc(Br)o1
42958 COc1ccccc1C(=O)Nc1ccccn1
42959 COc1ccc(OC)c(NC(=O)CSc2nnc(N)s2)c1
42960 CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1
42961 O=c1[nH]n(-c2ccccc2)c(=O)c2ccccc12
42962 CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1
42963 CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)n[nH]c1C
42964 CCN1CCCC1CNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
42965 COc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1OC
42966 COc1ccc(OC)c2n(C)\c(=N\C(=O)C(C)(C)C)sc12
42967 CCc1nnc(NC(=O)CSc2ncnc3c4ccccc4oc23)s1
42968 O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2OCOc2c1
42969 CC(=O)CCc1ccc(OC(=O)c2cccnc2)cc1
42970 Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCCN1CCOCC1
42971 O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccc1
42972 CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F |(3.08,-.77,;4.41,,;3.64,1.33,;5.18,-1.33,;5.75,.77,;7.08,,;7.08,-1.54,;8.41,.77,;9.75,,;11.08,.77,;11.08,2.31,;12.42,3.08,;12.42,4.62,;13.75,2.31,;13.75,.77,;15.08,,;12.42,,;12.42,-1.54,;13.75,-2.31,;13.75,-3.85,;12.42,-4.62,;11.08,-3.85,;11.08,-2.31,;9.75,-1.54,)|
42973 COc1ccc(cc1)-c1noc(Cc2ccccc2OC)n1
42974 COc1ccc(NCCNc2ccc(OC)cc2)cc1
42975 CCOC(=O)c1sc2nccc(N(C)C)c2c1\N=C\N(C)C
42976 Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O
42977 COC(=O)c1ccc(s1)S(=O)(=O)c1ccc(s1)C(=O)OC
42978 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6]-[#6]=[#6])-[#6]=[#6]-1)\C#N |c:9,15|
42979 COCc1c(nnn1-c1ccccc1)C(=O)OC
42980 COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
42981 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(N)=O
42982 CC(C)OC(=O)CSc1nc2cc3OCOc3cc2cc1C#N
42983 [H]C12CCC([H])(CC(O)(C1)c1ccc(F)cc1)N2C(=O)C(C)C |TLB:8:7:17:2.3,THB:10:7:17:2.3|
42984 Cc1ccc(CSc2nc3CCCc3cc2C#N)cc1
42985 CCOC(=O)c1c(C)c(sc1NC(=O)Cc1cccs1)C(=O)NC1CCCC1
42986 CSC1=NC(C)(C)CC2(CC(Oc3cc(O)ccc23)c2ccccc2)N1 |t:2|
42987 CCc1nc(SCc2ccc(F)cc2)[nH]c(=O)c1C#N
42988 CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
42989 CCOC(=O)C1=NN(C2=NC(C)=C(C(N12)c1cccs1)C(=O)OC)c1cccc(Cl)c1 |c:11,t:5,8|
42990 N#Cc1cc2CCCc2nc1SCc1ccccc1
42991 Clc1ccccc1-c1nc(c(CC(=O)Nc2ccccc2)s1)-c1ccccc1
42992 Cc1ccc(cc1)-n1nccc1-c1cc(Cl)sc1Cl
42993 CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3CCc4cccc2c34)cc1
42994 CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)c1C#N
42995 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
42996 Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccc(Cl)cc3)c12
42997 C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21)c1ccccc1
42998 COc1ccc(cc1)C(=O)Nc1cc(C)c2c(n1)c1ccccc1oc2=O
42999 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(N)=O
43000 CSCCNC(C)=O
43001 [O-][N+](=O)c1ccc(NC(=O)C(\NC(=O)C2CCCCC2)=C\c2cccc(c2)[N+]([O-])=O)cc1
43002 COc1cc(ccc1OCc1ccccc1)C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N |c:36|
43003 Cc1nn(c2CCc3cnc(nc3-c12)N1CCOCC1)-c1ccccn1
43004 COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccc(O)cc1
43005 CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2OCOc2c1
43006 CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(F)cc3)c2c1C
43007 COc1cccc2s\c(=N/C(=O)c3ccc(Cl)s3)n(CC#C)c12
43008 CCN(CC)CCn1c(NC(=O)c2ccc(Cl)cc2)nc2ccccc12
43009 CCN(CC)CCCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1
43010 COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2OC)n1
43011 COc1ccccc1CNC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
43012 COc1cccc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(-c3ccccc3)c2=O)c1 |w:11.13|
43013 COc1ccc(cc1)-c1cc(-c2cccs2)c(C#N)c(SCC(=O)NCc2ccccc2)n1
43014 COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1
43015 CCOc1nc(ccc1-c1noc(n1)-c1cccs1)-c1ccccc1
43016 Cc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1
43017 Cc1cc(C)c(C#N)c(SCc2cc3OCOc3cc2Cl)n1
43018 CCCn1c(NC(=O)c2ccc(Br)cc2)nc2ccccc12
43019 O=C(CC1CCCC1)Nc1ccc2CCCc2c1
43020 Cc1nn(-c2ccc(Cl)cc2)c2sc(cc12)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
43021 COC(=O)c1sccc1NC(=O)c1ccc(Br)s1
43022 CCOc1cccc(c1)C(=O)Nc1nnc(s1)-c1cccs1
43023 Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cc2ccccc2o1
43024 Fc1ccccc1CSc1nc2ncc(Br)cc2[nH]1
43025 CC(C)CCNC(=O)NC(=O)COC(=O)\C=C\c1cnc2ccccc2n1
43026 COc1ccccc1CN(C)C(=O)c1ccc2SCC(=O)Nc2c1
43027 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)C#N |w:4.3|
43028 Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1
43029 COC(=O)c1cnn(c1C)-c1nc2c(C)cccc2s1
43030 Cc1ccc(cc1)N=Nc1c(N)n([nH]c1=O)-c1ccccc1 |w:8.9|
43031 COc1ccc(NC(=O)CSc2ccc3-c4ccccc4C(=O)c4cccc2c34)cc1
43032 Cc1c(Cl)cccc1NC(=O)C1S\C(=N/c2ccccc2)C(=C1N)c1nc2ccccc2s1 |c:23|
43033 CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)c(C#N)c(=O)n12
43034 CN(C)c1ccc(cc1)\N=C\C=C1/N(C)c2ccccc2C1(C)C
43035 O=C(Nc1ccc2oc(nc2c1)-c1ccc2ccccc2c1)c1ccc2OCCOc2c1
43036 CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
43037 FC(F)(F)c1cnc(NCCn2c3ccc(Cl)cc3nc(Cl)c2=O)c(Cl)c1
43038 Cc1cc(Cl)ccc1Oc1ncnc2oc(cc12)-c1ccccc1
43039 Fc1ccc(Oc2nc(ccc2C#N)-c2ccc(Cl)cc2)cc1
43040 Cc1c(sc(NC(=O)COc2ccccc2C)c1C#N)C(=O)Nc1cccc(C)c1C
43041 O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1
43042 O=C(CSc1nc(ccc1C#N)-c1ccccc1)c1cc2ccccc2oc1=O
43043 COc1cc(cc(OC)c1OC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)C(=S)N1CCOCC1
43044 CCc1ccc2c(c1)cc(CN(C1CC1)C(=S)Nc1ccc(Cl)cc1)c1nnnn21
43045 COc1ccc2sc3c(c2c1)c1ccccc1[nH]c3=O
43046 COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)c2c1
43047 N#Cc1c(SCc2nnc(o2)-c2ccccc2)nc(cc1-c1ccccc1)-c1ccccc1
43048 COc1ccc(cc1OC)C1(CNC(=O)\C=C/c2ccco2)CCCC1
43049 NS(=O)(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2)cc1
43050 Oc1ccc(C=NNC(=O)c2csc3ccccc23)cc1 |w:6.6|
43051 COc1cccc(C=NNC(=O)c2csc(n2)-n2nc(C)cc2C(F)(F)F)c1 |w:8.8|
43052 CC(=NOCc1ccc(F)cc1Cl)c1ccc(CC#N)s1 |w:2.2|
43053 Cn1c2ccccc2nc(Oc2cc(Cl)cc(Cl)c2)c1=O
43054 Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccccc1
43055 Clc1ccc(cc1)-c1ncc(s1)C(=O)c1ccc(Cl)cc1Cl
43056 Clc1ccc(-c2csc(n2)-c2ccc(cc2)C(=O)NCC=C)c(Cl)c1
43057 FC(F)(F)c1cccc(c1)C(=O)N1CCN(CC1)c1cc(=O)[nH]nc1-c1ccccc1
43058 FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12
43059 Fc1ccc(cc1)-c1cc(n2ncc(c2n1)S(=O)(=O)c1ccccc1)C(F)(F)F
43060 Cn1nc(c(C(=O)Nc2ccc(cc2)C(F)(F)F)c1Cl)-c1ccccc1
43061 CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC |w:10.10|
43062 Cc1ccc2nc(SCC(=O)NCc3cccs3)c(cc2c1)C#N
43063 CCc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
43064 CCOc1ccc(cc1C)-c1nn(cc1C=C1SC(N)=NC1=O)-c1ccccc1 |w:15.16,c:21|
43065 Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1
43066 CCOC(=O)CC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
43067 Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3cccnc3)cc2)cc1
43068 Cc1ccc(C=C2SC(N)=NC2=O)s1 |w:5.4,c:9|
43069 Cc1ccc(cc1)-c1cc(-c2ccccc2)c(C#N)c(Br)n1
43070 O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1ccccc1
43071 Clc1ccc(cc1)-n1c(=O)[nH]c2nc(SCc3ccccc3)ncc2c1=O
43072 Cc1ccc(OCC(=O)NNC(=O)C(=O)NC(C)(C)C)cc1
43073 COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1
43074 Brc1ccc(\C=N\c2ccc(Nc3ccccc3)cc2)s1
43075 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O |w:11.11|
43076 Cc1cc(C)c2C3C=CCC3C(Nc2c1)c1cc2OCOc2cc1Br |c:7|
43077 Cc1c(NC(=S)Nc2c(C)cccc2C)c(=O)n(-c2ccccc2)n1C
43078 CCOC(=O)c1ccccc1NC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12
43079 COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)-c2ccc(C)cc2)cc1
43080 COc1ccc(cc1OC)C(=O)NCC(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
43081 COc1cc2CC(C)(C)N=C(Nc3ccc(cc3)S(N)(=O)=O)c2cc1OC |t:9|
43082 CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
43083 CCOC(=O)c1c(NC(=O)C(C)Sc2cn(C)c3ccccc23)sc2CCCc12
43084 O=C(COc1cccc2C(=O)N(Cc3ccccc3)CCc12)N1CCCc2ccccc12
43085 COc1ccc(cc1)-c1[nH]c2ccccc2c1SCCNC(=O)c1ccccc1
43086 Clc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
43087 Fc1ccc(CN(C2=NC3CS(=O)(=O)CC3S2)c2ccccc2F)c(Cl)c1 |t:7|
43088 Clc1c(sc2ccccc12)C(=O)OCC(=O)NC1CCCCC1
43089 COc1ccc(Nc2nc(c(Cl)s2)S(=O)(=O)c2ccc(C)cc2)cc1
43090 CCOCCn1c2ccc(cc2s\c1=N/C(=O)c1cc(Cl)sc1Cl)S(N)(=O)=O
43091 CCOC(=O)Cn1c2ccc(cc2s\c1=N/C(=O)c1sc2ccccc2c1Cl)S(N)(=O)=O
43092 COc1cccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c1
43093 Cc1cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C
43094 Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1
43095 CN1C(=S)N(C)\C(=C/c2cc(C)n(C3CC3)c2C)C1=O
43096 CCOC(=O)COc1ccc(\C=C2/NC(=S)N(CC)C2=O)cc1
43097 Clc1c(sc2ccccc12)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
43098 Cn1ncc(c1C(=O)N\N=C\c1ccc(F)cc1)[N+]([O-])=O
43099 CC(C)CNC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1
43100 O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)NCCc1ccccc1
43101 CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC
43102 null
43103 Cc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
43104 CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)c1
43105 Cc1cc(C(=O)COc2c(CO)cc(F)cc2CO)c(C)n1-c1ccc(C)c(C)c1
43106 CC(Sc1cc(cn2c1nc1sc(C)c(C)c1c2=O)C(=O)c1ccccc1O)C(O)=O
43107 CC(C)NC(=O)NC(=O)CSc1ccccc1F
43108 CN1C(=O)\C(=N/NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc12
43109 Cc1ccc(cc1)-n1c(O)c2CCC(Cc2c1O)c1ccccc1
43110 CCn1cc(\C=C\C(=O)Nc2ccn(Cc3c(F)c(F)c(F)c(F)c3F)n2)cn1
43111 Cc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;9.75,2.07,;10.99,1.17,;10.52,-.3,;8.98,-.3,)|
43112 CC1=NN(C(=O)Cn2ccc(n2)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:1|
43113 Cc1cc(cs1)C(=O)NN=Cc1c[nH]nc1-c1ccccc1 |w:9.9|
43114 CCN(CC)c1ccc(C=Nc2cc(C)ccc2C)c(O)c1 |w:10.10|
43115 Clc1ccc(CNC(=S)Nc2ccccc2)c(Cl)c1
43116 CCc1cc2c(cc1OC(C)C(=O)NCCO)occ(-c1nc(C)cs1)c2=O
43117 OC(C#CCN1CCCC1)(c1ccccc1)c1cccc(F)c1
43118 CCOC(=O)n1cc(-c2cnc(CNC(=O)C(C)(c3ccccc3)c3ccccc3)o2)c2ccccc12
43119 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(cc1)C(F)(F)F |c:9|
43120 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1 |c:9|
43121 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1csc2ccccc12)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 |c:5|
43122 O=c1oc2ccccc2cc1-c1cn2ccccc2n1
43123 COc1ccc(cc1)-c1cc(C(F)F)n2ncc(C(=O)N3CCCc4ccccc34)c2n1
43124 Brc1ccc(cc1)-n1c(CNC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)n[nH]c1=S
43125 CC(=O)N1CCN(CC1)c1ccc(NC(=O)\C=C\c2ccccc2)cc1
43126 Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCOc1ccccc1
43127 CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3cccs3)cc2)s1 |w:20.19|
43128 Clc1cccc2c(Br)ccc(SCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)c12
43129 CCn1cc(cn1)S(=O)(=O)Nc1ccccc1C(F)(F)F
43130 CCn1cc(CNCc2cn(C)nc2-c2ccc(cc2)C2CCCCC2)cn1
43131 COc1ccccc1C(=O)C1CCCN(C1)C(=O)CSc1ccccn1
43132 Cc1ccc(cc1)-c1csc(NC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)n1
43133 Cc1ccc(cc1)S(=O)(=O)NC(=O)COc1ccccc1
43134 COc1ccc(cc1)S(=O)(=O)Nc1c(F)cccc1F
43135 CN1CCS\C1=C/C=C1\SC(=S)N(CC(O)=O)C1=O
43136 COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1
43137 Brc1ccc(o1)C(=O)NC(=S)Nc1ccccc1
43138 Cc1nn(Cc2c(F)cccc2Cl)c(C)c1[N+]([O-])=O
43139 Cc1nnc(=O)[nH]c1N=NCc1cccs1 |w:8.8|
43140 COc1ccc(cc1OC)-n1c(=O)c(\C=[NH+]\NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2cccc[c-]2c1=O
43141 CC(N=Nc1nc2ccccc2s1)c1ccc(Br)s1 |w:3.3|
43142 CCCCOc1ccc(cc1)C(=O)N\C(=C\C=C\c1ccccc1)C(O)=O
43143 Cn1c2ncn(CCN=C3CCCCCN3)c2c(=O)n(C)c1=O |w:8.7|
43144 COc1ccc(cc1)C(N)=NOC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 |w:10.11|
43145 COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cccc(F)c3)n2C)cc1
43146 Oc1ccc(NCc2cccc(OCc3ccc(F)cc3)c2)cc1
43147 Cc1ccc(-c2ccc(\C=C(/C#N)C(N)=S)o2)c(c1)[N+]([O-])=O
43148 CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
43149 Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)OCc2cccnc2)c(Cl)c1
43150 OC(=O)CCCC(=O)Nc1cc(ccc1O)[N+]([O-])=O
43151 CC(C)N1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1CCO
43152 CC(C)(O)C#Cc1ccc(CN2CCN(C(CCO)C2)C2CCCCC2)cc1
43153 Cc1ccccc1CC1(CO)CCCN(C1)C(=O)CCC(=O)c1ccccc1
43154 O=C(CCC1CCCN(C1)C(=O)C1=CCCCC1)N1CCN(CC1)c1ccccn1 |t:13|
43155 Cc1ccc(CN2CCN(Cc3cccc(OCCO)c3)CC2CCO)o1
43156 Cc1cccc(N(CC(=O)N2CCN(CC2)c2ccc(F)cc2)S(C)(=O)=O)c1C
43157 C(NC1CCCC1)c1cccnc1
43158 CCc1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccnc1)C(=O)c1csnn1
43159 Cc1occc1C(=O)NN=Cc1ccc(Br)s1 |w:9.9|
43160 O=C(NCc1ccc2OCOc2c1)Nc1ccc2nsnc2c1
43161 CC(=O)NC1=NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1ccc(NC(C)=O)cc1 |t:4|
43162 CC(C)(C)c1ccc(OCc2ccc(o2)C(=O)N2CCOCC2)cc1
43163 CCCCC(CC)c1nnc(NC(=O)c2cccs2)s1
43164 O=C(CSc1cccc2cccnc12)NN=Cc1cccnc1 |w:15.16|
43165 NNC(=O)c1cnn(c1-n1cccc1)-c1ccccc1
43166 Clc1ccccc1CSCCC(=O)NCc1cccs1
43167 CCOC(=O)C1CCN(CCC(=O)Nc2ccc(C)c(C)c2)CC1
43168 Oc1ccc(cc1)C1C(=O)c2ccccc2C1=O
43169 CCOC(=O)c1s\c(=N\C(=O)c2ccc(OC(C)C)cc2)n(C)c1C
43170 CN(C)CCCN(C(=O)c1ccc(cc1)-n1c(O)ccc1O)c1nc2c(F)cccc2s1
43171 COc1ccc(cc1OC)C(=O)\N=c1/sc2ccccc2n1C
43172 Cc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1
43173 Clc1ccc(cc1)C(=O)NN=Cc1cnc(s1)N1CCCCC1 |w:10.10|
43174 CCOC(=O)CS(=O)(=O)c1ccc(O)cc1
43175 Oc1cc(C#N)c(cc1-n1nnc2ccccc12)C#N
43176 Fc1ccc(cc1)C(=O)Nc1nc(nc2ccccc12)-c1ccccc1
43177 Oc1c(Br)cc(Br)cc1C=NCc1ccc(F)cc1 |w:10.11|
43178 COc1ccc(Br)cc1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O
43179 NNc1nc2c(nnn2c2ccccc12)-c1ccc(F)cc1
43180 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
43181 Clc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
43182 COc1c(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c(OC)c1OC
43183 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCOCC2)c2ccc(cc2)C(F)(F)F)cc1 |c:11|
43184 Brc1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:11.11|
43185 CCOc1ccc(NC2=NN=C(CS2)c2cc(C)n(CC3CCCO3)c2C)cc1 |c:10,t:8|
43186 CCOC(=O)C1CCN(CC1)C(=O)CSc1ccccc1Cl
43187 CCOc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:8.8|
43188 CN(CC(=O)Nc1ccc(C)cc1)C(=S)NC1CC1
43189 CCOc1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1 |t:16|
43190 C1Cc2ccccc2C1=NNc1nc2ccccc2[nH]1 |w:9.11|
43191 CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1
43192 CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1
43193 COc1ccc(NC(=O)COC(=O)c2cccc(c2)S(=O)(=O)N(C)C)cc1
43194 CCc1nc2ccc(cc2nc1CC)C(=O)Nc1nnc(C)s1
43195 O=C(COc1ccccc1-c1ccccc1)NCc1ccco1
43196 Cc1ccc(NS(=O)(=O)c2cccs2)cc1S(=O)(=O)N1CCCCCC1
43197 COc1ccc2c(cc(SCC(=O)NC(N)=O)nc2c1)-c1ccccc1
43198 O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1
43199 Oc1ccc(Br)cc1-c1nnc(SCC(=O)Nc2ccc3OCOc3c2)n1CC=C
43200 COc1ccc(CC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1OC
43201 CN(C)[C@H]1C2CC3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(=O)NCN2CCCC2)C1=O
43202 CCc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
43203 Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)o1 |w:6.6|
43204 COCCNC(=S)Nc1cc(OC)c(OC)cc1C#N
43205 CC(C)C(N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O)c1nnnn1C1CCCC1
43206 OC(=O)c1ncccc1C(=O)NCc1cccs1
43207 CC(C)C(NCc1c(Cl)cccc1Cl)C(O)=O
43208 O=C(Nc1nnc(o1)-c1ccc2OCCOc2c1)c1ccc(Cc2ccccc2)cc1
43209 COc1cccc(c1)-n1nnnc1S(C)(=O)=O
43210 [O-][N+](=O)c1cccc(c1)C(=O)C#Cc1ccccc1
43211 COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
43212 CCCN1C(=S)S\C(=C/C=C2\N(CC)c3ccccc3C2(C)C)C1=O
43213 CCc1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)N4CCc5ccccc45)c(O)c3c2)cc1
43214 O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)Nc1ccccc1
43215 Clc1cccc(CSCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1
43216 CCOc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1 |c:10|
43217 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(F)c1)c1ccccc1 |c:12|
43218 COc1cccc(NC(=O)COC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
43219 Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1
43220 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
43221 CC1(C)Cc2c(CO1)sc(NC(=S)NC(=O)c1ccccc1)c2C(O)=O
43222 Cc1ccc(c(Br)c1)-n1c(n[nH]c1=S)-c1cnccn1 |(5.79,-4.65,;5.79,-3.11,;7.12,-2.34,;7.12,-.8,;5.79,-.03,;4.46,-.8,;3.12,-.03,;4.46,-2.34,;5.79,1.51,;7.04,2.41,;6.56,3.88,;5.02,3.88,;4.54,2.41,;3.08,1.94,;8.5,1.94,;8.82,.43,;10.29,-.04,;11.43,.99,;11.11,2.49,;9.65,2.97,)|
43223 Cc1cc(C)c(C)c(C(=O)c2ccccc2C(O)=O)c1C
43224 CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
43225 Cc1ccc(SC(CC(=O)c2ccc(cc2)C(C)(C)C)C(O)=O)cc1
43226 O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O |c:10|
43227 OC(CNCCc1ccc(Cl)cc1)COc1ccc2ccccc2c1
43228 Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
43229 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(=O)C1CCCCC1
43230 OC(=O)c1ccccc1Sc1ncnc2sc3CCCc3c12
43231 OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccs1
43232 Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1
43233 Cc1nn(Cc2ccccc2)c(Cl)c1C(O)=O
43234 COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
43235 OC(=O)c1ccccc1NCCc1ccc(Cl)cc1
43236 OC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc12
43237 COC(=O)c1cccnc1SCCc1ccccc1
43238 [O-][N+](=O)c1ccc(cc1)C(=O)C#CC1CCCCC1
43239 CC(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
43240 [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccc(F)cc1
43241 Cc1ccc(C)c(OCCn2cc(C(O)=O)c3ccccc23)c1
43242 CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c(C)c12
43243 CN(C)CCCNc1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)c(C)c2n1
43244 CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(CCc2[nH]1)C(=O)c1ccc(Cl)cn1
43245 Cc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCc2ccccc2C1
43246 Cc1cc(C(=O)Oc2ccccc2C(O)=O)c(C)o1
43247 Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)no1
43248 CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C/C=C1\SC(=S)N(C)C1=O |c:5|
43249 [#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c2ccccc12
43250 CCS(=O)(=O)N1N=C(CC1c1ccc(C)cc1)c1cccc(NS(C)(=O)=O)c1 |c:6|
43251 Cc1cc(sc1CNCc1ccccc1Cl)C(O)=O
43252 OC(=O)c1ccccc1OCc1ccccc1Br
43253 Cc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12
43254 [O-][N+](=O)c1cc2oc3CCCCc3c2[c-](\C=[NH+]\Cc2ccccc2)c1=O
43255 OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
43256 COCCn1c(=S)[nH]c2cc(ccc2c1=O)C(=O)N1CCc2ccccc2C1
43257 Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)S(=O)(=O)c1ccccc1 |t:8|
43258 COC(=O)c1c(C)c(C)sc1-n1c(O)c2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3cc(C)cc4C)c2c1O |wU:20.21,wD:15.20,(4.46,-2.17,;4.46,-.63,;5.79,.14,;7.12,-.63,;5.79,1.68,;4.54,2.58,;3.08,2.11,;5.02,4.05,;4.12,5.29,;6.56,4.05,;7.04,2.58,;8.5,2.11,;9.74,3.01,;9.74,4.55,;10.98,2.11,;12.52,2.11,;13.76,3.01,;15,2.11,;14.53,.65,;13,.65,;11.75,-.26,;10.5,-1.16,;9.04,-.69,;10.98,-2.63,;12.52,-2.63,;13,-1.16,;14.56,-.8,;15.64,-1.99,;17.15,-1.66,;15.15,-3.51,;13.57,-3.84,;13.08,-5.29,;10.5,.65,;8.97,.65,;8.07,-.59,)|
43259 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
43260 COc1cc(ccc1OCc1c(C)noc1C)C(=O)OCC(=O)Nc1ccc2OC(F)(F)Oc2c1
43261 CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O
43262 CC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc3C2)c1C
43263 [O-][N+](=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
43264 CCOC(=O)c1c(CC)c(C)sc1NC(=O)\C=C\c1ccc2OCOc2c1
43265 COc1ccc(OC)c(c1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(6.68,5.12,;6.68,3.58,;8.01,2.81,;9.34,3.58,;10.68,2.81,;10.68,1.27,;12.01,.5,;13.35,1.27,;9.34,.5,;8.01,1.27,;9.34,-1.04,;10.68,-1.81,;12.06,-.99,;13.45,-1.78,;14.78,-1.01,;13.45,-3.39,;14.78,-4.16,;12.06,-4.18,;10.68,-3.35,;9.34,-4.12,;8.01,-3.35,;6.63,-4.18,;5.24,-3.39,;3.91,-4.16,;5.24,-1.78,;3.91,-1.01,;6.63,-.99,;8.01,-1.81,)|
43266 CCN(CC)c1ccc2cc(-c3nc(cs3)-c3ccc(OC)cc3)c(=O)oc2c1
43267 CSc1ccc(C=NNC(=O)c2cc(O)cc(O)c2)cc1 |w:7.7|
43268 O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCN(Cc2ccc3OCOc3c2)CC1
43269 CNC(=S)NNC1=c2ccccc2=NC1=O |c:6,13|
43270 Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
43271 COc1ccc(cc1)C(=O)c1c(O)cc(oc1=O)-c1ccc(OC)cc1
43272 COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
43273 Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)N1CCOCC1
43274 CCCOc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
43275 COc1ccccc1OCc1cccc(c1)C(O)=O
43276 CC(C)c1ccc(C)cc1OCCSc1nc2ccccc2n1CC(O)=O
43277 OC(=O)c1cn(CCOc2ccccc2)c2ccccc12
43278 CC(C)c1ccc(C)cc1OCCn1cc(C(O)=O)c2ccccc12
43279 COc1cccc(CNCc2sc(cc2C)C(O)=O)c1
43280 Cc1cc(OCCSc2nc3ccccc3n2CC(O)=O)ccc1Cl
43281 Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(O)=O)c1
43282 COc1ccc(Cl)cc1NCc1sc(cc1C)C(O)=O
43283 COc1ccccc1NCc1sc(cc1C)C(O)=O
43284 Cc1ccc(Nc2cc(C(O)=O)c3ccccc3n2)cc1C
43285 OC(=O)c1ccccc1NCc1c(Cl)cccc1Cl
43286 OC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc12
43287 CC(C)(C)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
43288 CC(=O)Nc1cccc(c1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
43289 COc1ccccc1OCCn1cc(C(O)=O)c2ccc(Cl)cc12
43290 Cc1c(C(O)=O)c2ccccc2n1CCOc1ccccc1C
43291 COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccc2ccc(O)cc12
43292 COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccc2c(O)cccc12
43293 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(C#N)c2ccccc12
43294 COc1ccc(OC)c(c1)S(=O)(=O)Nc1c(O)ccc2ccccc12
43295 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccccc1O
43296 COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccc(O)c1
43297 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)cc1
43298 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c(C)c1
43299 COc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
43300 COc1ccc(cc1)S(=O)(=O)Nc1ccccc1
43301 COc1ccc(cc1)S(=O)(=O)Nc1cccc2ccc(O)cc12
43302 COc1ccc(cc1)S(=O)(=O)Oc1ccc2cccc(N)c2c1
43303 COc1ccc(OC)c(c1)S(=O)(=O)Oc1ccc(N)c2ccccc12
43304 COc1ccc(cc1)S(=O)(=O)Nc1c(O)ccc2ccccc12
43305 Oc1ccc(NS(=O)(=O)c2ccccc2)c2ccccc12
43306 Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
43307 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
43308 Oc1ccc(NS(=O)(=O)c2cccc3ccccc23)c2ccccc12
43309 Oc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c2ccccc12
43310 Oc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12
43311 COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(O)c2ccccc12
43312 COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12
43313 COc1ccc(cc1)C(=O)Nc1ccc(O)c2ccccc12
43314 COc1ccc(cc1)C(=O)Nc1c(O)ccc2ccccc12
43315 COc1ccc(cc1)C(=O)Nc1ccc2[nH]ccc2c1
43316 COc1ccc(OC)c(c1)C(=O)Nc1ccc(O)c2ccccc12
43317 COc1ccc(OC)c(c1)C(=O)Nc1c(O)ccc2ccccc12
43318 COc1ccc(OC)c(c1)C(=O)Nc1ccc2[nH]ccc2c1
43319 COc1ccc(cc1OC)C(=O)Nc1ccc(O)c2ccccc12
43320 COc1ccc(cc1OC)C(=O)Nc1c(O)ccc2ccccc12
43321 COc1ccc(cc1OC)C(=O)Nc1ccc2[nH]ccc2c1
43322 COc1ccc(NC(=O)Nc2ccc(O)c3ccccc23)cc1
43323 COc1ccc(NC(=O)Nc2ccc3[nH]ccc3c2)cc1
43324 COc1ccc(NC(=O)Nc2c(O)ccc3ccccc23)cc1
43325 Oc1ccc(NC(=O)Nc2ccc(F)cc2)c2ccccc12
43326 Cc1ccc(NC(=O)Nc2ccc(O)c3ccccc23)cc1
43327 COc1ccc(OC)c(NC(=O)Nc2ccc(O)c3ccccc23)c1
43328 Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12
43329 COc1ccc(OC)c(NC(=O)Nc2c(O)ccc3ccccc23)c1
43330 COc1ccc(OC)c(NC(=O)Nc2ccc3[nH]ccc3c2)c1
43331 Oc1ccc2ccccc2c1NC(=O)Nc1ccccc1
43332 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc2[nH]ccc2c1
43333 Oc1ccc2ccccc2c1NS(=O)(=O)c1ccc(F)cc1
43334 COc1ccc(cc1OC)S(=O)(=O)Nc1c(O)ccc2ccccc12
43335 Oc1ccc2ccccc2c1NS(=O)(=O)c1ccccc1
43336 Cc1ccc(cc1)S(=O)(=O)Nc1c(O)ccc2ccccc12
43337 COc1ccc(OC)c(c1)S(=O)(=O)Nc1cccc2ccccc12
43338 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc(O)c2ncccc12
43339 Nc1ccc(O)c2ccccc12
43340 Nc1cccc2c(O)cccc12
43341 C\C=C(/C=O)[C@H](CC=O)CC(=O)OCCc1ccc(O)cc1
43342 CC(NC(=O)CSc1nc(O)c(NC(C)=O)c(=O)[nH]1)c1ccccc1
43343 O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCCC1
43344 O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCC1
43345 CCN(CC)C(=O)CN1CCN(CC1)c1ncccn1
43346 COc1ccccc1N1CCN(CC1)C(c1nnnn1C(C)C)c1ccc(C)cc1
43347 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1cnc(NC(=O)C2CC2)cc1C |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
43348 COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1
43349 Cc1noc(C)c1COc1ccc(cc1)C(=O)NCc1ccccn1
43350 Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CC1CCCO1
43351 COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1OC
43352 FC(F)Oc1ccc(cc1)C(=O)COC(=O)C1CCCC1
43353 COc1ccc(cc1)C1C(CCC(=O)N1c1cc(OC)c(OC)c(OC)c1)C(=O)N1CCCCC1
43354 CC1(C)CC(=O)C2C(c3cccs3)c3c(N=C2C1)nc(SCCN1CCOCC1)[nH]c3=O |c:16|
43355 Nc1nc2CCCCCCc2c(-c2cccc(O)c2)c1C#N
43356 COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
43357 CN(C)c1oc(nc1C#N)-c1ccccc1Cl
43358 OC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2=O
43359 Clc1ccc(cc1)-c1nnc(NC(=O)c2ccccc2Br)o1
43360 CC(C)c1nc(SCC(=O)Nc2cc(C)on2)c2c(n1)n(C)c(=O)n(C)c2=O
43361 CC(=O)c1ccc(OCC(O)Cn2nnc3ccccc23)cc1
43362 CN(C)C(=S)SSC(=S)N(C)C
43363 ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O |c:1,t:13|
43364 COc1ccc(cc1)-c1nc(C)c(C(C)=O)n1O
43365 Cn1c2nc(Br)n(CCCc3ccccc3)c2c(=O)[nH]c1=O
43366 CC(C)c1ccc2NC(=O)C3(NN=C(S3)c3ccccc3)c2c1 |c:12|
43367 CC1CCN(CC1)C(=O)n1cnc2cc(C)c(C)cc12
43368 CN(C)C(=S)SC(NC(C)=O)C(Cl)(Cl)Cl
43369 Cc1cc(C)c(c(OC(=O)c2cc(F)c(F)cc2Cl)n1)S(=O)(=O)c1ccccc1
43370 CCn1c2ccccc2c(=O)n(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1=O
43371 CCCN(CCC)CCNc1c(NC2CCN(CC2)C(=O)OCC)c(=O)c1=O
43372 COc1ccc2[nH]c3c(ncnc3c2c1)N1CC(C)OC(C)C1
43373 COC(=O)CSC1=C(C#N)C(=O)NC(S1)c1ccccc1 |c:6|
43374 CC(=C)c1sc(nc1O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
43375 CCOC(=O)C1=C(O\C(S1)=C(\C#N)C(F)(F)F)c1ccccc1 |t:5|
43376 CCN1CCN(CC1)C(=O)CCc1nc2ccccc2c(=O)[nH]1
43377 CCN(CC(=O)Nc1ccc(cc1)N1CCOCC1)Cc1nc2ccccc2c(=O)[nH]1
43378 O=C(CN1CCN(CC1)c1ncccn1)NCc1ccccc1
43379 [O-][N+](=O)c1cc(ccc1Cl)C(=O)c1ccccc1C(=O)OCC(=O)NC1CCCCCC1
43380 CN(CC(=O)OCC(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(NC(C)=O)cc1
43381 COc1cccc(OC)c1C(=O)NNC(=O)c1cccc(COc2ccc3CCCc3c2)c1
43382 Clc1ccc(C=NNC(=O)c2cccs2)s1 |w:6.6|
43383 CCSc1nc2ccccc2n1C(=O)\C=C/c1ccc(OC)c(OC)c1
43384 CN(C)c1cc(nc(n1)-c1ccccn1)C(F)(F)F
43385 [O-][N+](=O)c1cc(ccc1-n1cccn1)C(=O)Nc1ccc(Cl)cc1
43386 COc1cc(\C=C\C(=O)n2c(SCC=C)nc3ccccc23)cc(OC)c1OC
43387 CC(C)CC(=O)C=Cn1c2ccccc2oc1=S |w:6.5|
43388 CCOC(=O)\C=C\C(=O)Nc1ccccc1-c1ccccc1NC(=O)\C=C\C(=O)OCC
43389 CCOC(=O)C1CCN(CC1)C(=S)Nc1cc(C)ccc1C
43390 CCSc1nc2ccccc2n1C(=O)\C=C\c1ccc(OC)c(OC)c1
43391 CN(C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1)c1ccccc1
43392 [O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cc1
43393 Clc1cccc(c1)-c1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)o1
43394 Cc1ccc(cc1)C(=O)NN1C(=S)S\C(=C/c2cccn2C)C1=O
43395 CCN(CC)c1ccc(\C=C2/C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
43396 Cc1nnc(NC(=O)C=Cc2ccccc2)[nH]1 |w:9.9|
43397 Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1cccnc1
43398 CC(=O)C=Cn1c2ccccc2oc1=S |w:4.4|
43399 CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
43400 CCc1c(C)c(C#N)c2nc3ccccc3n2c1Cl
43401 COc1ccc(cc1OC)-c1cc(nc(SCC(=O)NCc2cnn(C)c2C)n1)C(F)(F)F
43402 Cc1nn(CCCC(=O)NCc2ccccc2)c(C)c1[N+]([O-])=O
43403 COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3)c2C)c1 |w:20.19,8.8|
43404 CCCN(CCC)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC
43405 Clc1cccc(c1)C1CC(=O)C(=CNC2CCCC2)C(=O)C1 |(10.37,5.32,;8.83,5.32,;8.06,6.65,;6.52,6.65,;5.75,5.32,;6.52,3.98,;8.06,3.98,;5.75,2.65,;7.08,1.88,;7.08,.34,;8.41,-.43,;5.75,-.43,;5.75,-1.97,;4.41,-2.74,;4.41,-4.28,;3.17,-5.19,;3.64,-6.65,;5.18,-6.65,;5.66,-5.19,;4.41,.34,;3.08,-.43,;4.41,1.88,)|
43406 [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\[#6]=[#6]\c2ccco2)-[#6]-1=O
43407 COCCn1c2ccc(cc2s\c1=N\C(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12)S(C)(=O)=O
43408 NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCCc12
43409 [#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)c(-[#6])n1-c1ccc(-[#6])cc1
43410 COc1ccc(cc1)-c1nsc(SCC(=O)Nc2ccc3OCOc3c2)n1
43411 CC(C)Oc1ccc(cc1)C(=O)NC(=S)N1CCOCC1
43412 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)c1ccc(NC(=O)\C=C\c2ccc(OC)c(OC)c2)cc1 |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
43413 COc1ccc(C)cc1C1=Nc2ccccc2C1(C)C |t:10|
43414 Cc1nn(c(C)c1Br)-c1nnc(NCc2ccccc2)nn1
43415 Cc1ccccc1Nc1nnc(SCC2CCCCO2)s1
43416 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
43417 CCCNC(=O)COC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1cccc(c1)C(F)(F)F
43418 COc1ccc(C)cc1NC(=O)C(OC(=O)CNC(=O)c1cc(C)cc(C)c1)c1ccccc1
43419 Cc1ccc(C)c(NC(=O)C(Sc2nnc(o2)-c2cccs2)c2ccccc2)c1
43420 Cc1cccc(Nc2nnc(SCC3CCCCO3)s2)c1C
43421 Cc1cccc(Nc2nnc(SCC3CCCCO3)s2)c1
43422 COCCNC(=O)C(=C\c1cccc(\C=C(/C#N)C(=O)NCCOC)c1)\C#N
43423 COc1ccccc1OCC(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCCCC1
43424 Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
43425 Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23 |w:8.9,t:11|
43426 Cc1n(nc2c(SCCN3CCOCC3)nnc(C)c12)-c1ccccc1F
43427 COc1ccccc1-c1cc(SC)c(C#N)c(=O)o1
43428 CC(C)c1ccc(OCc2cccc(c2)C(=O)NN=Cc2cccnc2)cc1 |w:18.18|
43429 Cc1ccc2c(C=CC(C)(C)S2=O)c1 |c:6|
43430 COc1ccc(cc1)C(=O)NCCSC1CCCCC1
43431 O=C1NC(=Cc2ccc(o2)N2CCOCC2)C(=O)N1c1ccccc1 |w:4.4|
43432 Cc1nc(c(SCc2ccc(F)cc2)[nH]1)[N+]([O-])=O
43433 [O-][N+](=O)c1cc(ccc1Cl)C(=O)NCCC1=CCCCC1 |t:16|
43434 COc1ccc(Nc2nc(cs2)C(=O)N2CCc3ccccc3C2)cc1
43435 OCc1ccc(CN2CCC(CC2)N2CCC(CC2)C(=O)NCCc2ccccc2)o1
43436 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1cccnc1 |c:17|
43437 Cc1cc(OC(=O)c2ccccc2)c([N+]([O-])=O)c(=O)[nH]1
43438 Cc1ccc(NC(=O)CCC2CC(C)(C)OC2=O)cc1
43439 COc1ccc(OC)c(CNn2c(nc3ccccc3c2=O)-c2ccccc2F)c1
43440 CCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1
43441 CCCOC(=O)c1ccc(O)c(OC)c1
43442 CCOC(=O)COc1ccc(cc1)C1CC(C)=NN1c1ccccc1 |c:17|
43443 COCCNc1nc2nonc2nc1N(C)Cc1cccc2cnccc12
43444 CCOC(=O)Cn1nnnc1C
43445 OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccccc2)c1=O |w:14.15|
43446 CC(C)CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
43447 Fc1ccc(CCN2C(=O)NC(=O)\C(=C\C=C\c3ccccc3)C2=O)cc1
43448 Cc1cc2cc(C)c(SCC(=O)NCc3ccco3)nc2cc1C
43449 COc1cc2CCN(Cc2cc1OC)C(=O)c1ccco1
43450 Clc1ccc(cn1)C(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)C1CCCCC1
43451 CCOC(=O)c1sc(=S)n(c1N(C(C)=O)C(C)=O)-c1ccccc1
43452 COc1ccc(cc1)C1C(C(=O)N2CCN(C)CC2)c2cc(OC)c(OC)cc2C(=O)N1C
43453 COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F
43454 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F
43455 null
43456 Cc1cc(C(=O)Nc2cccc3ccccc23)n(n1)-c1ccccc1
43457 [O-][N+](=O)c1cccc(\C=C\C(=O)n2cnc3ccccc23)c1
43458 O=C(CSc1ccc(nn1)-c1ccco1)NC1CCCC1
43459 COC(=O)c1c(\C=C\N(C)C)onc1-c1ccccc1Cl
43460 CCCNc1cc(COC)nc(n1)-c1ccccc1
43461 CN(C)\C=C\c1snc(SCc2csc(C)n2)c1C#N
43462 Cn1cc\c(=N/C=C(C#N)C#N)c2ccccc12 |(7.08,5,;7.08,3.47,;5.75,2.7,;5.75,1.16,;7.08,.39,;7.08,-1.16,;5.75,-1.93,;5.75,-3.47,;4.41,-4.24,;3.08,-5,;7.08,-4.24,;8.41,-5,;8.41,1.16,;9.79,.33,;11.19,1.12,;11.19,2.73,;9.79,3.52,;8.41,2.7,)|
43463 COc1ccc(CS(=O)C(Cl)=C(Cl)C(=O)Nc2ccc(OC)nc2)cc1 |w:9.9|
43464 COc1ccc(cc1)S(=O)(=O)NN(C)c1ncc(cc1Cl)C(F)(F)F
43465 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(Cl)cc2)cn1 |w:11.11|
43466 CSc1nsc(CC=Nc2ccc(F)cc2)c1C#N |w:8.8|
43467 CCOC(=O)C1C(N(C)OC1(O)C(F)(F)F)c1ccccc1
43468 Clc1ccccc1Cn1c2ccccc2c(=O)n(-c2ccc(CC(=O)NCC3CCCO3)cc2)c1=O
43469 O=C(Nc1ccncc1)Nc1ccncc1
43470 COc1ccc(OCC(=O)N[N-][C+](C)CC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
43471 CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)cc1
43472 O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1COc2ccccc2O1
43473 OC(c1cccs1)c1nnc(o1)-c1ccccc1
43474 CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1
43475 Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(Br)c3)C(=O)c12
43476 [#6]-c1ccc(\[#6]=[#6]-2\[#6](Cl)=[#6](Cl)-[#6](Cl)=[#6]-2Cl)cc1 |c:12,t:8|
43477 O=C(C=Cc1cccnc1)C=Cc1cccnc1
43478 CN(C)c1n\c(=N\Cc2ccco2)ss1
43479 CCOC(=O)N1CC(=Cc2ccccc2)C(=O)C(C1)=Cc1ccccc1
43480 Cc1cccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c12 |c:12|
43481 O=C1N=c2ccccc2=C1NNC(=S)N1CCOCC1 |c:9,t:2|
43482 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |c:20|
43483 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O |c:16|
43484 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O |c:17|
43485 [H][C@@]12C[C@@H](C)[C@]3([H])C4OC4C(=O)[C@@]3(C)[C@@H](O)[C@]1([H])C(=C)C(=O)O2
43486 [H][C@@]12N(C)c3ccc(OC)cc3[C@@]11C[C@H](N=C1NC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:17,25|
43487 COc1cc(NC(=O)c2cnc(N)s2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
43488 Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2F)n1
43489 Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2)n1
43490 Cc1cc(C)nc(S\C=C\C(=O)c2ccc(F)cc2)n1
43491 COc1cc(\C=C2/COC\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC
43492 Clc1cc(Cl)cc(c1)N1CC(=O)N(CC1=O)N=Cc1cccnc1 |w:16.17|
43493 O=C(Nc1ccc(cc1)-c1csnn1)C1CC1
43494 FC(F)(F)c1ccc(NC(=O)CSC2=NNC(S2)c2ccccn2)cc1 |t:13|
43495 C(SC1=NNC(S1)c1ccccn1)c1ccccc1 |t:2|
43496 CN1C(CC2Cn3c(nc4cc5ccccc5cc34)C12)C(=O)NCc1cccc(Br)c1
43497 CC(C)n1cnc2c(nc(nc12)N(CCN(C)C)Cc1ccccc1)N(C)c1ccccc1
43498 O=C1CCN(Cc2ccccc2)S(=O)(=O)c2ccccc12
43499 COC(=O)C(C(C)C)N1CCC(=C)c2ccccc2S1(=O)=O
43500 Cc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:11|
43501 COCC(C)NC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(OC)cc1
43502 O=C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccco1
43503 Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1
43504 Cc1ccccc1-c1noc(N)c1C#N
43505 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
43506 CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
43507 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
43508 Cc1cc(=O)n(cn1)C(NC(=O)c1ccccc1)C(=O)c1ccccc1
43509 COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
43510 O=C(N1CCCC1)c1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1
43511 CCOC(=O)C(C=Nc1cc(C)nn1-c1ccccc1)C(=O)OCC |w:7.7|
43512 Cc1ccc(cc1C)-n1nc(C(O)=O)c2ccccc2c1=O
43513 COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
43514 CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
43515 CCOc1cc(cc(OCC)c1OCC)-c1noc(N)c1C#N
43516 CN(c1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccccc2)c1)S(C)(=O)=O
43517 [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/[#7]-[#7]-[#6](=O)-c2ccncc2)-[#6]-1=O
43518 Cc1cccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1
43519 CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccccc2F)CC1
43520 CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc3ccccc3c2)CC1
43521 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
43522 COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC
43523 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
43524 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
43525 COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccc(O)c1)C(F)(F)F
43526 Oc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(O)c1
43527 Oc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1
43528 Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
43529 Cc1ccc(cc1)C1=NNC(c2ccncc2)=c2ccc3ccccc3c2=N1 |c:30,t:8,18|
43530 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1cccs1)C(=O)OC |c:19,t:4|
43531 COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F
43532 CC1(C)Cc2c(ccc3ccccc23)C2=C(C(=O)N3CCCC3)C(=O)C(=O)N12 |c:16|
43533 COc1ccc(cc1OC)-n1c(SCc2cccnc2)nc2CCSc2c1=O
43534 Cc1c([nH][nH]c1=O)C(=O)NN=CC(Br)=Cc1ccccc1 |w:10.10,14.15|
43535 COc1ccc(CCNc2ncnc3cc(OC)c(OC)cc23)cc1OC
43536 COc1ccccc1CNc1ncnc2cc(Cl)ccc12
43537 COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC
43538 Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
43539 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(cc1)C#C)C(=O)OCC=C |c:5|
43540 CCOC(=O)N1CCN(CC1)C(=O)\C=C\c1c(C)nn(c1Cl)-c1ccc(F)cc1
43541 CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)CC1
43542 CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)c1
43543 [#6]-c1ccccc1-[#7]-[#6](=O)-[#6](=[#6]/c1ccc(cc1)-[#6](-[#8])=O)\[#6](=O)-[#7]-c1ccccc1-[#6]
43544 O=C(NNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12)c1ccccc1
43545 OC(=O)Cn1cc(C#N)c2ccccc12
43546 COCc1cc(=O)n2c(n[nH]c2n1)-c1ccccc1OC
43547 Cc1c(C#N)c2ccccc2n1CC(O)=O
43548 Nc1nnc(Cc2c[nH]c3ccccc23)s1
43549 CCc1cc2c(NCCC(O)=O)nc(C)nc2s1
43550 COC(=O)c1n[nH]c2ccccc12
43551 NC(=O)CSc1c[nH]c2ccccc12
43552 CN(Cc1c[nH]c2ccccc12)Cc1ccccc1
43553 O=c1n(Cc2ccco2)cnc2ccccc12
43554 COc1ccccc1C(=O)Nc1cc(Cl)ccc1O
43555 Cc1nc(NC(N)=Nc2ccccc2)nc2ccccc12 |w:7.7|
43556 CN(C)C(CN1C(=O)C2CC=CCC2C1=O)c1cn(C)c2ccccc12 |c:10|
43557 Cc1nc2ccccc2cc1O
43558 COc1cccc(c1O)-c1nc(N2CCCCC2C)c2ccccc2n1
43559 CCOC(=O)c1sc(NCc2ccco2)c(c1N)-c1nc2ccccc2s1
43560 COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
43561 CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1
43562 CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1
43563 O=C(CCCSc1nc2ccccc2s1)NCc1ccco1
43564 Cc1nn(c(N)c1C(O)(CSc1nccn1C)C(F)(F)F)-c1ccc(Cl)cc1
43565 COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F
43566 CCC(C(=O)Nc1ccccc1OC)n1c(cc2ccsc12)C(=O)OC
43567 CN1C(C(C(=O)NCCCN2CCCC2=O)c2ccccc2C1=O)c1c[nH]c2ccccc12
43568 CCC(=O)NCCSc1c[nH]c2ccccc12
43569 COc1cc(NC(=O)c2cc(on2)-c2ccco2)c(OC)cc1Cl
43570 CC1CCN(CC1)C(=O)Cn1c2ccccc2c(=O)n(CCc2ccccc2)c1=O
43571 COc1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1
43572 CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1
43573 OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 |c:5|
43574 Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12 |c:14|
43575 COc1ccc(NC(=O)N2CCn3c2nc2ccccc32)cc1
43576 COCCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
43577 CCCc1cc(no1)C(=O)Nc1cc(OC)c(Cl)cc1OC
43578 COc1ccc(Cl)cc1-c1nc(no1)-c1ccc(Br)o1
43579 Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCC1CCCO1
43580 CC1CC(C)CN(C1)S(=O)(=O)c1ccc2oc(C(=O)NCc3cccnc3)c(C)c2c1
43581 COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1
43582 COCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
43583 C1CN(c2ccccc2C1)c1nc2ccccc2n2cnnc12
43584 Cn1c(CNc2ccccc2O)nc2ccccc12
43585 CN1CCN(CCCNC(=O)c2cc3c(nn(C)c3s2)-c2ccc(Cl)cc2)CC1
43586 Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCOCC1
43587 Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCCC1
43588 CCN(CC)S(=O)(=O)c1ccc(cc1)-c1nnc2sc3cccc(C)c3n12
43589 CCN1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
43590 CCn1c(cc2sc(Cl)cc12)C(=O)Nc1ccsc1C(=O)OC
43591 Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCN1CCOCC1
43592 O=C(C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc12
43593 CCOC(=O)CC1N(CCNC1=O)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1
43594 O=C(N1CCc2ccccc12)c1cccnc1
43595 CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12
43596 Cc1cccc2\C(=C\C(=O)c3cccs3)C(=O)Nc12
43597 CCCc1nnc(s1)N1C(=O)c2cccc3cccc(C1=O)c23
43598 COc1ccc(cc1OC)S(=O)(=O)Nc1nc2ccccc2s1
43599 COc1cc(NC(=O)c2cc(on2)C(C)C)c(OC)cc1Cl
43600 COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1
43601 COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1Br
43602 C(NC1CCCCCC1)c1c[nH]c2ccccc12
43603 CCOc1ccccc1-c1nnc(S)o1
43604 COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl
43605 CC(OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1
43606 Clc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1
43607 COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1
43608 Cc1ccc(CC(=O)Nc2nc3CCCCc3s2)cc1
43609 O=C(CN1CCNCC1)Nc1ccc(Oc2ccccc2)cc1
43610 CN(C)C(=O)COC(=O)\C=C\c1ccccc1[N+]([O-])=O
43611 Cc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)s1
43612 Cc1nc2c(C(=O)c3ccccc3C2=O)n1C1CCCCC1
43613 Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1
43614 CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12
43615 CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12
43616 CCC(CC)NC(=O)Cc1ccccc1[N+]([O-])=O
43617 O=C(Nc1nc2cccc3cccc([nH]1)c23)c1ccccc1
43618 CC(C)CC(=O)NC(=S)Nc1nc(cs1)-c1ccccc1
43619 CC1=C(C)C(=O)C(=CC1=O)N1CCOCC1 |c:1,6|
43620 O=C1Nc2ccccc2\C1=C(\C#N)c1nc2ccccc2s1
43621 CC(=O)N1N=C(OC1(C)CC(=O)Nc1ccccc1)c1ccccc1O |c:4|
43622 CN1N=C(CCC1=O)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl |c:2|
43623 Fc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)Cc1cnc2ncnn2c1
43624 [O-][n+]1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1Cl
43625 Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F
43626 CCOc1ccccc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1CCO
43627 Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)NC1=O |(11.48,2.91,;10.05,2.33,;8.74,3.14,;7.56,2.15,;6.07,2.53,;5.64,4.01,;4.15,4.38,;3.08,3.27,;3.5,1.79,;5,1.42,;8.14,.73,;7.32,-.58,;9.68,.83,;10.67,-.35,;12,-1.12,;12,-2.66,;10.67,-3.43,;13.33,-3.43,;14.67,-2.66,;16,-3.43,;14.67,-1.12,;13.33,-.35,;13.33,1.19,)|
43628 CC(C)CC1N(CCc2c1[nH]c1ccccc21)C(=O)CCC(=O)N(C)C
43629 CCOc1ccccc1C1CC(=NN1S(C)(=O)=O)c1cccs1 |c:12|
43630 CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)c1
43631 COCCSc1ccccc1C(=O)NCCc1ccccc1
43632 COc1ccccc1C(=O)NNC(=S)Nc1ccccc1
43633 COC(=O)NNC(=O)c1ccccc1OC
43634 COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1
43635 O=C(CCc1nnc(Cc2ccc3OCOc3c2)o1)NCc1nc2ccccc2s1
43636 COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccc(=O)n(C)n2)c(F)c1
43637 Cc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(=O)n(C)n1
43638 CC(=O)NCCC(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(Cl)c1
43639 CCOc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)cc1
43640 COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2cc3ncccn3n2)c(F)c1
43641 Clc1cccc(c1)C1N(CCc2c1[nH]c1ccccc21)C(=O)CCN1CCOCC1
43642 CCOC(=O)C1(CC2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1
43643 COCCNC(=O)C(=O)NNC(=O)c1ccccc1OC
43644 Oc1ccccc1NC(=O)c1csc2CCCCc12
43645 Oc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl
43646 CN1CCN(CC1)C(=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F
43647 Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=c2ccccc2=N1 |w:13.14,c:24,t:17|
43648 COCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12
43649 Cc1cccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)c1O
43650 OC(=O)C(Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O
43651 COCCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F
43652 Nc1nc(nn1C(=O)c1cccs1)-c1ccc(Cl)cc1
43653 CC(=O)n1cc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc12
43654 NNc1ncnc2sc3CCCc3c12
43655 CN1C(=O)\C(=C/c2cc(Br)cs2)c2ccccc12
43656 O=C(Cc1c[nH]c2ccccc12)Nc1nnc(s1)C1CC1
43657 Nc1ccccc1Sc1nc2ccccc2[nH]1
43658 CN(C)c1ccc(cc1)C(=O)OCC(=O)c1cccs1
43659 CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
43660 Cc1ccc(cc1)-c1cc2nc(C)cc(NCc3ccco3)n2n1
43661 Cc1ncsc1C(=O)Nc1nc2CCCCc2s1
43662 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
43663 Nc1ccc2oc(nc2c1)-c1ccccc1Cl
43664 COc1ccc(Nc2oc(nc2C#N)-c2cccs2)cc1
43665 Nc1ncc(s1)-c1cc2ccccc2oc1=O
43666 O=C(OCc1csc(n1)-c1ccccc1)c1cccs1
43667 Brc1ccc(cc1)-c1cc(no1)C(=O)NCC=C
43668 COc1ccc2nc(Nc3ccc4OCOc4c3)sc2c1
43669 CCC(C)NC(=O)c1cc(on1)-c1ccc(OC)cc1
43670 Clc1cccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c1
43671 CCOc1ccc2nc(nc(C)c2c1)N1CCOCC1
43672 CCOCC(=O)Nc1nc2ccc(OCC)cc2s1
43673 Cc1cc(C(=O)NCCC2=CCCCC2)c(C)o1 |t:9|
43674 Cc1occc1C(=O)Nc1ccc2CCCc2c1
43675 CN(C)c1nc(N)nc(CSc2nc3cc(Cl)ccc3o2)n1
43676 Cc1ccc(s1)C(=O)Nc1nc2ccccc2s1
43677 Cc1ccc(o1)C(=O)Nc1nc2CCCCc2s1
43678 Clc1ccc(cc1)-n1ncc2c(NCC3CCCO3)ncnc12
43679 C(Nc1ccc2ccccc2n1)c1ccccn1
43680 O=C(c1ccccc1)c1ccc(cc1)N1CCCC1
43681 Cc1ccc(cc1)-c1cnc(o1)-c1ccncc1
43682 Cc1nc2ccc(cc2[nH]1)-c1nc2ccccc2o1
43683 Nc1nc2ccc(cc2s1)-c1nc2ccccc2o1
43684 Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc12
43685 CCCCOC(=O)Nc1nc2ccccc2s1
43686 CCOC(=O)C(=C\c1cc(C)n(c1C)-c1ccccc1)\C#N
43687 Cc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2o1
43688 N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
43689 CCCCCNc1nc(cs1)-c1ccccc1
43690 Cc1ccc(cc1)-c1cc(N)n(n1)-c1ccccc1
43691 CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
43692 c1ccc2cc3[nH]c(nc3cc2c1)-c1cccnc1
43693 FC(F)(F)C(=O)C(C=Nc1ccc(Br)cc1)C(=O)c1ccco1 |w:8.8|
43694 Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1
43695 Cc1ccc(o1)C(=O)CC=Nc1cccc(c1)[N+]([O-])=O |w:10.11|
43696 Fc1ccc(\C=C\C(=O)Nc2nc3ccccc3[nH]2)cc1
43697 COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S
43698 Cc1ccc(o1)C(=O)N1CCc2ccccc12
43699 Brc1ccc(s1)C(=O)Nc1ccc2OCCOc2c1
43700 CN1CCS\C1=C/C=C1\SC(=S)N(C)C1=O
43701 Cc1n[nH]c(Nc2cccc(C)c2)c1[N+]([O-])=O
43702 [O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccn1
43703 O=C(Nc1ccccn1)\C=C\c1ccco1
43704 Fc1ccc(cc1)N=CC(C(=O)c1ccco1)C(=O)C(F)(F)F |w:7.7|
43705 CC(C)(C)NC1=NN=C(CS1)c1cc2ccccc2o1 |c:7,t:5|
43706 CC(=O)NC(=S)Nc1sc2CCCCCc2c1C#N
43707 NC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1
43708 Fc1ccc2nc(Nc3nc4cc5OCCOc5cc4s3)sc2c1
43709 CC(=O)c1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1
43710 COc1ccc(cc1OC)N=CCC(=O)c1ccc2OCOc2c1 |w:10.10|
43711 COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
43712 Cc1nc(cs1)-c1ccc(NC(=O)c2ccccc2Br)cc1
43713 CC(=O)c1cccc(c1)N=CCC(=O)c1ccc(C)cc1 |w:9.9|
43714 OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
43715 CN(C)c1ccnc2sc(C(=O)c3ccccc3)c(N)c12
43716 Fc1cccc(\C=C\C(=O)N2CCc3ccccc23)c1
43717 C=CCNc1nc(cs1)-c1cc2ccccc2o1
43718 CCNc1nc(cs1)-c1cc2ccccc2o1
43719 Fc1ccc(cc1)C(=O)NCCC1=CCCCC1 |t:13|
43720 CC1CCCN(C1)C(=O)\C=C\c1ccc(C)cc1
43721 Cc1ccc(\C=C\C(=O)Nc2ccccc2C(N)=O)cc1
43722 CCCOC(=O)c1ccc(cc1)-c1ccc(C=O)o1
43723 Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1 |w:7.7|
43724 COc1cccc(c1)N=CCC(=O)c1ccc(Cl)cc1 |w:8.8|
43725 CC(=O)Nc1ccccc1C(=O)OCc1cccc(F)c1
43726 Fc1ccc(NC(=S)NC(=O)c2ccc3OCCOc3c2)cc1
43727 CCc1ccc(Nc2ncc3C(=O)CC(C)Cc3n2)cc1
43728 Clc1ccc(NC(=O)\C=C\c2ccccc2)nc1
43729 O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCCCCC1
43730 C\C(=C/c1ccccc1)C(=O)Nc1nccs1
43731 Fc1ccc(cc1)N=CCC(=O)c1ccc(Br)cc1 |w:7.7|
43732 COc1cccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)c1
43733 [O-][N+](=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nccs1
43734 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1nc2ccc(cc2s1)-[#7+](-[#8-])=O
43735 Cc1nc(cs1)-c1ccc(NC(=O)c2ccccc2C)cc1
43736 COc1ccc(cc1)-c1cc(C)nc2c(cnn12)-c1ccccc1
43737 [O-][N+](=O)c1ccccc1OCCCn1cnc2ccccc12
43738 Brc1ccc2cc(OCC(=O)NNC(=S)NCC=C)ccc2c1
43739 Nc1ccc2nn(nc2c1)-c1ccccc1
43740 CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
43741 Clc1ccc(cc1)C(=O)Cn1cnc2ccccc2c1=O
43742 CC(=O)Nc1ccc(cc1)-c1csc(Nc2cccc(C)n2)n1
43743 CCOC(=O)c1ccc2nc(NC(C)=O)sc2c1
43744 Fc1ccccc1CSc1nnc(o1)-c1cccnc1
43745 CCc1ccc(NC(=O)N2CCC(C2)c2ccccc2)cc1
43746 COc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
43747 CC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
43748 Cc1ccc2nc(NC(=O)CCn3cccc3)sc2c1
43749 COc1ccc2c(c1)oc(=O)c1cc(OC)ccc21
43750 C1CCC(CC1)NC1=NN=C(CS1)c1cccs1 |c:10,t:8|
43751 COc1ccc(cc1)-c1cc2ncc(-c3ccccc3)c(N)n2n1
43752 Nc1ccccc1Nc1cc(n[nH]1)-c1ccccc1
43753 Cc1ccc2nc(NCc3ccccc3)[nH]c2c1
43754 CCOC(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1
43755 On1onc2c1ccc1nc(cc21)-c1ccccc1
43756 CCOc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1cccn1C)C(=O)Cc1cccs1
43757 Cc1cccn2n(C(=O)c3ccco3)c(=S)nc12
43758 COC(=O)C1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
43759 COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NCc1cccs1 |t:13|
43760 Brc1ccc2=NC(=O)C(NNC(=O)c3ccccc3-n3cccc3)=c2c1 |c:25,t:4|
43761 COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 |w:7.7|
43762 Cc1cc(Cl)ccc1NC(=S)Nc1ccccn1
43763 COc1cccc(C=NNC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1OC |w:8.8|
43764 CCN(CC)c1ccc(C=NNC(=O)c2ccco2)cc1 |w:10.10|
43765 CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1ccco1 |t:3|
43766 Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
43767 Fc1ccc(CNC(=O)COc2ccc(cc2)C(=O)c2ccc(F)cc2)cc1
43768 Clc1ccc(NC(=O)Nc2nccs2)cc1Cl
43769 Cc1nc2ccccn2c1-c1csc(Nc2cccc(O)c2)n1
43770 O=C(Cc1nc2ccccc2[nH]c1=O)c1cccs1
43771 CCN(CC)c1ccc(C=NNC(=O)c2cnccn2)cc1 |w:10.10|
43772 COc1ccccc1-c1ccc(SCc2ccccc2F)nn1
43773 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccn1
43774 CC(=O)Nc1ccc(CN=Nc2nc3ccccc3s2)cc1 |w:10.10|
43775 Cc1ccc(C=NNC(=O)c2ccc3OCCOc3c2)s1 |w:6.6|
43776 Cn1cccc1C=C1SC(Nc2ccccc2)=NC1=O |w:6.6,c:18|
43777 COc1ccc(Nc2oc(nc2C#N)-c2ccc(OC)cc2)cc1
43778 Cc1csc2sc(c(C)c12)-c1ccnc(SCC(=O)NCc2ccccc2)n1
43779 OC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
43780 CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1ccc(Oc2ccccc2F)cc1OCC(C)NN
43781 OC(=O)C(N1Cc2ccccc2C1=O)c1ccc(F)cc1
43782 CC(N1Cc2ccccc2C1=O)C(O)=O
43783 COc1ccccc1NC(=S)NNC(=O)c1nn(C)c(C)c1Br
43784 Cc1nn(C)cc1C(=O)NNC(=S)Nc1ccc(C)cc1
43785 Cc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1
43786 Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc(Br)o2)c1
43787 CCc1c(C)scc1C(=O)NNC(=S)NCC1CCCO1
43788 Clc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
43789 O=C(CCc1ccccc1)Nc1nnc[nH]1
43790 COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
43791 CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
43792 CCN(CC)CCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
43793 Cc1ccc(c(C)c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
43794 CC(=O)NNc1ncnc2n(ncc12)-c1ccc(C)cc1
43795 Cc1cc([nH]n1)C(=O)NNC(=O)COc1cc(C)cc(C)c1
43796 COc1ccc(cc1OC)C(=O)NNC(=S)NC1CCCCC1
43797 COc1ccc(cc1)C(NC(=O)NC(C)(C)c1cccc(c1)C(C)=C)c1ccccc1
43798 C(Cn1c(NCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc12)N1CCCCC1
43799 CCc1ccc2nc(Nc3nc(COC)cc(=O)[nH]3)nc(C)c2c1
43800 COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1
43801 [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
43802 CC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
43803 CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
43804 Cn1cc(Br)c(n1)C(=O)NNC(=O)c1cccc(Br)c1
43805 CCNC(=S)NNC(=S)NCc1ccccc1
43808 CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl
43809 CCNC(=S)NNC(=O)c1cc(nc2ccccc12)C1CC1
43810 Cc1nn(C)c(C(=O)NNC(=S)Nc2ccc(C)cc2)c1Cl
43811 Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccc(C)cc1
43812 Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
43813 Cc1ccccc1-n1nc(CSc2nc3ccccc3[nH]2)c(c1N)-c1ccccc1
43814 CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12 |w:8.8|
43815 CCN(CC(=O)Nc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1
43816 Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
43817 Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
43818 CCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C\c1oc2ccc(cc2[n+]1CC)-c1ccccc1
43819 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccs1
43820 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1Cl
43821 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1
43822 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
43823 O=C(Nc1ccc2OCCOc2c1)c1cccc(c1)S(=O)(=O)N1CCCCC1
43824 CC(C)CC(=O)NC(N)=Nc1nc2ccccc2s1 |w:9.9|
43825 COC(=O)C(C=Nc1cccc(Cl)c1C)c1ncc(cc1Cl)C(F)(F)F |w:6.6|
43826 CCN(CC)S(=O)(=O)c1ccc2n(c(SC(C)C(N)=O)nc2c1)-c1ccc(OC)cc1
43827 OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1
43828 Fc1ccc(CSCC(=O)Nc2nc3CCCCc3s2)cc1
43829 Oc1ccccc1N1CCN(CC1)C(=O)c1ccc2ccccc2n1
43830 CCCCCOCC1CC(CC(C)N=Nc2nc(cs2)-c2ccccc2)C(=O)O1 |w:13.12|
43831 COC(=O)c1cc2C(=O)N(Cc3ccc(F)cc3)CCn2n1
43832 CCOC(=O)C1(CC1c1ccccc1)C(=O)OCC
43833 CC1(C)CC(=O)C=C(C1)NNC(=O)c1ccccc1O |c:6|
43834 COc1cc(CN2CCN(CC2)c2ccc(C)cc2)cc(c1O)[N+]([O-])=O
43835 [O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)NC1CCCCC1
43836 COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3cccnc23)c1
43837 CCOC(=O)CN1[C@H](C)[C@@H]([C@H](CCc2ccccc2)NC1=O)C(=O)OC
43838 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CC1)c1ccc(OC)cc1 |c:16,19,t:14|
43839 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
43840 CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)N1CC(C)OC(C)C1 |w:6.6|
43841 CC(=O)N(c1nc(\C=C\C(O)=O)cs1)c1cccc(c1)C(F)(F)F
43842 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1
43843 OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1cccnc1
43844 Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1F
43845 CCOC(=O)C(NNc1ccccc1Cl)=NCC1CCCO1 |w:15.16|
43846 O=C(NC1=NCCS1)c1cccc(c1)N1C(=O)c2ccccc2C1=O |t:3|
43847 CC(C)(C)NC(=O)NC(=O)COC(=O)CCC1CCCC1
43848 CC(C)N(C(C)C)S(=O)(=O)c1ccc(NN)nc1
43849 CC(Sc1nc(C)cs1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
43850 Oc1ccc(cc1)N1CCN(CC1)C(=O)\C=C\c1cccs1
43851 CN(Cc1cccs1)C(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1
43852 Cc1ccc(cc1)-c1nc(sc1CC(O)=O)-c1ccccn1
43853 COc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
43854 COc1ccc(cc1OC)C(=O)NN=Cc1ccccc1C(O)=O |w:13.13|
43855 O=C(Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1)C1COc2ccccc2O1 |t:14|
43856 CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|
43857 CCN(CC(=O)NCCc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1
43858 CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(Cc3ccc(nc3)N3CC=CC=C3)cnc2[nH]1 |c:37,39|
43859 COc1ccc(cc1)-n1cnnc1SCC(=O)Nc1cc(C)on1
43860 CC(=O)Nc1ccc(NC(=O)c2ccc(Cl)nc2)cc1
43861 CC[N+](C)(CC)CCCCOc1ccc2-c3ccc(OCCCC[N+](C)(CC)CC)cc3C(=O)c2c1
43862 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(CCSC)NC(N)=O)cc2)cc1
43863 COc1ccc(OC)c(Nc2nc(NCCCN(C)C)nc(N)c2[N+]([O-])=O)c1
43864 Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34|
43865 COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
43866 CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
43867 CC(C)C(NC(=O)C(NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)c1ccccc1)[C@H](C)O)C(=O)NC([C@H](C)O)C(=O)N[C@@H](Cc1ccc(cc1)N(=O)=O)C(N)=O |r|
43868 Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1 |(8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;7.08,-2.4,;7.08,-3.94,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,2.99,;12.42,2.22,;13.75,2.99,;15.08,2.22,;16.42,2.99,;16.42,4.53,;15.08,5.3,;17.75,5.3,;19.08,4.53,;20.46,5.35,;21.86,4.56,;21.86,2.96,;20.46,2.16,;19.08,2.99,;17.75,2.22,;17.75,.68,;12.42,.68,;11.08,-.09,;7.08,.68,;5.75,-.09,;4.41,.68,;4.41,2.22,;3.08,2.99,;5.75,2.99,;7.08,2.22,)|
43869 CC(C)c1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
43870 Cc1cccc(N2CCN(CC2)C(=O)CCCn2c(=S)[nH]c3cc4OCOc4cc3c2=O)c1C
43871 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c1cccc(c1)C(F)(F)F)C(C)C
43872 CCOc1ccc2nc(Sc3cc(O)n(c3O)-c3cccc(OC)c3)sc2c1
43873 NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3|
43874 CCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(C)c1
43875 Clc1cccc(C=NNC(=S)NCCc2ccccc2)c1Cl |w:7.7|
43876 COc1ccc(Cn2c3ccccc3[nH]c2=S)cc1
43877 COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C
43878 Oc1ccccc1C(=O)CC(=O)C=Cc1ccccc1 |w:12.12|
43879 [O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2ccccc2Cl)n1
43880 CC(=NNC(=O)c1ccc2OCOc2c1)c1ccc(Br)s1 |w:2.2|
43881 CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2)c1
43882 O=C(NC(=S)Nc1cccc2cccnc12)c1cccs1
43883 Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
43884 [O-][N+](=O)c1ccc(cc1)-c1cn(-c2ccccc2F)c(=S)[nH]1
43885 Fc1cccc(F)c1C=NNC(=S)Nc1cccnc1 |w:9.10|
43886 CC(C)c1ccc(OCC(=O)NNC(=O)c2cnccn2)cc1
43887 Oc1ccccc1CN=Nc1nc2ccccc2o1 |w:9.10|
43888 COc1ccccc1N1CCN(CC1)C(=S)NC(=O)\C=C\c1ccccc1
43889 S=c1nc(cc[nH]1)-c1ccc2OCCc2c1
43890 CC(C)c1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
43891 Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1
43892 Fc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCCc4ccccc24)c3=O)cc1
43893 Clc1ccc(cc1)C(=O)Cn1cnc2n(Cc3ccccc3)nnc2c1=O
43894 O=C(Cn1cnc2n(Cc3ccccc3)nnc2c1=O)N1CCCc2ccccc12
43895 CCOc1ccc(cc1)-n1c(O)c2Sc3[nH]c(=O)sc3C(C=Cc3ccccc3)c2c1O |w:21.22|
43896 [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
43897 O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nc2CCCCc2s1
43898 Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1
43899 Cc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
43900 OC(=O)c1c(NC(=O)\C=C\c2ccccc2)scc1-c1ccccc1
43901 Fc1ccc(CSc2ccccc2C(=O)NCCOc2ccccc2F)cc1
43902 Cc1ccc(Nc2nnc(SCC(=O)c3cc4ccccc4o3)s2)cc1C
43903 CCCn1c(N)c(C(=O)CSc2nnc(Cc3ccccc3)o2)c(=O)n(C)c1=O
43904 Fc1ccc(cc1)-c1csc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)n1
43905 CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCCc1ccccn1
43906 CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCC2)c(c1)[N+]([O-])=O
43907 Clc1c(sc2ccccc12)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
43908 Cc1nc(CC(=O)Nc2nc(cs2)-c2ccccc2)cs1
43909 OC(=O)CCn1c(SCc2cccc3ccccc23)nc2ccccc12
43910 Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1
43911 O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1CCCCC1
43912 Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
43913 Fc1ccccc1CCNS(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
43914 Fc1ccccc1N1CCN(CC1)C(=O)Cn1nnc2n(ncc2c1=O)-c1ccccc1
43915 O=S1(=O)N=C(N2CCN(Cc3ccccc3)CC2)c2ccccc12 |t:3|
43916 CC1Cc2ccccc2N1C(=O)CSc1nnnn1Cc1ccccc1
43917 COc1ccc(cc1)C(=O)CSc1nnnn1Cc1ccccc1
43918 COc1ccc(OC)c(c1)-n1nnnc1SCC(=O)NCCc1ccccc1
43919 Sc1nnc(COc2ccc(Cl)cc2)o1
43920 COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc12
43921 CN(C)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2cc(C)ccc12
43922 Cn1nccc1C(=O)OCC(=O)Nc1nc(cs1)-c1ccccc1
43923 CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1
43924 Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)o1
43925 CC(=C)Cn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1
43926 CC1CCN(CC1)C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
43927 Cc1cccc(OCCc2nnc(N)s2)c1C
43928 Oc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
43929 CCn1nnnc1SCC(=O)Nc1nc(cs1)-c1cccs1
43930 O=S(=O)(NC1CCCC1)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2ccccc12
43931 Fc1ccccc1N1CCN(CC1)C(=O)Cn1c(noc1=O)-c1ccc(Cl)cc1
43932 CCN(CC)c1ccc2c(C)c(-c3ccc(N)cc3)c(=O)oc2c1
43933 COc1ccc(cc1)C(=O)N1CCCC(C1)c1ccccc1
43934 N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1
43935 COc1ccccc1-c1nc(C#N)c(o1)N1CCC(Cc2ccccc2)CC1
43936 C(Nc1ccc2n(cnc2c1)-c1ccccc1)c1ccncc1
43937 CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(o2)-c2ccccc2Br)C1=O
43938 O=C(NCCc1c[nH]c2ccccc12)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
43939 Clc1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
43940 CC1Cc2ccccc2N1C(=O)COC(=O)CCOc1ccc(C)cc1
43941 Cc1c(N=C2Nc3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C |w:3.2|
43942 Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
43943 CCC(N(C)C)c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1
43944 O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1
43945 O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
43946 S(c1nnc([nH]1)-c1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
43947 Fc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCN(CC2)c2ccccc2)c3=O)cc1
43948 O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nonc12)N1CCC(Cc2ccccc2)CC1
43949 O=C(N1CCC2(CC1)OCCO2)c1cc2COc3ccccc3-c2s1
43950 Brc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCC2(CC1)OCCO2
43951 CCOc1ccccc1CNC(=O)C1CCN(CC1)c1nc2ccccc2o1
43952 O=C(Cn1nc(ccc1=O)-c1ccccc1)NCc1ccc2OCOc2c1
43953 Fc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)sc2c1
43954 Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccc4OCOc4c2)c3=O)cc1
43955 O=C(CC(C(=O)N1CCc2ccccc12)n1ccnc1)N1CCc2ccccc2C1
43956 Cc1noc(\C=C\c2ccco2)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
43957 O=C(CCCn1ncn2c3ccoc3cc2c1=O)N1CCc2ccccc2C1
43958 O=C(C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc2C1
43959 CCn1c2ccc(cc2n(CC)c1=O)S(=O)(=O)N1CCC(CC1)c1ccccc1
43960 CCOc1cc(ccc1F)S(=O)(=O)NCc1ccccc1
43961 O=C(CSc1nccn1CCc1ccccc1)Nc1ccccc1C#N
43962 N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1cccs1
43963 O=C(CSc1nnnn1-c1ccccc1)Nc1nsc(n1)-c1ccccc1
43964 Cc1ccc(cc1)-c1noc(CN2CCN(Cc3ccccc3)CC2)n1
43965 Sc1nnc(Cc2c[nH]c3ccccc23)o1
43966 Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
43967 Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1N1CCN(CC1)c1ccccn1
43968 COc1ccc(cc1)-c1nc(CS(=O)CC(=O)N2CCc3ccccc3C2)c(C)o1
43969 Cc1oc(nc1CS(=O)(=O)CC(=O)NCc1ccccc1)-c1ccccc1C
43970 Cc1oc(nc1CS(=O)CC(=O)N1CCc2ccccc2C1)-c1cccc(C)c1
43971 Cc1oc(nc1CS(=O)CC(=O)N1CCc2ccccc2C1)-c1ccccc1
43972 Cc1oc(nc1CS(=O)CC(=O)NCc1ccccc1)-c1ccccc1C
43973 O=C(NCCc1csc(n1)-c1ccccc1)c1cccs1
43974 Cn1cc(SCC(=O)N2CCN(CC2)c2ccccc2)c2ccccc12
43975 O=C(Cn1cnc2n(nnc2c1=O)-c1ccccc1)NCCc1ccccc1
43976 C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N
43977 O=C(Nc1ccc2oc(nc2c1)-c1ccccc1)c1ccncc1
43978 CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1nc(cs1)-c1ccccc1
43979 Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1C
43980 Clc1ccccc1OCc1ccc(o1)C(=O)OCc1ccccn1
43981 Cc1ccc(cc1)S(=O)(=O)N1CCN(C(COCc2ccccc2)Cc2ccccc2)C(=O)CC1
43982 COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2ccc(Br)cc2C1=O)c1cccc(OC)c1)C(C)C
43983 Cc1cc(C)c(C#N)c(n1)N1CCN(Cc2ccccc2)CC1
43984 Cc1ccc(cc1)C(=O)Nc1nc(=O)n(s1)C(=O)c1ccccc1Cl
43985 Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)NCc2ccc3OCOc3c2)c1
43986 COc1ccc(cc1Cl)S(=O)(=O)N(CCc1ccccc1)CC(O)=O
43987 COc1ccc(cc1C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1
43988 Cc1ccc(cc1)C(=O)CC=Nc1ccccc1C(N)=O |w:11.12|
43989 COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1
43990 CCC(Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
43991 COc1cc(C=NN(C)c2ccccc2)ccc1O |w:6.6|
43992 CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccc(F)cc1)c1ccc(F)c(Cl)c1
43993 Cc1ccc(cc1)S(=O)(=O)N(CCC(O)=O)Cc1ccc(Cl)cc1
43994 Cc1[nH]c2ccccc2c1Cc1nnc(S)o1
43995 COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(=O)N1CCc2ccccc2C1 |t:12|
43996 Cc1[nH]c2ccccc2c1SCC(=O)N1CCN(CC1)c1ccccc1
43997 Cn1c(SCc2ccccc2Cl)nc2ccccc12
43998 Cc1ccc(cc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
43999 N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCOCC1
44000 Clc1ccccc1C(=O)NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
44001 O=C(NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O)c1ccccc1
44002 C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc2ccccc2c1
44003 Cc1ccc(C)c(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2ccccc2)c1
44004 O=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1
44005 Oc1c2Sc3[nH]c(=O)sc3C(c2c(O)n1-c1ccccc1)c1ccccc1
44006 Cc1ccc(cc1)-c1nn(Cc2ccccc2)cc1\C=C\C(O)=O
44008 Cc1cc2ccccn2c1C(=O)c1nc(ncc1Cl)N1CCOCC1
44009 CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
44010 COc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
44011 Cc1nn(c(C)c1NS(=O)(=O)c1ccc2ccccc2c1)-c1ccc(F)cc1
44012 CCn1nc(c(C(C#N)c2nc3ccccc3s2)c(Cl)c1=O)[N+]([O-])=O
44013 Cc1nn(C)c(C)c1C=C1SC(S)=NC1=O |w:8.8,c:13|
44014 Fc1ccccc1CSc1nncn1NC\C=C\c1ccccc1
44015 [O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccc(Cl)cc1 |w:10.11|
44016 COc1ccc(cc1)-c1cc(CNC(=O)CN(C)Cc2ccccc2)on1
44017 NC(=O)COc1ccccc1\C=C1\SC(=O)N(CC(=O)N2CCc3ccccc3C2)C1=O
44018 [O-][N+](=O)c1ccccc1[C+]1CC(O[N-]1)C(=O)NCCCCc1ccccc1
44019 CC(=NNC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|
44020 O=C(NNc1nc(cs1)-c1ccccc1)c1ccccc1
44021 Cc1c(N2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C
44022 Cc1cc(ccc1NCc1ccccc1)[N+]([O-])=O
44023 CNC(=O)C(\NC(=O)c1ccc(cc1)[N+]([O-])=O)=C/C=C/c1ccccc1
44024 CCOc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1
44025 CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(F)cc2)cc1
44026 Fc1ccc(CSc2nncn2NC\C=C\c2ccccc2)cc1
44027 CCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1
44028 Brc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)OCc2ccccc2)cc1
44029 C(N=Nc1nc(cs1)-c1ccccc1)c1ccco1 |w:2.2|
44030 NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc12 |w:4.3|
44031 [O-][N+](=O)c1cccc(\C=C\C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1
44032 [O-][N+](=O)c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1
44033 CCCn1c(NC(=S)Nc2ccccc2)nc2ccccc12
44034 COc1cc(C=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc3OCCOc3c2)ccc1O |w:6.6|
44035 O=C(NCC1CCCO1)C(N(C1CCCC1)C(=O)c1ccc([nH]1)-c1ccccc1)c1cccs1
44036 CC(C)(C)NC(=O)C(N(CC1CCCO1)C(=O)c1ccc([nH]1)-c1ccccc1)c1cccs1
44037 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(Cc2ccncc2)cc1
44038 [O-][N+](=O)c1cc(ccc1N1CCCCCC1)C(=O)N1CCc2ccccc12
44039 CC1CCN(CC1)C(=O)c1ccc(SCc2ccccc2F)c(c1)[N+]([O-])=O
44040 CC(C)OCCCNC(=O)CN1C(=O)\C(Sc2ccccc12)=C/c1ccc(C)cc1
44041 COc1cccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)c1OC
44042 Brc1ccc(cc1)C(=O)N\C(=C/c1ccccc1)C(=O)NCC(=O)OCc1ccccc1
44043 CCCC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:8,t:3|
44044 Cc1ccc2oc(nc2c1)-c1ccc(C)c(NC(=S)NC(=O)c2cccs2)c1
44045 O=C(CSc1ccc(nn1)-c1ccccc1)Nc1ccc2OCCOc2c1
44046 O=C(CSc1ccc(nn1)-c1ccccc1)c1ccccc1
44047 OCCNc1ccc(cc1C(=O)OCC(=O)c1ccccc1)[N+]([O-])=O
44048 CS\C(NS(=O)(=O)c1cccs1)=N/Cc1ccc(F)cc1
44049 [O-][N+](=O)c1ccc(NCc2ccccc2)c(c1)C(=O)OCC(=O)NC1CCCCC1
44050 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)OCC(=O)N1CCc2ccccc2C1
44051 COc1cc(cc(OC)c1OC)-c1nnc(CSc2nnc(Nc3ccc(cc3)C(C)C)s2)o1
44052 CN1\C(=C/C(=S)NC(=O)c2cccc(Br)c2)C(C)(C)c2ccccc12
44053 CC1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
44054 COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1ccc(OCc2ccc(cc2)C(O)=O)c(OC)c1
44055 CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
44056 COc1ccc(cc1)N1C(=S)N=C(Nc2cccc(C)c2)C11CCCCC1 |t:12|
44057 CNc1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
44058 Cc1ccc(cc1)-c1csc(NC(=O)CCNC(=O)c2ccccc2Cl)n1
44059 COc1ccc(cc1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
44060 Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c(C)c1
44061 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSc1ccccc1C(=O)NCc1ccccc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,2:1:9:3.12.5|
44062 O=C(CSc1ccccc1C(=O)NCc1ccccc1)NC1CCCCCCC1
44063 COc1cccc(Nc2nnc(S)s2)c1
44064 CC(C)NC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:8,15|
44065 Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1C
44066 CCc1ccc(cc1)C(=O)COC(=O)c1cc(ccc1NCCO)[N+]([O-])=O
44067 CC(=NNC(=S)Nc1c(C)cccc1C)c1cc2ccccc2o1 |w:2.2|
44068 Fc1ccc(CNC(=O)Cc2csc(n2)-c2ccccc2)cc1
44069 CC(C)(CNC(=S)NCCc1ccccc1)CNC(=S)NCCc1ccccc1
44070 CCc1ccc(Nc2nnc(SCC(=O)Nc3sccc3C(N)=O)s2)cc1
44071 COc1ccc(cc1)-n1cnnc1SCC(=O)Nc1cc(ccc1C)S(=O)(=O)N1CCCCC1
44072 CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1
44073 CN(c1ccccc1)c1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
44074 Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)s2)cc1
44075 Cc1onc(C(=O)N2CCN(Cc3ccccc3)CC2)c1[N+]([O-])=O
44076 Sc1nnc(CCc2ccc(Cl)cc2)o1
44077 COc1cc(ccc1OC(=O)Cc1ccc(F)cc1)C(=S)N1CCOCC1
44078 Sc1nnc(Cc2cccc3ccccc23)o1
44079 O=C(NC1CCCC1)C(N(Cc1ccco1)C(=O)c1ccc([nH]1)-c1ccccc1)c1ccncc1
44080 O=C(COc1ccccc1)C(C#N)c1nc2ccccc2s1
44081 CCOC(=O)c1cc2n(ccc2n1CC(=O)NC(C)(C)C)-c1ccc(F)cc1
44082 COc1ccc(cc1)-c1cc(CCCC(=O)NCCc2ccccc2)no1
44083 Cn1cc(C(=O)C(=O)N2CCCc3ccccc23)c2ccccc12
44084 Fc1cccc(F)c1OCc1cc(no1)C(=O)NCCc1cn2ccccc2n1
44085 O=C(C1CCCN(Cc2ccncc2)C1)c1ccc(cc1)-c1ccccc1
44086 O=C(COc1ccc2ccccc2c1)NN=Cc1ccccn1 |w:15.16|
44087 CC(C)Oc1ccccc1OCCCOc1cccc2cccnc12
44088 COCCNS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1
44089 S=C(NCc1cccnc1)Nc1ccc(Oc2ccccc2)cc1
44090 Fc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)-c1nc2ncccc2o1
44091 Cc1ccc(CSCCNC(=O)c2ccc(C)cc2)cc1
44092 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(F)cc1)c1c(C)[nH][nH]c1=O
44093 Clc1ccccc1CNC(=S)Nc1ccccc1Cl
44094 OC(=O)c1cc(ccc1NCc1ccccc1)[N+]([O-])=O
44095 O=C(CN(c1ccc2OCCOc2c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1
44096 COc1ccccc1C(=O)NC1CCN(CC1)C(=S)NCCc1ccccc1
44097 CCc1cc(no1)C(=O)N1CCCC(CNC(=O)c2ccc(cc2)-c2ccccc2)C1
44098 O=C(NCC1CCCN(C1)C(=O)c1cccnc1)c1ccc(cc1)-c1ccccc1
44099 CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCC(CNC(C)=O)C1
44100 O=C(NCc1nc(cs1)-c1ccccc1)c1ccccc1
44101 CN(Cc1ccccc1)c1nc2nonc2nc1N1CCCC(CN2CCCC2=O)C1
44102 CN(Cc1ccc(C)o1)C(=O)c1cc(COc2ccc(F)cc2Cl)on1
44103 CSCCC(=O)N1CCCC(CNC(=O)c2ccc(cc2)-c2ccccc2)C1
44104 CC(=O)NCCC(=O)N1CCCC(CNC(=O)c2ccc(cc2)-c2ccccc2)C1
44105 CC(NC(=O)CCc1nnc(o1)-c1ccc(cc1)-c1ccccc1)c1nccs1
44106 Fc1cccc(F)c1OCc1cc(no1)C(=O)NCCCn1ncc2ccccc12
44107 CC(C)C(N1C(=S)S\C(=C/C(/C)=C/c2ccccc2)C1=O)C(O)=O
44108 Oc1cc2ccccc2cc1Nc1c([N+]([O-])=O)c(=O)oc2ccccc12
44109 [O-][N+](=O)c1cccc(c1)-c1csc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)n1
44110 Cc1ccc(\C=C2/SC(=S)N(\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)C2=O)o1
44111 Clc1ccc(OCc2ccc(o2)C(=O)NCc2cccnc2)c(Cl)c1
44112 Sc1nnc(CNc2cccc(Cl)c2)o1
44113 CSc1ccccc1NC(=S)Nc1ccc(cc1)S(N)(=O)=O
44114 Fc1ccc(CSc2ccccc2C(=O)N2CCOCC2)cc1
44115 Sc1nnc(o1)C1(CCCC1)c1ccccc1
44116 Cc1cc(NC(=O)CSc2ccc(nn2)-c2ccc(F)cc2)no1
44117 CCOC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
44118 Cc1ccc(cc1)C1=CSC2=NNC3(CCCCC3)NN12 |t:8,11|
44119 CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(=O)NC(=S)N1CCCC1 |TLB:13:10:2:6.8.5,13:10:8:3.2.5,7:6:2:10.11.12,12:10:8:3.2.5,THB:12:3:8:10.11.9,9:10:2:6.8.5,4:3:8:10.11.9|
44120 CC(C)c1ccc(C=NNC(=O)c2ccccc2Cl)cc1 |w:8.8|
44121 CN(C)CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O
44122 COc1cc(cc(OC)c1OC(=O)Cc1ccccc1)C(=S)N1CCOCC1
44123 O=C(CCSCCc1ccccn1)Nc1ccc(Cc2ccncc2)cc1
44124 CC(C)(C)NC(=O)C(N(Cc1ccco1)C(=O)c1ccc([nH]1)-c1ccccc1)c1ccncc1
44125 CCOc1ccc(cc1)C(CC(O)=O)NC(=O)C(Sc1ccccc1)c1ccccc1
44126 Fc1ccccc1NC(=O)CSc1ccc(nn1)-c1cccs1
44127 COc1cccc(CNC(=O)CSc2ccc(nn2)-c2cccs2)c1
44128 [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccccn1
44129 CC(C)N1C(=O)S\C(=C\c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O
44130 CN(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1cccc2nsnc12
44131 Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccc(Cl)cc1
44132 Oc1ccccc1C(=O)NN=Cc1ccccn1 |w:10.10|
44133 Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccco2)cc1
44134 COc1ccc(OC)c2sc(NNC(=O)COc3ccccc3)nc12
44135 [O-][N+](=O)c1ccc2NC(=O)C(CCN3CCN(Cc4ccccc4)CC3)Oc2c1
44136 Fc1ccccc1-c1nc2cc(NC(=O)c3ccco3)ccc2o1
44137 Sc1nnc(Nc2ccccc2)s1
44138 CCOc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(F)cc1F |w:16.18|
44139 Fc1cccc(c1)C(=O)C(C#N)c1nc2ccccc2s1
44140 Oc1c2CCCCc2c(O)n1-c1ccc(NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
44141 Cc1cccc(NC2=NN=C(CS2)c2ccccc2F)c1C |c:9,t:7|
44142 CC1Cc2ccccc2N1C(=O)\C=C\c1cccc(F)c1
44143 O=C(\C=C\c1ccco1)N1CCC(Cc2ccccc2)CC1
44144 CC(NC(C)=O)C(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
44145 CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc3c(cc2Cl)N2CCCCC=C2NS3(=O)=O)c1 |c:27|
44146 Cc1ccc(NC(=O)CCCSc2ccccc2)cc1S(=O)(=O)N1CCOCC1
44147 OC(=O)CC\C(=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1
44148 OC(=O)CC\C(=C/c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
44149 OC(=O)\C=C\c1cn(Cc2ccccc2Cl)nc1-c1ccccc1
44150 Sc1nnc(o1)-c1nn(Cc2ccccc2)c(=O)c2ccccc12
44151 CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1nc2ccccc2[nH]1
44152 OC(=O)CC\C(=C/c1ccc(N2CCCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
44153 OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1c(Cl)cccc1Cl
44154 OC(=O)\C=C\c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
44155 OC(=O)CC\C(=C/c1ccccc1[N+]([O-])=O)c1nc2ccccc2s1
44156 COc1ccc(cc1)-c1nnc(S\C(=C\c2ccc(Cl)cc2)C(O)=O)o1
44157 Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O
44158 Fc1ccc(cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
44159 COc1ccc(NC(=S)NC(N)=Nc2nc(C)c3ccccc3n2)cc1 |w:12.12|
44160 COc1ccccc1NC(=S)NNC1=c2cc(Br)ccc2=NC1=O |c:14,22|
44161 Clc1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccco1 |w:13.14|
44162 Clc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
44163 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)NCCSCc1ccc(F)cc1
44164 Clc1cccc(NC(=S)NN=Cc2cccc3ccccc23)c1 |w:10.9|
44165 COC(=S)Nc1ccsc1C(=O)OC
44166 O=C(NNc1nc(cs1)-c1ccccc1)c1cccs1
44167 CSc1sc(c2CCC=Cc12)-c1n[nH]c(=S)n1C |c:8|
44168 CC(C)c1ccc(NC(=S)NC(=O)c2c(C)onc2-c2ccccc2Cl)cc1
44169 CCCCCN1C\C=C/C(N(Cc2ccc(F)cc2)C(=O)C1)c1ccc(OC)cc1 |c:7|
44170 CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(O)=O
44171 CN1C(Sc2ccccc12)=CC(=O)C1CCC1 |w:10.12|
44172 Fc1ccc(Cn2nnc3c2nc([nH]c3=O)C(=O)NCc2cccs2)cc1
44173 CC1CCCCN1C(=O)CSc1ccc(nn1)-c1ccc(F)cc1
44174 CCCCC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1ccco1
44175 COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1F)c1nnnn1Cc1cccs1
44176 CC1CCCCN1C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
44177 O=C(Cn1nnc(n1)-c1ccccc1-n1cnnn1)NCc1ccccc1
44178 Cc1nc2cc(ccc2n1C1CCN(Cc2nnnn2Cc2ccc3OCOc3c2)CC1)C(F)(F)F
44179 O=C(CSc1nnc(CNc2ccccc2)o1)N1CCCc2ccccc12
44180 CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCC(Cc2ccccc2)CC1
44181 CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc(O)c(OC)c1
44182 Cc1cccc(OCc2nnc(SCC(=O)c3cccs3)n2C)c1C
44183 Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
44184 N#Cc1nc(oc1N1CCN(Cc2ccccc2)CC1)-c1ccco1
44185 O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)NC(=O)NC1CCCCC1
44186 O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCc2ccccc2C1
44187 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)n1
44188 Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)no1
44189 Cc1nnc(NC(=O)c2ccc3ccccc3c2)o1
44190 Cc1nn(c(C)c1NS(=O)(=O)c1ccc(Cl)cc1)-c1ccc(F)cc1
44191 CC(N1C(=O)C2CC=CCC2C1=O)C(=O)N=c1sc2ccccc2n1C |w:15.16,c:7|
44192 O=c1cc(CSc2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)n12
44193 CN(CC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)S(=O)(=O)c1cccc2nsnc12
44194 Cc1cccc(N2CCN(CC2)C(=O)Cn2ccc3ccccc3c2=O)c1C
44195 Fc1ccc(cc1C(=O)NCCSCc1ccccc1)S(=O)(=O)N1CCOCC1
44196 COc1ccc(cc1)N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1c(C)n[nH]c1C
44197 Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccco2)c3=O)cc1
44198 Cc1noc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
44199 Brc1ccccc1OCc1ccc(o1)C(=O)NCc1cccnc1
44200 O=C(C1CCN(CC1)c1nnc(s1)-n1cccc1)N1CCc2ccccc2C1
44201 CCC(Sc1nc(C)cc(=O)[nH]1)C(=O)Nc1sc2CCCCc2c1C#N
44202 COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
44203 CC(CCc1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccc(NC(C)=O)cc1
44204 CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1)c1cccc(Br)c1
44205 O=C(CSc1nccc(=O)[nH]1)N1CCc2ccccc2C1
44206 CC1Cc2ccccc2N1C(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
44207 COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(=O)NCCc1ccccc1 |t:12|
44208 Clc1ccc(Cl)c(OCc2ccc(o2)C(=O)Nc2cccnc2)c1
44209 CCOC(=O)c1c(C)[nH]c(N=Nc2ccccc2)c1C |w:10.9|
44210 CSc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1
44211 Oc1c(C=NNC(=O)Cn2nc3ccccc3n2)cc(Cl)cc1[N+]([O-])=O |w:4.4|
44212 Cc1nn2c([nH]c(=O)c3ccccc23)c1C=O
44213 [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccc(Br)cc1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
44214 CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(C1)C(F)(F)OC(F)(F)F |t:1|
44215 C(N=Nc1nc(cs1)-c1ccccc1)c1cccnc1 |w:2.2|
44216 O=C(NN=Cc1ccc(OCc2ccccc2)cc1)c1cc[n+](Cc2ccccc2)cc1 |w:3.2|
44217 CC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 |w:2.2|
44218 CN1C(=S)N\C(=C/c2ccccc2OCc2ccccc2)C1=O
44219 Clc1ccc(cc1)C(=O)NC(=S)Nc1ccc2OCOc2c1
44220 O=C(CSc1ccc(nn1)-c1ccccc1)N1CCCc2ccccc12
44221 COc1cc(cc(OC)c1OC(=O)Cc1ccc(F)cc1)C(=S)N1CCOCC1
44222 CCOc1ccc(Nc2nnc(S)s2)cc1
44223 [O-][N+](=O)c1ccc2n(c(SCC(=O)NC(=O)NCC=C)nc2c1)-c1cccc(c1)C(F)(F)F
44224 S=C(NCCc1ccccc1)NCc1cccs1
44225 [O-][N+](=O)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
44226 COc1ccc(CN(C(C(=O)NC(C)(C)C)c2ccncc2)C(=O)c2ccc([nH]2)-c2ccccc2)cc1
44227 CC(C)c1onc(C(=O)NCCc2ccccc2)c1[N+]([O-])=O
44228 Fc1cccc(F)c1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1
44229 Cc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O
44230 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1ccc(Cc2ccncc2)cc1
44231 Oc1ccc2c(c1)occ(-c1cnn(c1)-c1ccccc1)c2=O
44232 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccc(Cl)cc2)s1 |w:6.6|
44233 O=C(Cn1c(noc1=O)-c1ccccc1)N1CCC(Cc2ccccc2)CC1
44234 CN(C)S(=O)(=O)N(CC(=O)NCCSCc1ccccc1)c1ccccc1
44235 CN1c2ccccc2Oc2nnc(cc12)N1CCN(Cc2ccccc2)CC1
44236 O=C(C[n+]1ccccc1)c1ccc(cc1)-c1ccccc1
44237 Fc1ccc(cc1C(=O)NCCc1ccccc1)S(=O)(=O)N1CCC2(CC1)OCCO2
44238 Fc1ccc(cc1)-c1csc(NNC(=O)c2ccccc2)n1
44239 Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N
44240 [O-][N+](=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
44241 CCC(CC)NC(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
44242 CC(CCc1ccccc1)NC(=O)c1cc(C)ccc1C
44243 CC(C)CCNC(=O)COC(=O)\C=C\c1ccc2ccccc2n1
44244 COc1ccc(cc1)S(=O)(=O)N(CCC(O)=O)Cc1ccccc1
44245 COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(Cl)cc1 |w:22.25|
44246 COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1CN1CCOCC1
44247 Clc1ccc(C=NNC(=O)C2COc3ccccc3O2)s1 |w:6.6|
44248 NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
44249 CN1C(CC2Cn3c(nc4cc(Cl)c(Cl)cc34)C12)C(=O)NCc1ccccc1
44250 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)cc1
44251 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccc(F)c1
44252 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccc(F)c(F)c1
44253 CCOC(=O)N1CCC(CC1)NCCNC(=O)c1cccc(OC)c1
44254 OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNC(C)C(=O)NC(C1CCCCC1)C(=O)N1CCCC1C(=O)NC(C(c1ccccc1)c1ccccc1)C(=O)NCCCCCNC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(C)NC)C1CCCCC1)C(c1ccccc1)c1ccccc1
44255 CNC(C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)(C)C
44256 CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
44257 CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
44258 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
44259 CN[C@@H](C)C(=O)NC(C1CCCCC1)C(=O)C1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44260 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
44261 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccncc1
44262 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
44263 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44264 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
44265 CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44266 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44267 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44268 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44269 CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2cc(Cc3ccc4C=CCNc4n3)cnc2[nH]1 |c:32|
44270 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
44271 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1
44272 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ncccc12
44273 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12
44274 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44275 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
44276 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccccc1
44277 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ncccc2c1
44278 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12
44279 CC(C)[C@@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
44280 C[C@H](N)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
44281 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44282 C[C@H](N)C(=O)N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44283 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
44284 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1
44285 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1
44286 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
44287 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)Nc1cccc2ccccc12
44288 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1cccc(F)c1
44289 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
44290 CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)Nc2cccc3ccccc23)C1=O
44291 CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44292 CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
44293 CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44294 CN[C@@H](C)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44295 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
44296 CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44297 CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44298 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N[N+](O)=O)C(=O)NNc1ccccc1 |w:18.17|
44299 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN=C(N)N[N+](O)=O)C(=O)NC1CCCc2ccccc12 |w:18.17|
44300 CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccccc2)C1=O
44301 [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#7]-c1ccccc1
44302 [#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-c2ccccc-12
44303 CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
44304 CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)Nc2cccc3ccccc23)C1=O
44305 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+]([O-])=O)c2ccccc12
44306 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(Br)c2ccccc12
44307 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2cc3ccccc3cc12
44308 CN[C@@H](C)C(=O)Nc1cccn(CC(=O)NC2CCCc3ccccc23)c1=O
44309 CN[C@@H](C)C(=O)Nc1cccn(CC(=O)NNc2ccccc2)c1=O
44310 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCc1cccc2ccccc12
44311 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
44312 CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)NNc1ccccc1
44313 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NC1CCc2ccccc2C1
44314 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1
44315 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC(c1ccccc1)c1ccccc1
44316 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NC1CCc2ccccc2C1
44317 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC1CCc2ccccc2C1
44318 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1
44319 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1ccc(Cl)c(Cl)c1
44320 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)c1
44321 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NNCc1ccccc1
44322 CN[C@@H](C)C(=O)N[C@H]1CCCCN([C@H](C)C(=O)NNc2ccccc2)C1=O
44323 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
44324 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1c1nc(c(o1)-c1ccccc1)-c1ccccc1
44325 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NC1CCCc2ccccc12
44326 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)NNc1ccccc1
44327 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1
44328 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NNc1ccccc1
44329 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12
44330 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NC1CCCc2ccccc12
44331 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)NNc1ccccc1
44332 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cccnc12
44333 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12
44334 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
44335 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2cnccc12
44336 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12
44337 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12
44338 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccc(C)nc12
44339 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1
44340 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2n1
44341 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1
44342 CN[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)Nc1cccc2ncccc12
44343 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)c1nc(c(o1)-c1ccccc1)-c1ccccc1
44344 CN[C@@H](C)C(=O)N[C@H]1CCCCN(Cc2nc(c(o2)-c2ccccc2)-c2ccccc2)C1=O
44345 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)NC1CCCc2ccccc12
44346 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc2ccccc12
44347 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C(=O)Nc1cccc2ccccc12
44348 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)Nc1cccc2ccccc12
44349 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)O)C(=O)Nc1cccc2ccccc12
44350 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NC1CCCc2ccccc12
44351 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC1CCCc2ccccc12
44352 CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
44353 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NNc1ccccc1
44354 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)NNc1ccccc1
44355 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NNc1ccccc1
44356 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)Nc1cccc2ccccc12
44357 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NC1CCCc2ccccc12
44358 CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1
44359 CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
44360 CNC(C)C(=O)NC(C1CCCCC1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1
44361 CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1
44362 CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccn1
44363 CN[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12
44364 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1
44365 CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
44366 CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC1CCCc2ccccc12
44367 CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NC2CCCc3ccccc23)C1=O
44368 CN[C@@H](C)C(=O)N[C@H]1CCCCN(CC(=O)NNc2ccc(Cl)c(Cl)c2)C1=O
44369 CCSc1cc(nc(n1)-c1ccc(Cl)cc1)N1CCCC1
44370 COc1cc(nc(=S)[nH]1)-c1ccccc1
44371 CCSc1nc(cc(=O)[nH]1)-c1ccccc1
44372 CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl
44373 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCC1
44374 CSc1nc(nc(n1)-c1ccc(cc1)[N+]([O-])=O)C(Cl)Cl
44375 CSc1nc(nc(n1)-c1ccccc1OC(C)=O)-c1ccccc1
44376 CSc1nc(nc(n1)-c1ccccc1)-c1ccccc1
44377 CSc1nc(nc(n1)-c1ccccc1)C(C)C
44378 Oc1cc(CC(F)(F)F)c(cc1F)-c1ccc2c(n[nH]c2c1)-c1nc2cc(cnc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
44379 Clc1ccccc1-c1nnc([nH]1)-c1ccccc1
44380 Cn1cccc1-c1cc([nH]n1)C(O)=O
44381 O=C(Cn1c(noc1=O)-c1ccccc1)Nc1ccc(cc1)N1CCCCCC1
44382 Cn1ncc2c1ncn1c(nnc21)-c1ccccc1Cl
44383 COc1ccccc1-c1nnc(NC(C)=O)[nH]1
44384 Nc1[nH]nc(c1Cl)-c1ccc(Br)cc1
44385 Clc1ccc2n(-c3ccccc3)c(=O)[nH]c2c1
44386 COc1cc(CSc2nnc[nH]2)c(OC)cc1CSc1nnc[nH]1
44387 CCCCc1[nH]nc2CC(C)(C)CC(=O)c12
44388 COc1ccc(cc1)-c1nc2SC(CC(=O)n2n1)c1ccco1
44389 COc1ccccc1-c1nnc(SCc2ccccn2)[nH]1
44390 Nc1nc(CSc2nnc([nH]2)-c2ccccc2)nc(Nc2ccccc2)n1
44391 Brc1ccccc1-c1nc2sc(=Cc3ccco3)c(=O)n2n1
44392 Cc1nnc2c3cnn(-c4ccc(C)c(C)c4)c3ncn12
44393 Cn1ncc2c1ncn1nc(CCc3ccccc3)nc21
44394 CCCc1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1
44395 Cc1nc2c3cnn(-c4ccc(C)c(C)c4)c3ncn2n1
44396 Fc1ccc(cc1)C(=O)CSc1nc2ncccc2[nH]1
44397 COc1ccc(OC)c(c1)C(=O)CSc1nc2ncccc2[nH]1
44398 CCOC(=O)C1C(C(C)C)n2c(NC1=O)nc1ccccc21
44399 Brc1ccccc1-c1nnc(SCC(=O)NC(=O)NCc2ccco2)[nH]1
44400 O=C(CSc1nnc([nH]1)-c1ccccc1)NC(=O)NCc1ccco1
44401 CC(=N)C(C#N)C(=O)CSc1nnc([nH]1)-c1ccccc1Br
44402 CN(C)CCNC(=O)Cn1nc(ccc1=O)-c1ccccc1
44403 CCN(CC)S(=O)(=O)c1ccc2n(C)cc(C(=O)N3CCOCC3)c(=O)c2c1
44404 OCc1nnn(c1CO)-c1cccc(c1)C(F)(F)F
44405 CC1(C)Cc2[nH]nc(-c3cccs3)c2C(=O)C1
44406 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1
44407 COc1ccc2-c3n[nH]c(C(O)=O)c3CCc2c1
44408 Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)s1
44409 Fc1ccccc1N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1cccc1
44410 O=C(C1CCN(CC1)S(=O)(=O)N1CCC2(CC1)OCCO2)N1CCN(Cc2ccccc2)CC1
44411 OP(O)(=O)c1ccccc1OCCOCCOc1ccccc1P(O)(O)=O
44412 COc1ccc(cc1)-c1nnc(SCC=C)[nH]1
44413 COC(=O)c1cc(n[nH]1)-c1c[nH]c2ccccc12
44414 Cc1cccc(C)c1OCc1nnc2c3cnn(C)c3ncn12
44415 O=C(Nc1nnc([nH]1)C1CCCCC1)C1CCCCC1
44416 CCc1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
44417 Brc1ccc(cc1)-c1nnc2sc(CNCc3ccc4OCOc4c3)cn12
44418 CCCSc1nnc(NC(C)=O)[nH]1
44419 Cc1ccc2OCc3cnn(CC(=O)N4CCCN(Cc5ccccc5F)C4)c3-c2c1
44420 CCOC(=O)C1CCCN(C1)C(=O)Cn1nc(CC)n2c3ccsc3cc2c1=O
44421 Cn1c(NC(=O)CC(C)(C)C)cc(=O)n(C)c1=O
44422 CC1(C)Cc2n[nH]c(Cc3ccccc3)c2C(=O)C1
44423 OC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1
44424 COc1cc(cc(OC)c1OC)C(=O)Nc1cc(n[nH]1)-c1ccccc1
44425 Cc1cc(C)c2nc(N3CCCN(CC3)C(=O)c3ccco3)c(cc2c1)C#N
44426 COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
44427 Fc1ccc(cc1)-c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
44428 CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)on1
44429 COc1ccc(cc1F)C(=O)CN1CCOCC1
44430 COC(=O)CSc1nc(cc(-c2ccco2)c1C#N)-c1ccccc1
44431 Cl.[H]C12CCN(CC1(OC(C)=O)c1ccc(C)cc1)c1ccccc21 |TLB:23:24:7.6:3.4,THB:8:7:3.4:24.19,12:7:3.4:24.19,20:19:7.6:3.4|
44432 CC(C)C1Cc2c(CO1)c(=S)sc(N)c2C#N
44433 CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1
44434 CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
44435 CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
44436 CCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
44437 CCn1nc(-c2ccccc2)c2nc3ccccc3nc12
44438 Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
44439 O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1
44440 Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C
44441 Cc1nn(c2N=C3C=CC(=CN3C(c12)c1cccnc1)S(=O)(=O)N1CCCCC1)-c1ccccc1 |c:7,9,t:5|
44442 COc1cc(C=c2s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC
44443 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
44444 Cc1ccc(CNC(=O)CN2CCC(CC2)C(N)=O)cc1
44445 O=C(N1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
44446 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1CCOC
44447 Cc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1
44448 Cc1cc2ccccc2n1CCNC(=O)c1ccccc1
44449 CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1cccc(C)c1
44450 Cc1cc(C)n(CNc2nc(cs2)C(F)(F)F)n1
44451 CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
44452 CCN(CCNC(=O)C1CCCN(C1)S(=O)(=O)CC)c1ccccc1
44453 Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2n1C
44454 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccco3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
44455 CCCSC1=N\C(=C/C=C/c2ccco2)C(=O)S1 |t:4|
44456 Cc1c(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
44457 CSc1ccccc1N=Cc1nc(oc1O)-c1ccccc1 |w:8.8|
44458 OC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
44459 CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12 |c:6|
44460 Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12
44461 CCOC(=O)c1cc(OC(=O)c2ccccc2OC)n(n1)-c1ccccc1
44462 CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1
44463 CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Sc1ccccc1 |c:19|
44464 CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
44465 CCCCOP(=O)(OCCCC)C(C#N)C(C)=O
44466 Cc1ccc(Cl)cc1-n1c([CH2-])nc([CH+]c2ccc(cc2)[N+]([O-])=O)c1O |w:13.14,(3.12,-4.47,;4.46,-5.24,;4.46,-6.78,;5.79,-7.55,;7.12,-6.78,;8.46,-7.55,;7.12,-5.24,;5.79,-4.47,;5.79,-2.93,;4.54,-2.03,;3.08,-2.51,;5.02,-.56,;6.56,-.56,;7.47,.68,;6.84,2.09,;7.74,3.33,;7.12,4.74,;5.59,4.9,;4.68,3.66,;5.31,2.25,;4.96,6.31,;5.87,7.55,;3.43,6.47,;7.04,-2.03,;8.5,-2.51,)|
44467 COc1ccc(cc1)N(C(=O)c1ccco1)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
44468 CCN(CC)C(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(Cl)cc1
44469 O=C(NCCc1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
44470 Cc1ccc(cc1)C1=N\C(=C/c2cccs2)C(=O)N1Nc1ccccc1 |t:8|
44471 Cc1ccc(cc1)S(=O)(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCOCC1)\C#N
44472 CCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
44473 COc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccc(C)cc2)c2cccnc2)cc1 |t:7,25|
44474 CC(=O)Nc1ccc(NC2=Nc3ccccc3N3C(c4c(C)nn(c4N=C23)-c2ccccc2)c2ccccc2)cc1 |t:9,27|
44475 CCCCCn1nc(-c2ccccc2)c2nc3ccccc3nc12
44476 CCN(CCO)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3CCCc3c21
44477 CSc1nc(SCCO)c2sc3nc(-c4ccco4)c4COC(C)(C)Cc4c3c2n1
44478 Brc1ccc(cc1)-c1nnc(o1)-c1cccc(Br)c1
44479 CCn1c2ccc(Cl)cc2c2nc3ccccc3nc12
44480 CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
44481 CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)OCC
44482 CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
44483 CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
44484 CCCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
44485 CC1Cc2ccccc2N1Cc1nc2cc(ccc2c(=O)[nH]1)C(F)(F)F
44486 CCc1cccc2c(c[nH]c12)C(=O)CSc1nnc(-c2ccoc2C)n1C
44487 CCOc1ccc(\C=C\C2=Cc3c(C#N)c(NC(=O)CSc4nnc(N)[nH]4)sc3C(C)(C)C2)cc1 |t:9|
44488 COc1cc(C=C2SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc(OC)c1OC |w:5.4|
44489 CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1cccnc1)c(O)c1ccccc21
44490 CCN1C(=O)C(C=NN=Cc2ccccc2)c2ccc(cc12)C1=NNC(=O)CC1 |w:7.7,9.9,t:25|
44491 Cc1ccsc1\C=C\C1=Cc2c(C#N)c(NC(=O)CSc3nnc(N)[nH]3)sc2C(C)(C)C1 |t:9|
44492 COc1ccc(cc1)S(=O)(=O)Nc1cc(Sc2nnc[nH]2)c(O)c2ccccc12
44493 Oc1c(cc(Br)ccc1=O)C(=O)\C=C\c1ccccc1
44494 CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc3OCOc3c2)c1=O
44495 [O-][N+](=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccco1 |c:11|
44496 COc1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)cc(OC)c1OC
44497 CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
44498 CC1=C(C#N)C(=O)NC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)OCC=C |c:1|
44499 Fc1ccc(cc1)N1C(=S)S\C(=C\c2nc3ccccc3[nH]2)C1=O
44500 [O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)Nc2cccc3ccccc23)cc1
44501 COc1ccc(cc1)-n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12
44502 Cc1ccc(C)c(OCc2nnc(N)s2)c1
44503 Cn1c2nc3N(Cc4ccccc4)CCn3c2c(=O)[nH]c1=O
44504 CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\C(=O)NC(=O)C(C#N)=C2C)o1 |c:26|
44505 CCCCN1C(=S)S\C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O
44506 [O-][N+](=O)\C=C\c1cn(Cc2ccccc2)c2ccccc12
44507 Cn1cc(c(n1)C(=O)Nc1ccc2OCCOc2c1)[N+]([O-])=O
44508 COc1cccc(c1)C1(CSc2nnc(o2)-c2cc(OC)c(OC)c(OC)c2)OCCO1
44509 COc1ccc2sc3ccccc3c(=O)c2c1OC
44510 CC(CC(=O)c1ccccc1)N=Nc1nc2ccccc2s1 |w:12.13|
44511 O=C1N(Cc2ccccc2)C(=S)S\C1=C\c1ccco1
44512 [#6]-c1ccc2cc(\[#6]=[#6](\C#N)C#N)c(nc2c1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
44513 COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1
44514 Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1cccs1)C#N
44515 OC(=O)c1ccccc1C(=O)NNc1ccc(F)cc1
44516 Cc1c(NC(=S)NN=Cc2cccc(O)c2)c(=O)n(-c2ccccc2)n1C |w:7.6|
44517 COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc(OC)c1OC
44518 FC(F)(F)c1nnc2c(Sc3ccccn3)nc3ccccc3n12
44519 Cc1ccc(C)c(c1)N(CC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
44520 Cc1ccc2cc(\C=C3/N=C(OC3=O)c3ccccc3)c(nc2c1)N1CCOCC1 |c:9|
44521 c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1
44522 FC(F)(F)c1ccc(Cl)c(Cc2cnc(NC(=O)CSc3nnc(-c4ccncc4)n3CC=C)s2)c1
44523 CCSC1=N\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C(=O)S1 |t:3|
44524 COc1ccc(C=c2sc3nc(c(-c4ccccc4)n3c2=O)-c2ccccc2)cc1OC
44525 Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12|
44526 [O-][N+](=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
44527 COc1ccc2oc(\C=C\N(C)C)c(C(=O)c3ccc(Cl)cc3)c2c1
44528 Cc1cccc2cc(\C=C3/N=C(OC3=O)c3ccccc3)c(nc12)N1CCOCC1 |c:10|
44529 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc2CCCCc12
44530 CCOC(=O)C1=C(N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1)c1ccccc1 |t:5,7|
44531 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
44532 O=C(CCN1C(=S)S\C(=C/C=C/c2ccccc2)C1=O)Nc1nccs1
44533 CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2CN(CCc3ccccc3)CCc12
44534 Brc1ccc(cc1)C(=O)CN1C2=NCCN2c2ccccc12 |t:12|
44535 CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN(C)C)c12
44536 CN(C)CC(O)COc1ccc(cc1)-c1ccc(cc1)C#N
44537 Cc1nc(Nc2ccncc2)c2oc3ccccc3c2n1
44538 NCCCC(=O)N1c2ccccc2Sc2ccccc12
44539 COc1ccc(Nc2nc(N)nc(CN(C)C3CCCCC3)n2)cc1
44540 CNCCCOc1ccc(cc1)C(C)(C)c1ccccc1
44541 CC(C)COc1ccc(Cc2cnc(N)nc2N)cc1
44542 [H]C12CCC([H])(C1)C(C2)C(C)NCc1ccc(cc1)N(C)C |TLB:9:7:6:3.2|
44543 COc1ccc(cc1)C1N=C(N)N=C(N)N1c1ccc(C)cc1 |t:10,13|
44544 COc1ccc(CCNC(C)CCc2ccc(OC)cc2)cc1
44545 CC(C)C\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
44546 CCN(CC)CCN=C1NCCn2c1cc1cc(OC)ccc21 |w:7.6|
44547 COc1cccc(Nc2nc(N)nc(n2)-c2oc3ccccc3c2C)c1
44548 Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12
44549 CC[n+]1c(CC=Nc2ccccc2)oc2ccccc12 |w:6.6|
44550 CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1
44551 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(N)cc1 |w:13.14|
44552 C[n+]1c2SCC(=Nn2c2ccccc12)c1ccc(Cl)cc1 |c:5|
44553 COc1ccc(\C=C\c2cc(o[n+]2C)-c2ccc(C)cc2)cc1
44554 CN(C)c1ccc(\C=C2\C(=O)ON=C2C)cc1 |c:12|
44555 Cc1nn(C)c(C)c1CNC(=O)c1nn2C(CC(Nc2c1Cl)c1ccc(C)cc1)C(F)(F)F
44556 Cc1sc2nc(nc(N3CCN(CC3)S(=O)(=O)c3ccc(F)cc3)c2c1C)C1CC1
44557 COC1(OC)C(O)CCC(N=O)C1N=O
44558 CCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1
44559 CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)s1
44560 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)NCC(C)C)s1
44561 Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4OCCOc4c3)cc12
44562 Cn1c2nc(CN3CCOCC3)n(CCc3ccccc3)c2c(=O)n(C)c1=O
44563 COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1
44564 O=C(COc1ccc2oc3CCCCc3c2c1)Nc1ccccn1
44565 CCOc1ccc2nc(SCC#N)c(cc2c1)C#N
44566 CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nc2nccs2)c1=O
44567 CCCCCCC1CC(CSc2nnc[nH]2)OC1=O
44568 CC(C)OC(=O)CSc1nnc2-c3ccccc3CC(C)(C)n12
44569 COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(Cl)cc3)o2)c1
44570 CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CCOC
44571 COc1ccc(cc1)-c1ocnc1C(=O)Nc1ccccc1N1CCCCC1
44572 O=c1[nH]c(nc2n(Cc3ccccc3)nnc12)C1CCCN(C1)S(=O)(=O)c1ccccc1
44573 CCOc1ccccc1N(C(C(=O)NCCC(C)C)c1ccco1)C(=O)c1snc(C(N)=O)c1N
44574 CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(C)=O
44575 COc1ccc(cc1)-c1nnc(SC(C)C(=O)Nc2cccc(Cl)c2)o1
44576 Clc1ccc(c(Br)c1)S(=O)(=O)N1CCCCC1
44577 CCN(C1CCCCC1)S(=O)(=O)c1cc(C)ccc1OC
44578 CC1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
44579 COC(=O)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
44580 O=C1CCCN2C(C=Cc3ccccc23)=C1C#N |c:7,16|
44581 COc1ccc(CSC2=NCCN2)cc1Cl |t:8|
44582 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(C)c2COC(C)(C)Cc2c1C#N
44583 CSC1=NP(=S)(SC)N2CCCC2=C1C#N |c:13,t:2|
44584 Cc1nc(=O)c(c(C)n1-c1cccc(c1)C(O)=O)-c1ccccc1
44585 C[C@@H](N1C(=O)c2ccccc2C1=O)C(=O)[CH-][N+]#N
44586 CC(C)Oc1ccc(cc1)-c1nn(cc1C=c1sc2ncnn2c1=O)-c1ccccc1
44587 Oc1c(CC(=O)Nc2ccccc2)sc(=O)n1-c1ccccc1
44588 CCOc1ccccc1N1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCC=C
44589 CC(=O)Nc1ccc(cc1)-n1c(C)nc(=O)c(c1C)-c1ccccc1
44590 CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nc2ccc(F)cc2)c1=O
44591 CCOc1ccc(cc1)-c1nc(C#N)c(NCC(C)C)o1
44592 COc1ccccc1C1C(C(=O)c2sc(C)nc2C)C(=O)C(=O)N1CCN1CCOCC1
44593 Fc1ccc(OCc2nc(C#N)c(o2)N2CCC(Cc3ccccc3)CC2)cc1
44594 Brc1ccc(OCc2nc(C#N)c(o2)N2CCCC2)cc1
44595 COC(=O)CC1SC(=O)NC1=O
44596 Brc1ccc(OCc2nc(C#N)c(NCCN3CCOCC3)o2)cc1
44597 N#Cc1nc(COc2ccccc2)oc1N1CCCC1
44598 COc1ccc(cc1)-n1c(O)cc(N2CCC(O)(CC2)c2cccc(c2)C(F)(F)F)c1O
44599 CCC1SC2=NC(C)=C(C(N2C1=O)c1cccs1)C(=O)OC |c:7,t:4|
44600 CCC1SC2=NC(C)=C(C(N2C1=O)c1ccc(cc1)C(=O)OC)C(=O)OCCOC |c:7,t:4|
44601 C[C@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)NC1CCCCC1
44602 COc1ccc(cc1)N1CCN(CC1)c1oc(COc2ccc(Cl)cc2)nc1C#N
44603 COc1ccc(CNc2nc3n(C)c(=O)n(Cc4ccc(Cl)cc4)c(=O)c3n2C)cc1
44604 FC(F)(F)CNC(=O)Nc1nnc(s1)C(F)(F)F
44605 CCOC(=O)c1ccc(cc1)N1C(c2c(C)[nH]nc2C1=O)c1ccc(OC)cc1OC
44606 Nc1nc2NC(CC(c3cccs3)n2n1)c1ccc(Br)cc1
44607 COc1ccc(CNc2nc3n(C)c(=O)n(Cc4ccc(Br)cc4)c(=O)c3n2C)cc1
44608 CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1
44609 COc1ccccc1-c1nc(C#N)c(o1)N1CCc2ccccc2C1
44610 O=c1c2c(nc3[nH]nc(SCC#N)n13)-c1ccccc1CC21CCCC1
44611 CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1
44612 CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C
44613 Cc1nc(=O)c(c(C)n1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
44614 Cc1cccc(NC(=O)Cn2c3sc4COC(C)(C)Cc4c3c(=N)n(Cc3ccco3)c2=O)c1
44615 Cc1nnc2sc(nn12)-c1ccncc1
44616 Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1
44617 COc1ccccc1NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
44618 CN1C(=O)N(C)C(=O)C2(Cc3cc4cc(C)ccc4nc3N3CCCCC23)C1=O
44619 Oc1c2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc34)c2c(O)n1-c1ccc(F)cc1
44620 COc1ncnc2c1oc1nc(CC(C)C)c3CCCCc3c21
44621 Oc1c2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc34)c2c(O)n1-c1ccc(F)cc1
44622 Cc1nc(nc2CC(CC(=O)c12)c1ccco1)N1CCN(Cc2ccccc2)CC1
44623 Cc1ccc(CN2C(=O)NC(=O)C3(Cc4c(nc5ccccn5c4=O)N4CCCCCC34)C2=O)cc1
44624 Fc1cc(Br)ccc1NC(=O)CSc1nnc[nH]1
44625 Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1
44626 Cc1c(OCC(=O)OC(C)(C)C)ccc2c3CCCc3c(=O)oc12
44627 CCN(CC)S(=O)(=O)c1ccc2n(CC)c(SCn3nnc4ccccc4c3=O)nc2c1
44628 CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1
44629 CCOC(=O)c1cnn(c1N)-c1ccccn1
44630 Cc1cc(Br)ccc1NC(=O)CNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
44631 [H]C12CC(C(=O)OCC(=O)Nc3ccc4OC(F)(F)Oc4c3)C([H])(C1)C=C2 |c:28,THB:4:3:24:25.26|
44632 Cc1nnc(NC(=O)c2ccccc2Br)s1
44633 OC(=O)CSC1N(Cc2ccccc2)C(=O)c2ccccc12
44634 Cc1onc(c1C(=O)OCC(=O)Nc1ccc2OCOc2c1)-c1ccccc1Cl
44635 CCOC(=O)\C=C1/SCC(=O)N1CCOc1cccc(Br)c1
44636 Cc1cc(C(=O)COC(=O)c2ccc3OCOc3c2)c(C)n1Cc1cccs1
44637 COc1ccccc1N1CCN(CC1)C(=O)COc1ccc(Cl)cc1
44638 Cc1csc(n1)C(C#N)C(=O)c1cc2ccccc2o1
44639 COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1OCc1c(C)n[o+]n1[O-] |c:13,t:10|
44640 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)s1
44641 CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
44642 CCOC(=O)c1ccc(Oc2nc(NC(C)(C)C)nc(n2)N(C)C)cc1
44643 C1CCC(CC1)c1noc(n1)-c1cc(nc2ccccc12)-c1ccncc1
44644 COC(=O)c1cn(NC(=O)c2cccnc2)c(=O)c2ccccc12
44645 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
44646 CCOC(=O)N1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1cccc(OC)c1
44647 N=c1oc2c3CCCN4CCCc(cc2cc1C(=O)Nc1ccccc1)c34
44648 COC(=O)C(CC(C)C)NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
44649 [H]C12CC([H])(C=C1)C1C2C(=O)N(C(C)C(=O)Nc2nnc(CC)s2)C1=O |c:5,TLB:9:8:2:5.6,THB:24:7:2:5.6|
44650 NC(=O)C1CCN(CC1)C(=O)c1ccc2c3nc4ccccc4n3c(SCC#N)nc2c1
44651 CCCCCn1c(CN2CCCCC2C)nc2n(C)c(=O)n(C)c(=O)c12
44652 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccccc1Cl
44653 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)cc1
44654 COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1
44655 Clc1ccc(OCC(=O)NCc2nnc(SCC(=O)NCc3ccc4OCOc4c3)o2)cc1
44656 NC(=O)C1(CCN(CC1)C(=O)c1cccn2c1nc1ccc(Cl)cc1c2=O)N1CCCCC1
44657 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3OCOc3c2)cc1
44658 COc1ccc(cc1)C1C(CCC(=O)N1c1ccc(OC)cc1)C(=O)Nc1cccc(C)n1
44659 COc1ccc(cc1)C(=O)NCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc12
44660 Cc1cccc(OCc2nc(no2)-c2nonc2N)c1C
44661 CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(F)c1 |c:5,t:8|
44662 Cc1ccc2nc(NC(=O)CCNS(=O)(=O)c3cccs3)sc2c1
44663 CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(OC)cc1
44664 CC(C)OC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1cccc(F)c1 |c:6,t:9|
44665 COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C
44666 COc1cccc(Nc2ncc(C(O)=O)c3ccccc23)c1
44667 Cc1ccc(cc1)-c1cc(nc(NCc2cccnc2)n1)C(F)F
44668 CN(Cc1ccccc1)c1ncnc2n(ncc12)-c1ccccc1
44669 CCCCOc1ccc(cc1)C(=O)Oc1ccc(C)nc1
44670 COc1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)c(OC)c1
44671 COc1ccc(Cl)cc1C(=O)Nc1ccc2OCOc2c1
44672 Oc1cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c(O)n1-c1ccc(F)cc1
44673 CCCCc1ccc(NC(=O)c2c(C)noc2C)cc1
44674 Brc1cc2OCOc2cc1COc1ccc(cc1)-c1nnn[nH]1
44675 COc1ccc(cc1)-n1c(O)cc(N(CC=C)C(=O)Nc2ccc(Cl)cc2)c1O
44676 Cc1ccc(o1)C1N2C(=O)CSC2=NC(C)=C1C(=O)Nc1ccccc1C |c:14,17|
44677 CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1
44678 Cc1cc(no1)C(=O)Nc1nnc(s1)C(F)(F)F
44679 CN(C)C(=O)Oc1ccc(OC(=O)c2ccccc2)cc1
44680 CCC(C)c1ccc(O)c(NC(=O)c2nnc[nH]2)c1
44681 CCNc1oc(nc1C#N)-c1cccc2ccccc12
44682 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc[nH]1
44683 CCOC(=O)c1c(NC(=O)CSc2nnc[nH]2)scc1-c1cccs1
44684 COC(=O)c1ccc(COc2cc(O)c3C(=O)CC(C)(C)Oc3c2)cc1
44685 CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
44686 Cc1c(oc2ccccc12)C(=O)Nc1nnc(s1)C(F)(F)F
44687 Oc1cc(N2CCCN(CC2)c2cc(O)n(c2O)-c2ccc(F)cc2)c(O)n1-c1ccc(F)cc1
44688 CC(C)(C)c1ccc(cc1)-c1nc(no1)-c1ccncc1
44689 Cc1ccc(NC(=O)CCSc2nnnn2-c2ccc3OCOc3c2)cc1C
44690 CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)s1
44691 CCCOc1ccc(CSc2nnc[nH]2)cc1
44692 Cn1nnc(NC(=O)COc2ccc(cc2)C2CCCCC2)n1
44693 COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N
44694 CC(C)(C)c1ccc(cc1)C(=O)CSc1nnc[nH]1
44695 Cc1ccnc(NC(=O)COc2ccc3oc4CCCCc4c3c2)c1
44696 CCC(Oc1ccccc1)C(=O)Nc1nnc(s1)C(F)(F)F
44697 CC(Oc1ccc(Cl)cc1Cl)C(=O)NC1CCSC1=O
44698 Nn1c(SCC(=O)Nc2ccccc2F)nc2ccccc2c1=O
44699 Brc1ccc(OCc2nc(C#N)c(o2)N2CCCCCC2)cc1
44700 COc1ccccc1C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
44701 COc1ccccc1N1CCN(CC1)C(=O)COc1ccc(cc1)S(=O)(=O)NC1CCCCC1
44702 COC(=O)C1C(C)Cc2[nH]c(C(=O)OC3CCCCC3)c(C)c2C1=O
44703 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NC1CCCCC1
44704 CC(=O)N1CCN=C1SCc1ccccc1F |c:6|
44705 Clc1ccc(Cc2nnc(o2)-c2ccccc2Br)cc1
44706 CC1CCC(CC1)OC(=O)c1[nH]c2CCCC(=O)c2c1C |(16.57,-1.54,;15.03,-1.54,;14.26,-.21,;12.72,-.21,;11.95,-1.54,;12.72,-2.87,;14.26,-2.87,;10.41,-1.54,;9.64,-.21,;10.41,1.13,;8.1,-.21,;7.2,-1.45,;5.75,-.98,;4.41,-1.75,;3.08,-.98,;3.08,.56,;4.41,1.33,;4.41,2.87,;5.75,.56,;7.2,1.03,;7.68,2.5,)|
44707 Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc2OCOc2c1
44708 CCc1ccc(NC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCOCC2)cc1
44709 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)N1CCCCC1
44710 Brc1ccc(cc1)-c1cc(no1)C(=O)Nc1nnc(s1)N1CCCCCC1
44711 OC(=O)c1cccc(c1)-n1c(O)c2CC=C(Cl)Cc2c1O |t:15|
44712 CC(=O)N1CCN=C1SCc1ccc(C)cc1 |c:6|
44713 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1
44714 CCc1ccc2NC(=O)N(C(=C)c2c1)c1ccc(C)cc1
44715 COc1ccc(OCc2nc(C#N)c(o2)N2CCN(CC2)c2ccc(OC)cc2)cc1
44716 CC1CCc2nn(CC(=O)N3CCN(CC3)C(=O)c3ccco3)cc2C1
44717 CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc(C)c1C#N
44718 COc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1
44719 CCc1ccc(cc1)C1CC(c2ccccc2C)n2nc(N)nc2N1
44720 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(COc2ccc(Cl)cc2)o1
44721 CCOc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(F)cc1
44722 CCC(=O)N1CCN=C1SCc1ccccc1 |c:7|
44723 Cc1cccc(c1)C1CC(Nc2ncnn12)c1ccccc1
44724 CC1CCCCC1NC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1\C=C\N(C)C
44725 COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1
44726 Cc1ccc(OCc2nc(C#N)c(NCC=C)o2)cc1
44727 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
44728 CN(Cc1ccccc1)c1nnc(NC(=O)c2c(C)onc2-c2ccccc2)s1
44729 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1ccc(F)cc1
44730 CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1
44731 CCOc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(CC)cc1
44732 COc1cccc(c1)C1CC(c2ccc(Cl)cc2Cl)n2nc(N)nc2N1
44733 Clc1ccc(Cc2nnc(o2)C(=O)NC2CCCCCC2)cc1
44734 CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N
44735 Cc1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1
44736 O=C(CSc1nc2ccccc2o1)NCc1ccc2OCOc2c1
44737 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCc1cccs1
44738 O=C(Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1)NCc1ccccn1
44739 CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1
44740 CCOc1ccc(NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1
44741 COc1ccc(Cl)cc1N1C(N2CCCC2C1=O)c1ccc(F)c(F)c1
44742 CC(CCc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1sccc1-n1cccc1
44743 CCOc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc23)cc1
44744 CC(=O)N1CCN=C1SCc1ccc(Br)cc1 |c:6|
44745 Cc1ccc(cc1)-c1nc(no1)C1CCCN(C1)S(=O)(=O)c1ccc(C)cc1
44746 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)NCC1COc2ccccc2O1
44747 CN(C)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CCC#N)CC1
44748 CC(=O)N1CCN=C1SCc1ccc(Cl)cc1 |c:6|
44749 COc1ccc(Cc2nnc(NC(=O)c3c(C)onc3-c3ccccc3)s2)cc1OC
44750 CCOc1ccc(cc1)-c1nc(C#N)c(o1)N1CCCCCC1
44751 COc1ccccc1CNC(=O)Cn1cc2CCCCc2n1
44752 O=C(NCCC1=CCCCC1)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12 |t:5|
44753 COc1ccc(cc1)N1Cc2cccc(C(=O)NC(C)CCc3ccco3)c2C1=O
44754 COc1ccc(cc1OC)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
44755 CCC(=O)N1CCN=C1SCc1ccc(F)cc1 |c:7|
44756 Fc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1 |t:7|
44757 CCC(C)Nc1ncnc2n(Cc3ccc(Cl)cc3)ncc12
44758 CC1CC(C)CN(C1)c1ncnc2n(ncc12)-c1cccc(C)c1
44759 Oc1c(sc2ncnn12)C(N1CCC(Cc2ccccc2)CC1)c1ccco1
44760 Clc1cccc(c1)-n1ccnc1SCC(=O)Nc1ccc2OCCOc2c1
44761 Oc1c(sc2ncnn12)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
44762 Oc1c(sc2ncnn12)C(N1CCN(CC1)c1cccc(Cl)c1)c1cccs1
44763 O=C(CCc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1
44764 FC(F)(F)c1cccc(c1)N1CC(CC1=O)c1nc2ccccc2[nH]1
44765 Cc1nnc(NC(=O)c2ccco2)s1
44766 COc1cc(cc(OC)c1OC)C(N1CCN(CC1)c1ccccc1F)c1sc2ncnn2c1O
44767 CC1CC(C)CN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1
44768 CC1CC(C)CN(C1)C(c1sc2ncnn2c1O)c1ccc(C)cc1
44769 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CC)s1
44770 Oc1c(sc2ncnn12)C(N1CCN(CC1)c1ccccc1)c1cccs1
44771 Clc1ccc(CCNC(=O)c2cnc3SCCn3c2=O)cc1
44772 CC1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
44773 COc1cccc(c1)-c1csc(NC(=O)C2CC2)n1
44774 CC(Sc1nncn1C)C(=O)Nc1nnc(C)s1
44775 COc1ccc(cc1)-n1c(SCC(=O)Nc2ccccc2)nc2CCSc2c1=O
44776 Oc1c(sc2ncnn12)C(N1CCc2ccccc2C1)c1ccccc1
44777 CC1CCN(CC1)C(c1sc2ncnn2c1O)c1ccc(C)cc1
44778 CCOC(=O)c1csc(NC(=O)c2ccccc2)n1
44779 Cn1c2nc(SCC(=O)Nc3ccccc3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
44780 Clc1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
44781 Oc1cc(N2CCN(CC2)c2nc3ccccc3s2)c(O)n1-c1ccc(F)cc1
44782 Cc1nc(=O)c(c(C)n1-c1ccc(cc1)C(O)=O)-c1ccccc1
44783 O=C(C(Sc1nnc[nH]1)c1ccccc1)c1ccccc1
44784 CCOC(=O)c1sc2nc3CCCCCn3c(=O)c2c1C
44785 Cc1cc2nc(oc2cc1C)-c1cccc(NC(=O)c2ccc(Br)o2)c1C
44786 Cc1ccc(o1)C1N2C(=O)CSC2=NC(C)=C1C(=O)Nc1ccccc1 |c:14,17|
44787 Clc1ccc(CSc2nnc[nH]2)cc1
44788 Clc1ccc(CSCC(=O)NCC2CCCO2)cc1
44789 COc1ccc(-c2n[nH]cc2-c2cnn(c2)-c2ccccc2)c(O)c1
44790 Fc1ccc(OCC(=O)Nc2ccc(cc2)-n2cnnn2)cc1
44791 COc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1OC)c1ccccc1
44792 CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1cc(C)on1
44793 Cc1ccc(cc1C)C(=O)CSc1nnc([nH]1)-c1ccco1
44794 COc1cc(cc(OC)c1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccc(C)cc1 |t:16|
44795 CCCCc1ccc(cc1)-c1nc(no1)-c1ccncc1
44796 [#6]-[#8]-[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])oc2ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc12
44797 N#CCn1nnc(n1)-c1ccc2OCOc2c1
44798 Brc1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccc1
44799 O=c1oc(nc2sc3CCCCc3c12)-c1cc2ccccc2o1
44800 O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc[nH]1
44801 CCSC(C)CC1CC(N=O)c2c(CC)noc2C1
44802 CCOC(=O)CSc1nc(N)nc(C)c1Br
44803 Brc1ccc(OCC(=O)N2CCN(CC2)C2CCCC2)cc1
44804 Cc1c(oc2ccc3c(C)cc(=O)oc3c12)C(N=O)c1ccccc1
44805 Brc1ccc(CSc2nnc[nH]2)cc1
44806 Brc1ccc(o1)C(=O)NCC1(CCOCC1)c1ccccc1
44807 CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1
44808 CCc1c(C)sc(NC(=O)c2cccs2)c1C(=O)OC(C)C
44809 CCOC(=O)Cc1csc(NC(=O)c2c(C)onc2-c2ccccc2)n1
44810 Oc1csc(NC(=O)c2ccccc2)n1
44811 C(Nc1ncnc2n(ncc12)-c1ccccc1)c1cccnc1
44812 CCCC(=O)c1ccc(N2CCOCC2)c(F)c1
44813 Clc1ccc(cc1)C1CC(=O)CC(=O)C1
44814 CCC(Sc1nc2ccccc2s1)C(=O)Nc1nnc(C)s1
44815 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4OCOc4c3)cc2)n1
44816 CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nnc[nH]1
44817 CCOC(=O)c1ccc(cc1)N1CN=C2SCC(=O)N2C1 |t:14|
44818 CNC[C@H](O)c1ccc(O)c(O)c1
44819 Clc1ccc(cc1)-c1nnc(SC2CCc3ccccc3NC2=O)s1
44820 COc1ccccc1-c1nnc(SC2CCc3ccccc3NC2=O)s1
44821 Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCc2ccccc12)c1nnnn1C1CCCC1
44822 Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2-c2ccccc2)cc1
44823 COc1ccc(cc1)-n1c(C)nc(=O)c(c1C)-c1ccccc1
44824 CC(C(=O)N1c2ccccc2CCc2ccccc12)n1nnc(n1)-c1ccc(cc1)N(C)C
44825 Clc1ccc(CSCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
44826 Cc1ccc(cc1)C(N1CCN(CC1)c1ncccn1)c1nnnn1CS(=O)(=O)c1ccc(C)cc1
44827 COc1ccc(cc1)-n1ncc2c1ncn(CC(=O)N1C(C)Cc3ccccc13)c2=O
44828 COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
44829 O=C1c2ccccc2-c2nc3ccccc3n12
44830 C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
44831 Clc1ccc(OCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
44832 Cc1nc(=O)c(c(C)n1-c1ccc(O)cc1)-c1ccccc1
44833 Oc1ccc(cc1)C(N(C(=O)Cn1nnc(n1)-c1cccs1)c1ccc2OCCOc2c1)C(=O)NCc1ccccc1
44834 Oc1cccc(c1)C1C(C#N)C(=N)SC(=N)C1C#N
44835 Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1
44836 Cc1ccc(o1)-c1noc(n1)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1
44837 CCOC(=O)C1C(c2cccnc2)n2ncnc2N=C1C |c:20|
44838 COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc23)cc1
44839 O=C1OC(Nc2ccccn2)c2ccccc12
44840 CC(C)CCC1CC(CSC(N)=N)OC1=O
44841 CCOC(=O)C(C1CCCCC1)C(=O)Nc1nc2ccccc2s1
44842 Clc1ccc(CSc2nc3CCCCc3cc2C#N)cc1
44843 O=C1N(Nc2ccccc2)C(=N\C1=C\c1cccs1)c1cccs1 |c:11|
44844 CCCCCOc1ccc(CSc2nnc[nH]2)cc1
44845 OC12C3CCCCC3(N3CCOCC3)[N+]([O-])=C1CCc1nonc21 |c:17|
44846 [H]C12CCC(C)(c3nc(SCc4ccc(Cl)cc4)nnc13)C2(C)C |TLB:7:6:21:3.2,THB:19:20:21:3.2|
44847 FC(F)(F)c1cc(nc2c(cnn12)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)-c1cccs1
44848 Cc1cccc(NC(=O)Cc2sc(=O)n(c2O)-c2ccccc2)c1
44849 CCC(=O)c1ccc(N2CCOCC2)c(F)c1
44850 Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1
44851 Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(C)cc1
44852 CCCCCCCC1CC(CSc2nnc[nH]2)OC1=O
44853 CC(OC(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(=O)NC(C)(C)C
44854 Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(Cc3ccccc3Cl)nnc12
44855 COc1ccc(cc1)N1CCN(CC1)c1nc(Cl)nc(n1)N1CCOCC1
44856 CCOC(=O)c1ccc(NC(=O)C2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)cc1
44857 Cc1cccc(Cc2sc(Nc3ccccn3)nc2O)c1
44858 CC1CC(C)CN(C1)c1cc(C)nc2cc(nn12)-c1cccc(C)c1
44859 Cc1ccccc1NC(=O)Cc1sc(=O)n(c1O)-c1ccccc1
44860 Fc1cccc(c1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
44861 Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1cccc(C)c1C
44862 Clc1ccccc1Cn1nnc2c(nc(nc12)C1CC1)N1CCN(CC1)C(=O)c1ccco1
44863 COc1ccc(cc1)-c1cc2nc(C)cc(N3CC(C)CC(C)C3)n2n1
44864 CCCCN(C(=O)Cc1cccs1)c1nnc(s1)-c1cccnc1
44865 O=C1N(C(=O)c2cccc3cccc1c23)c1ccncc1
44866 Cc1onc(c1C(=O)Nc1sc2CC(CCc2c1C#N)C(C)(C)C)-c1c(F)cccc1Cl |(15.05,2.84,;15.53,1.38,;16.99,.9,;16.99,-.64,;15.53,-1.11,;14.62,.13,;13.08,.13,;12.31,-1.2,;12.31,1.47,;10.77,1.47,;9.87,.23,;8.41,.7,;7.08,-.07,;5.75,.7,;5.75,2.24,;7.08,3.01,;8.41,2.24,;9.87,2.71,;10.35,4.17,;10.83,5.63,;4.41,-.07,;3.08,-.84,;3.64,1.26,;5.18,-1.41,;15.85,-2.62,;17.31,-3.1,;18.46,-2.07,;17.63,-4.6,;16.49,-5.63,;15.02,-5.16,;14.7,-3.65,;13.24,-3.17,)|
44867 Fc1ccccc1NN=C(C#N)C(=N)N1CCCCC1 |w:8.8|
44868 CCCCOC(=O)Nc1ccc(cc1)C(C)C
44869 COc1ccc(cc1OC)-c1c(Cl)nc(N[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1
44870 CC(C)CCOc1ncnc2c3cc4CSC(C)(C)Cc4nc3sc12
44871 Cc1ccsc1CNn1cnnc1SCc1ccc(Cl)cc1
44872 COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Br)cc1
44873 Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccc(F)cc1
44874 FC(F)(F)c1nnc(NC(=O)C2COc3ccccc3O2)s1
44875 O=CC(=NNc1ccccc1)C(=O)c1ccncc1 |w:3.3|
44876 COc1ccccc1NC(=O)CSC(N)=O
44877 Cc1ccc(NN=C(C#N)C(N)=S)c(C)c1 |w:6.5|
44878 FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1cccc(Cl)c1 |t:6|
44879 CC(C)(C)c1ccc(OCC(O)CSc2nnc[nH]2)cc1
44880 CCOc1ccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)cc1
44881 COc1ccc([N-]C(=[NH+]Nc2ccc(cc2)[N+]([O-])=O)P(=O)(N2CCOCC2)N2CCOCC2)cc1 |w:8.8|
44882 CC1CCC(CC1)NC(=O)Cn1c2CCCc2c(cc1=O)-c1ccccc1Cl |(3.08,-7.32,;4.41,-6.55,;4.41,-5.01,;5.75,-4.24,;7.08,-5.01,;7.08,-6.55,;5.75,-7.32,;8.41,-4.24,;8.41,-2.7,;7.08,-1.93,;9.75,-1.93,;9.75,-.39,;11.08,.39,;12.54,-.08,;13.44,1.16,;12.54,2.39,;11.08,1.93,;9.75,2.7,;8.41,1.93,;8.41,.39,;7.08,-.39,;9.75,4.24,;8.41,5.01,;8.41,6.55,;9.75,7.32,;11.08,6.55,;11.08,5.01,;12.42,4.24,)|
44883 CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
44884 Cc1cc(C)c(NC(=O)c2sc3nc4CC(C)(C)CC(=O)c4cc3c2N)c(C)c1
44885 Cc1ccc(CC2S\C(N(C2=O)c2ccccc2)=C(\C#N)C(=O)N2CCOCC2)cc1
44886 Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccc(Cl)c1
44887 COc1cccc(C=Nn2c(O)csc2=S)c1O |w:8.8|
44888 CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1CC
44889 Cn1nc(c2cc(NC(=O)OCc3ccc(cc3)C(C)(C)C)sc12)C(F)(F)F
44890 CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
44891 Nc1ccc(CC2SC(=O)NC2=O)cc1
44892 Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(SCC2CCCO2)c(c1)[N+]([O-])=O
44893 Brc1ccc(cc1)C(=O)CC=NNC(=O)c1ccccc1 |w:11.12|
44894 Cc1cccc(N2CCN(CC2)C(=O)Cc2ccc(Br)cc2)c1C
44895 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc-2c1CCc1ccccc-21
44896 CCc1c(C)sc(NC(=O)c2cc(CC(C)C)on2)c1C#N
44897 CC(C)c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
44898 COc1cccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1
44899 Cn1c(cc2oc3ccccc3c12)C(=O)NCc1ccccc1
44900 CCCNC(=O)c1oc2ccc3OC(C)(C)CC(=O)c3c2c1C
44901 CC(SC1=NCCS1)C(=O)Nc1nnc(s1)-c1ccc(Br)cc1 |t:3|
44902 CCOC(=O)c1c(NC(=O)CSc2nnc[nH]2)scc1-c1ccc(C)o1
44903 Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1
44904 COC(=O)C(C=Nc1ccc(O)cc1)[N+]([O-])=O |w:6.6|
44905 Cc1oc(cc1COc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O
44906 Cc1nnc(NC(=O)COc2ccccc2)s1
44907 CCCCc1cc(=O)oc2cc(OCC(Cl)=C)ccc12
44908 N#Cc1nc(COc2ccccc2)oc1N1CCCCCC1
44909 CN(CC(=O)NCCc1ccc(Cl)cc1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
44910 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
44911 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(=O)N1CCCCC1
44912 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(C)c1ccc2OCCOc2c1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
44913 CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1
44914 Oc1ccc(NC(=O)C2CCCO2)cc1
44915 CCCCNc1oc(nc1S(=O)(=O)c1ccccc1)-c1ccc(OC)cc1
44916 Cn1cc(cc1-c1nnc(COc2ccc(F)cc2)o1)C(=O)c1ccc(Cl)cc1Cl
44917 Clc1cccc(Cl)c1CN1CCSc2sccc2C1=O
44918 COc1ccc(cc1)-n1c(O)cc(N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1O
44919 CCc1nnc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)s1
44920 Oc1cc(N2CCC(CC2)c2nc3ccccc3o2)c(O)n1-c1cc(Cl)cc(Cl)c1
44921 Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccc(Br)cc1)-c1ccccc1Cl
44922 Cc1nnc(NC(=O)c2c(F)cccc2F)s1
44923 CCCC1SC(=NN=Cc2ccc(OC)cc2)N(Cc2ccccc2)C1=O |w:6.6|
44924 CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N
44925 Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1
44926 Cc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1
44927 CCCCC1SC(=NN=Cc2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O |w:7.7|
44928 Cc1nc(OCc2ccccc2)c2sc3nc4CC(C)(C)OCc4cc3c2n1
44929 CCn1c(COc2ccc(C)cc2)nnc1SCc1nc2ccccc2[nH]1
44930 CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2[nH]1
44931 CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(=O)[nH]1
44932 CC(=O)C(C#N)=C1NC(=O)C(Cc2ccc(C)c(C)c2)S1 |w:6.21|
44933 C1CN(CCN1C(c1ccccc1)c1ccccc1)c1nc2ccccc2n2cnnc12
44934 Clc1cccc(c1)N1CCN(Cc2cc(=O)oc3cc4CCCCc4cc23)CC1
44935 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCCCC1
44936 FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1ccc(Cl)cc1 |t:6|
44937 CCc1nnc(NC(=O)C2COc3ccccc3O2)s1
44938 Cc1cc(C)n2nc(nc2n1)C(=O)Nc1nnc(s1)C1CC1
44939 CN1\C(=C/C(=O)c2oc3ccccc3c2N)C(C)(C)c2ccccc12
44940 Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C
44941 Cc1ccc(OCc2nnc([nH]2)-c2ccc(Cl)cc2)cc1
44942 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSc1nnc[nH]1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
44943 O=C1CSC2=NCN(CN12)c1ccccc1 |t:4|
44944 O=C(CSc1nnc[nH]1)NCCC(c1ccccc1)c1ccccc1
44945 O=C(Cn1c(=O)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c2c1=O)N1CCc2ccccc12
44946 NC(Cc1cccs1)=NOC(=O)COc1ccc(Br)cc1 |w:8.9|
44947 [#6]-[#6](=O)-[#7]-c1ccc2nc(-[#6])c(-[#6]\[#6]=[#6](\Cl)Cl)c(-[#8])c2c1
44948 CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)c2c(cc3ccccn23)-c2ccccc2)ccc1C
44949 O=C(CSc1nnc[nH]1)N1N=C2C(CCCC2=Cc2ccco2)C1c1ccco1 |w:17.19,c:11|
44950 Cc1ccc(o1)C(=O)Nc1nnc(C)s1
44951 COc1ccc(NC(=O)COC(=O)c2c3CCCCc3nc3ccccc23)cc1Cl
44952 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)Nc1nnc(CC)s1
44953 COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccnc1OC
44954 COc1ccc(cc1S(=O)(=O)N1CCCc2ccccc12)C(=O)NCc1ccccc1
44955 CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
44956 CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccc(cc1)C(F)(F)F |c:6,t:10|
44957 COc1ccc2cc(ccc2c1)-c1cc(C(O)=O)c2ccccc2n1
44958 Oc1ccccc1C=NNC(=O)CSc1nnc(CNc2ccccc2)n1CC=C |w:8.9|
44959 COc1ccc(NC(=O)C(=O)NN=Cc2cc(C)n(c2C)-c2cccc(Cl)c2Cl)c(OC)c1 |w:12.11,(8.41,-10.06,;7.08,-9.29,;7.08,-7.75,;8.41,-6.98,;8.41,-5.44,;7.08,-4.67,;7.08,-3.13,;8.41,-2.36,;9.75,-3.13,;8.41,-.82,;7.08,-.05,;9.75,-.05,;9.75,1.49,;11.08,2.26,;11.08,3.8,;9.84,4.7,;10.31,6.17,;9.41,7.41,;11.85,6.17,;12.33,4.7,;13.79,4.23,;12.76,7.41,;12.13,8.82,;13.04,10.06,;14.57,9.9,;15.19,8.5,;16.73,8.34,;14.29,7.25,;14.92,5.84,;5.75,-5.44,;4.41,-4.67,;3.08,-5.44,;5.75,-6.98,)|
44960 CN(C)C(=O)c1sc(NC(=S)NC(=O)c2ccccc2)nc1C
44961 Fc1cc(F)c(F)c(Cn2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)n2)c1F
44962 COc1cccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1OC |c:17,20|
44963 Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1
44964 CCOc1ccccc1NC(=O)c1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1
44965 CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12
44966 COc1ccc(\C=C\C(=O)NCc2cnn(C)c2C)cc1COc1ccc(Br)cc1
44967 Cc1cccc(Cc2cnc(NC(=O)CN3C(=S)S\C(=C/c4ccccc4)C3=O)s2)c1
44968 O=C(CN1C(=S)S\C(=C/c2ccccc2)C1=O)Nc1ncc(Cc2ccccc2)s1
44969 COc1ccc(cc1OC)C1C(CCC(=O)N1c1ccc(C)cc1)C(=O)OCC(=O)NC(C)(C)C
44970 Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c(C)o1
44971 CN(C)C(=O)c1sc(NC(=S)NC(=O)c2cccs2)nc1C
44972 CCn1c(CNC(=O)COc2ccc(cc2)C(C)C)nnc1SCC(=O)Nc1ccccc1C(C)C
44973 CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c21
44974 CCc1noc(C)c1C(=O)Nc1nc(c(C)s1)-c1cc(C)ccc1C
44975 CCC1(C)Cc2c(CO1)sc1nnn(CC(=O)Nc3ccc(C)cc3)c(=O)c21
44976 Cc1cc(C)c(c(Sc2ccc(Cl)cc2)n1)S(C)(=O)=O
44977 Clc1ccc(CSc2nnc(o2)-c2cccn(Cc3ccccc3)c2=O)cc1
44978 O=C(NNC(=O)c1cccnc1)Nc1cccc2ccccc12
44979 COC(=O)c1cnn(c1N)-c1cc(Oc2ccccc2)ncn1
44980 CCn1c(C)c(C)c2cc(ccc12)C(=O)Nc1cccc(Cl)c1
44981 Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)n1
44982 Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1
44983 CCCCCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1cccnc1 |w:18.18|
44984 CNc1oc(nc1P(=O)(c1ccccc1)c1ccccc1)-c1ccc(C)cc1
44985 C\N=C1\S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(3.84,6.9,;3.84,5.36,;5.17,4.59,;5.33,3.06,;6.84,2.74,;7.47,1.33,;6.56,.09,;5.02,.09,;4.54,-1.38,;3.08,-1.85,;5.79,-2.28,;7.04,-1.38,;8.5,-1.85,;5.79,-3.82,;7.12,-4.59,;7.12,-6.13,;5.79,-6.9,;4.46,-6.13,;4.46,-4.59,;3.12,-3.82,;7.61,4.07,;9.14,4.24,;6.58,5.22,;6.9,6.73,)|
44986 Brc1cncc(c1)C(=O)NC(=S)Nc1nc(cs1)-c1ccccc1
44987 Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)n1
44988 Clc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NC2CCCC2)c2c[nH]c3ccccc23)c2ccccc2)n1
44989 OCCN=C1CCCc2c1[nH]c1ccc(Br)cc21 |w:3.2|
44990 Cc1ccc(C=NNC(=O)CSCc2ccc(Cl)cc2)cc1 |w:6.6|
44991 COc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)o2)cc1
44992 COc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccccc1)C(=O)Cn1cnc2ccccc12
44993 CC(C)Oc1ccc(CSC(N)=N)cc1
44994 Cc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2ccccc2F)n1
44995 Cc1c(N2C(=S)S\C(=C/c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C
44996 O=C(CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1)c1cccs1
44997 Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|
44998 Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1C
44999 CC(O)(CS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(cc1)C(F)(F)F
45000 CCOC(=O)c1nnc(nc1Oc1ccccc1Cl)-c1ccccc1
45001 O=C(Nc1nc(=O)n(s1)C(=O)C1CC1)c1ccccc1
45002 Cc1cc([nH]n1)C(=O)NN=Cc1cc(Br)ccc1OC(=O)c1ccccc1 |w:9.9|
45003 FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1
45004 CC(C)CC(=O)n1sc(NC(=O)c2ccccc2)nc1=O
45005 Fc1ccccc1NN=C(C#N)C(=N)N1CCOCC1 |w:8.8|
45006 COc1cccc(C=NNC(=O)C(=O)N2CCCC2)c1O |w:8.8|
45007 COc1cccc(C=NNC(=O)C(=O)NCc2ccco2)c1O |w:8.8|
45008 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
45009 COc1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1
45010 Cc1ccc(cc1)S(=O)(=O)NN=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:11.11|
45011 [O-][N+](=O)c1cccc(c1)-c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1
45012 Cc1cc(C)nc(NN2C(=S)SC(=Cc3ccccc3)C2=O)n1 |w:13.13|
45013 COc1cccc(c1)-c1csc(NC(=O)Oc2ccccc2)n1
45014 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)C(=O)c2ccccc2[N+]([O-])=O)cc1
45015 Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1
45016 NC(=N)SCc1cccc2ccccc12
45017 CC(C)(C)NC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl
45018 CC(=O)NN1C(=S)S\C(=C\c2ccc(C)cc2)C1=O
45019 Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCCCC4)c(c3)[N+]([O-])=O)nc12
45020 CCc1ccc(cc1)C(C)N=Nc1cc(Cl)nc(C)n1 |w:10.10|
45021 CCOC(=O)c1c(NC(=O)C2CCCCC2)scc1-c1cccc(c1)[N+]([O-])=O
45022 Brc1ccc(OCC(=O)c2ccc3CCCCc3c2)cc1
45023 CCn1c(C)cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C
45024 Cc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1c(C)cccc1C |(3.08,-3.27,;4.54,-2.79,;5.02,-1.33,;6.56,-1.33,;7.47,-.08,;6.84,1.32,;5.33,1.64,;4.19,.61,;5.17,3.17,;6.58,3.8,;7.61,2.66,;9.14,2.82,;6.9,5.31,;8.36,5.78,;8.68,7.29,;7.54,8.32,;6.07,7.84,;5.75,6.34,;7.04,-2.79,;8.5,-3.27,;5.79,-3.7,;5.79,-5.24,;4.46,-6.01,;3.12,-5.24,;4.46,-7.55,;5.79,-8.32,;7.12,-7.55,;7.12,-6.01,;8.46,-5.24,)|
45025 Cc1ccc(cc1)N1C(=O)C2C(C1=O)(c1ccccc1)C2(c1ccccc1)c1ccccc1
45026 CCCOC(=S)NC(=O)c1sc2ccccc2c1Cl
45027 CCOC(=S)NC(=O)c1sc2ccccc2c1Cl
45028 CCC(Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1nnc(C)s1
45029 CC(C)c1ccc(CNc2cc(ccc2[N+]([O-])=O)N2CCCC2)cc1
45030 Cc1cc(C=C2SC(S)=NC2=O)c(C)n1C |w:4.3,c:8|
45031 CCOc1ccc(OCC)c(c1)-c1[n+]([O-])c2ccccc2n(OCc2ccc(cc2)C(C)(C)C)c1=O |(3.08,3.47,;4.41,4.24,;5.75,3.47,;7.08,4.24,;7.08,5.78,;8.41,6.55,;9.75,5.78,;11.08,6.55,;11.08,8.09,;12.42,8.86,;9.75,4.24,;8.41,3.47,;11.08,3.47,;12.42,4.24,;12.42,5.78,;13.75,3.47,;15.13,4.29,;16.52,3.5,;16.52,1.89,;15.13,1.1,;13.75,1.93,;12.42,1.16,;12.42,-.39,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;13.75,-7.32,;13.75,-8.86,;15.29,-7.32,;12.21,-7.32,;11.08,1.93,;9.75,1.16,)|
45032 CCC1(C)Cc2c(CO1)sc1nnn(Cc3ccccc3Cl)c(=O)c21
45033 CCOc1cccc(CNc2ccc(cc2)C(O)=O)c1OCC=C
45034 CCOc1ccc(OCC)c(c1)-c1[n+]([O-])c2ccccc2n(OCc2ccc(Cl)cc2)c1=O |(3.08,2.7,;4.41,3.47,;5.75,2.7,;7.08,3.47,;7.08,5.01,;8.41,5.78,;9.75,5.01,;11.08,5.78,;11.08,7.32,;12.42,8.09,;9.75,3.47,;8.41,2.7,;11.08,2.7,;12.42,3.47,;12.42,5.01,;13.75,2.7,;15.13,3.52,;16.52,2.73,;16.52,1.12,;15.13,.33,;13.75,1.16,;12.42,.39,;12.42,-1.16,;13.75,-1.93,;13.75,-3.47,;12.42,-4.24,;12.42,-5.78,;13.75,-6.55,;13.75,-8.09,;15.08,-5.78,;15.08,-4.24,;11.08,1.16,;9.75,.39,)|
45035 COc1ccc(cc1)-c1cc(C(=O)Nc2sc3CCCCc3c2C#N)c2ccccc2n1
45036 COc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1
45037 Oc1ccc(cc1\[NH+]=C\[c-]1sc2ccccc2c1=O)[N+]([O-])=O
45038 COc1ccc(CN=Nc2cc(OC)ncn2)cc1 |w:8.8|
45039 Cc1cccc(NC(=O)C(\NC(=O)c2ccc(Cl)cc2)=C/c2ccc(o2)[N+]([O-])=O)c1
45040 C\C(\C=C1/SC(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O)=C/c1ccccc1
45041 O=C(NN=Cc1ccccn1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2|
45042 Cc1ccc2nc(Nc3nc(CSc4nc5ccccc5s4)cc(=O)[nH]3)nc(C)c2c1
45043 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1
45044 Cc1cc(NC(=O)CN2C(=O)S\C(=C/c3ccccc3)C2=O)no1
45045 CCCCn1nnc(NC(=S)NC(=O)c2cccs2)n1
45046 CC(NC(=O)c1ccc(Br)cc1)c1ccc2CCCCc2c1
45047 OC(COc1ccccc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
45048 CC(=C)C(=O)Nc1cc(=O)n([nH]1)-c1ccccc1
45049 NS(=O)(=O)c1ccc(cc1)N=Nc1c([nH]n(-c2nc(cs2)-c2ccccc2)c1=O)-c1ccccc1 |w:11.12|
45050 COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccccc2C)cc1 |t:8|
45051 CC1CCC\C(C1)=C(/C#N)c1nc(cs1)-c1cc2ccccc2oc1=O
45052 CCOC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2)scc1-c1ccc(F)cc1
45053 CCSc1nnc(-c2ccc(C)cc2)c2ccccc12
45054 CCc1ccc(cc1)-c1csc(NC(=O)Oc2ccccc2)n1
45055 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1
45056 CCc1nccn1C(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
45057 COc1ccc(CNC2=NC(=O)CC(S2)C(=O)Nc2ccc(F)cc2)cc1 |t:8|
45058 Cc1ccc(cc1C)N1C(=O)NC(=O)C(=Cc2ccsc2)C1=O |w:15.16|
45059 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ncc(Cc2ccc(cc2)C(F)(F)F)s1
45060 C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1
45061 O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N(c1ccccc1)c1ccccc1
45062 Cc1ccc(-c2cc(no2)-c2ccccc2)c(O)c1
45063 CCCCOc1ccc(\C=C\C(=O)Nc2ccc(cc2C)[N+]([O-])=O)cc1
45064 Cc1ccc(CC2S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)cc1
45065 CC(C)(CNC(=O)\C=C\c1ccc(F)cc1)CNC(=O)\C=C\c1ccc(F)cc1
45066 Clc1cccc(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
45067 Cc1ccc(cc1C)C(=O)COc1ccccc1-c1ccccc1
45068 Clc1ccc(OCc2nnc(NC(=O)CSc3ccccc3)s2)cc1
45069 NNC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc(Cl)c1
45070 COc1cccc(C=NNC(=O)c2[nH][nH]c(=O)c2C)c1O |w:8.8|
45071 NC1=NC(=O)C(S1)=Cc1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1 |w:7.8,t:1|
45072 N=C(N1CCOCC1)C(=NNc1ccccc1)C#N |w:9.10|
45073 Cc1ccc2c(C)nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc2c1 |w:9.8|
45074 O=C(CCN1C(=S)S\C(=C/c2ccccc2)C1=O)NNC(=O)c1cccnc1
45075 [O-][N+](=O)c1ccccc1-c1ccc(\C=C2/Sc3[n-]c(=O)c(n[n+]3C2=O)-c2ccccc2)o1
45076 Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1ccccc1O
45077 Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O
45078 COc1cccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)c1O |w:8.8|
45079 CC1(C)Cc2c(CO1)sc1nnn(Cc3ccc(Cl)cc3)c(=O)c21
45080 [O-][N+](=O)c1cccc(CC2S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)c1
45081 Fc1ccc(cc1)N1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
45082 Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(cc(C)c1=O)[N+]([O-])=O |w:9.9|
45083 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1
45084 Fc1ccccc1C(=O)NC(=S)NC(=O)c1ccccc1F
45085 Clc1ccc(Cl)c(c1)-c1ccc(o1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
45086 Cc1ccc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc(C)c2c1 |w:7.6|
45087 Cc1cccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)NCC=C)c1C
45088 ClC1(Cl)CC1c1ccc(NC(=O)c2ccccc2Br)cc1
45089 Clc1ccccc1NC(=S)NCc1ccccn1
45090 CCN(CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCc1ccco1
45091 CCCCCCCOc1ccc(cc1)-c1ccc(cn1)C#N
45092 Oc1nc(Nc2ccccc2)sc1Cc1cccc(Cl)c1Cl
45093 CCn1c(COc2ccc(Cl)cc2)nnc1SC1CCc2ccccc2C1=O
45094 null
45095 Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCc3ccco3)c(=O)[nH]c12
45096 Oc1ccccc1C=NNC(=O)CC(=O)NCc1cccnc1 |w:8.9|
45097 CC(N=Nc1nc(nc(C)c1CC=C)-c1ccccc1)c1ccccc1 |w:3.3|
45098 COc1cc(ccc1NC(=O)c1ccncc1)S(=O)(=O)Nc1cccc(C)c1
45099 Cc1cccc2cc(CN(Cc3cccs3)S(=O)(=O)c3ccc4OCCOc4c3)c(=O)[nH]c12
45100 ClCCCC(=O)Nc1cc(=O)n([nH]1)-c1ccccc1
45101 Cn1cc(Br)c(n1)C(=O)NNC(=O)c1ccc(Br)cc1
45102 Brc1ccc(OCC(=O)NNC(=S)NCC=C)cc1
45103 Clc1ccc(OCc2nnnn2-c2ccccc2)cc1
45104 CC(N=Nc1nc(nc(C)c1CC=C)-c1ccccc1)c1ccc(N)cc1 |w:3.3|
45105 Cc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc34)o2)cc1
45106 Cn1cc(Br)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1
45107 Cc1ccc(OCc2nnc(SC3CCc4ccccc4C3=O)n2C)cc1
45108 COC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC2)C(=S)Nc2cccc(OC)c2)cc1
45109 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC(C)=O)cc3)c(=O)n2C1\C=C\c1ccccc1 |c:5,t:8|
45110 Cc1cc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C
45111 CC(=NNC(=S)Nc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
45112 COc1ccc(cc1)-n1c(O)c(CC(=O)Nc2ccc(F)cc2)n(CCc2cccs2)c1=O
45113 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccsc2c1=O
45114 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccsc2c1=O
45115 Cc1cc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:4|
45116 Clc1ccccc1CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O
45117 CCOc1ccc2N(C)C(=O)C(N=O)c2c1
45118 COC(=O)NN=Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 |w:5.4|
45119 NC(=N)SCc1nc2ccccn2c1Br
45120 [#8]-c1csc(=S)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
45121 Cc1nc(N=C(N)NC(=O)N2c3ccccc3Sc3ccccc23)nc2ccccc12 |w:4.3|
45122 Cc1ccc(NN=C(C#N)C(=N)N2CCOCC2)cc1 |w:6.5|
45123 Cc1ccc(cc1C)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1
45124 Cc1cc(C)n(CCC(=O)NN=Cc2ccccc2O)n1 |w:11.10|
45125 COC(=O)NN=Cc1ccc(o1)-c1ccc(C)c(Cl)c1 |w:5.4|
45126 CCOP(=O)(OCC)C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N(CC)CC
45127 COc1cccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c1O |w:8.8|
45128 Cc1cc(C)nc(N=NCc2cccc3ccccc23)n1 |w:7.6|
45129 COC(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1 |w:5.4|
45130 Cc1nc(nc(N=NCc2ccccc2)c1CC=C)-c1ccccc1 |w:6.5|
45131 C[C+]([N-]NC(=O)CSc1ccccn1)c1ccc(cc1)[N+]([O-])=O
45132 Cc1cc2nc(N=C(N)NC(=O)N3c4ccccc4Sc4ccccc34)nc(C)c2cc1C |w:6.5|
45133 Clc1ccc(cc1)-n1c(SCC(=O)NN=Cc2ccco2)nnc1-c1ccccc1 |w:14.14|
45134 COc1ccc(CN=Nc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1OC |w:8.8|
45135 COc1ccc(Cc2nnc(N=NCc3ccc(O)cc3O)[nH]c2=O)cc1OC |w:11.10|
45136 COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
45137 [O-][N+](=O)c1ccc(N=NCc2ccccc2)c(F)c1 |w:7.6|
45138 Cc1cc(N=NCc2ccccc2Cl)nc(NCc2ccccc2)n1 |w:4.3|
45139 C\C(C=NNC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)=C/c1ccccc1 |w:3.3|
45140 COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1 |w:8.8|
45141 CCCCCCN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:11.11|
45142 CCCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)nn1
45143 CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(C)cc1)c1ccc(cc1)C(=O)OC |c:14|
45144 CCOC(=O)C1C(c2c(N)c(sc2N=C1C)C(=O)c1ccc(OC)cc1)c1ccc(cc1)C(=O)OC |c:14|
45145 COc1cccc(\C=[NH+]\NC(=O)C(C)n2nc(C)c(c2C)[N+]([O-])=O)c1[O-]
45146 Cc1cccc2c3nc4ccccc4nc3n(CCCN3C(=O)c4ccccc4C3=O)c12
45147 Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl
45148 COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(F)cc3)c(=S)n2NC(=O)c2ccccc2)cc1
45149 Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl
45150 Clc1ccccc1-c1ccc(o1)C(=S)N1CCCCC1
45151 Cc1ccc(Nc2nnc(-c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3ccccc23)cc1
45152 C\C(\C=C1/SC(=S)N(NC(=O)c2ccc(O)cc2)C1=O)=C/c1ccccc1
45153 OC(=O)\C=C/C(=O)NC1CCCCC1
45154 COc1ccc(NC(=O)Cc2c(O)n(-c3ccc(Cl)cc3)c(=S)n2NC(=O)c2cccc(F)c2)cc1
45155 Cc1nc2c(ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc23)s1
45156 Oc1ccc(Br)cc1C=NNC(=O)CCc1ccccc1 |w:9.10|
45157 CC(=O)c1ccc(NC(=O)CN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:16.16,19.19|
45158 O=C(Nc1nc(cs1)-c1ccc(Oc2ccccc2)cc1)C1=COCCO1 |t:24|
45159 O=C(NCCc1ccccc1)C(=O)c1c(cc2ccccn12)-c1ccccc1
45160 CC(=O)c1ccc(NC(=O)CCCN2C(=S)SC(=CC(C)=Cc3ccccc3)C2=O)cc1 |w:18.18,21.21|
45161 CCn1c(SCc2ccc(Cl)cc2)nc2nc3CCCCc3cc2c1=O
45162 Fc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1
45163 Clc1ccc(CNC(=O)C(=O)NCC2OCCN2C(=O)c2cccs2)cc1
45164 Clc1ccc(CNC(=O)C(=O)NCC(N2CCOCC2)c2ccco2)cc1
45165 Cc1ccccc1NC(=O)CSC1=NCCN1 |t:13|
45166 COc1ccc(cc1)C1CC(=NN1C(=O)c1cccs1)c1ccc(OC)cc1 |c:11|
45167 CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1)-c1ccccc1
45168 CCOc1ccc(NC(=O)Nc2cc(sc2C(=O)OC)-c2ccccc2)cc1
45169 Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC1=CCCCC1 |t:19|
45170 Fc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1
45171 Cc1ccc(COc2cccc3C(=O)N(Cc4ccc(F)cc4)CCc23)cc1
45172 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CON=C1C(=O)N(CCC)c2ccccc12 |w:18.20,TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
45173 COc1ccc(cc1NC(=O)COC(=O)\C=C\c1ccco1)[N+]([O-])=O
45174 CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(N)s1)-c1ccccc1
45175 CCCN1C(=O)C(=NOCC(=O)Nc2ccc(cc2)C(C)C)c2ccccc12 |w:7.7|
45176 Clc1ccc(OCc2nc3ccccc3n2CC(=O)NCCC#N)cc1
45177 COc1ccc(CCNC(=O)CSCc2ccc(Cl)cc2)cc1OC
45178 COc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1
45179 CCOC(=O)C(=NNc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 |w:6.6|
45180 COc1ccc(cc1S(=O)(=O)N(C)Cc1ccccc1)C(=O)NCc1ccc2OCOc2c1
45181 CCCn1c(C)cc(\C=C(/C#N)C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)c1C
45182 Cc1ccc(NC(=O)Cc2csc(n2)-c2ccccc2)cc1F
45183 COc1cc(\C=C(/C#N)c2ccccn2)ccc1OCc1ccccc1Cl
45184 FC(F)(F)C(=O)NC(CC(=O)Nc1nnc(CCc2ccccc2)s1)c1ccccc1
45185 COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1CN1CCN(CC1)c1ccc(F)cc1 |w:7.7|
45186 OC(C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
45187 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)cc1
45188 CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1OCC(O)=O
45189 Cc1ccc(NC(=O)CCC(=O)NN=Cc2cccs2)cc1C |w:13.12|
45190 COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1
45191 Cc1cc(C)n(CCc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1
45192 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\n2cnc3ccccc23)c1
45193 COc1cccc(\C=[NH+]\NC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)c1[O-]
45194 O=C(CC1SC(=O)N(Cc2ccccc2)C1=O)Nc1nccs1
45195 Oc1n(-c2ccc(cc2)C#N)c(=O)c2c([nH][nH]c12)C(=O)c1ccc2ccccc2n1
45196 Cc1c(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)c(=O)n(-c2ccccc2)n1C |c:8,16|
45197 CC(=NNC(=O)CCc1c[nH]c2ccccc12)c1cccc(c1)[N+]([O-])=O |w:2.2|
45198 O=C(CCN1C(=S)S\C(=C\c2ccccc2)C1=O)NNC(=O)c1cccnc1
45199 Oc1ccc(cc1)N1C(=S)S\C(=C\c2ccco2)C1=O
45200 OC(=O)CCN1C(=O)CC(N2C(=S)S\C(=C/c3ccc(Cl)cc3)C2=O)C1=O
45201 COc1cccc(C=NNC(=O)CNC(=O)c2ccc3OCCOc3c2)c1O |w:8.8|
45202 Clc1ccc(CN2C(=O)SC(CC(=O)Nc3nccs3)C2=O)cc1
45203 CCC(=NNC(=O)C(N)=O)c1ccccc1O |w:3.3|
45204 Brc1ccc(NCc2cc(=O)n3ccsc3n2)cc1
45205 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(NC(=S)NC)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
45206 Brc1ccc(OCc2nnc3CCCn23)cc1
45207 NC(=NN=Cc1ccc2OCOc2c1)c1nonc1N |w:3.2,1.0|
45208 CCC(Sc1nc2ccccc2o1)C(=O)Nc1nnc(C)s1
45209 O=C(Cc1ccccc1)Nc1ccccc1Oc1ccccc1
45210 CCc1nn2c(N)c(\C=C3/C=Nc4ccccc34)c(=O)nc2s1 |c:10|
45211 CCCC(=O)NC(=S)Nc1ccc(cc1)C(C)=O
45212 COc1ccc(CN2C(=O)C(=CNc3ccc(OC)cc3)c3ccccc3C2=O)cc1 |w:11.11|
45213 COc1ccc(cc1)N1C(NC(=O)C(C#N)C1=S)c1ccco1
45214 Cc1cccc(c1)-n1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc12
45215 [O-][N+](=O)c1ccc(\C=C\C(=O)N2CCN(CC2)c2ccccc2F)cc1
45216 COc1cc(CNc2ccc(NC(=O)CC(C)C)cc2)ccc1OCC=C
45217 [O-][N+](=O)c1cccc(NC(=O)c2[nH]ncc2Cl)c1
45218 Nc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)N1c2ccccc2Sc2ccccc12
45219 CC(=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(Cl)c1)c1cccs1 |w:2.2|
45220 Cc1ccc(cc1)C1=CC(C)(Nc2nc(nn12)C(F)(F)F)c1ccc(C)cc1 |t:8|
45221 O=C(NCCN1C(=O)S\C(=C\c2ccccc2)C1=O)C1CCCN1C(=O)c1cccs1
45222 COc1ccc(\C=C2\N=C(SC3CCOC3=O)N(C2=O)c2cccc(OC)c2)cc1 |t:8|
45223 CC1CCc2c(C1)sc1nc(CSc3nnc[nH]3)[nH]c(=O)c21
45224 OC(=O)c1ccc(cc1)N=NCc1ccc(F)c(F)c1 |w:9.9|
45225 CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(cc2)-n2nc(C)cc2C)c1
45226 O=C(NN1C(=S)S\C(=C\c2cccnc2)C1=O)C(c1ccccc1)c1ccccc1
45227 O=C(NCc1ccccn1)c1cc(nc2ccccc12)-c1ccc(cc1)-c1ccccc1
45228 COc1cc(C)ccc1N(CCCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)c1cccs1
45229 CCOC(=O)c1sc(cc1NC(=O)Nc1ccccc1OC)-c1ccc(F)cc1
45230 Cc1cccc(C)c1N=Cc1c(O)n(-c2nccs2)c(=O)c2ccccc12 |w:8.8|
45231 CC(NC(=O)c1ccc(C)cc1)c1ccc(F)cc1
45232 Cc1cc(C)c(N=Cc2c(O)n(-c3nccs3)c(=O)c3ccccc23)c(C)c1 |w:6.5|
45233 COc1ccc(cc1)C1CC(=NN1C(=O)COC(=O)c1cccnc1Cl)c1ccccc1 |c:11|
45234 FC(F)(F)CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc12
45235 COc1ccc(cc1CSc1nnc(Nc2ccccc2C)s1)C(C)=O
45236 Cc1cc(C)cc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1
45237 [O-][N+](=O)c1ccccc1\C=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1
45238 Cc1cccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)c1
45239 COc1ccc(OC)c(c1)-c1csc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
45240 CCN(CC(=O)NC(C)C)C(=O)c1ccc(Cl)cc1
45241 O=C(Nc1nc(-c2cccs2)c(s1)-c1cccs1)C1(CC1)c1ccccc1
45242 CCNc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)c1cc(C)n(Cc2ccc3OCOc3c2)c1C
45243 O=[#6]1-[#6]-[#6]-[#6]-[#6](=O)\[#6]-1=[#7]/[#7]-c1ccc2-[#8]-[#6]-[#8]-c2c1
45244 C1CN(CCN1c1ccccc1)c1nc(nc2ccccc12)-c1cccs1
45245 CC1CCc2c(C1)scc2C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
45246 CCOC(=O)c1cc(sc1NC(=O)C(C)Sc1nnc(C)s1)-c1ccccc1
45247 [O-][N+](=O)c1ncccc1OCC(=O)Nc1ccc2OC(F)(F)Oc2c1
45248 Cc1nc(C)c(s1)C(=O)NNS(=O)(=O)c1ccccc1
45249 CCc1cccc(CC)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
45250 Clc1ccc(cc1)C(=O)NNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
45251 COc1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1OC
45252 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)\C=C\c2cccs2)ccc1N1CCOCC1
45253 COc1ccc(NS(=O)(=O)c2cc(NC(=O)CNC(=O)c3ccc(C)s3)ccc2Cl)cc1
45254 CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
45255 COc1ccc(OCc2nc3ccc(cc3[nH]2)S(=O)(=O)Nc2ccccc2Cl)cc1
45256 Cc1ccc(cc1)C(=O)CCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(Cl)c1
45257 COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1
45258 Clc1ccc(Oc2ccccc2)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1
45259 Cc1ccc(NC(=O)CNC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccc(Cl)cc1
45260 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NN=Cc1cc(Br)c(O)c(OC)c1 |w:16.18,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
45261 Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1F
45262 Clc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
45263 CC(NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccc(Cl)cc1)c1ccc2OCCOc2c1
45264 Cn1nccc1CNC(=O)c1ccnn1C
45265 CC1=NN(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)cc2)C(O)(C1)C(F)(F)F |t:1|
45266 Fc1ccccc1C(=O)Nc1nc(COc2ccccc2)cs1
45267 Fc1ccccc1CC(=O)Nc1cccc2cccnc12
45268 OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Br)cc2)o1)C(F)F)C(F)F |c:3|
45269 OC1(CC(=NN1C(=O)c1ccc(COc2ccc(Cl)cc2)o1)C(F)F)C(F)F |c:3|
45270 CC(=NNC(=O)c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)c1cccc(NC(=O)c2cccnc2)c1 |w:2.2|
45271 CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1
45272 CC(C)OC(=O)c1sc(N)c(C(=O)OC(C)C)c1C
45273 Fc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
45274 CC(C)CNC(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1
45275 COc1ccccc1NC(=O)CSC1=NCCN1 |t:14|
45276 C\C(C=NNC(=O)c1nn(C)c(C)c1Br)=C/c1ccccc1 |w:3.3|
45277 NC(=N)SCc1ccccn1
45278 O=C(NC(=S)Nc1ccccn1)c1cc(nc2ccccc12)-c1ccccc1
45279 Oc1ccccc1C=NNC(=O)COc1nsnc1N1CCOCC1 |w:8.9|
45280 CNC(=S)Nc1ccc(C)cc1
45281 O=S(=O)(N1CCCC1)c1ccc(cc1)N=NC(C#N)C#N |w:14.15|
45282 CCN(CC)S(=O)(=O)c1ccc(cc1)N=NC(C#N)C#N |w:14.14|
45283 N1c2ccccc2Sc2nccnc12
45284 C=CCSC1=NC(=O)\C(S1)=C\c1cccs1 |t:4|
45285 CCOC(=O)Cc1csc(NC(=S)NC(=O)C(C)(C)C)n1
45286 Oc1cc(N2CCC(O)(CC2)c2ccc(Br)cc2)c(O)n1-c1ccc(Cl)cc1
45287 Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C
45288 CN1CCN(CC1)c1nc2c(C)cc(C)cc2cc1C#N
45289 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
45290 Cc1cc(C)n(n1)-c1nnc(C)n1NS(=O)(=O)c1ccc(F)cc1
45291 COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nn1cnnc1
45292 CCc1cccc(CC)c1N(COC)C(=O)Cn1c(CO)nc2ccccc12
45293 O=S(=O)(N1CCCC1)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
45294 CC1(C)CC(CC(C)(C)N1)NCc1cccnc1
45295 CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCOC)c1
45296 COC(=O)c1nnc(NC(C)=O)[nH]1
45297 Cn1c(SCC(N)=O)ncc1-c1ccccc1
45298 O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1
45299 O=C1N(C(=O)c2ncccc12)c1cccc(c1)-c1nc2ccccc2o1
45300 CCOC(=O)c1cc2sccc2n1CC(=O)N1C(C)Cc2ccccc12
45301 CCc1c(C)nc2ncnn2c1N1CCC(CC1)C(=O)Nc1ccccc1
45302 CCOc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(C)CC1)c1nnnn1C1CCCCC1
45303 Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O
45304 Cc1nc2ccccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1
45305 Cc1ccn(CC(O)=O)c(=O)c1
45306 Cc1ccc2oc(NC(=O)N3CCOCC3)cc(=O)c2c1
45307 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)NC1CCCC1
45308 CCNc1ccc2c(Cl)cc(=O)oc2c1
45309 Cc1ccc(C)c2[nH]c(=O)c(CN(CC3CCCO3)Cc3nnnn3C3CCCCC3)cc12
45310 CC1(C)Oc2ccc(cc2N(CC(=O)NC2CCCC2)C1=O)C(=O)NC1CCCC1
45311 Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1
45312 COc1ccc(CN(C(C(=O)NC(C)(C)C)c2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1
45313 COc1cc(COCC(O)CN2CCOCC2)cc(OC)c1OC
45314 O=c1oc(nc2n(ncc12)-c1ccccc1)-c1ccco1
45315 Oc1cn(Cc2ccccc2)\c(=N\Cc2ccco2)s1
45316 CC(=O)Oc1oc(nc1C=Nc1ccccn1)-c1ccccc1 |w:10.11|
45317 COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F
45318 Brc1cccc(NC(=O)CCN2CCCC2)c1
45319 Cn1nccc1C(=O)Nc1ccccc1C(O)=O
45320 COc1ccc(cc1OC)C1C(C(C)=O)C(=O)C(=O)N1c1nccs1
45321 CC1=C(C(N2C(=O)CCSC2=N1)c1cccs1)C(=O)OCC=C |c:11,t:1|
45322 Cc1nc(SCC=C)[nH]c(=O)c1CC=C
45323 Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1
45324 Cn1c2nc(Br)n(CCSc3ncccn3)c2c(=O)n(C)c1=O
45325 COc1ccc(cc1)-n1ncc2c(NCc3ccccn3)ncnc12
45326 CN(C)CCCN1C(C(C(=O)c2ccc3OCCOc3c2)C(=O)C1=O)c1ccc(C)o1
45327 COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1ccco1
45328 COC(=O)c1[nH]c(C)c(C(=O)C2C(N(CCN(C)C)C(=O)C2=O)c2cccc(OC)c2OC)c1C
45329 COc1ccc(C=Nn2c(=O)[nH]c3c4cc(C)ccc4[nH]c3c2=O)cc1CN1CCOCC1 |w:7.7|
45330 CCOCCCn1cnc2n(-c3ccccc3)c3nc4ccccc4nc3c2c1=O
45331 CCC(C)[C@H](NC(=O)Nc1ccc(cc1)C(C)=O)C(=O)OC
45332 CCCC(=O)N=C1SC2CS(=O)(=O)CC2N1c1ccc(CC)cc1 |w:5.4|
45333 CCCc1nc2n[nH]c(N)c2c2CCCc12
45334 OCCCN1C(c2c(oc3ccccc3c2=O)C1=O)c1cccc(F)c1
45335 Clc1cccc2[nH]c3c(ncn(CCN4CCCCC4)c3=O)c12
45336 CCOC(=O)C1C(=N)Oc2c(c(=O)oc3ccccc23)C11C(=O)N(C)c2ccccc12
45337 COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
45338 Cc1cc2OC(=N)C(C#N)C(Cc3ccccc3)c2c(=O)n1C
45339 COC(=O)Cc1c(C)nc2nc[nH]n2c1=O
45340 Cn1c2nc(CN3CCc4ccccc4C3)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
45341 Fc1ccc(cc1)C(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1
45342 COc1cccc2sc(NC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)nc12
45343 [H]C12CC([H])(C(C=Nn3cnnc3)=CC1)C2(C)C |w:7.7,c:13,THB:6:5:15:2|
45344 COc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(cs2)-c2ccccc2)CC1
45345 c1coc(c1)-c1nc2ccccc2nc1-c1ccco1
45346 COCc1c(oc2ccccc12)C(=O)OCc1nc(N)nc(Nc2ccccc2C)n1
45347 Cc1cc(C)n(N=Cc2ccccc2)c(=O)c1C#N |w:6.5|
45348 O=C(Cn1nnc(n1)-c1ccccc1)OCc1csc(n1)-c1ccccc1
45349 CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(cc1)S(N)(=O)=O
45350 CN(C)c1cccc(c1)C(=O)n1cc(cn1)C(=O)c1cc(F)ccc1O
45351 Cc1cc(C(=O)Nc2ccc(cc2)N2CCOCC2)c2ccccc2n1
45352 CCOc1cc(C=Nn2cnnc2)cc(Br)c1O |w:7.7|
45353 CCOC(=O)c1ccc2n(CC)c(nc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
45354 Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F |(4.02,.44,;4.34,1.94,;3.31,3.09,;4.08,4.42,;5.59,4.1,;6.73,5.13,;5.75,2.57,;7.08,1.8,;7.08,.26,;8.41,-.51,;9.75,.26,;11.08,-.51,;12.46,.31,;13.85,-.48,;13.85,-2.08,;12.46,-2.87,;11.08,-2.05,;9.75,-2.82,;9.75,-4.36,;8.41,-2.05,;7.08,-2.82,;7.08,-4.36,;5.75,-5.13,;4.41,-4.36,;3.08,-5.13,;4.41,-2.82,;5.75,-2.05,;5.75,-.51,)|
45355 Cc1ccc(cc1)-n1c(O)c(sc1=O)N(CC(O)=O)c1cccc(C)c1
45356 CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2OCOc2c1
45357 Cc1noc(C)c1CSCC(=O)Nc1cccc(C)c1C
45358 COCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
45359 CCOC(=O)CNC(=O)Cn1cnc2n(nnc2c1=O)-c1cccc(Cl)c1
45360 CC(=O)Nc1nonc1NC(=O)CSc1ccccn1
45361 OC1CCCN(C1)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
45362 COc1cccc(C(=O)Oc2cc(N)n(n2)S(=O)(=O)c2ccc(C)cc2)c1OC
45363 Cn1c2c(CCSC2=O)c2ccccc12
45364 O=C(CN1CCN(CC1)c1ccccn1)Nc1ccc(Oc2ccccc2)cc1
45365 O=C(NCc1ccco1)c1scc2OCCOc12
45366 CN(C)\C=C1/C=C(OC1=O)c1ccccc1 |c:5|
45367 Cc1c(sc2ncnc(N3CCc4ccccc4C3)c12)C(=O)N1CCOCC1
45368 Cc1ccc(c(C)c1)-n1ncc2c1nc[nH]c2=O
45369 CCN1C(=O)c2[nH]nc(C(=O)OC)c2C1=O
45370 CN(C)CC(N=O)C(=O)Nc1ccc(C)cc1
45371 Cc1ccc2nc(NC(=O)C3CCCN(C3)S(=O)(=O)c3cccc4nsnc34)sc2c1
45372 O=C(CSC1=NCCS1)Nc1nc2CCCCc2s1 |t:4|
45373 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NC(C(C)C)C(O)=O)(C2)C3 |TLB:8:6:23:1.22.2,8:1:23:6.9.5,THB:5:6:22:3.23.2|
45374 O=C(NCCN1CCc2ccccc2C1)C1CN(C2CCCC2)C(=O)C1
45375 O=C(N1CCCCCC1)c1ccc(cc1)N1CCCC1=O
45376 COc1ccc(cc1F)C1=CSC2=NCCN12 |t:10,13|
45377 CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(COC)o1
45378 COc1ccc(cc1Br)C1C(C(O)=O)c2ccccc2C(=O)N1C
45379 Clc1ccc(cc1)-n1ncc2c1nc(SCC(=O)N1CCCc3ccccc13)[nH]c2=O
45380 CC(C)c1ccc(O)c(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c1
45381 COc1ccc(cc1OC)C1=NOC(C1)C(=O)Nc1ccc(C)cc1 |t:11|
45382 COC(=O)c1ccc(Nc2nc(C)cc(=O)[nH]2)cc1
45383 CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12
45384 Nc1c(cnn1Cc1ccc(Cl)cc1)C#N
45385 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC=C)c1ccc(F)cc1
45386 O=c1n(Cc2ccccc2)cnc2c(C#N)c3CCCCn3c12
45387 Cc1ccc(NC(=O)CSCC(N)=O)cc1C
45388 Cc1cnn(c1)C(=S)NCc1ccc(Cl)cc1
45389 CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
45390 Cc1ccc(o1)C1C(C(=O)OCC2CCCO2)C(C)=NC2=C1C(=O)CC(C2)c1ccc(F)cc1 |c:20,22|
45391 COc1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1OC
45392 Cc1ccc(C)c(c1)C(=O)n1cnnc1N
45393 COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1
45394 Cc1ccc(o1)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)Nc1ccc(C)cc1 |c:17,20|
45395 Cc1cc(C)n(n1)C(=O)CNc1cccc(Cl)c1C
45396 CNC(=O)c1ccc(cc1)N(Cc1ccccc1)S(C)(=O)=O
45397 COc1ccc(cc1OC)N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O
45398 CN(C)\C=C\c1c(C#N)c(=O)ncn1Cc1ccccc1
45399 Cc1nnc(NC(=O)c2oc3cc(C)ccc3c2C)s1
45400 O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2OCOc2c1
45401 Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
45402 COc1cc(Cl)c(C)cc1NC(=O)CSC
45403 COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2CCCc12
45404 COc1ccccc1C(=O)n1nc(nc1N)-c1ccccc1
45405 COc1cc(NC(=O)C2CC=CCC2C(O)=O)c(OC)cc1Cl |c:10|
45406 COc1ccc(cc1OC)C(=O)n1nc(C)cc1C
45407 Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)N1CCC2(CC1)OCCO2 |t:9|
45408 COc1cc(C)c(cc1C)S(=O)(=O)NCc1cccs1
45409 COC(=O)CSc1nnc(-c2sc3cc(OC)ccc3c2Cl)n1C
45410 CCOCCn1c(nc2ccccc12)-c1ccc(OC)cc1
45411 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCNC(=O)Nc2ccccc2)C1=O |c:5,TLB:24:7:2:6.5,THB:9:8:2:6.5|
45412 CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)Nc1nc(C)cs1
45413 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1c(C)noc1C
45414 COc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)nn(C)c1C
45415 Cc1nc2nc(C)cc(Nc3ccc(C)c(C)c3)n2n1
45416 COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1
45417 CC1CN(CCN1c1cccc(C)c1)C(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
45418 Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccc(C)cc1
45419 COc1ccc(cc1)C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2ncnn12 |c:24|
45420 Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1
45421 CCOc1ccc(cc1)N(CC(=O)Nc1ccc2OCCOc2c1)S(=O)(=O)c1c(C)noc1C
45422 CC(=O)N1CCc2c(C1)sc(NC(=O)C1CC1)c2-c1nc2ccccc2s1
45423 Clc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)N2CCOCC2)cc1
45424 COc1ccc(cc1)C1CC(n2nc(cc2N1)C(=O)Nc1ccc2OCOc2c1)C(F)(F)F
45425 OC(=O)CC(Cc1ccc(Br)cc1)C(O)=O
45426 CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2CCCCc12
45427 CS(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)C(=O)NC1CCCCC1O
45428 CN(C)c1ccc(cc1)C(=S)N1CCOCC1
45429 CN(C(=O)Oc1cccc2cccnc12)c1ccccc1
45430 COc1ccccc1NC(=O)CSc1nnnn1C
45431 COc1ccccc1N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1
45432 Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O
45433 [#6]-[#6](-[#6]-[#6]-[#6]=[#6](-[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]=O |w:4.3|
45434 CCC(=O)OCCn1c(=O)c2cc3c(cc2c1=O)c(=O)n(CCOC(=O)CC)c3=O
45435 COc1cc(C=Nn2cnnc2)ccc1OC(=O)c1cccnc1 |w:6.6|
45436 CCC(C)NC(=O)C1CN(CCN1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
45437 COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
45438 C(Nc1nc(cs1)-c1cccnc1)c1ccco1
45439 Brc1ccc(o1)C(=O)NCc1ccncc1
45440 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
45441 Cc1onc(c1C(=O)n1cc(Br)cn1)-c1ccccc1
45442 Fc1ccc(OCc2ccc(o2)C(=O)n2cc(Br)cn2)cc1
45443 COc1ccc(cc1OC)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
45444 Cc1ccc(OCc2nnc(SCC(O)=O)n2N)cc1
45445 Fc1ccccc1N1CCN(CC1)S(=O)(=O)N1CCCCC1
45446 O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1ccc2OCOc2c1
45447 Cc1cc(-n2ccnc2)n2c(nc3ccccc23)c1C#N
45448 CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1
45449 COC(=O)C(C=Nc1ccccc1)[N+]([O-])=O |w:6.6|
45450 CC(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1
45451 COC(Cn1c(C)c(C(C)=O)c(C(C)=O)c1C)OC
45452 Cc1cc(C(C#N)c2cccc(Cl)c2)n2ncnc2n1
45453 CCOC(=O)c1sc(nc1C)N(C)C(C)=O
45454 CC(=O)Nc1ccc(NC(=O)CSc2ncnn2-c2ccccc2)cc1
45455 COCCN(C(=O)C1CC1)c1nnc(s1)-c1ccc(C)cc1
45456 CC(C)Cn1c(nc2ccccc2c1=O)-c1ccccc1
45457 CC1(C)C2(C)CCC1(OC2=O)C(=O)NC(c1ccccc1)c1ccccc1 |TLB:10:9:1:5.6|
45458 C[O+]=N[CH-]c1ccc(Sc2ccccc2N)c(c1)[N+]([O-])=O |w:1.0|
45459 CC1=NC2=C(C(C1C(=O)OCC1CCCO1)c1cccc(c1)C(F)(F)F)C(=O)CC(C2)c1ccco1 |c:3,t:1|
45460 CCOc1ccc(CNc2ncnc(N)n2)cc1
45461 C[n+]1ccn(c1)C(=O)N(c1ccccc1)c1ccccc1
45462 Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12
45463 OC(=O)CC(=O)Nc1ccccc1C(O)=O
45464 Cc1c(NC(=O)c2ccc(Br)o2)cccc1C(O)=O
45465 CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
45466 COc1cc(NC(=O)c2cc3nc(cc(n3n2)C(F)(F)F)C2CC2)c(OC)cc1Cl
45467 CCC(C)NC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
45468 Cc1ccc(NC(=O)CCn2cccc2)cc1C
45469 Cc1cc(Br)c2[nH]c3c(CCCC3=O)c2c1
45470 CCOC(=O)CSc1snnc1-c1ccccc1
45471 [#6]-[#8]-c1cc(\[#6]=[#6](\[#6](-[#6])=O)-[#6](-[#6])=O)ccc1-[#8]
45472 CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
45473 Cc1ccc(NC(=O)NCc2ccc3OCOc3c2)cc1
45474 CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc(cc2)[N+]([O-])=O)cc1 |w:13.12|
45475 CCC(CC)c1nnc(NC(=O)Oc2ccccc2)s1
45476 COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
45477 COc1ccc2c3ccc(OCC(=O)N4CCc5ccccc5C4)c(C)c3oc(=O)c2c1
45478 CCCCCOC(=O)Nc1nnc(CCCCC)s1
45479 CC(C)N=CC1C(=O)Nc2ccccc12 |w:3.2|
45480 CC1CCCN(C1)C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
45481 CCCOc1ccc(cc1)C(=O)NC(C)C(O)=O
45482 COc1ccc(\C=C2\SC(=S)N(C2=O)n2c(C)ccc2C)cc1
45483 Cc1c(NC(=O)CSc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C
45484 CCc1c(C)nc(N)nc1N1N=C1SCC#N |c:12|
45485 Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1
45486 Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccc2OCOc2c1
45487 COC(=O)Cc1c(C)nc2nc([nH]n2c1=O)-c1ccc(C)cc1
45488 Fc1ccc(cc1)C(=O)Nc1ncnc2sc3CCCCCc3c12
45489 [H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C2=O)c1ccc(OC)cc1)C(=O)Nc1ccccc1 |c:4|
45490 CCCCc1[nH]c(=O)c(C#N)c2CCCCc12
45491 CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
45492 COc1ccc(OC)c(NC(=O)CC2N(CCNC2=O)C(=O)Nc2cccc(Cl)c2)c1
45493 O=C1OC(Nc2ncccn2)c2ccccc12
45494 Cc1csc(NC(=O)Cc2c[nH]c3ccccc23)n1
45495 CCOc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)on2)nnc1-c1c[nH]c2ccccc12
45496 CCC(CO)n1c(SCc2cc(=O)oc3cc(C)ccc23)nc2ccccc2c1=O
45497 Clc1cnc(C(=O)Nc2nc(cs2)-c2ccccn2)c(Cl)c1Cl
45498 CC(C)(C)c1ccc(cc1)C1(C)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O
45499 Clc1cc(Cl)c(cc1C(=O)Nc1nnc(s1)-c1ccccc1)S(=O)(=O)N1CCOCC1
45500 Cc1ccccc1N1CCN(Cc2c[nH]c3ccccc23)CC1
45501 COC(=O)c1c(NC(=O)c2c(C)onc2-c2ccccc2Cl)sc2CCCc12
45502 COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12
45503 Cc1cc(NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)c2c(Cl)cccc2Cl)no1
45504 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)CCN1C(=O)c2ccccc2C1=O
45505 Clc1ccc(CNc2nnnn2-c2ccccc2)c(Cl)c1
45506 O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)N1CC(=O)Nc2ccccc12
45507 Cc1sc(NC(=O)c2ccco2)c(CN2CCN(CC2)c2ccc(F)cc2)c1C
45508 FC(F)Oc1ccccc1NC(=O)COC(=O)COc1ccccc1Cl
45509 CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1
45510 COC(=O)c1sccc1NC(=O)\C=C\c1c(Cl)cccc1Cl
45511 COc1cccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)c1OC |w:8.8|
45512 CCOC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)[nH]1
45513 Cc1cccc(c1)C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:10.10|
45514 CCOC(=O)C[n+]1c(C)sc2ccc(OC)cc12
45515 Cc1ccc(CN=Nc2nc3ccc(Cl)cc3[nH]2)o1 |w:7.7|
45516 Cc1ccc(o1)C(=O)NCCNc1ccc(Cl)cc1[N+]([O-])=O
45517 O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1nccs1
45518 [O-][N+](=O)c1cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccccc2Cl)ccc1Cl
45519 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
45520 Fc1ccccc1C(=O)NC1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12
45521 Cc1cc(OC(=O)c2ccc(Cl)cc2Cl)nc(C)n1
45522 CCOC(=O)C(C(=O)NCc1cccc(OC)c1)c1ncc(cc1Cl)C(F)(F)F
45523 CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1cccc(Cl)c1
45524 Cc1ccccc1Cn1cnc2c(NS(C)(=O)=O)c(C)c(C)cc12
45525 CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc(Cl)c(Cl)c1
45527 Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc12
45528 Cc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1 |w:13.15|
45529 Cc1ccc(cc1)C(=O)ONc1ccc(cc1)N=O
45530 CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1
45531 Cc1cc([nH]n1)C(=O)NN=Cc1cccc(OC(=O)c2ccco2)c1 |w:9.9|
45532 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCC1=CCCCC1)Cc1ccccc1 |t:18|
45533 CCN1C(C)=C(C(=O)OC)\C(=C\c2ccco2)C1=O |t:4|
45534 Clc1ccc(Cl)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1
45535 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccco1
45536 CN1C(=O)C(=NOC(=O)c2cccc(C)c2)c2ccccc12 |w:5.5|
45537 Fc1ccccc1C(=O)Nc1ccc(cc1)C1(CCCC1)C#N
45538 Cc1nn2c(CN(C(=O)CN3CCOCC3)c3ccccc3)nnc2c2ccccc12
45539 COC(=O)CC1N(CCNC1=O)C(=S)Nc1cccc(C)c1
45540 Cc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1C
45541 Cc1ccc(cc1)C(=O)N\C(=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C(=O)NC(C)(C)C
45542 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=C(C)C(=O)C=C1C |w:15.15,c:23,t:18|
45543 COc1cc(cc(OC)c1OC)C(=O)ON=C1C=CC(=O)C=C1C |w:15.15,c:18,22|
45544 O=C(C[n+]1cc(-c2ccccc2)n2CCCc12)Nc1nc(cs1)-c1ccccc1
45545 Cc1ccc(CSc2ncnc3n(ncc23)-c2ccc(C)cc2)cc1
45546 ClCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CC4)C3=O)ccc12
45547 CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccccc1)c1ccccc1 |w:3.3,13.13|
45548 Fc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1
45549 [O-][N+](=O)c1cccc(NC(=O)COC(=O)\C=C\c2ccco2)c1
45550 Clc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccnc2Cl)n1CC=C
45551 O=C(COc1ccccc1)NCC(=O)NN=Cc1ccccc1 |w:15.15|
45552 COc1ccccc1CC(=O)NN1C(=O)c2ccccc2C1=O
45553 [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8]-[#6])-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:24,t:18|
45554 COc1cccc(NC(C(=O)Nc2cccc(c2)C(C)=O)c2ccccc2)c1
45555 COc1ccc(C2=[N+](C)CCn3cccc23)c(OC)c1 |c:6|
45556 Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCc2ccccc12
45557 COC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N
45558 CCN(CC)c1ccc([CH+][N-]NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1
45559 Fc1ccc(NC(=O)Cn2c(\C=C\c3ccccc3)nc3ccccc23)cc1
45560 C(Nc1ncnc2scc(-c3ccccc3)c12)C1COc2ccccc2O1
45561 Nn1c(Cc2cccc3ccccc23)nnc1SCCOc1ccc(F)cc1
45562 [H]C12CCC([H])(C1)C(CC(=O)OCc1nnc(o1)-c1cc(nc3ccccc13)-c1ccc(OC)c(OC)c1)C2 |TLB:8:7:6:3.2|
45563 Nc1ccnn1Cc1cccs1
45564 Clc1ccc(s1)C(=O)COC(=O)c1ccc2ccccc2n1
45565 Clc1ccc(cn1)C(=O)OCC(=O)N1CCCc2ccccc12
45566 Cc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1
45567 CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccccc1
45568 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccccc1Cl
45569 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccc(C)cc1
45570 O=C(Oc1cc(=O)n2ccccc2n1)c1ccccc1
45571 CCCC(=O)NNC(=O)c1ccoc1C
45572 Brc1ccc(C=NNC(=O)CCC(=O)NCc2ccccc2)s1 |w:6.6|
45573 Cc1c(C)c2ccccc2n1CCC#N
45574 CCOC(=O)c1cn(Cc2ccccc2)nn1
45575 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)NC1CC(C)CC(C)(C)C1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
45576 CCOC(=O)c1cnn(C(=O)c2ccccc2)c1N
45577 CCN1CCN(CC1)C(=O)\C=C\c1c(F)cccc1Cl
45578 COc1cc2nc(COc3ccccc3[N+]([O-])=O)oc(=O)c2cc1OC
45579 COc1ccc(N2CCCn3c2nc2n(C)c(=O)n(Cc4ccc(C)cc4)c(=O)c32)c(OC)c1
45580 COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccccc1)-c1ccccc1)C(=O)CCCC(O)=O |t:9|
45581 CN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
45582 Cc1cc(C)c(C#N)c(SCc2ccc(cc2)[N+]([O-])=O)n1
45583 Cc1ccc(Cn2cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc23)cc1 |w:10.10|
45584 CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 |c:13|
45585 COc1cc(cc(Cl)c1OC)C(N)=O
45586 CSc1ccccc1C(=O)C1CCCN(C1)S(=O)(=O)N(C)C
45587 Cc1cccc(c1)C(=O)n1cnnc1N
45588 COc1ccc(cc1O)C1N(CCN1c1ccccc1)c1ccccc1
45589 Fc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
45590 CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O
45591 COC(=O)c1ccc(NC(=S)Nc2ccc(O)cc2)cc1
45592 COc1ccc(cc1OC)C1N(CCc2cc(OC)c(OC)cc12)S(C)(=O)=O
45593 COc1cccc(NC(=O)Nc2cccnc2)c1
45594 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCNc1ccccc1[N+]([O-])=O
45595 COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(ccc1C)C(O)=O
45596 Fc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1
45597 Cc1nn(CC(=O)N2CCc3ccccc3C2)c(C)c1[N+]([O-])=O
45598 Fc1cc(F)c2nc(sc2c1)N1CCCC1
45599 FC(F)(F)c1cc(nc(SCC(=O)NCCN2CCOCC2)n1)-c1ccco1
45600 Nc1nnc(SCn2nnc3ccccc3c2=O)[nH]1
45601 COc1ccc(Nc2nnc(SC(C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cc1
45602 O=C(NCCc1ccccc1)c1cc(=O)c2ccccc2o1
45603 S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1 |w:12.13,15.17|
45604 COc1ccc(Cl)cc1NC(=S)NNC(=O)C1(C)CC1(Cl)Cl
45605 COc1ccc(cc1)-c1nc(N)n(n1)C(=O)c1ccccc1
45606 CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1
45607 FC(F)(F)c1ccccc1NC(=O)COc1ccc(C=O)cc1
45608 COC(=O)c1ccccc1NC(=O)Nc1cc(C)ccn1
45609 COc1cccc(NC(=O)Nc2ccccc2SC)c1
45610 [O-][N+](=O)c1ccccc1CC(=O)Nc1ccccc1C(=O)N1CCCC1
45611 COc1cccc(CN2CCNC(=O)C2CC(=O)N2CCCC2(CC=C)CC=C)c1OC
45612 CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
45613 O=C(C1CCCN(Cc2nc(no2)-c2cnccn2)C1)c1cccnc1
45614 CCOC(=O)C1(Cc2cccc(F)c2)CCN(CC1)C(=O)Cn1cnnn1
45615 CCn1nc(C)c(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)c1C
45616 COc1ccccc1CN1CCNC(=O)C1CC(=O)N(C)Cc1cnccn1
45617 Cc1cc(CNC(=O)CC2N(CC(c3ccccc3)c3ccccc3)CCNC2=O)on1
45618 CCCn1cc(CN2CCCC(C2)C(=O)c2cccc(OC)c2)c(C)n1
45619 Cc1ncc(CN2CCCC(C2)C(=O)c2ccc(cc2)C(C)(C)C)s1
45620 COc1cc(cc(OC)c1OC)-c1nnco1
45621 COc1ccc(NC(NC(=O)c2cccnc2)C(Cl)(Cl)Cl)cc1
45622 CNS(=O)(=O)c1cc(ccc1OC)C(O)=O
45623 [O-][N+](=O)c1cccc(Nc2nc(OCC#C)nc(OCC#C)n2)c1
45624 [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccncc1
45625 Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
45626 Cc1cc(NC(=O)CCN2C(=S)S\C(=C/c3ccccc3F)C2=O)no1
45627 NC(=O)c1c(N)sc2CCCc12
45628 CN1CCN(CC1)c1ncnc(Cl)c1N
45629 CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccc2OCOc2c1
45630 Clc1ccccc1CN1CCN(CCCc2ccccc2)CC1
45631 OC(=O)Cc1ccc(NC(=O)CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
45632 CCCC(C)NC(=O)Cc1ccccc1
45633 CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN1CCOCC1
45634 CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc(N)s2)c1
45635 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1cccnc1
45636 Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccco1
45637 COC(=O)c1ccc(cc1)C(N(CCN1CCOCC1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
45638 CS(=O)(=O)c1nnc([nH]1)-c1ccc(Br)cc1
45639 CN(N=Cc1ccc2OCOc2c1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1 |w:2.1|
45640 CN(C)c1ccc(cc1)C(=O)NN1C(=O)c2ccccc2C1=O
45641 CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccco2)cc1
45642 [O-][N+](=O)c1cc(ccc1Cl)C(=O)O[N-]C(=[NH2+])c1ccccn1
45643 COc1ccc(OC)c(CNc2ccc(cc2C)[N+]([O-])=O)c1
45644 CC1CCOC2(O1)C(=O)Nc1ccccc21
45645 Fc1ccccc1CN(Cc1ccccc1)C(=S)NCC(=O)NCCc1ccccc1
45646 COc1ccc(CCNC(=O)CCn2c(=O)n(CC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1OC
45647 Clc1c2CCCCc2nc2cc(ccc12)C(=O)NCCCN1CCCC1
45648 CCOc1ccc(cc1)N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
45649 O=C1N=C(Nc2ccccc2)SC1=Cc1cccs1 |w:13.15,t:2|
45650 Fc1ccccc1NC(=S)NN=C1C(=O)N(CC=C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:11.11|
45651 COc1ccc(\C=C\C(=O)Oc2cc(C)[nH]c(=O)c2[N+]([O-])=O)cc1OC
45652 CCC1SC(CC)C(=O)N(CC(=O)NC2CCCCC2)C1=O
45653 COc1ccc(C=C(C#N)c2nnc(Cn3cncn3)[nH]2)cc1 |w:6.5|
45654 [O-][N+](=O)c1cncc(c1Nc1ccccc1Cl)[N+]([O-])=O
45655 COc1ccc(CN2CCN(CC2)C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)c(OC)c1OC |(4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;7.08,-2.31,;8.41,-1.54,;8.41,,;9.75,.77,;11.08,,;11.08,-1.54,;12.42,-2.31,;13.75,-1.54,;13.75,,;12.42,.77,;15.08,-2.31,;15.08,-3.85,;16.42,-1.54,;16.42,,;17.75,.77,;19.08,,;20.42,.77,;21.75,,;23.09,.77,;23.86,-.56,;22.32,2.1,;24.42,1.54,;25.75,.77,;27.09,1.54,;27.09,3.08,;25.75,3.85,;24.42,3.08,;19.08,-1.54,;17.75,-2.31,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,,;4.41,.77,;3.08,,)|
45656 CC(=O)Nc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1
45657 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(cc(C(=O)NCCN(C)Cc3ccccc3)c2c1)-c1ccccn1
45658 CCC(C)NC(=O)CSc1ncnc2sccc12
45659 COc1ccc(cc1OC)-c1cc(C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2ccccc2n1
45660 Cc1nc(SCc2ccccc2)c2ccsc2n1
45661 CCC(=NNC(=S)NC(C)C)c1ccc(OC(F)F)cc1 |w:3.3|
45662 CC(CN1C(C)CCCC1C)OC(=O)c1ccc(Cl)cc1Cl
45663 Fc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1
45664 CC(=O)NC(CC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
45665 NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
45666 [H]C12CCC(C)(c3c1c(nn3-c1ccccc1)C(=O)N1CCOCC1)C2(C)C |TLB:10:6:25:3.2,THB:8:7:25:3.2|
45667 Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)-c1ccc(Br)cc1
45668 Cc1ccc2nc(NCc3ccccc3)c(\C=N\Cc3cccnc3)c(=O)n2c1
45669 COc1ccc(CCn2c(C)cc(C(=O)CCl)c2C)cc1OC
45670 COc1ccc(CN(C)C(=S)Nc2ccc(Cl)cc2)cc1
45671 CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)Nc1cc(C)on1
45672 Fc1ccccc1C(=O)NCC(=O)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1
45673 COc1ccc(cc1NC(=O)CN(C)C1CCCCC1)S(=O)(=O)N1CCCCC1
45674 COc1ccc(O)c(C=NNC(=O)c2cc(=O)[nH]c3ccccc23)c1 |w:9.9|
45675 Cc1cccc(c1)N1N=C(CCC1=O)C(=O)N1CC(=O)Nc2ccccc12 |c:9|
45676 [H]C12CCC([H])(C1)C(C2)C(C)n1cc(O)c(c1N)-c1nc2ccccc2[nH]1 |TLB:9:7:6:3.2|
45677 FC(F)(F)c1nnc(NC(=O)c2cccs2)[nH]1
45678 CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
45679 Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F
45680 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)CNCc2ccccn2)c1
45681 CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2C)nc1C
45682 CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)C(N)=O
45683 OC(=O)[C@@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)c1ccccc1 |wU:3.3,(5.75,2.99,;7.08,2.22,;8.41,2.99,;7.08,.68,;8.41,-.09,;9.75,.68,;9.75,2.22,;11.08,-.09,;12.42,.68,;13.75,-.09,;13.75,-1.63,;15.08,-2.4,;16.42,-1.63,;16.42,-.09,;17.75,.68,;19.08,-.09,;20.46,.73,;21.86,-.06,;21.86,-1.66,;20.46,-2.46,;19.08,-1.63,;17.75,-2.4,;17.75,-3.94,;12.42,-2.4,;11.08,-1.63,;5.75,-.09,;4.41,.68,;3.08,-.09,;3.08,-1.63,;4.41,-2.4,;5.75,-1.63,)|
45684 CS(=O)(=O)N(CC(=O)NN=Cc1ccccc1C(O)=O)c1cccc(Cl)c1Cl |w:9.8|
45685 [H][C@]12C(C(=O)N(CCC(O)=O)C1=O)C1([H])c3ccccc3C2([H])c2ccccc12 |wU:1.0,TLB:19:20:2.1:28.23,24:23:2.1:15.20,3:2:15.20:28.23,THB:27:28:2.1:15.20,11:1:15.20:28.23,16:15:2.1:28.23,(11.83,-3.34,;11.2,-2.26,;10.46,-.98,;9.02,-1.28,;7.92,-.3,;8.87,-2.75,;7.59,-3.49,;6.31,-2.75,;5.03,-3.49,;3.75,-2.75,;5.03,-4.96,;10.21,-3.35,;10.52,-4.79,;14.14,.65,;14.16,-.27,;13.6,2.64,;13.62,4.18,;12.29,4.96,;10.96,4.19,;10.97,2.65,;12.32,1.91,;13.76,-.78,;13.82,-1.69,;16.47,-1.9,;17.54,-3.01,;19.03,-2.62,;19.43,-1.13,;18.33,-.05,;16.85,-.47,)|
45686 OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O
45687 CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21
45688 NNC(=O)CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 |c:14|
45689 [#6]C1([#6])[#8]\[#6](-[#8]C1([#6])[#6])=[#6]\[#6]=[#7]\c1ccc(Cl)cc1
45690 Cn1ncc(Oc2ccc(cc2)[N+]([O-])=O)c(Cl)c1=O
45691 OC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1
45692 COc1ccc(OC)c(CN=Nc2cc(C)nc(n2)N2CCOCC2)c1 |w:11.11|
45693 NC(=S)C(=NNc1ccccc1)C#N |w:4.4|
45694 COc1ccc(cc1)C1CC(=O)C(C(C2C(=O)CC(CC2=O)c2ccc(OC)cc2)c2ccc(O)cc2)C(=O)C1 |(17.75,9.24,;17.75,7.7,;16.42,6.93,;16.42,5.39,;15.08,4.62,;13.75,5.39,;13.75,6.93,;15.08,7.7,;12.42,4.62,;11.08,5.39,;9.75,4.62,;8.41,5.39,;9.75,3.08,;8.41,2.31,;8.41,.77,;9.75,,;11.08,-.77,;9.75,-1.54,;8.41,-2.31,;7.08,-1.54,;7.08,,;5.75,.77,;8.41,-3.85,;7.08,-4.62,;7.08,-6.16,;8.41,-6.93,;8.41,-8.47,;7.08,-9.24,;9.75,-6.16,;9.75,-4.62,;7.08,3.08,;7.08,4.62,;5.75,5.39,;4.41,4.62,;3.08,5.39,;4.41,3.08,;5.75,2.31,;11.08,2.31,;12.42,1.54,;12.42,3.08,)|
45695 Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c2c1
45696 CSc1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
45697 CCOC(=O)CNC(=O)Cc1ccc(OC)cc1
45698 Cc1ccc(cc1)N(CC(O)CN1C(=O)NC(C)(C)C1=O)S(=O)(=O)c1ccc(C)cc1
45699 Clc1ccccc1NC(=O)C1CN(C(=O)C1)c1ccccc1
45700 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc(Br)cc2)-[#6](=O)-[#6]1
45701 Brc1c(C[n+]2ccccc2)nc2ccccn12
45702 CCOC(=O)C1=C(C)NC(=S)N(C1c1ccc(OC)c(OC)c1)C(C)=O |c:5|
45703 COc1ccc(cc1OC)C(=O)CSc1nc2ncccc2[nH]1
45704 COc1ccc2nc3ccccc3nc2c1N
45705 C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1
45706 Cc1ccsc1C=NNC(=O)c1ccc2OCCOc2c1 |w:7.8|
45707 COc1cccc(c1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
45708 CC(CNCCNc1ccc(cc1)[N+]([O-])=O)Oc1nonc1C
45709 CCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1
45710 Fc1ccc(SCCc2cccc[nH+]2)cc1
45711 CC(C)Oc1ccc(cc1)C(CC(=O)NCCCN(C)C)c1ccc(C)cc1
45712 CCOC(=O)C(=C\N=c1/ccc(C)cn1C)\C#N
45713 COc1ccc(\C=C2/N=C(C)OC2=O)cc1[N+]([O-])=O |t:8|
45714 CCOC(=O)c1c(O)c2cc(Cl)ccc2n(CC)c1=O
45715 CC(=NNC(=O)CCn1nnc2ccccc12)c1cccs1 |w:2.2|
45716 O=C(CSc1nc2ccccc2s1)NC1CCCC1
45717 CCC1=NN(C(=O)Cc2ccc(cc2)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:2|
45718 Cc1n[nH]c(C)c1CCC(=O)NN=Cc1cccs1 |w:12.12|
45719 CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl |w:9.10|
45720 COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1
45721 COc1ccc(cc1)-n1c(O)cc(Nc2cccc(c2)[N+]([O-])=O)c1O
45722 COCCCn1c(=O)c(=Cc2ccccc2OC(C)C)s\c1=C(\C#N)C(=O)Nc1ccc(cc1)C(O)=O
45723 Clc1cc(Cl)c(NNC(=O)c2n[nH]c(=O)c3ccccc23)c(Cl)c1
45724 OC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:8|
45725 OC(=O)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 |w:8.7|
45726 Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(CC1)C(=O)c1ccco1
45727 OCCn1c2ccccc2c2cc(ccc12)[N+]([O-])=O
45728 O=C(Nc1cc(=O)[nH]c2ncnn12)c1ccco1
45729 Clc1ccc(CN2CCN(CC2)C2CC(=O)N(CCc3ccccc3)C2=O)cc1
45730 CC(C)C[C@H](N)C(=O)NN=Cc1c(C)[nH]c(=O)[nH]c1=O |w:9.8|
45731 CCC(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:14|
45732 Fc1cccc(Cl)c1C(=O)NNc1cc(Cl)ccc1Cl
45733 O=C(NCc1ccco1)c1ccc2OCCc2c1
45734 Cc1ccc(cc1)C(=O)NCCN1CCNC1=O
45735 Cc1ccc(cc1)S(=O)(=O)CCN1CCN=C(C=C1)C(F)(F)F |c:16,18|
45736 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N(Cc1cccs1)Cc1ccccc1
45737 OC(=O)CC1(CC(=O)NCc2ccncc2)CCCCC1
45738 Cc1onc(c1-c1nnc(o1)-c1ccc(cc1)C(F)(F)F)-c1c(F)cccc1Cl |(11.58,1.83,;12.49,.58,;14.03,.58,;14.5,-.88,;13.26,-1.79,;12.01,-.88,;10.5,-.56,;9.36,-1.59,;8.03,-.82,;8.35,.68,;9.88,.85,;7.32,1.83,;5.81,1.51,;4.78,2.65,;5.25,4.12,;6.76,4.44,;7.79,3.29,;4.22,5.26,;3.19,6.41,;3.08,4.23,;5.37,6.29,;13.26,-3.33,;14.59,-4.1,;15.92,-3.33,;14.59,-5.64,;13.26,-6.41,;11.92,-5.64,;11.92,-4.1,;10.38,-4.1,)|
45739 C1CCN(CC1)c1ccccc1-n1cccc1
45740 COc1cccc2sc(N=CN(C)C)nc12 |w:9.8|
45741 CN(NC1OC(=O)c2ccccc12)c1ncc(Cl)cc1C(F)(F)F
45742 CC(C)(C)C(=O)N1N=C(Nc2ccccc2)SC1(C)C |t:7|
45743 Cc1cc(=O)n2COCSc2n1
45744 CN1CCN(CC1)c1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1
45745 CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCCC(O)=O)cn2)cc1
45746 O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1csnn1
45747 NS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1
45748 COC(C[C@H](O)C[C@@H](O)[C@H](C)OCc1ccccc1)OC
45749 Cc1ccc(cc1S(=O)(=O)N1CCCC1)-n1sc2ccccc2c1=O
45750 O=C(NCc1ccccc1)c1ccc(cc1)-n1sc2ccccc2c1=O
45751 CCCNC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
45752 O=C(N1CCCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
45753 O=C(NC1CC1)c1ccc(cc1)-n1sc2ccccc2c1=O
45754 O=C(N1CCOCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
45755 O=C(NCc1ccco1)c1ccc(cc1)-n1sc2ccccc2c1=O
45756 O=C(N1CCCCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
45757 CCN(CC)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
45758 O=C(NCCN1CCCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
45759 CN(C)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
45760 Cc1ccc(cc1C(=O)N1CCCCC1)-n1sc2ccccc2c1=O
45761 CCCN(CCC)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
45762 CN1CCN(CC1)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
45763 O=C(NCC1CC1)c1ccc(cc1)-n1sc2ccccc2c1=O
45764 CCCNC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
45765 O=C(N1CCCCC1)c1cccc(c1)-n1sc2ccccc2c1=O
45766 O=C(N1CCCC1)c1cccc(c1)-n1sc2ccccc2c1=O
45767 O=C(N1CCOCC1)c1cccc(c1)-n1sc2ccccc2c1=O
45768 O=C(NC1CC1)c1cccc(c1)-n1sc2ccccc2c1=O
45769 CCN(CC)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
45770 CCCN(CCC)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
45771 O=C(NCc1ccco1)c1cccc(c1)-n1sc2ccccc2c1=O
45772 CN(C)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
45773 O=C(NCc1ccccc1)c1cccc(c1)-n1sc2ccccc2c1=O
45774 CCCNC(=O)c1ccccc1-n1sc2ccccc2c1=O
45775 O=C(NCc1ccco1)c1ccccc1-n1sc2ccccc2c1=O
45776 O=C(NCc1ccccc1)c1ccccc1-n1sc2ccccc2c1=O
45777 COc1ccc(cc1)-c1cc([nH]n1)C(O)=O
45778 Nc1ccc(cc1)-c1cc([nH]n1)C(O)=O
45779 Cn1ccnc1Sc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
45780 Cc1c(nnn1-c1ccc(F)cc1)C(O)=O
45781 OC(=O)c1ccc([nH]1)-c1ccccc1
45782 OC(=O)c1cc(n[nH]1)-c1ccc2OCCOc2c1
45783 Cc1c(CCO)c(=O)oc2n[nH]c(-c3ccccc3)c12
45784 CC(C)CSc1nnc(N)[nH]1
45785 CC(=O)Nc1nnc(SCCc2ccccc2)[nH]1
45786 CCS(=O)(=O)c1nnc(NC(C)=O)[nH]1
45787 CCOC(=O)c1nnc(o1)-c1ccccc1
45788 Cc1c([nH]nc1-c1ccccc1)C(O)=O
45789 COc1ccc(OC)c(c1)S(=O)(=O)Nc1ccc[nH]c1=O
45790 Cc1c(nnn1-c1ccc(Cl)cc1)C(O)=O
45791 OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
45792 Cc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
45793 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cnc2ccccc2c1
45794 O=S(=O)(Nc1ccc2ccccc2c1)c1ccccc1
45795 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
45796 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
45797 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Nc1cnc2ccccc2c1
45798 COc1ccc(OC)c(NC(=O)c2cccnc2)c1
45799 CCCCc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
45800 Fc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
45801 COc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1
45802 COc1ccc(cc1OC)S(=O)(=O)Nc1ccncc1
45803 COc1ccc(cc1OC)S(=O)(=O)Nc1ccc2ccccc2c1
45804 CC(=O)Nc1nnc(SCc2ccc(Br)cc2)[nH]1
45805 Oc1c2CC=C(Cl)Cc2c(O)n1-c1nnc[nH]1 |t:4|
45806 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc2ccccc2c1
45807 Cc1ccc(c(C)c1C)S(=O)(=O)Nc1cnc2ccccc2c1
45808 CCOc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2c1
45809 COc1ccccc1Oc1ccc(cc1)S(=O)(=O)Nc1cccnc1
45810 COC(=O)c1cc(n[nH]1)-c1ccc(cc1)[N+]([O-])=O
45811 CCOc1ccc(OCC)c(c1)S(=O)(=O)Nc1cccnc1
45812 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccc2ccccc2c1
45813 Oc1c2CC=CCc2c(O)n1-c1nnc([nH]1)-c1ccco1 |c:4|
45814 Clc1ccc(cc1)-c1nnc([nH]1)N1C(=O)c2ccccc2C1=O
45815 O=C1N(C(=O)c2ccccc12)c1nnc([nH]1)-c1ccco1
45816 CC(C)c1ccc(cc1)-c1cc([nH]n1)C(O)=O
45817 COc1ccc(cc1S(=O)(=O)Nc1cccnc1)C(C)C
45818 COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccccc2c1
45819 COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2ccccc2c1
45820 COc1ccc(OC)c(NS(=O)(=O)c2cccc3cccnc23)c1
45821 OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1
45822 Oc1c2CCCCc2c(O)n1-c1nnc[nH]1
45823 Oc1c2CC=CCc2c(O)n1-c1nnc([nH]1)-c1cccnc1 |c:4|
45824 O=C1N(C(=O)c2ccccc12)c1nnc(CCc2ccccc2)[nH]1
45825 Oc1c2CC=CCc2c(O)n1-c1nnc[nH]1 |c:4|
45826 Oc1c2CCCCc2c(O)n1-c1nnc(Cc2ccccc2)[nH]1
45827 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1n[nH]c(CCc2ccccc2)n1 |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|
45828 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1nnc([nH]1)-c1ccccc1
45829 Oc1c2CCCCc2c(O)n1-c1nnc(CCc2ccccc2)[nH]1
45830 O=C1N(C(=O)c2ccccc12)c1nnc([nH]1)-c1cccnc1
45831 Oc1c2CC=CCc2c(O)n1-c1nnc(CCc2ccccc2)[nH]1 |c:4|
45832 CCc1ccc(OC)c(c1)S(=O)(=O)Nc1cccnc1
45833 COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cn1
45834 COC(=O)c1cc(n[nH]1)-c1ccc(C)cc1
45835 CCc1ccc(cc1)-c1cc([nH]n1)C(O)=O
45836 COc1cccc(c1)-c1cc([nH]n1)C(O)=O
45837 Cc1ccc(-c2cc([nH]n2)C(O)=O)c(C)c1
45838 Cc1ccc(cc1C)-c1cc([nH]n1)C(O)=O
45839 CCOc1ccc(cc1)-c1cc([nH]n1)C(O)=O
45840 COc1ccc(-c2cc([nH]n2)C(O)=O)c(OC)c1
45841 CCOc1cc(C)c(C)cc1S(=O)(=O)Nc1cccnc1
45842 CCOc1ccc(cc1S(=O)(=O)Nc1cccnc1)C(C)C
45843 CCOc1cc(C)ccc1S(=O)(=O)Nc1cccnc1
45844 COC(=O)c1cc(on1)-c1ccc(Br)cc1
45845 CC(=O)Nc1nnc([nH]1)S(C)(=O)=O
45846 COc1ccccc1NS(=O)(=O)c1ccc(OC)c2ncccc12
45847 CCOC(=O)c1[nH]nc-2c1COc1ccccc-21
45848 O=C(Nc1ccccc1)c1[nH]nc-2c1COc1ccccc-21
45849 CNC(=O)c1[nH]nc-2c1COc1ccccc-21
45850 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Cl
45851 Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl
45852 CCOC(=O)c1cc(n[nH]1)-c1cccc(c1)C(F)(F)F
45853 CCOc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Cl
45854 CC(C)(C)C(=O)COC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1
45855 CN(C1CCCCC1)C(=O)COC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1
45856 CC(OC(=O)c1cc(n[nH]1)-c1ccc(Br)cc1)C(=O)NC(C)(C)C
45857 CC(=O)Nc1nnc(SCc2cccc3ccccc23)[nH]1
45858 CC(=O)Nc1nnc(SCCCc2ccccc2)[nH]1
45859 CCCCSc1nnc(N)[nH]1
45860 Nc1nnc(SCC#C)[nH]1
45861 OC(=O)c1cc(n[nH]1)-c1ccccc1O
45862 OC(=O)c1cc(n[nH]1)-c1ccc(O)cc1
45863 O=C(CSc1nnc[nH]1)NCCOc1ccccc1
45864 COc1c(Cl)c(Cl)ccc1S(=O)(=O)Nc1cccnc1
45866 CCOc1cc(c(OCC)cc1C)S(=O)(=O)Nc1cccnc1
45867 CCOc1cc(C)c(cc1S(=O)(=O)Nc1cccnc1)C(C)C
45868 CCOc1ccc(cc1S(=O)(=O)Nc1cccnc1)C(C)(C)C
45869 COc1ccc(cc1S(=O)(=O)Nc1cccnc1)C(C)(C)C
45870 COc1cccc(c1)S(=O)(=O)Nc1cccnc1
45871 COc1cccc(c1)S(=O)(=O)Nc1ccncn1
45872 O=S(=O)(Nc1ccncn1)c1ccccc1
45873 Fc1ccc(Cl)cc1S(=O)(=O)Nc1cccnc1
45874 COc1ccc(cc1OC)S(=O)(=O)Nc1cnc2ccccc2c1
45875 O=S(=O)(Nc1cnc2ccccc2c1)c1ccccc1
45876 Fc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1
45877 O=S(=O)(Nc1cccnc1)c1ccccc1
45878 COc1ccc(cc1OC)S(=O)(=O)Nc1ccncn1
45879 COc1ccc(cc1OC)S(=O)(=O)Nc1cccnc1
45880 Fc1ccc(Cl)cc1S(=O)(=O)Nc1ccncn1
45881 COc1ccc(Br)cc1S(=O)(=O)Nc1cccnc1
45882 C(N1CCN=C1c1cccnc1)c1ccccc1 |c:4|
45884 C(c1ccncc1)n1ccnc1
45885 C(c1cccnc1)n1ccnc1
45886 c1ncn(n1)-c1cccnc1
45887 Cc1nc(c[nH]1)-c1cccnc1
45888 c1nnnn1-c1cccnc1
45890 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
45891 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccnc1
45892 FC(F)(F)Oc1ccccc1S(=O)(=O)Nc1cnc2ccccc2c1
45893 FC(F)(F)Oc1ccccc1S(=O)(=O)Nc1cccnc1
45894 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc2ncccc2c1
45895 FC(F)(F)Oc1ccccc1S(=O)(=O)Nc1ccc2ncccc2c1
45896 COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2ncccc2c1
45897 COc1ccc(OC)c(c1)C(=O)Nc1cnc2ccccc2c1
45898 COc1ccc(OC)c(NCc2cnc3ccccc3c2)c1
45899 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1
45900 COc1ccc(c(OC)c1)S(=O)(=O)Nc1cnc2ccccc2c1
45901 COc1cc(ccc1S(=O)(=O)Nc1cnc2ccccc2c1)N(O)O
45902 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)Nc1cnc2ccccc2c1
45903 Oc1c(Cl)cc(Cl)cc1S(=O)(=O)Nc1cccnc1
45904 COc1ccc(c(OC)c1)S(=O)(=O)Nc1cccnc1
45905 COc1cc(ccc1S(=O)(=O)Nc1cccnc1)N(O)O
45906 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)Nc1cccnc1
45907 NC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
45908 COc1ccc(Br)cc1S(=O)(=O)n1cc(C(N)=O)c2ccccc12
45909 COc1ccc(cc1)S(=O)(=O)n1cc(C(N)=O)c2ccccc12
45910 COc1ccc(OC)c(c1)S(=O)(=O)n1cc(C(N)=O)c2ccccc12
45911 COc1ccc(Br)cc1S(=O)(=O)Nc1ccon1
45912 ClC1=C(Cl)C(=O)N(C1=O)c1nnc(Cc2ccccc2)[nH]1 |c:1|
45913 Fc1cccc2C(=O)N(C(=O)c12)c1nnc(Cc2ccccc2)[nH]1
45914 Fc1ccc(Cc2nnc([nH]2)N2C(=O)c3ccccc3C2=O)cc1
45915 Oc1c2CC=CCc2c(O)n1-c1nnc(Cc2ccc(F)cc2)[nH]1 |c:4|
45916 Oc1c2CCCCc2c(O)n1-c1nnc(Cc2ccc(F)cc2)[nH]1
45917 COc1ccc(Cc2nnc([nH]2)N2C(=O)c3ccccc3C2=O)cc1
45918 COc1ccc(Cc2nnc([nH]2)-n2c(O)c3CC=CCc3c2O)cc1 |c:18|
45919 COc1cccc(Cc2nnc([nH]2)-n2c(O)c3CCCCc3c2O)c1
45920 COc1cccc(Cc2nnc([nH]2)-n2c(O)c3CC=CCc3c2O)c1 |c:19|
45921 COc1cccc(Cc2nnc([nH]2)N2C(=O)c3ccccc3C2=O)c1
45922 CN(C)C1=C(Cl)C(=O)N(C1=O)c1nnc(Cc2ccccc2)[nH]1 |c:3|
45923 COc1ccc(Cc2nnc([nH]2)-n2c(O)c3CCCCc3c2O)cc1
45925 OC(=O)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
45926 Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCCC2)c(Cl)c1
45927 COC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
45928 OC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
45929 Fc1cc(-c2cc([nH]n2)C(=O)N2CCCCC2)c(Cl)cc1Cl
45930 Clc1ccc(-c2cc([nH]n2)C(=O)N2CCCC2)c(Cl)c1
45931 Fc1cc(-c2cc([nH]n2)C(=O)N2CCCCCC2)c(Cl)cc1Cl
45932 CC(C)(C)NC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
45933 Fc1cc(-c2cc([nH]n2)C(=O)N2CCOCC2)c(Cl)cc1Cl
45934 Fc1cc(-c2cc([nH]n2)C(=O)N2CCCC2)c(Cl)cc1Cl
45935 Cc1ccc(cc1)-c1nc(N)nn1-c1ccccc1
45936 COc1ccc(CCc2nc(N)nn2-c2ccccc2)cc1OC
45937 CC(C)Cc1nc(N)nn1-c1ccccc1
45938 CC(C)c1nc(N)nn1-c1ccccc1
45939 Nc1nc(COc2ccccc2)n(n1)-c1ccccc1
45940 COc1ccccc1Cc1nc(N)nn1-c1ccccc1
45941 COc1cccc(Cc2nc(N)nn2-c2ccccc2)c1
45942 CCc1ccc(cc1)-c1ccc(cc1)-c1nc(N)nn1-c1ccccc1
45943 Nc1nc(Cc2cccc(Br)c2)n(n1)-c1ccccc1
45944 Nc1nc(Cc2ccc3ccccc3c2)n(n1)-c1ccccc1
45945 COc1cc(CCc2nc(N)nn2-c2ccccc2)cc(OC)c1OC
45946 COc1ccc(Cc2nc(N)nn2-c2ccccc2)cc1
45947 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1ccc(Cl)cc1
45948 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1ccc(F)cc1
45949 COc1ccc(cc1)-c1n[nH]c2CC(C)(C)CC(=O)c12
45950 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1cccc(Br)c1
45951 Cc1[nH]nc2CC(CC(=O)c12)c1ccc(F)cc1
45952 CCN(CC)C(=O)CSc1nnc([nH]1)-c1ccccc1OC
45953 O=C1CC(Cc2[nH]ncc12)c1ccccc1
45954 OCCSc1nnc([nH]1)-c1ccccc1
45955 COc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)[nH]c2c1
45956 Cn1ncc2c1ncn1c(nnc21)-c1ccc(Cl)cc1Cl
45957 COc1ccc(Cc2nc3c4cnn(C)c4ncn3n2)cc1
45958 CCCc1[nH]nc2CC(C)(C)CC(=O)c12
45959 COc1ccccc1-c1nnc(SCc2cccc(Br)c2)[nH]1
45960 COc1ccccc1-c1nnc(SCc2ccc(cc2)C(O)=O)[nH]1
45961 COC(=O)c1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1Cl
45962 Cn1ncc2c1ncn1c(nnc21)-c1ccccc1
45963 COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+]([O-])=O)[nH]1
45964 COc1ccccc1-c1nnc(SCc2ccccc2F)[nH]1
45965 COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)[nH]1
45966 Fc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccccc1Cl
45967 Cc1cccc(C)c1OCc1nnc2c3cnn(-c4ccccc4)c3ncn12
45968 Clc1ccccc1-c1nnc2c3cnn(-c4ccccc4)c3ncn12
45969 Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1
45970 COc1ccc(cc1)-c1nc2c3cnn(C)c3ncn2n1
45971 COc1ccc(cc1)-c1[nH]nc2oc(=O)c(CCO)c(C)c12
45972 CCCc1c(C)c2c(C)[nH]nc2oc1=O
45973 COc1ccc(cc1)-c1cc(n[nH]1)-c1ccc2ccccc2c1O
45974 CCCc1nn(C(C)=O)c2CC(C)(C)CC(=O)c12
45975 CC1(C)Cc2n[nH]c(C=Cc3ccccc3)c2C(=O)C1 |w:8.7|
45976 CSc1nnc(NC(=O)c2cc(F)c(F)c(F)c2F)[nH]1
45977 Nc1nnc([nH]1)-c1ccc(Cl)cc1
45978 Oc1ccccc1-c1nnc([nH]1)-c1ccccc1O
45979 [O-][N+](=O)c1ccc(cc1)-c1nnc([nH]1)-c1ccccc1
45980 Cc1[nH]nc2CC(C)(C)CC(=O)c12
45981 Clc1ccc(-c2n[nH]c(=S)[nH]2)c(Cl)c1
45982 CC1(C)Cc2[nH]nc(c2C(=O)C1)-c1cccnc1
45983 COc1ccccc1-c1nnc(SC)[nH]1
45984 COc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
45985 CSc1nnc(NC(C)=O)[nH]1
45986 Oc1c2CCCCc2c(O)n1-c1nccs1
45987 COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2ccccc2c1
45988 COc1ccc(c(OC)c1)S(=O)(=O)Nc1ccc2ccccc2c1
45989 CCCCn1c(C(=O)OC)c(s\c1=N/C(=O)c1cc(ccc1NC(C)(C)C)C(F)(F)F)C(C)C
45990 FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)Nc1ccc2ccccc2c1
45991 Fc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2ccccc2c1
45992 Ic1ccccc1NS(=O)(=O)c1cnc2ccccc2c1
45993 Brc1ccccc1NS(=O)(=O)c1cnc2ccccc2c1
45994 COC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
45995 COC(=O)c1cc(n[nH]1)-c1ccc(F)cc1F
45996 COC(=O)c1cc(n[nH]1)-c1cc(F)c(F)cc1F
45997 NNC(=O)c1cc(n[nH]1)-c1cc(F)c(F)cc1F
45998 NNC(=O)c1cc(n[nH]1)-c1ccc(F)cc1F
45999 NNC(=O)c1cc(n[nH]1)-c1ccc(Cl)c(Cl)c1Cl
46000 CCN(CC)C(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
46001 CC(C)CNC(=O)c1cc(n[nH]1)-c1cc(F)c(Cl)cc1Cl
46002 Cc1cccc(Nc2nc(cs2)-c2ccccn2)n1
46003 O=C(CCC1CCCC1)Nc1nnc[nH]1
46004 COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2ccccc2c1
46005 COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1cnc2ccccc2c1
46006 COc1ccccc1C(=O)Nc1cnc2ccccc2c1
46007 COc1ccc(OC)c(NC(=O)c2cnc3ccccc3c2)c1
46008 CN(C)C1=N[C@H]2[C@H](O[C@H](C(O)C3SCCCS3)[C@@H](COCc3ccccc3)[C@@H]2OCc2ccccc2)S1 |t:3|
46009 COC(=O)c1ccc(OC)c(c1)S(=O)(=O)Nc1ccc2ccccc2c1
46010 COc1ccccc1C(=O)Nc1ccc2ccccc2c1
46011 COc1ccc(F)cc1S(=O)(=O)Nc1ccc2ccccc2c1
46012 FC(F)(F)C1(NC(=O)Sc2ccccc2)Oc2ccccc2O1
46013 CCCCN(C)C(=O)NC1(Oc2ccccc2O1)C(F)(F)F
46014 FC(F)(F)C1(NC(=O)c2ccc(Cl)cc2)Oc2ccccc2O1
46015 ClC(Cl)(Cl)C1(NC(=O)OCN2C(=O)C3C=CC=CC3C2=O)Oc2ccccc2O1 |c:14,16|
46017 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1
46018 Cc1cc(C)c2c(n1)nc(SCC(=O)c1ccc(O)c(O)c1)[nH]c2=O
46019 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccncc1
46020 Oc1ccc(cc1O)C(=O)CSc1nnc([nH]1)-c1ccco1
46021 Cc1cccc(c1)-c1nc2CCCCc2c(SCC(=O)c2ccc(O)c(O)c2)n1
46022 Oc1ccc(cc1O)C(=O)CSc1nnnn1-c1ccc(F)cc1
46023 NC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
46024 COc1ccc(cc1OC)C(=O)CSc1nc2cc(C)c(C)cc2[nH]1
46025 CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccc1
46026 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc3OCOc3c2)n1
46027 Nc1nnc(s1)-c1cc2ccccc2oc1=O
46028 FC(F)(F)C1(NC(=O)N2CCCC2)Oc2ccccc2O1
46029 CC1(C)Oc2ccc(cc2O1)[N+]([O-])=O
46030 CC(C)(C)OC(=O)NC1(Oc2ccccc2O1)C(Cl)(Cl)Cl
46031 Nc1ccc(CNC(=O)NCC(O)N2CCCCC2C(=O)N2CCCC2)cc1
46032 CC(C)(C)C1(C)Oc2cccc(O)c2O1
46033 CCOC(=O)NC1(Oc2ccc(Cl)cc2O1)C(Cl)(Cl)Cl
46034 CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
46035 Clc1ccc(cc1S(=O)(=O)N1CCOCC1)-n1sc2ccccc2c1=O
46036 OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
46037 CCN(CC)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
46038 CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
46039 CSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)[nH]1
46040 Nc1ccc2OC3(CCCC3)Oc2c1
46041 CC(C)NCC(=O)c1ccc(O)c(O)c1
46042 Oc1ccc(cc1O)C(=O)CNC1CCCCC1
46043 Cc1ccc(C)c(c1)-n1sc2ccccc2c1=O
46044 COC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
46045 Cc1cc(C)nc(SCC(=O)c2ccc3OCOc3c2)n1
46046 COc1cc(ccc1O)C(=O)CSc1nc(C)cc(C)n1
46047 Cc1nc(Br)cn1CC(=O)c1ccc(O)c(O)c1
46048 Oc1ccc(cc1O)C(=O)Cn1cnc(Br)c1
46049 Oc1ccc(cc1O)C(=O)Cn1ccnc1-c1ccccc1
46050 Oc1ccc(cc1O)C(=O)CNc1nc2ccccc2[nH]1
46051 Oc1ccc(cc1O)C(=O)Cn1cnnc1
46052 Cc1cc2ncn(CC(=O)c3ccc(O)c(O)c3)c2cc1C
46053 Cc1cn(CC(=O)c2ccc(O)c(O)c2)cn1
46054 Oc1ccc(cc1O)C(=O)CN1CCCc2ccccc12
46055 Oc1ccc(cc1O)C(=O)Cn1cnnn1
46056 Oc1ccc(cc1O)C(=O)CN1CCCCC1
46057 Fc1ccc2sn(-c3ccccc3)c(=O)c2c1
46058 OC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
46059 Cc1ccc(C)c(c1)-n1sc2ccc(F)cc2c1=O
46060 Cc1ccc(C)c(c1)-n1sc2cc(F)ccc2c1=O
46061 Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1
46062 COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
46063 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1
46064 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1
46065 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1
46066 CCOc1ccc(cc1)-n1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(OC)cc1
46067 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1Cc1ccco1
46068 Oc1ccc(cc1O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC=C
46069 COc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
46070 Cc1cccc(c1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
46071 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(C)cc1
46072 CC(C)(C)c1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
46073 CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C)cc1
46074 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1C
46075 Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1CC=C
46076 Oc1ccc(CCn2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1O
46077 Oc1ccc(cc1O)C1=Nn2c(SC1)nnc2-c1ccccc1Cl |t:9|
46078 COc1ccc(cc1)-c1cc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc2n1
46079 Fc1ccc(cc1)-n1sc2ccccc2c1=O
46080 CCCCN1C(=O)C(=NNc2ccccc2)c2ccccc12 |w:8.8|
46081 CCCCN1C(=O)C(=NNc2ccccc2F)c2ccccc12 |w:8.8|
46082 CCCCN1C(=O)C(=NNc2ccccc2OC)c2ccccc12 |w:8.8|
46083 CCCCN1C(=O)C(=NNc2ccccc2C(F)(F)F)c2ccccc12 |w:8.8|
46084 CCCCN1C(=O)C(=NNc2ccccc2C)c2ccccc12 |w:8.8|
46085 CCCCN1C(=O)C(=NNc2ccccc2Cl)c2ccccc12 |w:8.8|
46086 Fc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
46087 COc1ccc(cc1)-n1sc2ccc(F)cc2c1=O
46088 Cc1cc(NCC(=O)c2ccc(O)c(O)c2)[nH]n1
46089 Cn1c(NCC(=O)c2ccc(O)c(O)c2)nc2ccccc12
46090 Cn1ccnc1SCC(=O)c1ccc(O)c(O)c1
46091 Cc1cc(C)nc(SCC(=O)c2ccc(Cl)cc2Cl)n1
46092 CCN(CC)c1ccc(cc1)C(=O)CSc1nc(C)cc(C)n1
46093 Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)o1
46094 Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1
46095 Oc1ccc(CCNC(=O)C2CCCO2)cc1O
46096 CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=O)[nH]c1=O
46097 CCOC(=O)c1ccccc1NC(=O)c1c(O)[nH]c(=S)[nH]c1=O
46098 CCOC(=O)c1ccc(NS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
46099 CCOC(=O)c1cccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)c1
46100 Oc1[nH]c(=O)[nH]c(=O)c1C(=O)Nc1ccccc1
46101 CCOc1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
46102 CCCCOC(=O)c1ccc(NC(=O)c2c(O)[nH]c(=O)[nH]c2=O)cc1
46103 CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
46104 CCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
46105 CCOC(=O)c1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1
46106 Oc1[nH]c(=S)[nH]c(=O)c1C(=O)Nc1ccccc1
46107 Nc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccccc1
46108 CCOC(=O)c1cccc(NC(=O)c2c(NCc3ccccc3)[nH]c(=O)[nH]c2=O)c1
46109 COc1ccccc1NS(=O)(=O)c1c(N)[nH]c(=O)[nH]c1=O
46110 CCOc1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
46111 CCCCOC(=O)c1ccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)cc1
46112 CCOC(=O)c1ccccc1NC(=O)c1c(N)n(C)c(=O)[nH]c1=O
46113 Cn1c(N)c(C(=O)Nc2ccccc2)c(=O)[nH]c1=O
46114 CCOC(=O)c1cccc(NC(=O)c2c(N)n(C)c(=O)[nH]c2=O)c1
46115 CCOC(=O)c1ccc(NC(=O)c2c(NCc3ccccc3)[nH]c(=O)[nH]c2=O)cc1
46116 Cn1c(N)c(c(=O)n(C)c1=O)S(=O)(=O)NCc1ccccc1
46117 CCOC(=O)CCCCCNC(=O)C1C(=O)NC(=O)NC1=O
46118 [#6]-c1cccc(-[#7]-[#7]\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c1
46119 [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccncc1)=[#6]-1/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-1=O
46120 CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1
46121 Fc1ccc(C(=O)Nc2ccccc2)c(F)c1
46122 Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1
46123 CCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F
46124 CCOc1ccc(NC(=O)c2ccc(F)cc2F)cc1
46125 CCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F
46126 CCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1
46127 CCCCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1
46128 OC(=O)CCCC#C
46129 Cn1c(SCC(O)=O)nc2sc3CCCc3c2c1=O
46130 Cc1ccc(C)c2C3C=CCC3C(Nc12)C(O)=O |c:8|
46131 Cc1cc(I)cc2C3C=CCC3C(Nc12)C(O)=O |c:8|
46132 Brc1cccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)c1
46133 Clc1ccccc1\C=c1/sc2nc3cc(Br)cnc3n2c1=O
46134 CCn1c(SCC(O)=O)nc2sc3CCCCc3c2c1=O
46135 CCOc1cc2C3C=CCC3C(Nc2c(c1)[N+]([O-])=O)C(O)=O |c:7|
46136 Cc1cc2ccccn2c1C(=O)C(O)=O
46137 Clc1cc(Cl)cc(c1)-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
46138 OC(=O)C1Nc2cc(ccc2S(=O)(=O)N1)C(F)(F)F
46139 Clc1cccc(Cl)c1COc1nnc(-c2cccs2)c(n1)-c1cccs1
46140 CCCCCCCCC#CC#CCCCC(O)=O
46141 O=C1CC(=O)N(Cc2ccco2)C(=O)N1
46142 CCCCCCCCCCCCCCCCCCC#C
46143 CCCCCCCCCCCCCCCCCCC#CCCCCCCCC(O)=O
46144 CCCCCCCCCCCCCCCCCCC#CCCCCCCCCCCC(O)=O
46145 CCCCCCCCCCCCCCCCCCC#CCCCCCCCCCCCC(O)=O
46146 CCCCCCCCCCCCCCCCCCC=CCCCCCC(O)=O
46147 Cn1c(=O)n(CC(N)=O)c(=O)n(-c2ccccc2)c1=O
46148 Cn1c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c(=O)n(-c2ccccc2)c1=O
46149 CCn1c(=O)n(C)c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c1=O
46150 Cn1c(=O)n([C@@H](Cc2ccccc2)C(N)=O)c(=O)n(-c2ccc(Cl)cc2)c1=O
46151 NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O
46152 C[C@@H](C(N)=O)n1c(=O)n(Cc2ccccc2)c(=O)n(-c2ccccc2)c1=O
46153 C[C@@H](C(N)=O)n1c(=O)n(Cc2ccccc2C)c(=O)n(-c2ccccc2)c1=O
46154 CC(C)[C@@H](C(O)=O)n1c(=O)n(Cc2ccccc2C)c(=O)n(-c2ccccc2)c1=O
46155 NC(=O)[C@H](Cc1ccccc1)n1c(=O)n(Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)c1=O
46156 CC(C)[C@@H](C(N)=O)n1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O
46157 CC(C)[C@@H](C(N)=O)n1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1=O
46158 CCn1c(=O)n(CC)c(=O)n([C@@H](Cc2ccccc2)C(O)=O)c1=O
46159 CCn1c(=O)n(Cc2ccccc2C)c(=O)n([C@@H](Cc2ccccc2)C(O)=O)c1=O
46160 CCn1c(=O)n(Cc2ccc(cc2)N(O)O)c(=O)n([C@@H](Cc2ccccc2)C(O)=O)c1=O
46161 CCCCCCn1c(=O)nc(NCc2ccccc2OC)[nH]c1=O
46162 CCCn1c(=O)nc(NCc2ccc(C)cc2)[nH]c1=O
46163 COc1ccc(cc1)-n1c(=O)nc(NCCc2cccc(Cl)c2)[nH]c1=O
46164 COCCCNc1nc(=O)n(-c2ccc(F)cc2)c(=O)[nH]1
46165 CCCn1c(=O)nc(NCCc2ccccc2)[nH]c1=O
46166 CCCn1c(=O)nc(NCc2ccccc2OC)[nH]c1=O
46167 O=c1nc(NCCc2ccccc2)[nH]c(=O)n1-c1ccccc1
46168 CC(C)CNc1nc(=O)n(-c2ccc(F)cc2)c(=O)[nH]1
46169 COCCCNc1nc(=O)n(-c2ccc(C)cc2)c(=O)[nH]1
46170 CCOC(=O)C1Nc2c(O)cc(C)cc2C2C=CCC12 |c:17|
46171 CCOC(=O)C1Nc2c(O)cccc2C2C=CCC12 |c:16|
46172 CCOC(=O)C1Nc2c(O)ccc(C)c2C2C=CCC12 |c:17|
46173 CCOC(=O)C1Nc2c(OC)cccc2C2OCCC12
46174 CCOC(=O)C1Nc2c(OC)cccc2C2OCCCC12
46175 Cc1cc(O)c2NC(C3CC=CC3c2c1)C(O)=O |c:10|
46176 Cc1cc(NC(=O)CCc2ccc(C)o2)no1
46177 O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46178 Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
46179 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCSCC1
46180 CC1CCN(CC1)C(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46181 O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 |t:5|
46182 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1
46183 COc1cccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
46184 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCOCC1
46185 [H]C12CC(C)(CN1C(=O)Nc1ccc3nc(-c4ccco4)c(nc3c1)-c1ccco1)CC(C)(C)C2 |TLB:7:6:2:31.30.34|
46186 O=C(NCc1ccc2OCOc2c1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46187 CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
46188 CNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46189 COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46190 OCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46191 Clc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
46192 O=C(NCCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46193 CCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46194 O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)Nc1cccc2ccccc12
46195 O=C(Nc1ccccc1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46196 COc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)cc1
46197 O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46198 O=C(NC1CCCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46199 O=C(NC1CCCCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46200 CCCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46201 O=C(NCc1ccco1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46202 CCOC(=O)CCNC(=O)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
46203 Clc1cccc(Cl)c1NC(=S)NCCc1ccccc1
46204 COc1cc(ccc1O)C(=S)N1CCC(C)CC1
46205 S=C(N1CCOCC1)c1cn(CCOc2ccccc2)c2ccccc12
46206 S=C(N1CCCC1)c1cn(CCOc2ccccc2)c2ccccc12
46207 OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
46208 CCOc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(C)CC1
46209 NS(=O)(=O)c1ccc(NC(=S)NC2CC2)cc1
46210 NS(=O)(=O)c1ccc(NC(=S)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
46211 NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
46212 COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(O)=O
46213 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
46214 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
46215 CC(C)OC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
46216 Fc1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc23)cc1
46217 CC(C)(Oc1ccc2sc3ccccc3c2c1)C(O)=O
46218 CSc1ccc(OCC(O)=O)cc1C
46219 Cc1cc(OCC(O)=O)ccc1S(C)=O
46220 Cc1cc(OCC(O)=O)ccc1S(C)(=O)=O
46221 [O-][N+](=O)c1ccc(OC(=O)COc2c(Cl)cccc2Cl)cc1
46222 COc1ccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)C)cc1Cl
46223 COc1cc(ccc1O)C(=S)N1CCCCC1
46224 CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(Br)c(OCC(O)=O)c(OC)c2)cc1 |w:13.14,t:7|
46225 CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1ccccc1O
46226 CCOC(=O)c1sc2nc3c(SCCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(OC)ccc1O
46227 OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O
46228 OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O
46229 NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
46230 CN(C)S(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
46231 NS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
46232 CNS(=O)(=O)c1cccc(c1)C(=O)NC1CCSc2ccccc12
46233 CCN1CCN(CC1)C(=S)c1ccc(O)c(OC)c1
46234 COc1cc(ccc1O)C(=S)N1CCCC1
46235 OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Br)cc1
46236 Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(O)=O |c:21|
46237 COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1OC
46238 OC(=O)c1cccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2Cl)c1
46239 OC(=O)c1ccc(COc2ccc(\C=C(\C#N)c3cccc(F)c3)cc2)cc1
46240 OC(=O)c1ccc(cc1)C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)\C#N
46241 COC(=O)c1ccc(COc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)cc1
46242 COc1cc(\C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(cc1)C(O)=O
46243 CCOc1cc(\C=C(\C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(cc1)C(O)=O
46244 OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)\C#N)c1
46245 Cc1c(sc2nc(C=Cc3ccc(C)c(c3)[N+]([O-])=O)[nH]c(=O)c12)C(O)=O |w:7.6|
46246 OC(=O)CCCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
46247 OC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
46248 COc1cc(ccc1O)C(=S)NC(C)(C)C
46249 COc1cc(ccc1O)C(=S)NC1CCCCC1
46250 CCC(CC)NC(=S)c1ccc(O)c(OC)c1
46251 CCN(CC)C(=S)c1ccc(O)c(OC)c1
46252 COc1cc(ccc1O)C(=S)NCc1ccccc1
46253 COc1cc(ccc1O)C(=S)NC1CCCC1
46254 S=C(N1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12
46255 S=C(NC1CCCCC1)c1cn(CCOc2ccccc2)c2ccccc12
46256 S=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12
46257 O=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12
46258 CN(C)C(=O)c1cn(CCOc2ccccc2)c2ccccc12
46259 CNC(=O)c1cn(CCOc2ccccc2)c2ccccc12
46260 CCN(CC)C(=O)c1cn(CCOc2ccccc2)c2ccccc12
46261 CC(C)NC(=S)c1cn(CCOc2ccccc2)c2ccccc12
46262 NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCCc2ccccc12
46263 CCOc1ccc2nc(NC(=O)CSc3cc(O)c4c(C)c(C)sc4n3)sc2c1
46264 Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
46265 O=C(CSc1nc(nc2sc3CCCCc3c12)C1CC1)NCc1ccc2OCOc2c1
46266 CCOC(=O)C1=C(C)N=c2s\c(=C\c3cc(Cl)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
46267 COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(Cl)c1OCC(O)=O
46268 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(cc3)C(O)=O)C2=O)cc1
46269 COc1cc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)ccc1OCC(O)=O |w:5.4,c:17|
46270 CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)c(Cl)c2)cc1 |w:13.14,t:7|
46271 CCOC(=O)COc1c(Cl)cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1OCC |w:12.11,c:24|
46272 CCOc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(I)c1OCC(O)=O |w:6.5,c:17|
46273 CCOc1cc(C=C2SC(Nc3ccc4ccccc4c3)=NC2=O)cc(Cl)c1OCC(O)=O |w:6.5,c:22|
46274 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)C2=O)cc1
46275 CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)OC
46276 CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(Cl)c(OCC(O)=O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
46277 NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1cccc(Cl)c1
46278 NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccc2CCCc2c1
46279 OC(=O)c1ccc(C=c2sc(=CC(=O)c3ccco3)[nH]c2=O)cc1
46280 CCc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(OCC(O)=O)cc2)cc1 |w:13.14,t:7|
46281 COC(=O)COc1ccc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)cc1 |w:10.9,c:22|
46282 COc1cc(ccc1O)C(=S)NCc1ccc(C)cc1C
46283 COc1cc(ccc1O)C(=S)NCc1ccc(F)c(C)c1
46284 COc1cc(ccc1O)C(=S)NCc1ccc(Cl)c(C)c1
46285 COc1cc(ccc1O)C(=S)NCc1ccc(O)cc1
46286 COc1cc(ccc1O)C(=S)NCc1ccc(F)c(c1)C(F)(F)F
46287 CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccccc1)c1ccccc1 |c:19|
46288 Nc1ncnc2n(cnc12)C1CCC(CO)C(O)C1
46289 Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1
46290 CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12
46291 OC1=C\C(C=CC1=O)=C1/Nc2ccc3ccccc3c2C2=C1CCC2 |c:4,23,t:1|
46292 Nc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
46293 CCc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1
46294 COC(=O)c1sc2nc[nH]c(=O)c2c1C
46295 Cc1nc2ncccn2c1-c1csc(Nc2ccc(C)cc2)n1
46296 COc1ccccc1Nc1nc(cs1)-c1c(C)nc2ncccn12
46297 OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
46298 Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
46299 O=c1c2c(-c3ccccc3CC22CCCC2)n2nnnc2n1Cc1ccccc1
46300 O=C(COc1ccccc1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
46301 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccn1 |t:11|
46302 O=C1NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCCCCC23)C(=O)N1Cc1ccccc1
46303 COc1ccccc1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)c1ccc(C)cc1
46304 Cc1cc(C)cc(NS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c1
46305 Clc1ccc2c(ccnc2c1)N=NCc1ccc(Br)cc1 |w:11.12|
46306 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)NCCCN1CCN(CCCNC(=O)c2cc(ccc2Cl)[N+]([O-])=O)CC1
46307 Nc1ccc(cc1)N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1
46308 OCCN(N=Cc1ccccc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
46309 CN(N=Cc1ccc(C)o1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
46310 COc1ccccc1-n1c(c[nH]c1=S)-c1ccc(Cl)cc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;14.19,-.26,;12.4,1.72,;10.94,2.2,)|
46311 Cc1ccc(CNc2ccc3OCOc3c2)c(C)c1
46312 COc1cc2nc(=S)[nH]c(NCCCOC(C)C)c2cc1OC
46313 O=C(\C=C\c1ccc(o1)-c1ccccc1)c1ccccc1
46314 CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccc(OC)cc21)c1ccc(F)cc1
46315 COc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)o1
46316 O=C(Nc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccco1
46317 Cc1sc2nc3ccc(NCc4ccco4)nn3c(=O)c2c1C
46318 COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC |w:6.6|
46319 OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O
46320 COc1ccc(cc1OC)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1 |w:14.15|
46321 Cc1cc(C)cc(c1)N=Cc1[nH]c2ccc(Br)c(Cl)c2c1O |w:8.8|
46322 COc1cc(CN=Nc2nnc3c(n2)[nH]c2ccccc32)ccc1O |w:7.7|
46323 NC(=S)NNC1=c2cc(F)ccc2=NC1=O |c:5,13|
46324 [O-][N+](=O)c1cc([nH]n1)C(=O)NC1CCCCC1
46325 CC(C)Oc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:9.9|
46326 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O |w:11.11|
46327 O=C1\C(Sc2ccccc12)=C/c1cccnc1
46328 CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1
46329 Cn1c2cccc3c(C=O)ccc(n(C)c1=O)c23
46330 [O-][N+](=O)c1ccc2c(OCC(=O)NCCc3ccc(Cl)cc3)ncnc2c1
46331 Clc1ccc(CNC(=S)NNC(=O)c2ccc(Br)o2)cc1
46332 CCOC(=O)c1nc(Nc2ccc(cc2)C(C)=O)c2ccccc2n1
46333 Cc1cccc(c1)-n1nc(CC#N)c(C#N)c1N
46334 OC(=O)c1ccc(COc2ccccc2Cl)o1
46335 OC(=O)c1ccccc1NCc1ccccc1Cl
46336 COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1
46337 Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1
46338 O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1
46339 Nc1c(nsc1C(=O)OCC(=O)NC1CCCCC1)C(=O)NC1CCCCC1
46340 COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1
46341 CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1
46342 COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
46343 O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
46344 COc1cccc(c1)-c1cc(no1)C(=O)Nc1cccc(O)c1
46345 Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1
46346 O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1
46347 CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O
46348 Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCN(CC1)C(=O)c1ccco1
46349 CCCCOc1ccc(cc1)C(=O)Nc1ccncc1
46350 CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
46351 CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc23)c(C)c1
46352 O=C(NC1CC1)c1cc2COc3ccccc3-c2s1
46353 COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
46354 Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br
46355 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|
46356 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:45|
46357 [H]C12C3C(c4nc5ccccc5n4C3=O)C([H])(c3ccccc13)c1ccccc21 |TLB:4:3:23.28:17.22,24:23:3.2:17.22,18:17:3.2:23.28,THB:21:22:3.2:23.28,27:28:3.2:17.22,13:2:23.28:17.22,(11.64,.48,;11.63,1.41,;7.91,-.24,;8.66,-1.54,;7.66,-2.64,;7.5,-4.11,;6.05,-4.41,;5.3,-5.76,;3.76,-5.77,;2.99,-4.44,;3.77,-3.11,;5.31,-3.13,;6.3,-2.03,;6.45,-.55,;5.34,.45,;11.25,-.04,;11.31,-.97,;13.99,-1.18,;15.07,-2.29,;16.58,-1.9,;16.98,-.4,;15.87,.7,;14.37,.27,;9.78,2.67,;8.42,3.43,;8.41,4.99,;9.76,5.77,;11.1,4.98,;11.08,3.42,)|
46358 CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12
46359 O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1c2CCCc2nc2ncnn12
46360 COc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:11.12,t:14|
46361 O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1
46362 Cc1ccccc1OCCCCn1cnc2ccccc12
46363 Oc1cccc(NC(=O)c2noc-3c2CCc2ccccc-32)c1
46364 CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C
46365 CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccc(C)cc1
46366 COc1ccc(cc1NC(=O)COc1ccc(C)cc1)-c1nn(C)c(=O)c2ccccc12
46367 CSc1ccc(NC(=O)N2CCN(CC2)c2nc3ccccc3s2)cc1
46368 Cc1cccc(C)c1NC(=O)N1CCN(CC1)c1nc2ccccc2s1
46369 COc1ccc(cc1OC)C(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
46370 Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br
46371 Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc12
46372 [H][C@]12C(C(=O)n3c1nc1ccccc31)C1([H])c3ccccc3C2([H])c2ccccc12 |wU:1.0,TLB:3:2:21.16:24.29,20:21:1.2:24.29,25:24:1.2:21.16,THB:28:29:1.2:21.16,17:16:1.2:24.29,6:1:21.16:24.29,(9.29,-2.64,;8.66,-1.54,;7.91,-.24,;6.45,-.55,;5.34,.45,;6.3,-2.03,;7.66,-2.64,;7.5,-4.11,;6.05,-4.41,;5.3,-5.76,;3.76,-5.77,;2.99,-4.44,;3.77,-3.11,;5.31,-3.13,;11.63,1.41,;11.64,.48,;11.08,3.42,;11.1,4.98,;9.76,5.77,;8.41,4.99,;8.42,3.43,;9.78,2.67,;11.25,-.04,;11.31,-.97,;13.99,-1.18,;15.07,-2.29,;16.58,-1.9,;16.98,-.4,;15.87,.7,;14.37,.27,)|
46373 Cc1ccc(c(C)c1)-n1nnnc1SCn1nnc2ccccc2c1=O
46374 COC(=O)c1nn(cc1O)-c1ccc2N(CCc2c1)C(C)=O
46375 Cc1csc(NC(=O)c2cc3CCCCc3s2)n1
46376 O=C(CSc1ccc2ccccc2c1)Nc1ccncc1
46377 COC(=O)Oc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OC |w:10.10|
46378 Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1
46379 NNC(=O)c1cccc(COc2ccccc2Br)c1
46380 Oc1c2CCCCc2c(O)n1-c1ccccc1OC(=O)c1ccccc1 |(7.68,5.35,;7.2,3.89,;5.75,3.42,;4.41,4.19,;3.08,3.42,;3.08,1.88,;4.41,1.11,;5.75,1.88,;7.2,1.41,;7.68,-.05,;8.1,2.65,;9.64,2.65,;10.41,3.98,;11.95,3.98,;12.72,2.65,;11.95,1.32,;10.41,1.32,;9.64,-.02,;10.41,-1.35,;11.95,-1.35,;9.64,-2.69,;10.41,-4.02,;9.64,-5.35,;8.1,-5.35,;7.33,-4.02,;8.1,-2.69,)|
46381 CC1CCc2c(O)n(c(O)c2C1)-c1ccccc1OC(=O)c1ccccc1 |(3.08,4.19,;4.41,3.42,;4.41,1.88,;5.75,1.11,;7.08,1.88,;8.54,1.41,;9.02,-.05,;9.44,2.65,;8.54,3.89,;9.02,5.35,;7.08,3.42,;5.75,4.19,;10.98,2.65,;11.75,3.98,;13.29,3.98,;14.06,2.65,;13.29,1.32,;11.75,1.32,;10.98,-.02,;11.75,-1.35,;13.29,-1.35,;10.98,-2.69,;9.44,-2.69,;8.67,-4.02,;9.44,-5.35,;10.98,-5.35,;11.75,-4.02,)|
46382 Nc1cc(nn1Cc1ccc(Cl)cc1)-c1ccccc1
46383 Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1
46384 CCOc1cc(ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=S)N1CCOCC1
46385 Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1
46386 Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1
46387 Clc1ccc(OCc2cc(no2)-c2ccccc2)c(Cl)c1
46388 Cc1nc2ccccc2cc1OCc1ccc(F)cc1
46389 CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)cc1
46390 Cc1nc2ccccc2cc1OCc1ccccc1
46391 Clc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1
46392 CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1
46393 Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc2c1
46394 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)N(C)S(C)(=O)=O)cc2)cc1
46395 Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3OCCOc3c2)c(O)c1
46396 Oc1cccc(NC(=O)C(=O)Nc2ccccn2)c1
46397 COc1ccc2cc(ccc2c1)-c1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1
46398 Cc1cccc(c1)-c1nc2cc(NC(=O)C3CCCO3)ccc2o1
46399 Clc1ccc(cn1)C(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccccc1Cl
46400 COc1ccc(C=NNC(=S)Nc2ccccc2[N+]([O-])=O)cc1O |w:7.7|
46401 CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1 |w:9.9|
46402 COc1cc(OC)cc(c1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1
46403 CC(C)Cn1c(N)c(C(=O)CSc2ccccc2)c(=O)n(C)c1=O
46404 CNc1ccccc1C(C)(C)c1cc(no1)-c1ccc(F)cc1
46405 CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
46406 CNC(=O)Oc1cccc(c1)-c1cn2cc(Cl)ccc2n1
46407 Cc1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O
46408 O=C(Nc1ccncc1)c1ccc(cc1)-c1ccccc1
46409 CCC1N(Cc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)CCNC1=O
46410 CCCCCCCc1ccc(nc1)-c1ccc(O)cc1
46411 Brc1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cc2ccncc2)cc1
46412 O=C(COc1ccc2ccccc2c1)Nc1ccncc1
46413 Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1
46414 CCC(C)NC(=S)Nc1ccc(cc1)C(=O)OC
46415 CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC
46416 CC[n+]1ccccc1\C=C\c1ccc(cc1)N(C)C
46417 Cc1ccc(c(C)c1)-n1ncc2c(SCc3cccnc3)ncnc12
46418 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCOCC1
46419 CC(=O)Nc1ccc(cc1)-c1csc(Nc2ccc(Cl)cn2)n1
46420 Cc1nn2cc(cnc2c1Br)-c1ncc(cc1Cl)C(F)(F)F
46421 Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1
46422 COc1ccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)cc1 |w:7.7|
46423 C(C1CCN(CC1)c1ncnc2sccc12)c1ccccc1
46424 CN1C(=CC(=O)C[n+]2ccc3ccccc3c2)C(C)(C)c2ccccc12 |w:3.3|
46425 CC(=O)c1ccc(cc1)N=Nc1ccc(C)cc1 |w:9.9|
46426 CN1C(=CC(=O)C[n+]2ccc(cc2)C(=O)c2ccccc2)C(C)(C)c2ccccc12 |w:3.3|
46427 COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC
46428 NC(=O)C1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
46429 CCCCCCCCCCSc1nnc(NC(C)=O)[nH]1
46430 COCCNC(=O)NC1(Oc2cc(Cl)c(Cl)cc2O1)C(F)(F)F
46431 FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2cc(Cl)c(Cl)cc2O1
46432 NC1(Oc2cc(Cl)c(Cl)cc2O1)C(Cl)(Cl)Cl
46433 [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
46434 O=C1N(Cc2ccccc2)c2ccccc2C11NNc2ccccc2O1
46435 CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
46436 Cc1cc(OCC(=O)Nc2nnc[nH]2)ccc1Cl
46437 CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1ccccc1 |c:19|
46438 CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccccc1)c1cccnc1 |c:19|
46439 COc1cc(ccc1O)C(C#N)N1CCOCC1
46440 CN(C)CCNc1[nH]c(=O)nnc1C
46441 CC(=O)c1cc2OCOc2cc1N
46442 CC1CC(C)c2ccc(C)c(C)c2N1
46443 [H][C@]12O[C@@]3(CN(CCCOC)C(=O)[C@]3([H])C1C(=O)OCCCC)C=C2 |c:25|
46444 COc1ccc(cc1)C(=O)NCC(=O)OC1CCCCC1=O
46445 CC(C)(C)NS(=O)(=O)c1cccc2nsnc12
46446 CCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
46447 OC(=O)c1ccc(CS(=O)c2cccc(c2)C(F)(F)F)o1
46448 Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c(=O)[nH]2)cc1
46449 CC(C)Cc1cc(no1)C(=O)NCc1cccs1
46450 Cc1csc2nc(CNC(=O)CCC(O)=O)cn12
46451 C\N=C1\SC(CC(=O)Nc2ccccc2F)C(=O)N1C
46452 Cn1c2nc(nc(SCc3ccccc3)c2c(=O)n(C)c1=O)-c1ccco1
46453 Cc1cc(C)n(n1)C(=O)c1ccc2OCOc2c1
46454 COC(=O)Cc1n[nH]c(=O)c2ccccc12
46455 CCOc1cc(cc(Br)c1OC)C(N)=O
46456 COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)cs2)n1
46457 CC(C)(C)C(=O)C(=C\c1cccc(c1)[N+]([O-])=O)\n1cncn1
46458 CCCc1nc2ccccc2c(=O)n1N
46459 Cc1nnc(SCC(=O)NC2CCCC2)s1
46460 Cc1cc(C)c(N=C2NS(=O)(=O)c3ccccc23)c(C)c1 |w:6.5|
46461 Cc1ccccc1NC(=O)NCCCN1CCCC1
46462 CN1CCOCCOCCN(C)C(=O)N2CCOCCOCCN(CCOCC2)C1=O
46463 COCCNC(=O)c1c[nH]n2c1nc(cc2=O)C1CCN(CC1)C(=O)OC(C)(C)C
46464 CCOC(=O)c1c(C)oc2ccc(O)cc12
46465 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1nc(C)c(s1)C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
46466 COC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)OC)cc1
46467 CC(C)C(=O)Nc1ccc2n(C)c(CCN3CCN(C)CC3)nc2c1
46468 OC(=O)c1cccc(c1)S(=O)(=O)N(CC=C)c1ccccc1
46469 FC(F)(F)c1cccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)c1
46470 [O-][N+](=O)c1ncn(CC(=O)N\[NH+]=C\[c-]2ccccc2=O)n1
46471 O=C(NN=Cc1ccncc1)c1ccccc1 |w:3.2|
46472 CC(C)n1nnnc1-c1cc(Cl)cc(Cl)c1
46473 O=C(NNc1nc2ccccc2s1)C1CC1
46474 COc1ccc(\C=C\C(=O)N[C@@H](C)C(O)=O)cc1
46475 Cc1ccc2cc(CN=Nc3nc4ccccc4[nH]3)c(Cl)nc2c1 |w:9.9|
46476 CCOc1cc(ccc1O)C1NC(=S)N=C(C)C1C(=O)Nc1ccc(OC)cc1 |t:15|
46477 COc1ccc(cc1OC)C(=O)Cc1ccccc1
46478 O=C(NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2ccccc2c1)C1CC1
46479 Cc1ccc(C)c(OCC(=O)Nc2cc(cc(c2)C(O)=O)C(O)=O)c1
46480 OC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12
46481 O=C(CN1C(=O)COc2ccc(cc12)S(=O)(=O)N1CCOCC1)NCc1ccccn1
46482 CCc1cccc(C)c1NC(=O)Nc1ccc2OCOc2c1
46483 Fc1ccc(NC(=O)NCC=C)c(F)c1
46484 CCC(C(=O)Nc1cccc(C(O)=O)c1C)c1ccccc1
46485 COc1ccccc1NC(=O)CSc1nnc(CCC(=O)Nc2ccccc2F)n1C
46486 Cc1cc(C)c(NC(=O)NC(=O)C(Cl)(Cl)Cl)c(C)c1
46487 Clc1ccc(-c2ccc(C=O)[nH]2)c(Cl)c1
46488 CC(C)Cn1c(nc2ccccc12)S(O)(=O)=O
46489 OC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1
46490 COc1ccc(Nc2nnc(C)c(=O)[nH]2)c(OC)c1
46491 CC(C)N(C(C)C)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
46492 CN1CCN(CCNC(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1
46493 Clc1cccc(c1)N1C(=O)c2ccncc2C1=O
46494 Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccccc1F |c:11,17,(7.82,-3.33,;8.44,-1.92,;9.95,-1.6,;10.11,-.07,;11.45,.7,;12.78,-.07,;14.11,.7,;14.11,2.24,;15.45,-.07,;15.45,-1.61,;16.9,-2.08,;17.8,-.84,;16.9,.4,;17.38,1.86,;17.86,3.33,;18.85,1.39,;15.92,2.34,;14.11,-2.38,;12.78,-1.61,;11.45,-2.38,;8.71,.56,;8.39,2.06,;7.67,-.59,;6.14,-.43,;5.52,.98,;3.99,1.14,;3.08,-.1,;3.71,-1.51,;5.24,-1.67,;5.86,-3.08,)|
46495 Cc1ccc(cc1)-c1cc(N)n(n1)-c1ccc(F)cc1
46496 Oc1cccc2ccc(CN=O)nc12
46497 Cn1cc(c(n1)C(=O)NCc1ccco1)[N+]([O-])=O
46498 Cc1c[nH]c(=O)c(c1)[N+]([O-])=O
46499 NC(=S)NN=Cc1ccc(C=NNC(N)=S)cc1 |w:4.3,11.11|
46500 COc1cc(cc2sc(NC(=O)C(C)(C)C)nc12)[N+]([O-])=O
46501 CCN1CC(=O)Nc2cc(ccc12)S(=O)(=O)N1CCOCC1
46502 Cc1nsc(N)c1C(O)=O
46503 COc1ccc2c3ccc(O)cc3oc(=O)c2c1
46504 COc1ccc2nc(NC(=O)CSc3nnc(C)n3N)sc2c1
46505 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1sccc1C#N
46506 OC(=O)c1ccccc1C=NNC(=O)CCCC(=O)NN=Cc1ccccc1C(O)=O |w:10.11,20.20|
46507 [O-][N+](=O)c1ccc(cc1)C1NS(=O)(=O)[N-]C2=[N+]1CCCCC2 |c:16|
46508 NC1=N\C(=N/c2cccc(c2)S(N)(=O)=O)c2ccccc12 |t:1|
46509 CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC#N)CC1
46510 C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2c1ccccc1
46511 COc1ccc(cc1)\N=N\c1n(C)c2ccccc2[n+]1C
46512 CCCCc1c(C)nc2c(OC)cccc2c1SCC(O)=O
46513 CC(NS(=O)(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1
46514 CCCOC(=O)CCCN1C(=S)S\C(C1=O)=C1\SC(=S)N(CCCC(=O)OCCC)C1=O
46515 Oc1ccc(C=NNC(=O)CNC(=O)CCc2ccccc2)c(O)c1 |w:6.6|
46516 CC(=NN=C1SCC(=O)N1c1ccccc1)c1ccc(C)cc1 |w:3.2,1.17|
46517 COC(=O)C(NC(C)=O)(Nc1ccc(C)cn1)C(F)(F)F
46518 Fc1ccccc1C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1
46520 COC(=O)Cc1ccc(NC(=S)NNC(=O)C2CC2)cc1
46521 Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccco2)c1 |w:7.7|
46522 COCCOC(=O)C(CC(O)=O)NCc1ccco1
46523 CCCn1cnc2c1nc(N)[nH]c2=S
46524 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1CO
46525 OC(=O)Cn1cnc2c1nc[nH]c2=S
46526 Cc1ccnc(NS(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)c1
46527 CCc1ccc(cc1)-n1c(SCC(=O)N2Cc3ccccc3CC2C(O)=O)nnc1-c1ccncc1
46528 NC(=N[N-][CH+]c1ccc(cc1)[N+]([O-])=O)c1nonc1N |w:2.2|
46529 CCSc1nnc(NC(=O)c2cc(n[nH]2)-c2ccccc2O)s1
46530 O=c1cnnc(N=NCc2cccs2)[nH]1 |w:6.5|
46531 Cc1nc(cn1CCC#N)[N+]([O-])=O
46532 Fc1ccccc1NNC(=O)c1ccccc1
46533 CC(=O)c1ccc(NN=C2CCCNC2=O)cc1 |w:8.7|
46534 CC(C)C(=O)NNc1ccc(cn1)C(F)(F)F
46535 Cc1ccccc1CON=Cc1[nH]ncc1Br |w:9.9|
46536 Cc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1
46537 Cc1cscc1NC(=O)\C=C\C(O)=O
46538 Cn1nccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
46539 Cn1[nH]c(cc1=O)C(C)(C)C
46540 Fc1ccc(NC(=O)Cc2ncon2)c(F)c1F
46541 CCOC(=O)c1c(C)noc1-c1ccc(Br)o1
46542 Cn1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(n1)C(F)(F)F
46543 CC(C)(C)c1ccc(cc1)C(=O)Oc1ccccc1CCC(O)=O
46544 Cn1nc(c(c1NC(=O)CCC(O)=O)-c1ccccc1)C(F)(F)F
46545 Cc1csc2c1nc(NC(=O)c1ccc(F)cc1)sc2=O
46546 CC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1
46547 Cc1c(O)n2c(nc1=O)sc1ccccc21
46548 OCCNc1ccc(c(NCCO)c1C#N)[N+]([O-])=O
46549 Cl.CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
46550 [H]C12CC(C(O)=O)C([H])(C3Cc4cccc(OC)c4C(CO)N3C1C#N)N2C |TLB:4:3:26:22.9.23,10:9:26:3.2,THB:24:23:26:3.2|
46551 CC(C)(C)N1CCC1CN
46552 COc1ccccc1C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(C)cc1
46553 Cc1cc(Nc2ccccc2)nc(n1)-c1ccccc1O
46554 Cc1ccc(SCC(=O)C(C#N)c2nc3ccccc3s2)cc1
46555 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(2.16,17.15,;3.49,16.38,;4.83,17.15,;3.49,14.84,;2.16,14.07,;.83,14.84,;2.16,12.53,;.83,11.76,;3.49,11.76,;3.49,10.22,;2.16,9.45,;4.83,12.53,;6.2,11.71,;6.19,10.17,;7.6,12.5,;7.6,14.1,;8.93,14.88,;6.2,14.9,;4.83,14.07,;8.93,11.72,;8.93,10.12,;7.6,9.35,;10.33,9.33,;11.7,10.15,;13.04,9.38,;13.04,7.84,;14.37,7.07,;11.7,7.07,;14.37,10.15,;15.7,9.38,;14.37,11.69,;15.7,12.46,;13.04,12.46,;13.04,14,;14.37,14.77,;11.7,11.69,;10.33,12.52,;10.34,14.06,)|
46556 Cc1n[o+]n([O-])c1COc1ccccc1\C=C1/NC(=S)NC1=O
46557 CCn1nc(c(C(C#N)c2nc3cc(ccc3s2)C(F)(F)F)c(Cl)c1=O)[N+]([O-])=O
46558 Oc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)c(O)c1
46559 COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1C
46560 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|
46561 COc1ccc(CN=Nc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 |w:8.8|
46562 SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|
46563 Clc1ccc(cc1)S(=O)(=O)Nc1cc2nc3ccccc3nc2n1Cc1ccccc1
46564 COc1ccc2ccccc2c1C=NNC(=O)c1sc(N)c(C#N)c1C |w:13.15|
46565 Cc1ccc2[nH]cc(C(=O)CCl)c2c1
46566 CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
46567 ClCC(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
46568 Oc1ccc(Cl)cc1C=C(Cl)c1nc2cc(Cl)ccc2c(=O)[nH]1 |w:9.10|
46569 Fc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)cc1
46570 Cc1ccc(C)c(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1
46571 OC(=O)c1ccc(NS(=O)(=O)c2ccc3NC(C4CC=CC4c3c2)c2ccccc2F)cc1 |c:19|
46572 N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|
46573 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1c[nH]c2ccccc12
46574 Cc1[nH]c2ccccc2c1C(=O)CCl
46575 Cn1cc(C(=O)CCl)c2ccccc12
46576 On1[o+]nc-2c1CCc1nc([n-]c-21)-c1ccccc1
46577 CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:13|
46578 CC(C)CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccccc34)c(N)n12 |c:18|
46579 ClCC(=O)c1c[nH]c(CN=Nc2ccccc2Cl)c1 |w:10.10|
46580 [#8]-[#6](=O)-c1cccc(-[#7]\[#7]=[#6]-2\c3ccccc3-c3ccccc-23)c1
46581 OC(=O)CSc1cc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2c1O
46582 Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
46583 CC(C)c1nc2sc3c([nH]cnc3=S)c2c2CCCc12
46584 C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1
46585 Fc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1
46586 CC(=O)Oc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(=S)NC1=O |c:17|
46587 Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
46588 ClCc1cc(=O)n2c(n1)[nH]c1ccccc21
46589 Nc1nc(SCC(O)=O)cc2c(C#N)c(nc(N)c12)N1CCCCC1
46590 NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc([O-])c(O)c2O)c(c1)[N+]([O-])=O |w:8.7|
46591 Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1 |w:7.7|
46592 Cc1csc2c1nc(NC(=O)c1ccccc1C)sc2=O
46593 OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
46594 CCOc1ccc(cc1)-c1n[nH]c(=S)[nH]1
46595 CCOC(=O)c1ccc(NC2Nc3cc(C)nn3S2)cc1
46596 Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
46597 Cc1cc2NC(Nc3ccc(C)cc3C)Sn2n1
46598 CCc1ccccc1NC1Nc2cc(C)nn2S1
46599 Sc1nnc(o1)C1COc2ccccc2O1
46600 CCc1ccc(NC2Nc3cc(C)nn3S2)cc1
46601 Cc1cc2NC(Nc3ccc(F)c(Cl)c3)Sn2n1
46602 Cc1cc2NC(Nc3cccc4ccccc34)Sn2n1
46603 Cc1cc2NC(Nc3ccc(F)cc3)Sn2n1
46604 Cc1cc2NC(Nc3cc(Cl)ccc3Cl)Sn2n1
46605 Brc1ccccc1-c1n[nH]c(=S)[nH]1
46606 S=c1[nH]nc([nH]1)C1COc2ccccc2O1
46607 COc1ccc(cc1OC)-c1n[nH]c(=S)[nH]1
46608 Cc1[n-]n(-c2ccccc2)c(=S)c1\C=[NH+]\c1cccc(c1)[N+]([O-])=O
46609 O=C(CSc1nnc[nH]1)CSc1nnc[nH]1
46610 COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)[nH]1
46611 Clc1ccccc1-c1n[nH]c(=S)[nH]1
46612 Clc1cccc(c1)-c1n[nH]c(=S)[nH]1
46613 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(F)c(Cl)c1)c2=O
46614 [O-][N+](=O)c1cc(OCC(F)(F)F)c2c(c1)sn(-c1ccc(F)cc1)c2=O
46615 CCSc1nnc(S)s1
46616 CCOc1ccc(cc1)-c1nnc(S)o1
46617 Sc1nnc(Nc2ccccc2Cl)s1
46618 CCOc1ccc(NC(=S)Nc2cc(C)n[nH]2)cc1
46619 Cc1c(Cl)cccc1-n1sc2cc(cc(OCC(F)(F)F)c2c1=O)[N+]([O-])=O
46620 COc1ccc(cc1)-n1sc2cc(F)ccc2c1=O
46621 Fc1ccc2c(c1)sn(-c1cc(Cl)c(Cl)cc1Cl)c2=O
46622 Fc1ccc2c(c1)sn(-c1cc(Cl)cc(Cl)c1)c2=O
46623 Fc1ccc2c(c1)sn(-c1ccc(Cl)c(Cl)c1)c2=O
46624 Fc1ccc2c(c1)sn(-c1cc(Cl)ccc1Cl)c2=O
46625 Fc1ccc2c(c1)sn(-c1ccc(Cl)cc1Cl)c2=O
46626 Fc1ccc2c(c1)sn(-c1cccc(Cl)c1Cl)c2=O
46627 Cc1c(Cl)cccc1-n1sc2cc(F)ccc2c1=O
46628 Cc1cccc(c1C)-n1sc2cc(F)ccc2c1=O
46629 [O-][N+](=O)c1ccc2c(c1)sn(-c1cc(ccc1Cl)C(F)(F)F)c2=O
46630 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccccc1F)c2=O
46631 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1cccc(F)c1)c2=O
46632 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(F)cc1)c2=O
46633 [O-][N+](=O)c1cccc(c1)-n1sc2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
46634 [O-][N+](=O)c1ccc2c(c1)sn(-c1ccccc1)c2=O
46635 [O-][N+](=O)c1cc(N=[N+]=[N-])c2c(c1)sn(-c1ccccc1)c2=O
46636 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(OC(F)(F)Cl)cc1)c2=O
46637 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(-c1ccc(Br)cc1)c2=O
46638 Cc1ccc(cc1)-n1sc2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
46639 Clc1ccc(cc1)-n1sc2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
46640 O=C1c2ccccc2C(=O)c2c1ccc1c2sn(-c2ccccc2)c1=O
46641 O=P(N1CCOCC1)(c1nc2ccccc2s1)c1ccccc1
46642 Cc1ccc(NP(=O)(c2nc3ccccc3s2)c2ccccc2)cc1
46643 CS(=O)(=O)c1ccc2nc(sc2c1)-n1sc2ccccc2c1=O
46644 COCCNP(=O)(c1nc2ccccc2s1)c1ccccc1
46645 O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
46646 O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1
46647 O=c1n(sc2ccccc12)-c1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
46648 [O-][N+](=O)c1cnc(s1)-n1sc2ccccc2c1=O
46649 CCN(CC)S(=O)(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
46650 Cc1ccc2nc(sc2c1)-n1sc2ccccc2c1=O
46651 FC(F)Sc1ccc2nc(sc2c1)-n1sc2ccccc2c1=O
46652 Cc1csc(n1)-n1sc2ccccc2c1=O
46653 O=c1n(sc2ccccc12)-c1nc2ccccc2s1
46654 Clc1ccc(NS(=O)(=O)c2cccc(c2)-n2sc3ccccc3c2=O)cc1
46655 Fc1ccc(cc1Cl)-n1sc2ccccc2c1=O
46656 CCN(CC)CCOC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
46657 Cc1cc(-n2sc3ccccc3c2=O)c2ccccc2n1
46658 O=c1[nH]sc2ccccc12
46659 Brc1cnc(s1)-n1sc2ccccc2c1=O
46660 Brc1cccc(c1)-c1n[nH]c(=S)[nH]1
46661 COc1ccc(cc1)-c1n[nH]c(=S)[nH]1
46662 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Br)c1
46663 O=C1CC(C(C#N)=C2SCN(Cc3ccccc3)CN12)c1ccc2OCOc2c1 |t:6|
46664 COc1ccc2nc(NC(=S)N(C)C)sc2c1
46665 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)cc1 |w:6.6|
46666 COc1ccc(cc1)-c1nnc(N)[nH]1
46667 O=c1n(sc2ccccc12)-c1ccccc1
46668 COc1ccc2c(c1)sn(C1CCCC1)c2=O
46669 Oc1ccc2c(c1)sn(C1CCCC1)c2=O
46670 Cc1ccc(C)c(c1)N1Cc2ccccc2C1=O
46671 O=c1n([nH]c2ccccc12)-c1ccccc1
46672 Cc1ccc(C)c(c1)-n1[nH]c2ccccc2c1=O
46673 Cc1ccc(\N=c2\ssnc2Cl)nc1
46674 Clc1nss\c1=N/c1nccs1
46675 Clc1nss\c1=N/c1nc2ccccc2s1
46676 Clc1nss\c1=N/c1nncs1
46677 [O-][N+](=O)c1ccc(\N=c2/ssnc2Cl)c(c1)[N+]([O-])=O
46678 Clc1nss\c1=N\c1ccccc1Nc1ccc(Cl)cc1
46679 COc1ccc(OC)c(c1)\N=c1\ssnc1Cl
46680 OCc1ccccc1\N=c1\ssnc1Cl
46681 COc1cc(ccc1\N=c1\ssnc1Cl)[N+]([O-])=O
46682 [O-][N+](=O)c1ccc(\N=c2\ssnc2Cl)c2ccccc12
46683 Cc1ccc(\N=c2\ssnc2Cl)c(c1)[N+]([O-])=O
46684 Cc1ccc(cc1[N+]([O-])=O)\N=c1\ssnc1Cl
46685 Cc1ccc(cc1)\N=c1\ssnc1Cl
46686 Clc1nss\c1=N\c1ccccc1
46687 CCc1cc(CC)c(\N=c2/ssnc2Cl)c(CC)c1
46688 Cc1ccc(C)c(c1)-n1[se]c2ccccc2c1=O
46689 Cc1cccc(c1)-n1sc2ccccc2c1=O
46690 CN(C)c1cccc(c1)-n1sc2ccccc2c1=O
46691 Clc1ccc(cc1)-n1sc2ccccc2c1=O
46692 Ic1cccc(c1)-n1sc2ccccc2c1=O
46693 FC(F)(F)c1cccc(c1)-n1sc2ccccc2c1=O
46694 COc1cccc(c1)-n1sc2ccccc2c1=O
46695 Clc1cccc(c1)-n1sc2ccccc2c1=O
46696 Oc1c(sc2ccccc12)-c1ccccc1
46697 Clc1nss\c1=N/c1cccc(Cl)c1
46698 FC(F)(F)c1ccc(cc1)\N=c1/ssnc1Cl
46699 CN(C)c1ccc(cc1)\N=c1\ssnc1Cl
46700 CC(C)(C)c1ccc(cc1)\N=c1/ssnc1Cl
46701 Cc1cccc(c1)\N=c1\ssnc1Cl
46702 Clc1nss\c1=N/c1ccc(Cl)c(Cl)c1
46703 COc1ccc(cc1OC)\N=c1\ssnc1Cl
46704 Oc1ccc(cc1)N=c1ssnc1Cl |w:7.7|
46705 Cc1ccc(cc1C)\N=c1\ssnc1Cl
46706 O=c1n(sc2ccccc12)-c1ccc2ccccc2c1
46707 CN(C)c1ccc(cc1)-n1sc2ccccc2c1=O
46708 CC(C)(C)c1ccc(cc1)-n1sc2ccccc2c1=O
46709 FC(F)(F)c1ccc(cc1)-n1sc2ccccc2c1=O
46710 COc1ccc(C\N=c2/ssnc2Cl)cc1
46711 FC(F)(F)Oc1cccc(c1)\N=c1\ssnc1Cl
46712 COc1ccc(C)c(c1)\N=c1/ssnc1Cl
46713 Clc1nss\c1=N/c1cccnc1
46714 Clc1nss\c1=N\c1ccc2ccccc2c1
46715 Clc1nss\c1=N\c1ccc2ncccc2c1
46716 Clc1nss\c1=N\c1cnc2ccccc2c1
46717 [O-][N+](=O)c1ccc(cc1)\N=c1\ssnc1Cl
46718 Fc1ccc(cc1)\N=c1\ssnc1Cl
46719 Cc1c(Cl)cccc1\N=c1/ssnc1Cl
46720 [O-][N+](=O)c1c(Br)cccc1\N=c1\ssnc1Cl
46721 COc1ccc(C)cc1\N=c1/ssnc1Cl
46722 Clc1nss\c1=N\c1ccccc1Br
46723 Cc1ccncc1\N=c1/ssnc1Cl
46724 CCc1nnc(\N=c2/ssnc2Cl)s1
46725 FC(F)(F)c1nnc(\N=c2/ssnc2Cl)s1
46726 CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cccnc1
46727 CCOc1cc(cc(C(O)=O)c1O)[C@@H]1NC(=O)NC(C1c1ccsc1)c1cccnc1
46728 Cc1nnc(\N=c2/ssnc2Cl)o1
46729 COCC\N=c1/ssnc1Cl
46730 Clc1nss\c1=N/C1CCC1
46731 Fc1ccc2sn(-c3ccccc3F)c(=O)c2c1
46732 Fc1ccc2sn(-c3ccc(Cl)cc3)c(=O)c2c1
46733 Fc1cccc(c1)-n1sc2ccc(F)cc2c1=O
46734 Cc1cc(N=c2ssnc2Cl)n[nH]1 |w:4.3|
46735 CCOC(=O)c1nnc(\N=c2/ssnc2Cl)o1
46736 CCOc1nss\c1=N\c1ccc2ccccc2c1
46737 Clc1nss\c1=N/c1ccccn1
46738 Clc1nss\c1=N\c1cccnc1Cl
46739 CCOc1cc(cc(C(O)=O)c1O)[C@H]1NC(=O)NC(C1c1ccsc1)c1cccnc1
46740 Cc1cnc(cn1)\N=c1\ssnc1Cl
46741 Clc1nssc1=Nc1nc2ccccc2[nH]1 |w:6.7|
46742 Clc1nss\c1=N/c1ncccn1
46743 Clc1nss\c1=N/c1cc(Cl)ccn1
46744 COc1ccc(cn1)\N=c1\ssnc1Cl
46745 Clc1nss\c1=N/C1=NCCS1 |t:8|
46746 CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1
46747 CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
46748 FC(F)(F)c1c(CCN2CCOCC2)c(=O)oc2c3CCCN4CCCc(cc12)c34
46749 [#6]-[#6](=O)-[#7]-1-[#6](=O)\[#6](-c2ccccc-12)=[#6]-1\[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-1 |c:21,t:16|
46750 CCOC(=O)C1CN(CCN1S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
46751 COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1
46752 CCOC(=O)C1C(NC(=O)NC1(O)C(F)(F)F)c1ccc2OCOc2c1
46753 COc1cc(OC)c(cc1OC)C(=O)NC1CCCCCC1
46754 [H]C12OC3(C=C1)C(C2C(O)=O)C(=O)N1C3C(C)C(=O)CC1c1ccco1 |c:4|
46755 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ccc(F)cc1
46756 FC(F)(F)c1cccc(c1)C(=O)Nc1nnc(o1)-c1cccs1
46757 O=C(Nc1ccccc1)Nc1ccc2snnc2c1
46758 Cc1cc(nc(NCc2ccccc2)n1)N1CCCCC1
46759 COC(=O)C([CH+][N-]OCc1ccc(cc1)[N+]([O-])=O)NC(=O)c1cccc(Cl)c1
46760 CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
46761 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cc(nc2ccccc12)-c1ccccc1
46762 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
46763 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
46764 [#6]\[#6](-c1c([n-]n(-c2ccc(cc2)-[#7+](-[#8-])=O)c1=O)-c1ccccc1)=[#7+](/[#6])-[#6]
46765 COC(=O)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1
46766 COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
46767 CCN1C(=S)N\C(=C/c2ccc(cc2)N2CCCC2)C1=O
46768 CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
46769 [O-][N+](=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
46770 CC(C)C=C1CCC(=Cc2ccc(cc2)N(C)C)C1=O |w:3.2,8.8|
46771 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(N)=S |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
46772 Cc1onc(c1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1)-c1ccccc1
46773 CCOc1cc(C=C(C#N)c2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O
46774 CC(C)(C)c1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccs1
46775 Clc1ccccc1NC(=S)NCCCc1ccccc1
46776 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1
46777 COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1
46778 OC(=O)c1cc2OCCCOc2cc1Br
46779 CCCCNC(=S)Nc1ccc(cc1)[N+]([O-])=O
46780 [O-][N+](=O)c1cc(NC(=O)Nc2ccccc2)ccc1F
46781 COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@@H]2C(CN1C(=O)c1ccccc1)=CC(=O)C2=C |c:27|
46782 Cc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
46783 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccc(CN2CCOCC2)cc1
46784 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
46785 CN1CCS\C1=C\C=C1/SC(=S)N(CC(O)=O)C1=O
46786 N#C\C(=C/c1ccccn1)c1nc2ccccc2s1
46787 COc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1 |t:12|
46788 COC(=O)c1ccc(NC(=O)Nc2cccc(F)c2)cc1
46789 COc1ccccc1CC(=O)Nc1ccc(cc1O)[N+]([O-])=O
46790 COc1cccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)c1
46791 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C)n1
46792 COc1cc(C=C(C#N)c2nc3ccccc3[nH]2)cc(OC)c1O
46793 CC(C)N1CCc2c(C1)sc(NC(C)=O)c2-c1nc2ccccc2s1
46794 [O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Cl)cc2)s1
46795 CC(C)(C)S(=O)(=O)C(=NNc1ccc(Cl)cc1)C#N |w:8.8|
46796 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(Cl)c1C)c2=O
46797 CN(C)C=Nc1cc2nc3[nH]c(=O)n(CC=C)c(=O)c3nc2cc1C |w:4.4|
46798 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2sc(=O)n(c2-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2ccccc2)-[#6]-1=O
46799 CCN(CC)c1ccc(\C=C2/SC(=O)N(C(C)C)C2=O)o1
46800 ClC(Cl)(Cl)C(=O)C(C#N)c1nc2ccccc2[nH]1
46801 COc1cc(\C=C2/SC(=S)N(C2=O)c2cccnc2)ccc1O
46802 COc1cc(N2CCCC2)c(OC)cc1\C=C1/SC(=O)N(C)C1=O
46803 Oc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccncc1 |w:10.11|
46804 CC(C)c1nc2n(C)c3ccccc3c(=O)c2c(=O)n1CCc1ccccc1
46805 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)N2CCN(Cc3ccccc3)CC2)C1=O |TLB:8:7:10.9:2,11:10:2:7.5,THB:6:5:10.9:2,30:9:2:7.5|
46806 Cc1ccc(cc1NC(=O)Nc1cccc(F)c1)[N+]([O-])=O
46807 CCN1C(=S)S\C(=C/C=C2\N(CC)c3cc(ccc3N2c2ccccc2)S(=O)(=O)N(C)C)C1=O
46808 Oc1ccc(C=NN2C(=S)SC(=Cc3ccc(O)cc3)C2=O)cc1 |w:6.6,12.12|
46809 OC(=O)c1cccc(c1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
46810 Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(CCc1ccccc1)c3=O
46811 CCCc1ccc(cc1)C(=O)NC(=O)c1ccccc1O
46812 COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
46813 Clc1ccc(NN=C(C#N)C(=O)C2CC2)cc1Cl |w:6.5|
46814 Nc1c(sc2nsc(SCCN3CCOCC3)c12)C(=O)c1ccc(Cl)cc1
46815 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1
46816 CN(C)c1ccc(C=C(C#N)C(=O)C2CC2)cc1 |w:7.6|
46817 Cc1ccc(c(C)c1)-n1c(O)cc(N2CCSCC2)c1O |(5.79,-6.21,;5.79,-4.67,;7.12,-3.9,;7.12,-2.36,;5.79,-1.59,;4.46,-2.36,;3.12,-1.59,;4.46,-3.9,;5.79,-.05,;4.54,.85,;3.08,.38,;5.02,2.32,;6.56,2.32,;7.47,3.56,;6.84,4.97,;7.74,6.21,;9.28,6.05,;9.9,4.65,;9,3.4,;7.04,.85,;8.5,.38,)|
46818 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cccs1)C1CC1
46819 Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCCC1
46820 CC1(C)CCCC2=C1Cc1c(C2)c(O)n(c1O)-c1ccccc1 |c:6|
46821 COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
46822 Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)N1CCCCC1
46823 COc1ccc(cc1OC)S(=O)(=O)N(CC(=O)N1CCOCC1)c1cc(Cl)ccc1OC
46824 COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
46825 CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C(C)(C)C)S(=O)(=O)NC(C)(C)C
46826 Cc1cc(C)cc(c1)N1C(SCC1=O)c1cccs1
46827 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCOCC1
46828 COCn1cc(c2cc(OCC=C)ccc12)S(=O)(=O)c1ccc(C)cc1
46829 Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
46830 Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
46831 Cc1nn(c(OC(=O)C(C)(C)C)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
46832 Fc1ccc(cc1)S(=O)(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
46833 C[N+](C)(C)C\C=C1\COCO1
46834 Cc1onc(c1C(=O)Nc1cccc(c1)-c1nc2ncccn2c1C)-c1ccccc1Cl
46835 O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12
46836 Cc1nn(c(OC(=O)C2CCCC2)c1S(=O)(=O)c1ccccc1)C(C)(C)C
46837 Cc1nc(NC(=O)c2csc3ccccc23)sc1C
46838 CN(C)S(=O)(=O)N1CCN(CC1)c1cc(Cl)ccc1Cl
46839 CC(C)N(Cc1nc(no1)-c1cccc(C)c1)S(=O)(=O)c1ccc(F)cc1
46840 COc1ccc(cc1Br)S(=O)(=O)N1CCC(C)CC1
46841 COc1ccc(c(C)c1C)S(=O)(=O)NC1CCCCC1
46842 CC(c1ccccc1)c1cc(C)c(C)c(CN2CCOCC2)c1O
46846 CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
46847 COc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
46848 Cc1cccc(CC2CC(=O)N(C3CCCCC3)C2=O)c1
46849 Cc1cc(C)n(n1)-c1nc(C)nc(NCc2ccccc2)n1
46850 O=S(=O)(N1CCCCC1)c1ccc2ccccc2c1
46851 COc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2C)c(OC)c1OC
46852 Cc1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
46853 CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc12 |t:1|
46854 COc1ccc(OC)c(c1)S(=O)(=O)N1CCCc2ccccc12
46855 CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccccc2)c2ccc(C)cc12 |t:1|
46856 O=S(=O)(c1ccccc1)C1(CCCC1)S(=O)(=O)c1ccccc1
46857 Cc1ccc(cc1)S(=O)(=O)N1C(=S)SCC1(C)C
46858 COC(=O)C1=CCCN(C)C1 |t:4|
46859 Cl.[H][C@@]12C[C@@](O)(CCN1C[C@@]1([H])c3ccccc3CCc3cccc2c13)C(C)(C)C
46860 Cc1ccc(c2nsnc12)S(=O)(=O)NC1CCCCC1
46861 Cc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCCCCC1
46862 Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccccc1
46863 CCOc1ccc(c2ccccc12)S(=O)(=O)N1CCCCCC1
46864 COc1cccc(CN(CC2CCCO2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c1
46865 CSc1nsc(SC)c1C(=O)N1CCN(C1C(C)C)S(=O)(=O)c1ccc(C)cc1
46866 Cc1cc(C)cc(c1)N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccccc1
46867 CCOC(=O)c1c(C)nn(c1NCc1ccccc1)S(=O)(=O)c1ccccc1
46868 CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
46869 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc(C)c1
46870 CC(C)Oc1ccc(C=NNC(=O)C(CSCc2ccccc2)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1 |w:9.9|
46871 COc1ccc(OC)c(c1)N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(OC)c(OC)c1
46872 CC(C)C(COCc1ccc(cc1)C(F)(F)F)N1CCN(CCC1=O)S(=O)(=O)c1ccc(C)cc1
46873 ClC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)N(Cc2ccccc2)C1=O |c:1|
46874 CC(=C)Cn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
46875 CCCCn1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
46876 CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(C)cc1 |w:6.5|
46877 CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
46878 CC(C)n1c(C)cc(C)c(c1=O)S(=O)(=O)c1ccccc1C
46879 [O-][N+](=O)c1ccc(cc1)C(=O)N(Cc1ccc(Cl)cc1Cl)N1C(=O)CCCC1=O
46880 CN(CC(=O)ON=C(N)c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1 |w:6.5|
46881 CC1=CC(C)(C)N(C(=O)CSc2nnc(o2)-c2ccc(C)cc2)c2ccc(C)cc12 |t:1|
46882 CCOc1cc(ccc1F)S(=O)(=O)N1CCCCCC1
46883 CCOC(=O)CSc1nc2n(-c3ccccc3OC)c(=S)sc2c(=O)n1Cc1ccco1 |(4.18,5.39,;4.18,3.85,;5.52,3.08,;5.52,1.54,;4.18,.77,;6.85,.77,;6.85,-.77,;8.18,-1.54,;9.52,-.77,;10.85,-1.54,;12.31,-1.07,;12.79,.39,;11.76,1.54,;12.24,3,;13.74,3.32,;14.77,2.17,;14.29,.71,;15.32,-.44,;16.83,-.12,;13.21,-2.31,;14.75,-2.31,;12.31,-3.55,;10.85,-3.08,;9.52,-3.85,;9.52,-5.39,;8.18,-3.08,;6.85,-3.85,;5.52,-3.08,;5.36,-1.55,;3.85,-1.23,;3.08,-2.56,;4.11,-3.71,)|
46884 COc1ccc(c(Cl)c1Cl)S(=O)(=O)NC1CCCC1
46885 CC(C)N(C(C)C)C(=O)c1ccc(cc1)C(=O)c1c(C)cc(C)cc1C
46886 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N1CCCc2ccccc12
46887 CCN(CC)C(=O)CC1(CCOC(C1)C(C)C)c1ccccc1OC
46888 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1N1CCCCC1
46889 CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
46890 [H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#7]-[#6](=O)-[#6](-[#6]-[#6])-[#8]-c1cc(Cl)ccc1Cl)-[#6]-3=O)\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:28:2.3,THB:26:6:28:2.3|
46891 Brc1ccc(o1)C(=O)NC(=S)NNC(=O)c1cccs1
46892 COc1ccccc1C1CN=NC11CCCc2ccccc2C1=O |c:11|
46893 O=C1c2ccccc2CCCC11N=NCC1c1cccc2ccccc12 |c:14|
46894 Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccccc1
46895 Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)nc1Oc1cccc(c1)C(F)(F)F
46896 O=S(=O)(\[#6]=[#6](\c1ccccc1)-c1ccccc1)c1ccccc1
46897 Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)c1c(C)cccc1C)C(C)(C)C
46898 CCOC(=O)C1=C(NC(=S)NC(=O)c2ccccc2)c2ccccc2CC1(C)C |c:5|
46899 Cc1cc(oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)C(C)(C)C
46900 COc1ccc(cc1)C(N(Cc1ccccc1)C(=O)c1nsc(Cl)c1Cl)C(=O)NC1CCCC1
46901 CN(C)c1ncc(c(n1)-c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1
46902 CC(C)COc1nc(C)cc(C)c1S(=O)(=O)c1c(C)cccc1C
46903 COc1ccc2N(C(=O)CSc3nc4ccccc4s3)C(C)(C)CC(C)c2c1
46904 Cc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O
46905 CN(c1cc(c(C)cc1C)S(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
46906 COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(C)cc1
46907 CN(C)S(=O)(=O)c1cc(ccc1N1CCCCCC1)[N+]([O-])=O
46908 COc1ccc(NS(=O)(=O)c2ccc(OC)c(c2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
46909 CC(C)c1ccc(cc1S(=O)(=O)N1CCCCCC1)[N+]([O-])=O
46910 CC1CCN(CC1)S(=O)(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)cc1C
46911 C(c1cccc2ccccc12)[n+]1csc2ccccc12
46912 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1
46913 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1ccccc1-c1ccccc1
46914 COc1ccc(cc1N(C)S(=O)(=O)c1ccccc1)S(=O)(=O)N1CCCCCC1
46915 COc1ccc(cc1N(C)S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)N1CCCCCC1
46916 CCCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)ncc1-c1ccc(F)cc1
46917 CCOC(=O)c1c(CSc2ccc(C)cc2)oc2ccc(O)cc12
46918 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)Cc1ccccn1
46919 Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCCCCC1
46920 CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(CC(C)=C)CC1)S(=O)(=O)c1ccc(C)cc1
46921 CCNC(=S)N(Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O
46922 CC(C)N(C(C)C)C(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
46923 CC(N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
46924 CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
46925 OC(C(=O)NN(C(=O)c1ccccc1F)c1ccccc1)(c1ccccc1)c1ccccc1
46926 COc1ccc(cc1NC(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C)C(C)(C)C
46927 Cc1ccc(c(C)c1)S(=O)(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
46928 CC(C)[C@H](NS(=O)(=O)c1ccc2OCCOc2c1)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl
46929 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSC(=S)N(CC)CC |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
46930 CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
46931 O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
46932 Cc1ccc(cc1C)S(=O)(=O)Nc1ccccc1-c1ccccc1
46933 CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(c1)[N+]([O-])=O
46934 CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)NC1CCCc2ccccc12
46935 COC(=O)c1c(NC(=O)COC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)sc2CCCc12
46936 [H]C12CCC([H])(C1)C1C2ON=C1c1c(C)cc(C)cc1C |c:12,TLB:11:7:6:3.2,THB:9:8:6:3.2|
46937 CC(C)(C)NC(=O)C12CCC(C(Br)Br)(C1Br)C2(C)C
46938 COc1cc(C)nc(n1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
46939 OC(=O)c1csc(N=NCc2ccc(Br)cc2)n1 |w:7.6|
46940 Cc1ccc(NC(=O)c2cnc(N3CCN(CC3)c3ccccn3)c3ccccc23)c(Br)c1
46941 COc1cc(c(C)cc1C)S(=O)(=O)N(C)C1CCCCC1
46942 CCOc1ccc(c(C)c1C)S(=O)(=O)N1CCCCC1
46943 COc1ccc(cc1Br)S(=O)(=O)N1CCCCCC1
46944 Clc1ccc(Cl)c(c1)N1CCN(CC1)S(=O)(=O)N1CCCCC1
46945 Cc1ccc(N2CCN(CC2)S(=O)(=O)N2CCCCC2)c(C)c1
46946 CCCC(=O)Oc1c(c(C)nn1C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
46947 CC1CCN(CC1)S(=O)(=O)c1ccc(C)cc1[N+]([O-])=O
46948 Cc1ccc(Cl)cc1N1CCN(CC1)S(=O)(=O)N1CCCCC1
46949 COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(c1)[N+]([O-])=O
46950 CC1CCN(CC1)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
46951 CCC1CCCCN1S(=O)(=O)c1ccccc1[N+]([O-])=O
46952 Clc1ccc(cc1)S(=O)(=O)NC1CCCCC1N1CCOCC1
46953 O=S(=O)(N1CCCCCC1)c1ccc2ccccc2c1
46954 COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1
46955 CC(C)c1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
46956 CCOC(=O)C1CCN(CC1)C(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
46957 COc1cc(C)ccc1S(=O)(=O)N1CCCCCC1
46958 COc1ccc(Cl)cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O
46959 CCOc1ccc2N(C(C)(C)C=C(C)c2c1)S(=O)(=O)c1ccc(C)cc1 |t:11|
46960 Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
46961 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-1\[#6](=[#6](/Cl)Cl)\[#6](=[#6]-1\[#16]-[#6]-[#6]-[#16]-1)\[#7+](-[#8-])=O
46962 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(N2CCN(CC2)c2ccccn2)c(c1)[N+]([O-])=O |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
46963 COc1ccc(cc1)N1C(c2ccccc2F)C(F)(F)C1=O
46964 Clc1cnn(Cc2nnc(o2)-c2ccccc2Br)c(=O)c1Cl
46965 CN(c1ccccc1)S(=O)(=O)c1cccc(Cl)c1Cl
46966 CN1CCN(CC1)c1ccc(cc1NC(=O)COc1ccccc1C)S(=O)(=O)N1CCCCC1
46967 COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCc1c(C)noc1C
46968 CN(C1CCCCC1)S(=O)(=O)c1cccc(c1)C#N
46969 COc1ccc(CCNC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
46970 Clc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1Cl
46971 CSc1nc2ccccc2nc1N(C)S(=O)(=O)c1ccc(C)cc1
46972 CCN(CC)c1ccc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2cccs2)cc1
46973 CN(c1ccc(OCC(=O)Nc2nnc(s2)C2CC2)cc1)S(=O)(=O)c1ccc(C)cc1
46974 CCc1nnc(NC(=O)COc2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)s1
46975 CC1(C)Cc2cccc(Oc3ccc(cn3)S(=O)(=O)N3CCCCC3)c2O1
46976 [H]C12CCCC([H])(C1Cl)C2S(=O)(=O)c1ccc(C)cc1 |(8.34,1.93,;7.25,.85,;3.24,-.4,;3.08,-1.93,;4.49,-2.55,;6.85,-.64,;7.27,-2.12,;6.11,2.36,;5.34,3.69,;9.67,-1.01,;11.16,-1.41,;10.76,-2.9,;11.56,.08,;12.65,-1.81,;13.05,-3.3,;14.53,-3.69,;15.62,-2.61,;17.11,-3,;15.22,-1.12,;13.74,-.72,)|
46977 COC(=O)C1(C(C[N+]([O-])=O)c2ccco2)C(CNC1=O)c1ccccc1
46978 CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
46979 S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1
46980 COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)c1c(C)onc1-c1ccccc1
46981 Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
46982 COc1ccc(cc1)C(=O)CSc1nnn(n1)-c1cccc(NC(C)=O)c1
46983 COc1ccc(CCN2C(=O)CS\C2=N/c2ccc(cc2)C(C)C)cc1OC
46984 [H]C12CN(C([H])(C1)CCC2)S(=O)(=O)c1ccc(C)cc1 |THB:10:3:6:9.7.8|
46985 O=S(=O)(Oc1ccccc1N1CCCCC1)c1ccccc1
46986 COC(=O)c1ccc(Cl)cc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O
46987 Clc1ccc(cc1)S(=O)(=O)c1csc(Br)c1NC(=O)c1ccccc1Cl
46988 COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)S(=O)(=O)c1ccccc1
46989 COC(=O)c1cc(c(s1)C(F)(F)F)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
46990 CCN(C(=O)c1cnc(OC)cc1C(F)(F)F)c1ccc(Cl)cc1Cl
46991 Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccc(Cl)cc1 |(6.9,-2.18,;7.81,-.93,;9.35,-.93,;9.82,.53,;8.58,1.44,;7.33,.53,;5.87,1.01,;5.39,2.47,;3.85,2.47,;3.37,1.01,;4.62,.1,;4.62,-1.44,;6.16,-1.44,;3.08,-1.44,;4.62,-2.98,;3.29,-3.75,;3.29,-5.29,;4.62,-6.06,;4.62,-7.6,;5.95,-5.29,;5.95,-3.75,;8.58,2.98,;7.24,3.75,;7.24,5.29,;8.58,6.06,;8.58,7.6,;9.91,5.29,;9.91,3.75,)|
46992 Cc1onc(c1-c1ccnn1S(=O)(=O)c1cccc(c1)C(F)(F)F)-c1ccc(Cl)cc1 |(9.36,-2.28,;10.27,-1.04,;11.81,-1.04,;12.28,.43,;11.04,1.33,;9.79,.43,;8.33,.9,;7.85,2.37,;6.31,2.37,;5.84,.9,;7.08,-0,;7.08,-1.54,;8.62,-1.54,;5.54,-1.54,;7.08,-3.08,;8.41,-3.85,;8.41,-5.39,;7.08,-6.16,;5.75,-5.39,;5.75,-3.85,;4.41,-6.16,;3.08,-6.93,;5.18,-7.49,;3.64,-4.83,;11.04,2.87,;12.37,3.64,;12.37,5.18,;11.04,5.95,;11.04,7.49,;9.7,5.18,;9.7,3.64,)|
46993 Cc1onc(c1-c1ccnn1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1 |(6.9,-1.41,;7.81,-.16,;9.35,-.16,;9.82,1.3,;8.58,2.21,;7.33,1.3,;5.87,1.78,;5.39,3.24,;3.85,3.24,;3.37,1.78,;4.62,.87,;4.62,-.67,;6.16,-.67,;3.08,-.67,;4.62,-2.21,;3.29,-2.98,;3.29,-4.52,;4.62,-5.29,;4.62,-6.83,;5.95,-4.52,;5.95,-2.98,;8.58,3.75,;9.91,4.52,;9.91,6.06,;8.58,6.83,;7.24,6.06,;7.24,4.52,)|
46994 O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1
46995 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1N1CCCCC1
46996 Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCCCC2)no1
46997 CCN(CC)C(c1nnnn1C1CCCCC1)c1ccc(C)cc1
46998 Cn1c(Cn2nnc3ccccc23)nnc1SCC(=O)N1c2ccccc2Sc2ccccc12
46999 C(CNCC1OCCc2ccccc12)CN1CCCCC1
47000 CCCCc1c(O)nc(SCCN(C)C)n(-c2ccccc2)c1=O
47001 Cc1ccc(C)c(NC(=O)CSc2nnc(o2)[C@@H](N)Cc2c[nH]c3ccccc23)c1
47002 COc1ccc(CCn2c3nc4ccccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
47003 NC(=O)CSc1nnc2sc3ccccc3n12
47004 Cc1ccccc1NC(=O)C1CN(C(=O)C1)c1ccccc1F
47005 Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
47006 OC(COc1ccc(cc1)C1CCC=C1)CN1CCCCC1 |c:14|
47007 Oc1ccc(-c2csc(Nc3ccc(cc3)C#N)n2)c(O)c1
47008 N#Cc1ccc(Nc2nc(cs2)-c2ccc(cc2)C#N)cc1
47009 CCOc1ccc(cc1)-c1csc(Nc2ccc(cc2)C#N)n1
47010 Cc1cc(c(C)n1Cc1ccccc1)-c1csc(Nc2ccc(cc2)C#N)n1
47011 Cc1cc(c(C)n1CCc1ccccc1)-c1csc(Nc2ccc(cc2)C#N)n1
47012 Brc1cccc(c1)-c1csc(Nc2ccc(cc2)C#N)n1
47013 CCOC(=O)C(=C\c1c2ccccc2cc2ccccc12)\C#N
47014 CCOC(=O)C(=C\c1ccc(cc1)C#N)\C#N
47015 CCOC(=O)C(=C\c1ccc(cc1)[N+]([O-])=O)\C#N
47016 CCOC(=O)C(=C\c1ccc(F)cc1[N+]([O-])=O)\C#N
47017 CCOC(=O)C(=C\c1c[nH]c2ccc(cc12)C#N)\C#N
47018 CCOC(=O)C(=C\c1sc2ccccc2c1-c1ccccc1)\C#N
47019 N#C\[#6](=[#6]\c1c2ccccc2cc2ccccc12)C#N
47020 Cc1cc(-c2csc(Nc3ccc(cc3)C#N)n2)c(C)n1C
47021 NS(=O)(=O)c1ccc(Nc2ccccc2\C=C\C#N)cc1
47022 Oc1ccc(-c2csc(Nc3ccc(C#N)c(c3)C(F)(F)F)n2)c(O)c1
47023 CCCCCCCCCCCNC(=O)c1ccoc1C
47024 COc1cc(C=C(C#N)c2nc3CCCCc3s2)ccc1O
47025 CCCCc1ccc(\C=C2\C(=O)ON=C2c2ccccc2)s1 |c:13|
47026 CC(CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 |c:15|
47027 COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
47028 Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
47029 CCSc1nc(nc(n1)-c1ccccc1)C(Cl)Cl
47030 CSc1nc(nc(n1)-c1ccccc1)C(Cl)Cl
47031 CN(C)c1cccc(c1)\N=c1/ssnc1Cl
47032 Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
47033 N(c1nc(-c2ccccc2)[n+](s1)-c1ccccc1)c1ccccc1
47034 C(Nc1nc(-c2ccccc2)[n+](s1)-c1ccccc1)c1ccccc1
47035 COc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1
47036 CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(=C1c1ccsc1)c1cccnc1 |c:19|
47037 CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(=C1c1ccsc1)c1cccnc1 |c:19|
47038 CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(=C1c1ccsc1)c1cccnc1 |c:19|
47039 CCOc1cc(cc(C(O)=O)c1O)C1NC(=O)NC(C1c1ccsc1)c1cnn(C)c1
47042 CCOc1cc(cc(c1O)[N+]([O-])=O)C1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1 |c:26|
47043 CCOc1cc(cc(c1O)[N+]([O-])=O)[C@@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1 |c:26|
47044 CCOc1cc(cc(c1O)[N+]([O-])=O)[C@H]1NC(=O)NC(c2ccn(C)n2)=C1c1ccsc1 |c:26|
47045 Cn1cc(cn1)C1NC(=O)NC(C1c1ccsc1)c1ccc(C(O)=O)c(O)c1
47048 CNc1ncnc2ccc(cc12)C#CCNC(=O)c1c(C)n(C)n(Cc2ccc(F)c(F)c2)c1=O
47049 CN(C)CCN(C)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47050 CCOc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47051 CN(C)CCCOc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47052 COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
47053 Nc1ncnc2cc(Cl)c(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47054 CCOC(=O)c1c(NC(=O)CCCC(O)=O)scc1-c1cccs1
47055 CN(C)CCCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccccc1
47056 Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O |(3.12,-4.21,;4.46,-4.98,;4.46,-6.52,;5.79,-7.29,;7.12,-6.52,;7.12,-4.98,;5.79,-4.21,;5.79,-2.67,;7.04,-1.76,;8.5,-2.24,;6.56,-.3,;5.02,-.3,;4.12,.95,;4.74,2.36,;3.97,3.69,;5,4.83,;6.41,4.21,;6.25,2.68,;7.74,4.98,;9.08,4.21,;10.41,4.98,;10.41,6.52,;9.08,7.29,;7.74,6.52,;4.54,-1.76,;3.08,-2.24,)|
47057 Oc1ncnc2ccc(cc12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47058 CCN(CC)CCCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccccn1
47059 CNC(=O)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47060 CN(C)C(=O)c1cnc2ccc(cc2n1)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O
47061 Cn1c2nccc2c(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r|
47062 O=C(CSc1ncnc2c3ccccc3oc12)c1cccs1
47063 CS(=O)(=O)NCCCCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
47064 NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
47065 O=C(NC(=O)c1ccnc(c1)N1CCCCC1)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
47066 C(N1CC2CCC(CC2)C1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1 |THB:0:1:4.5:7.8,(6.33,-8.24,;6.95,-9.64,;6.18,-10.98,;6.18,-12.52,;7.52,-13.29,;9.38,-13.04,;8.04,-12.27,;6.95,-13.36,;5.09,-13.61,;8.04,-10.73,;7.23,-6.99,;8.77,-6.99,;9.25,-5.53,;8,-4.62,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;6.76,-5.53,)|
47067 Brc1ccc(s1)-c1nc2ccccc2s1
47068 CNC1C2CCC(C2)C1NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1 |TLB:1:2:5.4:7,THB:9:8:5.4:7|
47069 Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@@H]1CCCNC1 |r|
47070 Cc1cc(on1)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
47071 C(N1C2CCC1CC2)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
47072 Cc1nc(Oc2ccc3OC(CCc3c2)c2ccccc2C)sc1C(=O)NCc1ccncc1
47073 CCOC(=O)C1(CC1)NC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
47074 CC(C)Oc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCCc3c(C)noc3C)ccc2O1
47075 Cc1csc(CCNc2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)n1
47076 O=C(NC1CC1)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
47077 C[C@@]1(O)CC[C@@H](Nc2c(cnn3cc(NS(C)(=O)=O)cc23)C(N)=O)C1(C)C |r|
47078 Cn1c2ccccc2c(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)cc1=O
47079 COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(cc1)N(C)C
47080 CC(C)C(=O)C1=C(O)C(=O)N(C1c1ccccc1N1CCCC1=O)c1ccc(cc1)-c1noc(C)n1 |c:5|
47081 Cn1c2cc(Cl)ccc2c(SCC(=O)N2CCOCC2)cc1=O
47082 CC(C)N(Cc1cnc[nH]1)c1cc(Cl)cc(Cl)c1
47083 CN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1
47084 CC(C)N(Cc1cnc[nH]1)c1ccc(Br)cc1
47085 CN([C@H]1CN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O)C(=O)N(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,@:16|
47086 Cc1cccc(Nc2nn3c(nc4ccccc4c3=O)s2)c1
47087 OC(=O)CCNC(=O)c1ncc2n(Cc3ccccc3)c(=O)c(cc2c1O)-c1ccc2nonc2c1
47088 OC(=O)CCNC(=O)c1nc(-c2ccnnc2)c2n(Cc3ccccc3)c(=O)c(cc2c1O)-c1ccccc1
47089 CCn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O
47090 OC(=O)CCNC(=O)c1nc(-c2cccnn2)c2n(Cc3ccccc3)c(=O)c(cc2c1O)-c1ccccc1
47091 CN1CCN(Cc2ccc(C(=O)Cn3ncc(OCc4ccc(Cl)cn4)cc3=O)c(C)c2)CC1
47092 CNC[C@@H](O)\C=C(/CC(C)C)C(C)=O |r|
47093 COc1ccc2CCN(Cc2n1)c1ncnn2c(C)nc([C@H]3CCOC3)c12
47094 COc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ncnc3[nH]c(=O)cnc23)c2ccccc12)C(C)(C)C
47095 CCNC(=O)Nc1ccc2ncc(Nc3ccc(C)cc3)nc2n1
47096 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1cccc(O)c1
47097 CCNC(=O)Nc1ccc2ncc(Nc3cccc(C)c3)nc2n1
47098 CCNC(=O)Nc1ccc2ncc(Nc3ccccc3C)nc2n1
47099 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(OP(O)(O)=O)c(OC)c1
47100 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1cc(Cl)c(O)c(OC)c1
47101 CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O
47102 CCNC(=O)Nc1ccc2ncc(Nc3ccc4ccccc4c3)nc2n1
47103 CCNC(=O)Nc1ccc2ncc(nc2n1)-c1ccc(O)c(OC)c1
47104 CCn1c2ccccc2c(SCC(=O)Nc2ccc3OCOc3c2)cc1=O
47105 CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2noc(=O)[nH]2)c(=O)n(C2CCCOC2)c2ncnn12
47106 CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2noc(=O)[nH]2)c(=O)n(C2CCC(CC2)OCCOC)c2ncnn12 |(-4.24,2.37,;-2.67,3.21,;-1.33,2.44,;,3.21,;1.33,2.44,;1.33,.9,;,.13,;,-1.41,;-1.33,-2.18,;-2.67,-1.41,;-2.67,.13,;-1.33,.9,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-6.67,-3.72,;-5.33,-4.49,;-4,-3.72,;-2.67,-4.49,;-1.2,-4.01,;-.3,-5.26,;-1.2,-6.5,;-.43,-7.83,;-2.67,-6.03,;2.67,3.21,;4,2.44,;2.67,4.75,;4,5.52,;4,7.06,;5.33,7.83,;6.67,7.06,;6.67,5.52,;5.33,4.75,;8,7.83,;8,9.37,;9.34,10.14,;9.34,11.68,;10.67,12.45,;1.33,5.52,;1.01,7.03,;-.52,7.19,;-1.14,5.79,;,4.75,)|
47107 CCCc1c(Cc2ccc(c(C)c2)-c2ccccc2-c2noc(=O)[nH]2)c(=O)n(C2CCC(CC2)OCC(C)(C)O)c2nc(C)nn12 |(-4.24,2.37,;-2.67,3.21,;-1.33,2.44,;,3.21,;1.33,2.44,;1.33,.9,;,.13,;,-1.41,;-1.33,-2.18,;-2.67,-1.41,;-2.67,.13,;-4,.9,;-1.33,.9,;-4,-2.18,;-5.33,-1.41,;-6.67,-2.18,;-6.67,-3.72,;-5.33,-4.49,;-4,-3.72,;-2.67,-4.49,;-1.2,-4.01,;-.3,-5.26,;-1.2,-6.5,;-.43,-7.83,;-2.67,-6.03,;2.67,3.21,;4,2.44,;2.67,4.75,;4,5.52,;4,7.06,;5.33,7.83,;6.67,7.06,;6.67,5.52,;5.33,4.75,;8,7.83,;8,9.37,;9.34,10.14,;10.42,9.06,;10.88,10.14,;9.34,11.68,;1.33,5.52,;1.01,7.03,;-.52,7.19,;-1.29,8.53,;-1.14,5.79,;,4.75,)|
47108 COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
47109 CCCC1=NC=CC1c1cc(ccc1S(C)(=O)=O)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1 |c:5,t:3|
47110 CC(C)(C)c1nccc(n1)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1
47111 CC(C)(C)c1cc(ccn1)-c1cnc(NC(=O)N2CCCC2C(N)=O)s1
47112 CC(C)(C)c1nccc(n1)-c1cnc(NC(=O)N2CC3CC3C2C(N)=O)s1
47113 CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccc(F)cc2)cc1=O
47114 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)Nc1cc(NC(C)=O)ccc1OC
47115 CC1(CC1)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@]2(C)C(N)=O)s1 |r|
47116 CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(Oc4cc(Cl)ccc34)C(F)F)cccc12
47117 N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cncc(c2)-c2cccnc2)c1
47118 OC(=O)CCc1ccc(o1)-c1ccc(Br)cc1
47119 C[C@H](N1CC[C@@](CCCNS(C)(=O)=O)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
47120 CCn1cccc(-c2ccc(cc2)[C@H](C)N2CC[C@@](CCCO)(OC2=O)c2ccc(F)cc2)c1=O |r|
47121 CN([C@@H]1CCCNC1)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
47122 CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
47123 CC[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC)c1 |r|
47124 Cc1nc2ccc3nc(NC(=O)c4ccc5OCCOc5c4)sc3c2s1
47125 NC(=O)c1ccc(cn1)-c1cccnc1O[C@@H]1C[C@@H](C1)Nc1ccc2ccccc2n1 |r,wD:16.17,18.22,(-4.94,5,;-6.28,4.23,;-7.61,5,;-6.28,2.69,;-4.94,1.93,;-4.94,.38,;-6.28,-.38,;-7.61,.38,;-7.61,1.93,;-6.28,-1.93,;-7.61,-2.69,;-7.61,-4.23,;-6.28,-5,;-4.94,-4.23,;-4.94,-2.69,;-3.61,-1.93,;-2.28,-2.69,;-.79,-2.3,;-.39,-3.78,;-1.88,-4.18,;.94,-4.55,;2.28,-3.78,;2.28,-2.24,;3.61,-1.47,;4.94,-2.24,;6.28,-1.47,;7.61,-2.24,;7.61,-3.78,;6.28,-4.55,;4.94,-3.78,;3.61,-4.55,)|
47126 COC(=O)N1CCC(CC1)c1nccnc1O[C@@H]1C[C@@H](C1)Nc1nc2ccccc2s1 |r,wD:19.23,17.18,(-.43,-2.36,;-1.77,-1.59,;-3.1,-2.36,;-4.43,-1.59,;-3.1,-3.9,;-1.77,-4.67,;-1.77,-6.21,;-3.1,-6.98,;-4.43,-6.21,;-4.43,-4.67,;-3.1,-8.52,;-4.43,-9.29,;-4.43,-10.83,;-3.1,-11.59,;-1.77,-10.83,;-1.77,-9.29,;-.43,-8.52,;.9,-9.29,;2.39,-8.89,;2.79,-10.37,;1.3,-10.77,;4.12,-11.14,;5.45,-10.37,;5.62,-8.84,;7.13,-8.53,;7.9,-7.19,;9.44,-7.2,;10.21,-8.53,;9.43,-9.86,;7.89,-9.86,;6.86,-11,)|
47127 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3cccc(Cl)c3F)c2)=C(C1)c1ccc(Cl)cc1 |c:56|
47128 Oc1cc(Sc2nnc(o2)-c2ccccc2)c(O)n1-c1ccccc1
47129 CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(O)c1C)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:47|
47130 CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1Cl)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:46|
47131 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3C(F)(F)F)c2)=C(C1)c1ccc(Cl)cc1 |c:67|
47132 CC(C)(C)OC(=O)Oc1cc(ccc1C(=O)NS(=O)(=O)c1ccc(NCC2CCOCC2)c(c1)[N+]([O-])=O)N1CCc2c(C1)cccc2N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |t:57|
47133 COc1cccc(C2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2c2cc(C)on2)c1OC
47134 O=C1CC(c2cccs2)C(C#N)=C2SCN(Cc3ccccc3)CN12 |t:12|
47135 CC1(C)CC(C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC4(F)CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1
47136 Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(F)cc1
47137 O=C(NS(=O)(=O)N1CCC1)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(c1)C1CC1 |TLB:19:20:17.18.23:24,23:18:25:22.24.21,23:22:25:17.18.19,THB:19:18:24:20.25.21|
47138 CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCC2)cc1F
47139 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F
47140 Fc1cc(OCC2CCCCC2)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1
47141 Fc1cc(OCC2CCCCC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
47142 CC(C)Oc1cccc(c1)-c1nccnc1C1CN(C1)C(=O)c1nc2ccccc2[nH]1
47143 COC1CCN(CC1)c1nccnc1C1CN(C1)C(=O)c1nc2ccccc2[nH]1
47144 Cc1cccc2nc([nH]c12)C(=O)N1CC(C1)c1nccnc1-c1ccccc1
47145 O=C(N1CC(C1)c1nccnc1N1CCOCC1)c1nc2ccccc2[nH]1
47146 COc1cccc(n1)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
47147 Fc1cc(cc(c1)C(F)(F)F)-c1nccnc1C1CN(C1)c1ccc2ccccc2n1
47148 OCC1CCN(CC1)c1nccnc1C1CN(C1)c1cnc2ccccc2n1
47149 CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc(Oc3ccc(F)cc3)cn2)n1 |r|
47150 CCCc1noc(n1)[C@@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r|
47151 CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccs2)n1 |r|
47152 CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cnc3[nH]ccc3c2)n1 |r|
47153 CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cnc3[nH]ccc3c2)n1 |r|
47154 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(9.45,-14.09,;8.68,-12.75,;10.22,-12.75,;7.91,-11.42,;8.68,-10.09,;6.37,-11.42,;5.46,-10.17,;4,-10.65,;2.67,-9.88,;1.33,-10.65,;1.33,-12.19,;-0,-12.96,;-0,-14.5,;1.33,-15.27,;1.33,-16.81,;-0,-17.58,;-1.34,-16.81,;-1.34,-15.27,;-0,-19.12,;-1.34,-19.89,;1.33,-19.89,;2.67,-19.12,;4,-19.89,;2.81,-20.08,;2.14,-21.01,;2.67,-22.2,;1.33,-21.43,;4,-21.43,;2.67,-12.96,;4,-12.19,;5.46,-12.67,;6.05,-13.75,;7.59,-13.75,;8.36,-15.08,;7.59,-16.42,;6.05,-16.42,;5.28,-15.08,;8.36,-17.75,;9.13,-19.08,;9.9,-17.75,;7.96,-19.24,)|
47155 Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(cc1)C(C)(C)C
47156 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4C)nc2n1C1CCCC1 |r|
47157 CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
47159 [H]C12CCC(C)(C(=O)N(CSC(=S)NN=Cc3ccccc3O)C1=O)C2(C)C |w:14.13,TLB:7:6:25:3.2,THB:24:23:25:3.2|
47161 COc1ccc(cc1)-c1c2CCCc2nc2sc(C(=O)Nc3ccccc3)c(N)c12
47162 Cc1c(C)c2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC1COc2ccccc2C1
47163 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)C(N)CC(C)C)c2ccccc12 |t:13|
47164 Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O
47165 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1cn(CCCO)c2ccccc12 |t:13|
47166 Cn1c(n[nH]c1=S)-c1sc2cc(cnc2c1-c1cccnc1)C(F)(F)F
47167 COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
47168 OC(=O)c1cccc(CNC(=O)Cc2nc3ccc(cc3s2)-c2ccccc2)c1
47169 O=C(CNC(=O)Cc1nc2ccc(cc2s1)-c1ccccc1)NCC#N
47170 CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2CCCC[C@H]2C#N)cc1 |r|
47171 NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
47172 C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)C)cc1 |r|
47173 CC(=O)C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1
47174 CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
47175 Oc1ccc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)cc2O)cc1
47176 COCOc1cc(O)ccc1\C=C\C(=O)CC(=O)\C=C\c1ccc(O)cc1
47177 CC(=O)N1CCC(CCC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(cc2)C(N)=N)CC1 |r|
47178 NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCc2ccncc2)NS(=O)(=O)Cc2ccccc2)cc1 |r|
47179 COc1ccc(Cl)cc1-c1n[nH]c(=S)n1CC=C
47180 COCCN(C)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1
47181 CN(CC(Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1)c1ccccc1)C1CCN(C)CC1
47182 CC[C@@H](F)C1CNC[C@@H](O)[C@@H]1O
47183 CCc1cccc(CC)c1NC(=O)c1cn(C)c-2c1CCCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21
47184 FC(F)Oc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2OC3(CCSCC3)Oc12
47185 [O-][n+]1cc(Cl)c(NC(=O)c2ccc(OC(F)F)c3OC4(CCS(=O)(=O)CC4)Oc23)c(Cl)c1
47186 CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)s2)s1)c1ccccc1 |r|
47187 N[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](N)c3ccccc3)s2)s1)c1ccccc1 |r|
47188 CCN1CCN(CC1)C(=O)CSc1cc(=O)n(CC)c2ccccc12
47189 O=CO[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](OC=O)c3ccccc3)s2)s1)c1ccccc1 |r|
47190 O[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)s1)c1ccccc1 |r|
47191 O[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](O)c3ccccc3)s2)s1)c1ccccc1 |r|
47192 CN(C)[C@H](Cc1ccccc1)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](Cc3ccccc3)N(C)C)s2)s1 |r|
47193 Cc1cc2ccccc2n1CCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
47194 O[C@H](CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C[C@@H](O)c3ccccc3)s2)s1)c1ccccc1 |r|
47195 O[C@@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@H](O)c3ccccc3)s2)s1)c1ccccc1 |r|
47196 CC(=O)N[C@@H](C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@H](NC(C)=O)c3ccccc3)s2)s1)c1ccccc1 |r|
47197 CS(=O)(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
47198 OC[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)[C@@H](CO)NC(=O)CCc3ccccc3)s2)s1 |r|
47199 CCC(O)(C(=O)Nc1nnc(CCSCCc2nnc(NC(=O)C(O)(CC)c3ccccc3)s2)s1)c1ccccc1
47200 CCC(O)(C(=O)Nc1nnc(CCCCc2nnc(NC(=O)C(O)(CC)c3ccccc3)s2)s1)c1ccccc1
47202 CO[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](OC)c3ccccc3)s2)s1)c1ccccc1 |r|
47203 CN(C)CCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(Br)c1
47204 O[C@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(F)c3)s2)s1)C(O)=O |r|
47205 O[C@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)C(O)=O)s2)s1)C(O)=O |r|
47206 O[C@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)Cc3ccccc3)s2)s1)Cc1ccccc1 |r|
47207 N[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](N)c3ccccc3)s2)s1)c1ccccc1 |r|
47208 CC1(C)C[C@H]([C@@H](C1)c1ccccc1)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3OC(C)(C)O[C@H]3c3ccccc3)s2)s1 |r|
47209 CC1(C)O[C@H]([C@@H](O1)c1ccccc1)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3OC(C)(C)O[C@H]3c3ccccc3)s2)s1 |r|
47210 O[C@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@@H](O)[C@H](O)c3ccccc3)s2)s1)[C@H](O)c1ccccc1 |r|
47211 Cc1cc(SCC(=O)c2ccc3OCOc3c2)nc2ccccc12
47212 CCc1cc2c([nH]c(=S)n(-c3ccccc3)c2=O)s1
47213 O[C@@H](CC(=O)Nc1nnc(CCCCc2nnc(NC(=O)C[C@H](O)[C@@H](O)c3ccccc3)s2)s1)[C@@H](O)c1ccccc1 |r|
47214 O=C(CN1[C@@H](COC1=O)c1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)CN3[C@@H](COC3=O)c3ccccc3)s2)s1 |r|
47215 C[C@@H](O)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 |r|
47216 O[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1cccc(Cl)c1 |r|
47217 O[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1ccccc1 |r|
47218 O[C@@H](C(=O)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1)c1cc(F)cc(F)c1 |r|
47219 CCOC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1
47220 O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc(OCCN4CCOCC4)c3)s2)s1
47221 C[C@@](O)(C(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1)C(F)(F)F |r|
47222 Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1
47223 OCCCOc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)Cc4ccccc4)nn3)s2)c1
47224 CCc1[nH]cc2[C@@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
47225 O=C(Cc1ccccc1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)o2)o1
47226 O=C(Cc1cccnc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3cccnc3)s2)s1
47227 O=C(Cc1cccc2cnccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4cnccc34)s2)s1
47228 O=C(Cc1cccc2[nH]ncc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4[nH]ncc34)s2)s1
47229 O=C(Cc1cccc2ncccc12)Nc1nnc(CCCCc2nnc(NC(=O)Cc3cccc4ncccc34)s2)s1
47230 CCCCS(=O)(=O)Cc1cccc(CC(=O)Nc2ccc(CCCCc3nnc(NC(=O)Cc4ccccc4)s3)nn2)c1
47231 CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12
47232 CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(\C)=C\CN(C)C)c3)c12
47233 CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ncco3)c12
47234 Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)NC[C@H](O)c1ccccc1 |r|
47235 CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(C3CCOCC3)c12
47236 CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3nnc(C)o3)c12
47237 CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cnco3)c12
47238 COc1cc(Nc2ncc3CN=C(c4c(F)cccc4OC)c4c(Cl)cccc4-c3n2)ccc1C(O)=O |t:11|
47239 OCC1C2CCC(C2)C1NCc1cccc(n1)-c1ccc(cc1)C(F)(F)F |TLB:9:8:4.5:7,THB:1:2:4.5:7|
47240 CC(CCO)CNCc1nc(ccc1F)C1CC2CCC1C2 |THB:10:15:18.19:21|
47241 OCC1C2CCC(C2)C1NCc1cccc(n1)-c1ccc(cc1)C(F)(F)F |TLB:9:8:5.4:7,THB:1:2:5.4:7|
47242 Cc1cc(Br)c2nc3CCCCCc3c(C(O)=O)c2c1
47243 CC(O)CC(C)CNCc1cccc(OC(C)(C)C)n1
47244 CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=CCC(=O)c2cccc3ccccc23)s1 |w:16.16|
47245 COc1ccc(CC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
47246 O=C1NN(C(=O)\C1=C\c1ccc(Sc2cccc3ccccc23)o1)c1ccccc1
47247 OC[C@@H](NCc1nc(ccc1F)-c1ccc(cc1)C(F)(F)F)C1CC1
47248 CC(CCO)CNCc1ccc(F)c(n1)-c1ccc(OCC(F)(F)F)nc1
47249 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)nc1
47250 CCOC(=O)CSc1c([nH]c2ccccc12)-c1cccs1
47251 CC(CCO)CNCc1nc(ccc1F)N1Cc2ccccc2C1
47252 CC(O)CC(C)CNCc1nc(ccc1F)C1CCCCC1
47253 C[C@@H](O)[C@H](Nc1ccc2ccccc2c1)C(=O)NCc1ccc(F)c(n1)-c1ccc(nc1)C(F)(F)F
47254 OC[C@@H](NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)c1ccccc1
47255 OC(CNCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)C1COC1
47256 OC(CNCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)C1CCOCC1
47257 Cc1nn(C)cc1CNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccc(C)cc1
47258 OCC1C2CCC(C2)[C@H]1NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F |TLB:9:8:4.5:7,THB:1:2:4.5:7|
47259 CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCc12
47260 OCC1C2CCC(C2)[C@@H]1NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F |TLB:9:8:4.5:7,THB:1:2:4.5:7|
47261 CC(C)(O)[C@H](CO)NCc1ccnc(n1)-c1ccc(OCC(F)(F)F)nc1
47262 CC(C)[C@H](NCc1nc(ccc1F)C1CCCCCC1)C(C)O |r|
47263 CC(C)[C@@H](CO)NCc1nc(ccc1F)-c1ccc2scnc2c1 |r|
47264 Cc1c(O)c2C(=O)N(C(=O)c3cccc(c1O)c23)c1ccccc1
47265 CC(C)[C@@H](CO)NCc1nc(CCc2ccc(F)c(F)c2)ccc1F |r|
47266 CC(C)[C@@H](CO)NCc1nc(ccc1F)-c1ccc(Cl)s1 |r|
47267 CCCCOc1ccc(cc1Cl)-c1cccc(CN[C@H](CO)C(C)C)n1 |r|
47268 CC(=O)Oc1c(\C=C(/C#N)C(N)=O)[nH]c2ccccc12
47269 OCC1(CCCC1)NCc1cccc(n1)-c1ccc(cc1C(F)(F)F)C(F)(F)F |@:2|
47270 CSc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O
47271 CSc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1
47272 OCC1(CCCC1)NCc1cccc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |@:2|
47273 CC(C)[C@@H](CO)NCc1nc(ccc1F)-c1ccc(s1)C(F)(F)F |r|
47274 Clc1cccn2nc(CSc3nc(cn3CCN3CCOCC3)-c3ccccc3)nc12
47275 CC[n+]1c(\C=C\c2ccc(cc2)N(C)C)ccc2ccccc12
47276 Cc1cccn2nc(CCc3nc(cn3CCN3CCOCC3)-c3ccccc3)nc12
47277 COc1ccc(nc1-c1cccc(C)c1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47278 CN1CCN(CCn2cc(nc2CCc2nc3cccc(C)n3n2)-c2ccccc2)C1=O
47279 O=C(Nc1cccnc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
47280 Cc1cccc(c1)-n1c(n[nH]c1=S)-c1ccco1
47281 Cc1cccc2nc(CCc3nc(cn3CCCC3CCCNC3)-c3ccccc3)nn12
47282 CC(C)N(CCn1cc(nc1CCc1nc2cccc(C)n2n1)-c1ccccc1)C(C)C
47283 Cc1cccc2nc(CCc3nc(cn3CCC3CCCCN3)-c3ccccc3)nn12
47284 Oc1cc2oc(=O)c3ccccc3c2cc1Cl
47285 CN1CCN(CCn2cc(nc2CCc2nc3nc(C)cc(C)n3n2)-c2ccccc2)C1=O
47286 Cc1ccc(cc1)S(=O)(=O)Nc1cnn(-c2ccccc2)c(=O)c1Cl
47287 CCCn1cc(nc1CCc1nc2nc(C)cc(C)n2n1)-c1ccccc1
47288 CC(O)Cn1cc(nc1CCc1nc2nc(C)cc(C)n2n1)-c1ccccc1
47289 C[C@@H](O)Cn1cc(nc1CCc1nc2nc(C)cc(C)n2n1)-c1ccccc1 |r|
47290 Cc1cc(C)n2nc(CCc3nc(cn3CC(C)(C)O)-c3ccccc3)nc2n1
47291 Oc1cccc(c1)C(=O)NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
47292 Cc1cc(C)n2nc(CCc3nc(cn3C)-c3ccc(F)cc3F)nc2n1
47293 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccccc1Br |t:1|
47294 COc1ccccc1-c1cn(C)c(CCc2nc3nc(C)cc(C)n3n2)n1
47295 CC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
47296 CCc1cnc(C)n2nc(CCc3nc(cn3C)-c3ccccc3)nc12
47297 CNC(=S)N1N=C(CC1c1ccc(cc1)N(C)C)c1ccc(Br)cc1 |c:5|
47298 CCC(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
47299 CN(C)c1ccc(C=CC=C2C(=O)NC(=O)N(C2=O)c2ccccc2)cc1 |w:7.6,9.8|
47300 Cc1ccc(C)c(c1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
47301 Cn1c(=S)[nH]c2-c3ccccc3CC(C)(C)c2c1=O
47302 COc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc12
47303 Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1Cl
47304 O=C(C1C(N(CCc2ccccc2)C(=O)C1=O)c1ccncc1)c1cc2ccccc2o1
47305 Cc1cccc(NC(c2ccc(cc2)C(F)(F)F)c2ccc3cccnc3c2O)n1
47306 CNC(=O)NC(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
47307 Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccc(cc1)C(F)(F)F
47308 COc1ccc2nc(SC)c(cc2c1)C#N
47309 Cc1sc(NC(=S)Nc2ccc(F)cc2)c(C(N)=O)c1C
47310 Cc1cc(Cl)cnc1NC(c1ccc2cccnc2c1O)c1c(F)c(F)c(OCC(F)(F)F)c(F)c1F
47311 Clc1ccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)cc1
47312 CC(C)OC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
47313 Cc1ccccc1[C@H](CC(O)=O)NC(=O)C1=CC=CC(N1)N1CCCCC1 |c:18,t:16|
47314 COc1cc(cc(n1)-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47315 COc1cc(cc(n1)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47316 COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
47317 Clc1cccc(-c2ccc(\C=N\c3ccc(cc3)N3CCOCC3)o2)c1Cl
47318 COc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1
47319 COc1ccc(nc1-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
47320 Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(OCC=C)cc1
47321 COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
47322 NS(=O)(=O)c1ccc(CNC(=O)c2cc(nc3ccc(Cl)cc23)-c2ccccn2)cc1
47323 COc1ccc(nc1-c1ccc(F)nc1OC)C(=O)N[C@@H](CC(O)=O)c1ccc(C)cc1
47324 COc1ccc(nc1-c1cccnc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47325 COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47326 COc1ccc(nc1)-c1ccc(nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47327 COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47328 COc1ccc(nc1-c1cccnc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47329 COc1ccc(nc1-c1cc(C)cnc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47330 COc1ccc(nc1-c1ccnc(c1)N1CCOCC1)C(=O)N[C@@H](CC(O)=O)c1ccccc1F
47331 COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47332 COc1ccc(nc1-c1cc(F)ccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47333 COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47334 COc1ccc(nc1-c1ccnc(c1)N1CCOCC1)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47335 COc1ncc(cc1-c1cccc(Cl)c1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47336 COc1ncc(cc1-c1cccc(c1)C#N)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47337 COc1ccc(nc1-c1ccncc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47339 COc1ccc(nc1-c1ccc(F)nc1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47340 COc1ccc(nc1-c1cccnc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47341 CCN(CC)CCCNC(=O)CSc1c2CCCCc2nc2cc(Cl)ccc12
47342 FC(F)(F)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1cccs1
47343 COc1ccc(nc1-c1cccnc1OC)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47344 COc1ccc(nc1-c1cc(C)cnc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47345 COc1ccc(nc1-c1cc(C)ncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C
47346 Brc1cnn(-c2ccccc2)c(=O)c1Br
47347 COc1ccc(nc1-c1cc(C)cnc1Cl)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47348 CSc1ccccc1-c1nnc(S)o1
47349 COc1ccc(nc1-c1ccncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47350 COc1ccc(nc1-c1cc(C)nc(c1)N1CCOCC1)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl
47351 Cc1ccccc1[C@H](CC(O)=O)NC(=O)C1=CC=NC(C1)N1CCCCC1 |c:18,t:16|
47353 CN1C(=N)N[C@@](C)(CS1(=O)=O)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r|
47354 CC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2c1cc(F)cc2F)-c1ccc(F)cc1 |r|
47355 CC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2c1cc(Cl)cc2Cl)-c1cccc(n1)C(F)(F)F |r|
47356 CC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2c1cc(Cl)cc2F)-c1ccc(F)cc1 |r|
47357 CC(=O)N1CCc2c(C1)c(nn2[C@@H]1[C@@H](O)Cc2c1cc(F)cc2F)-c1cccc(c1)C#N |r|
47358 CN(C)c1ccc(\C=C\c2ccc3c(ccc4ccccc34)[n+]2-c2ccccc2)cc1
47359 CC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2c1cc(F)cc2F)-c1cccc(F)c1 |r|
47360 CC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2c1cc(F)cc2F)-c1ccc(Cl)cc1 |r|
47361 CC(=O)N1CCc2c(C1)c(nn2[C@H]1[C@H](O)Cc2cc(Cl)cc(Cl)c12)-c1ccc(F)cc1 |r|
47362 COc1ccc(cc1)-c1nn([C@H]2[C@H](O)Cc3c2cc(F)cc3F)c2CCN(Cc12)C(C)=O |r|
47363 Cc1ccc(cc1)C1CNCc2cc(ccc12)-c1cccnn1
47364 Fc1cc2C(CNCc2cc1-c1ccc(=O)[nH]n1)c1ccc(Cl)c(Cl)c1
47365 COc1ccccc1-c1nc(no1)-c1cccc(c1)[N+]([O-])=O
47366 Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
47367 Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14|
47368 COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1
47369 CCOc1ccc(Nc2nc(cs2)-c2ccccn2)cc1
47370 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
47371 CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NC(CC(O)=O)CC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r|
47372 CC(O)(C#Cc1cc2-c3nc(cn3CCOc2cc1F)C(N)=O)C(F)(F)F
47373 COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1N1CCOCC1
47374 [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:6,8|
47375 COc1cc(ccc1O)C(=O)N\N=C\c1ccc(OC)c(CN2CCN(CC2)c2ccc(F)cc2)c1
47376 COC(=O)c1ccc(cc1)C(N(Cc1ccccc1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
47377 [#6]-c1[n-]n(-c2ccc(cc2)-[#7+](-[#8-])=O)c(=O)c1\[#6]=[#7+](\[#6])-[#6]
47378 [O-][N+](=O)c1ccccc1-c1nc(no1)-c1ccc(Br)o1
47379 CN(C)c1ccc(c(NC(=O)c2cccs2)c1)P(=O)(Nc1cccc(c1)C(F)(F)F)N1CCOCC1
47380 O=C(COc1ccc(cc1)-c1ccc(cc1)C#N)NCCc1ccccc1
47381 CCOC(=O)c1c(NC(=O)CSc2ncccn2)sc2CN(Cc3ccccc3)CCc12
47382 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)C
47383 CCN(CC)P(=O)(Nc1cccc(c1)C(F)(F)F)c1ccc(cc1NC(=O)c1ccco1)N(C)C
47384 COc1cccc(c1O)-c1nc(N2CC(C)CC(C)C2)c2ccccc2n1
47385 Cc1c(CCc2ccncc2)n2ccccc2c1C(=O)Nc1ccc(F)cc1
47386 [O-][N+](=O)c1cc(ccc1N1CCCC1)C(=O)OCc1ccc(cc1)C#N
47387 COc1ccc(\C=N\NC(=O)c2ccccc2F)cc1CN1CCN(CC1)c1ccc(F)cc1
47388 Cc1cc(C)n(n1)-c1ccc(Cl)c(n1)C(=O)Nc1cc(ccc1Cl)C(F)(F)F
47389 COc1ccc(cc1)-c1nn(cc1\C=C\C(=O)N1CCN(CC1)c1ccccn1)-c1ccccc1
47390 CCOc1ccc(NC(=O)c2cccc3CN(CCOC)C(=O)c23)cc1
47391 CCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
47392 CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(cc1)N(C)C)c1ccccc1
47393 OCCNc1nc(Cl)nc(Nc2ccc(cc2)[N+]([O-])=O)n1
47394 Cc1cc(C)c(C#N)c(SCc2c(F)cccc2[N+]([O-])=O)n1
47395 COc1ccc2cc(sc(=O)c2c1OC)C(=O)OC(C)C
47396 Oc1cccc2c(OC(=O)c3ccccc3)cccc12
47397 CCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
47398 C#CCSc1nsc(SCC#C)c1C#N
47399 Clc1c(sc2ccccc12)C(=O)NC1CS(=O)(=O)C=C1 |c:20|
47400 COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)c1
47401 Cc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(c1)-c1ccccc1
47402 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O
47403 FC(F)(F)C(=O)Nc1cccc2c3ccccc3[nH]c12
47404 CCCOc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
47405 Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCl
47406 COC1(OC)C(\C=C/c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC
47407 CCOc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
47408 Cc1nc(c(Br)n1CC(=O)c1ccc2ccccc2c1)[N+]([O-])=O
47409 CC(C)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc2ccccc2c1
47410 COc1ccccc1-c1nnc(Sc2nc(nn2C)[N+]([O-])=O)o1
47411 Cc1ccccc1CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
47412 Cc1cccc(CS(=O)(=O)c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1
47413 COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2C1CCCCC1 |t:11|
47414 Cc1cc(SCC(=O)NN=Cc2ccc(O)c(O)c2)c(C)cc1Br |w:9.8|
47415 CCCn1c(CC)nc(c1S(=O)(=O)c1ccccc1)[N+]([O-])=O
47416 COc1ccc(N2CCc3c2c2cc(OC)cc(OC)c2nc3C)c(OC)c1
47417 CN(C)c1ccc(\C=C(/C)[N+]([O-])=O)cc1
47418 Cc1[nH]c(=O)c(C(=O)\C=C\c2ccccc2F)c2CCCCc12
47419 COc1cccc(c1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
47420 COC(=O)Oc1ccc(\C=C\C(=O)OC)cc1OC(=O)OC
47421 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NC(=O)CCl |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
47422 Cc1ccc(C)c(Sc2ccc(NC(=O)CCl)cc2)c1
47423 O=C1OC(CC=C1)\C=C\c1ccccc1 |c:5|
47424 Oc1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1O |w:7.6|
47425 CC1CCCC(NC(=O)NC(=O)CCl)C1C
47426 Oc1ccc(\C=C\C(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1O
47427 [#6]-1-[#6]\[#6](-[#6]-[#6]-[#7]-1)=[#6]-1\c2ccsc2-[#16]-[#6]-c2ccccc-12
47428 COc1ccc(cc1)-c1cnc2c(CCC2(C#N)C#N)c1
47429 Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O
47430 Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
47431 CC1CCN(CCCNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)CC1
47432 Cc1cc2[nH+]c3c(cn(C)c4ccccc34)c2cc1C
47433 CC1CCCN(CCCNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)C1
47434 Oc1ccc(Cl)cc1\N=C\c1sc2ccccc2c1Cl
47435 Cc1nc2ccccc2c(O)c1C(=O)C=Cc1ccccc1 |w:14.15|
47436 COc1ccc(cc1)-c1cc(n[nH]1)-c1cc(C)ccc1O
47437 C(N1CCCCCC1)c1c[nH]c2ccccc12
47438 Cc1cccc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
47439 Cc1ccc2nc(C)cc(Nc3ccc(cc3)[N+]([O-])=O)c2c1
47440 Cc1nc(c(Br)n1Cc1ccc(Cl)c(Cl)c1)[N+]([O-])=O
47441 COC(=O)COc1cccc2c1ccn(CC(=O)NCc1ccc(F)cc1)c2=O
47442 CNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
47443 FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
47444 CCCCn1c2ccccc2n(CC(=O)c2ccc(Br)s2)c1=N
47445 [O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
47446 ClCC(=O)NCc1cc(no1)-c1ccc(Cl)cc1
47447 Cc1ccc(Cn2ccsc2=NC(=O)CCl)cc1 |w:11.12|
47448 ClCC(=O)N=c1sccn1Cc1ccc(Cl)cc1Cl |w:4.3|
47449 ClCC(=O)N(C\C=C\c1ccccc1)c1ccc2OCCOc2c1
47450 CC(C)(C)c1cc(NC(=O)CCl)n(n1)-c1ccccc1
47451 CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)NCCc1ccc(O)c(O)c1
47452 ClCC(=O)N=c1sccn1Cc1cccc2ccccc12 |w:4.3|
47453 [#6]-c1ccc(-[#7]-[#6](=O)-[#6](=[#6]/c2ccc(cc2)-[#6](-[#8])=O)\[#6](=O)-[#7]-c2ccc(-[#6])cc2-[#6])c(-[#6])c1
47454 Cc1cccc(c1)N(Cc1ccccc1)C(=O)CCl
47455 ClCC(=O)N=c1sccn1Cc1ccccc1Cl |w:4.3|
47456 Oc1ccc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1O |w:6.6|
47457 CCCC(=O)N(C1CC(C)C(C#N)(C#N)C1(C#N)C#N)N(C)C
47458 COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12
47459 CCCCCCN(C(=O)CCl)c1ccccc1
47460 Oc1ccccc1OCCOc1ccccc1OCCOc1ccccc1O
47461 Cn1c(Cl)cnc1\C=C\C(=O)c1ccccc1O
47462 Oc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1 |t:6|
47463 Clc1cc(cnc1Cl)S(=O)(=O)N1CCc2ccccc12
47464 Cc1ccc(Nc2nc(N)nc(CCl)n2)cc1
47465 COc1ccc(Nc2nc(N)nc(CCl)n2)cc1
47466 Cc1nn2c(NCc3ccccn3)c3CCCc3nc2c1-c1ccccc1
47467 COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1
47468 C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
47469 O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1
47470 OC(=O)c1[nH]c(=O)[nH]c(=O)c1F
47471 CCOc1ccc(Nc2nc(N)nc(CCl)n2)cc1
47472 Nc1nc(CCl)nc(n1)N(c1ccccc1)c1ccccc1
47473 CC(C)(C)C(=O)Cc1nc2cc(Cl)ccc2oc1=O
47474 Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1
47475 CCN(CC)S(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:19.20|
47476 Cc1cccc(Nc2nc(N)nc(CCl)n2)c1C
47477 Clc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
47478 COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
47479 COc1cccc(F)c1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
47480 COc1ccccc1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
47481 COc1cc(\C=C2/COC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
47482 Cn1c(SCC(=O)c2ccc3OCOc3c2)nnc1C1COc2ccccc2O1
47483 CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Cl)cc2Cl)C(C#N)C1c1ccco1 |c:3,t:6|
47484 COc1cccc(C2CN(N=C2c2cccs2)c2ccc(F)cc2F)c1OC |c:10|
47485 Cc1cccc(c1)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
47486 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(\C=C2/C(=O)NC(=O)N(C)C2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;14.83,-1,;13.58,-.1,;16.23,-.38,;17.48,-1.28,;18.89,-.66,;17.32,-2.81,;18.56,-3.72,;15.91,-3.44,;15.75,-4.97,;10.55,-2.73,;10.07,-4.2,)|
47487 COc1ccc(cc1OC)-c1c2CCc3ccccc3-c2nc(N)c1C#N
47488 N\C(S)=c1\cc2C=CC(=O)C=c2oc1=O |c:6,10|
47489 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=O)c1C |(6.1,4.59,;7.13,3.44,;6.65,1.97,;7.68,.83,;9.19,1.15,;7.2,-.64,;5.75,-1.1,;4.41,-.33,;3.08,-1.1,;3.08,-2.64,;4.41,-3.41,;5.75,-2.64,;7.2,-3.11,;8.1,-1.87,;9.64,-1.87,;10.55,-.63,;10.07,.84,;12.01,-1.1,;12.01,-2.64,;13.26,-3.55,;14.67,-2.92,;10.55,-3.12,;10.07,-4.59,)|
47490 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
47491 COC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=O)c1C |(7.13,4.01,;6.65,2.55,;7.68,1.4,;9.19,1.72,;7.2,-.06,;5.75,-.53,;4.41,.24,;3.08,-.53,;3.08,-2.07,;4.41,-2.84,;5.75,-2.07,;7.2,-2.54,;8.1,-1.3,;9.64,-1.3,;10.55,-.06,;10.07,1.41,;12.01,-.53,;12.01,-2.07,;13.26,-2.98,;14.67,-2.35,;10.55,-2.55,;10.07,-4.01,)|
47492 CCNC(=O)NC(=O)C(C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl
47493 Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
47494 COc1ccc(cc1)C1CC(=NN1c1ccc(C=O)cc1)c1cccs1 |c:11|
47495 Cc1cc(C)nc(N=NCc2ccc(cc2)N2CCOCC2)n1 |w:8.8|
47496 CCN(c1ccccc1)S(=O)(=O)c1cc(ccc1N)[N+]([O-])=O
47497 COc1ccc(cc1)C1CC(=NN1c1ccccc1)c1cccs1 |c:11|
47498 O=Cc1cccn1-c1sc2CCCCc2c1C#N
47499 Clc1ccc(\C=C/c2nccc3c4ccccc4[nH]c23)cc1
47500 Clc1ccccc1-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O |(4.49,-1.6,;5.83,-2.35,;5.85,-3.89,;7.19,-4.65,;8.51,-3.86,;8.5,-2.32,;7.15,-1.57,;7.14,-.03,;8.51,.8,;9.85,.03,;11.18,.8,;12.56,-.03,;13.95,.76,;13.95,2.37,;12.56,3.16,;11.18,2.34,;9.85,3.11,;9.85,4.65,;8.51,2.34,;7.14,3.16,;5.74,2.37,;4.41,3.14,;3.08,3.92,;5.74,.76,;4.41,-.01,)|
47501 CNC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
47502 O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1
47503 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1)C(=O)OCc1ccccc1
47504 CNC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
47505 CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)OCC(=O)NC(=O)NCc1ccco1
47506 Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:8|
47507 CCCN(CCC)c1ccc(C=Cc2ccc3cc(OCC)ccc3n2)cc1
47508 CC(NNC(N)=S)=c1cc2C=CC(=O)C=c2oc1=O |w:1.0,c:10,14|
47509 [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
47510 Cc1ccc(cc1)-c1ccc(C=NNC(N)=S)o1 |w:12.13|
47511 Fc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc3OCOc3c2)n1
47512 Cc1ccc(cc1)C(=O)CSc1nnc(COc2cccc3cccnc23)o1
47513 O=C(CSc1nnc(CNc2ccccc2)o1)c1ccc2OCCOc2c1
47514 C(Nc1nc2nonc2nc1NCc1ccco1)c1ccco1
47515 CC(N(Cc1ccco1)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C(=O)NC(C)(C)C
47516 COn1c(SC2CCCCC2)nc2ccccc2c1=O
47517 Cc1nc(nc2CCCC(=O)c12)N1CCN(Cc2ccccc2)CC1
47518 CCc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2cccnc2)c(C)o1
47519 Brc1c(OCC(=O)Nn2cnnc2)ccc2ccccc12
47520 Fc1ccc(CNc2oc(COc3ccccc3F)nc2C#N)cc1
47521 COc1cccc(c1)C1N(CCCN2CCOCC2)C(=O)c2oc3ccc(F)cc3c(=O)c12
47522 Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccccc1C
47523 CC(C)c1ccc(NC(=O)c2cnn(c2NC(=O)c2ccco2)-c2ccccc2)cc1
47524 O=C(CSC1=NCCS1)Nc1nc(cs1)-c1ccccc1 |t:4|
47525 NC1=NC(SCc2ccccc2)=C(C#N)C2(CCCCC2)C1C#N |t:1,12|
47526 CC(C)CC(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1Cc1cccs1
47527 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(Cl)c(Cl)c1)c1c(C)[nH][nH]c1=O
47528 COc1ccc(cc1)-c1nnc(o1)-c1ccc(OCC(C)C)cc1
47529 CC(C)CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
47530 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
47531 N#C\C(=C/c1cn(nc1-c1cccnc1)-c1ccccc1)c1nnc2CCCCCn12
47532 CCOC(=S)N=C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 |w:5.4|
47533 Cc1cccc(NC(=S)NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)c1C |w:10.9|
47534 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1
47535 Brc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
47536 Clc1ccc2sc(SCC(=O)Nc3cccc(c3)S(=O)(=O)N3CCOCC3)nc2c1
47537 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
47538 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1cccnc1)c1ccccc1)C(=O)Nc1ccc2ccccc2c1
47539 CCc1ccc(cc1)-n1c(SCC(=O)c2ccc3OCC(=O)Nc3c2)nc2ccccc2c1=O
47540 Fc1cccc(c1)C(=O)Nc1ccn(Cc2ccccc2)n1
47541 Clc1ccccc1NC(=S)Nc1ccccn1
47542 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1csc(NC(=O)C(=O)NC)n1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
47543 Cc1ccc(cc1)N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccc(F)cc1
47544 CCOc1ccc(cc1)C(N(CCCO)C(=O)c1ccc([nH]1)-c1ccccc1)C(=O)NC1CCCC1
47545 COc1ccc(cc1)N(CC=C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)OCC(=O)NC1CC1
47546 OC(=O)c1c(NC(=O)\C=C\c2cccs2)scc1-c1ccccc1
47547 S=c1ccc2ccccc2[nH]1
47548 COc1cc(OC)c(C(=O)\C=C\c2ccccc2)c(O)c1O
47549 FC(F)(F)c1ccccc1C1=NOC(C1)C(=O)NCCCCc1ccccc1 |t:11|
47550 CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(C)o2)c1 |w:15.14|
47551 [H]C12C[C@H](NC(=S)NN=Cc3cc(Br)cc(Br)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
47552 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(O)=O)cc1
47553 COc1cccc(c1)C1CC(Nc2ncnn12)c1ccccc1
47554 Cc1cccc(c1)S(=O)(=O)c1c(N)n(N=Cc2cccnc2)c2nc3ccccc3nc12 |w:14.14|
47555 Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1cccs1 |w:14.16|
47556 COc1cc2CCn3c(cc(NC4CCCCCC4)nc3=O)-c2cc1OC
47557 COc1cc2CCn3c(cc(NC4CCCCCCC4)nc3=O)-c2cc1OC
47558 Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
47559 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(N)=O
47560 CSc1nc2ccc(NC(=O)C3CN(Cc4ccco4)C(=O)C3)cc2s1
47561 O=C(Cn1ccc2ccc(cc12)C#N)N1CCCc2ccccc12
47562 NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
47563 COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1cccc(F)c1
47564 COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(Br)cc1
47565 CCCc1nc2oc3c([nH]cnc3=O)c2c2CCCCc12
47566 O=C(NCc1cccnc1)c1cccn2c1nc1ccsc1c2=O
47567 Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
47568 COc1ccc(C=Nn2c(N)c(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1OC |w:7.7|
47569 CCOc1cccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c1
47570 Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12 |w:13.15|
47571 COc1ccc(cc1)-c1c2CCCc2nc2sc3c([nH]c(C)nc3=O)c12
47572 COCCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
47573 COCCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(OC)c(cc1OC)N1CCCC1
47574 O=C1N(CCc2c[nH]c3ccccc23)\C(S\C1=C/c1ccc(o1)N1CCOCC1)=N\c1ccccc1
47575 Clc1ccc(cc1)C(=O)Oc1c(Br)cc(cc1Br)C(=S)N1CCOCC1
47576 COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(o2)N2CCOCC2)C(=O)N1CCc1c[nH]c2ccccc12
47577 CCN1C(=S)S\C(=C/c2cc(C)n(C)c2C)C1=O
47578 Oc1ccc(CN=Nc2nc3ccccc3c(=O)[nH]2)cc1 |w:7.7|
47579 COC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:11.11|
47580 [#6]-[#6]-[#8]-c1ccc2-[#7](-[#6])-[#6](=O)-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1 |w:12.12|
47581 CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
47582 Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O
47583 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1[N+]([O-])=O |w:17.18|
47584 CCN(CC)c1ccc(\C=C(/C#N)C(=O)c2ccc(Br)cc2)cc1
47585 COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)cc1OC |w:7.7|
47586 CC(C)(C)NC(=O)CC\[N+]([N-][CH+]c1ccc(o1)[N+]([O-])=O)=C1\[N-]S(=O)(=O)c2ccccc12
47587 O=c1[nH]cc(C=NN=Cc2ccccc2)c(Nc2ccccc2)c1C#N |w:6.6,8.8|
47588 N=c1oc2ccc3ccccc3c2cc1-c1nc(cs1)-c1ccccc1
47589 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1 |w:17.18|
47590 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
47591 CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
47592 Fc1cccc(c1)-c1nnc2ccc(SCC(=O)N3CCCc4ccccc34)nn12
47593 O=C(CNC(=O)Cc1ccccc1)N\N=C1/C(=O)N(Cc2ccc3OCOc3c2)c2ccccc12
47594 CCOc1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1OCC
47595 CCOC1=CC(=Cc2sc(=O)[nH]c2N)C=CC1=O |w:6.6,c:15,t:3|
47596 NS(=O)(=O)c1ccc(CCN2C(=S)S\C(=C\c3ccc(Cl)cc3)C2=O)cc1
47597 Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1
47598 NC(=S)NNC1=c2cc(F)c(F)cc2=NC1=O |c:5,14|
47599 [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1 |w:8.8,c:18|
47600 CCN(CC)c1ccc(\C=C\C(=O)c2ccc(Br)cc2)cc1
47601 COc1cc(CN=Nc2ncnc3sc4CCCc4c23)ccc1O |w:7.7|
47602 Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
47603 COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O |w:5.4,c:17|
47604 COc1ccc(cc1)C(=O)NN=c1oc2ccccc2cc1C(N)=O |w:11.11|
47605 Cc1ccc(O)c(c1)\[NH+]=C\c1c[c-](Cc2ccccc2)cc([N+]([O-])=O)c1=O
47606 COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(c1)C(O)=O
47607 Oc1ccc(C=NNC(=S)NN=Cc2ccc(O)cc2)cc1 |w:6.6,11.10|
47608 COc1cc(cc(Br)c1O)C(=S)NCc1ccccc1
47609 COc1cccc(c1)N=Nc1c(N)[nH]n2c1nc1CCCCc1c2=O |w:9.10|
47610 OC(=O)c1cc(ccc1Cl)-c1ccc(C=C2NC(=O)N(C2=O)c2ccc(Cl)cc2)o1 |w:14.14|
47611 COc1ccc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C(O)=O
47612 Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)N4CCCc5ccccc45)nnc3c2c1
47613 COc1ccc2nc(C)cc(SCC(=O)NN=Cc3ccc(O)c(O)c3)c2c1 |w:16.15|
47614 Oc1cccc(NC(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)c1
47615 O=C(NN=Cc1ccco1)c1ccc(o1)C(=O)NN=Cc1ccco1 |w:3.2,18.19|
47616 Cc1cc(=O)[nH]c2c(N=Nc3ccc(O)cc3)c(N)nn12 |w:8.7|
47617 COc1ccc(Nc2nc(cs2)-c2c(C)nc3ncccn23)cc1
47618 CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1ccc2OCOc2c1 |w:3.3|
47619 CCOC(=O)c1cc2c(N)c(sc2[nH]c1=O)C(=O)c1ccc(Br)cc1
47620 [O-][N+](=O)c1c(ccc2C(=O)c3ccccc3C(=O)c12)C(=O)OCC(=O)NC1CC1
47621 Oc1ccc(cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl)S(=O)(=O)Nc1ccccc1Cl
47622 Brc1cccc(c1)-c1cc([nH]c(=O)c1C#N)-c1ccco1
47623 O=c1c2ccccc2nc2c3ccccc3c(NCc3ccccn3)nn12
47624 Cc1ccc(cc1)-c1csc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c12
47625 COc1ccc2c(C)nc(N=C(N)NS(=O)(=O)c3ccc(C)cc3)nc2c1 |w:10.9|
47626 O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccco1)c1ccccc1
47627 COCCN1C(=S)S\C(=C/c2ccc(cc2C)N2CCCC2)C1=O
47628 COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1ccc(O)cc1
47629 COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1ccc2ncccc2c1
47630 CCCCn1c(O)c(C=CC=CC=Nc2ccccc2)sc1=S |w:13.13,10.9|
47631 COc1ccc(NC(=O)c2cc3nc(cc(C)n3n2)-c2ccccc2)cc1OC
47632 CCN1\C(Oc2ccc3ccccc3c12)=C\C=C\c1oc2ccc3ccccc3c2[n+]1CC
47633 Oc1ccc(CN=Nc2nnc3c(n2)[nH]c(=O)[nH]c3=O)cc1 |w:7.7|
47634 Clc1nn2c(nc3ccccc3c2=O)c2ccccc12
47635 CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1C
47636 CC(C)c1cc(NCc2ccccn2)n2c(nc3ccccc23)c1C#N
47637 O=C(C[n+]1cccc2ccccc12)c1ccc(NC(=O)c2ccccc2)cc1
47638 COc1ccc([CH+][N-]NC(=O)c2ccncc2)cc1Cn1nc(c(Br)c1C)[N+]([O-])=O
47639 CC(=O)Nc1ccc(Nc2ccc3n(C)c(=O)cc4-c5ccccc5C(=O)c2c34)cc1
47640 [O-][N+](=O)c1ccc2c(c1)c(nc1nncn21)-c1ccccc1
47641 O=C(NCc1cccs1)c1cccn2c1nc1ccsc1c2=O
47642 O=c1c2ccccc2nc2ccc(NCc3cccs3)nn12
47643 Nc1c(cc(cc1[N+]([O-])=O)-c1c[nH]cn1)[N+]([O-])=O
47644 COc1ccc2oc(=NNC(=O)c3cccs3)c(cc2c1)C(N)=O |w:8.8|
47645 O=C(C=Cc1ccc(cc1)N1CCC(=N1)c1ccccc1)c1ccccc1 |w:3.3,c:14|
47646 CN(N=Cc1ccco1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:10|
47647 CN(N=Cc1ccc(Br)o1)C1=NS(=O)(=O)c2ccccc12 |w:2.1,t:11|
47648 COc1cc2nc(=S)[nH]c(NC3CCCCCC3)c2cc1OC
47649 Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(cc1)C(O)=O
47650 CCOc1ccccc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
47651 O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCCC1
47652 NC(=S)NNC1=c2cc(Br)cc(Br)c2=NC1=O |c:5,14|
47653 CCOC(=O)c1cc(C(=O)OCC)c(=O)n(NC(=O)c2ccc(Cl)cc2Cl)c1N
47655 CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCCC1
47656 COc1cc2nc(=S)n(Cc3ccccc3Cl)c(N)c2cc1OC
47657 COc1ccc(cc1)N=CCc1nc(SC)nnc1C |w:8.8|
47658 Cc1ccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)cc1
47659 CC(C)(C)c1ccc(cc1)C(=O)CC(Sc1ccc(Cl)cc1)C(O)=O
47660 COC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1CC=Nc1cc(C)cc(C)c1 |w:23.25|
47661 Nc1nc(=O)c2C(C3=C(Nc2[nH]1)c1ccccc1C3=O)c1cccc2ccccc12 |c:7|
47662 O=C(Cc1ccc(Nc2[nH]c(=S)nc3ccccc23)cc1)NC1CCCCC1
47663 COc1cc2nc(=S)[nH]c(NCC=C)c2cc1OC
47664 COc1cc2nc(=S)[nH]c(NCCc3ccc(C)cc3)c2cc1OC
47665 COc1cc2nc(=S)[nH]c(Nc3ccc(NC(C)=O)cc3)c2cc1OC
47666 OC(=O)c1cc(cc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1)C(O)=O
47667 COc1ccc(cc1)-c1cc(O)c(nn1)C(=O)c1ccc(C)cc1
47668 CC(=O)N1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(O)cc3)C2=O)c2ccccc12 |w:6.25|
47669 OC(=O)c1cccc(c1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccc(Cl)cc1 |w:14.15|
47670 Cc1cc2nc3c(nc2c(c1N)[N+]([O-])=O)[nH]c(=O)[nH]c3=O
47671 [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccc2nccnc2c1
47672 OCCNc1nn2c(nc3ccccc3c2=O)c2ccccc12
47673 COc1cccc2cc(oc12)-c1cc[nH]c(=S)n1
47674 COc1ccc(Cn2c(N)c3cc(OC)c(OC)cc3nc2=S)cc1Cl
47675 O=c1c2ccccc2nc2c3ccccc3c(NCc3cccnc3)nn12
47676 CCN(C(C)C)c1ccc(NC=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc23)cc1 |w:11.10|
47677 [O-][N+](=O)c1cccc(c1)C(=O)N[N-][C+](c1ccccc1)c1ccccn1
47678 Cn1c(SCCOc2ccccc2F)nc2ccccc2c1=O
47679 [O-][N+](=O)c1ccc2c(c1)ncn(Cc1ccccc1C(F)(F)F)c2=O
47680 COc1ccc(cc1OC)-c1csc(n1)-c1c(O)cn(C(C)C)c1N
47681 Fc1cccc(Nc2ncnc3n[nH]cc23)c1
47682 COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
47683 Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)CC1
47684 COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nc2ccccc2[nH]1
47685 COc1ccc(cc1NC(=O)COc1cccnc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1
47686 COc1cc(CN=Nc2nc(C)nc3n(ncc23)-c2ccccc2)ccc1O |w:7.7|
47687 Cc1nc(N=NCc2ccc(O)cc2)c2cnn(-c3ccccc3)c2n1 |w:4.3|
47688 Nc1nc(N2CCN(CC2)C=O)c(C#N)c(CC#N)c1C#N
47689 CCOc1cc(C=NNC(=O)c2cc(nc3ccccc23)-c2cccnc2)ccc1O |w:7.7|
47690 COc1ccc(cc1NC(=O)c1ccc(o1)[N+]([O-])=O)S(=O)(=O)N1CCCCC1
47691 CCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:6.5|
47692 CC(C)NC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:7.6|
47693 OC1CCN(CC1)c1ncnc2n(Cc3c(F)cccc3Cl)nnc12
47694 C1Cc2nc3ncnn3c(Nc3ccccc3)c2C1
47695 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccccc1OC)c1cccn1C
47696 COC(=O)CCC(=O)Nc1sc(C)c(C)c1C(N)=O
47697 O=C(N1CCOCC1)c1cccnc1Nc1ccc2CCCc2c1
47698 CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
47699 Oc1ccccc1Nc1nc(NCC2CCCO2)c2ccccc2n1
47700 CC1CCN(CC1)c1ccccc1N
47701 COC(=O)c1c(ncn1CC(O)COc1ccccc1)C(=O)NCc1ccccc1
47702 Cc1cc(NC(=O)C2CCC2)n(n1)-c1ccccn1
47703 CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 |t:15|
47704 CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
47705 COc1ccc(NC(=O)Nc2cc(C)ccc2OC(F)F)c(OC)c1
47706 Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
47707 Cc1ccccc1-n1c(n[nH]c1=S)-c1ccncc1 |(3.12,-.8,;4.46,-1.57,;4.46,-3.11,;5.79,-3.88,;7.12,-3.11,;7.12,-1.57,;5.79,-.8,;5.79,.74,;7.04,1.64,;6.56,3.11,;5.02,3.11,;4.54,1.64,;3.08,1.17,;8.5,1.17,;8.82,-.34,;10.29,-.81,;11.43,.22,;11.11,1.72,;9.65,2.2,)|
47708 CCOC(=O)C1CCN(CC1)S(=O)(=O)Cc1ccc(Cl)cc1
47709 O=C1CCCC2=Nc3ncnn3C(C12)c1cccs1 |t:5|
47710 Cc1cc(no1)C(=O)N1CCN(CCc2ccccc2)CC1
47711 COC(=O)c1cc(C)sc1NC(=O)c1cccnc1
47712 Cn1c(NCc2cc(Br)ccc2O)nc2ccccc12
47713 COc1ccc(cc1OC)S(=O)(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
47714 CCN1\C(Sc2ccccc12)=C\C=C\C=C\c1sc2ccccc2[n+]1CC
47715 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
47716 COC(=O)C1(Cc2ccccc2)NC(C2C1C(=O)N(C)C2=O)c1ccc(F)cc1
47717 CCNc1ccc2noc3-c4ccccc4C(=O)c1c23
47718 COC(=O)C(O)(c1ccc(NC(=O)NC2CCCCC2)cc1)C(F)(F)F
47719 Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
47720 CCN(CC)c1nc(N)nc(n1)N(c1ccccc1)c1ccccc1
47721 CC(=O)Nc1ccccc1-c1nc2ccc(cc2[nH]c1=O)C(=O)N1CCN(CC1)c1cc(C)ccc1C
47722 CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
47723 O=C1NC(=S)N(Cc2ccco2)C(=O)C1=CNCc1cccs1 |w:15.17|
47724 OP(=O)(c1nccn1-c1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1
47725 CC1(C)NC(=O)N(CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)C1=O
47726 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc(C)cn1
47727 Cc1cccc(c1)C(=O)NNC(=O)C1CCCO1
47728 CCOC(=O)C(C(=O)Nc1ccccc1Cl)C1=NC(C)(C)Cc2ccccc12 |t:17|
47729 Cc1c(Cl)cccc1NC(=S)NC(=O)CCN1C(=O)c2ccccc2C1=O
47730 CC(C)Sc1nc2ccc(cc2s1)-n1c(O)c2CCCCc2c1O
47731 FC(F)(F)c1cccc(NC(=O)CNC(=O)c2ccccc2)c1
47732 CCOc1ccccc1-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12 |(13.35,3.58,;13.35,2.04,;12.01,1.27,;10.68,2.04,;10.68,3.58,;9.35,4.35,;8.01,3.58,;8.01,2.04,;9.35,1.27,;9.35,-.27,;10.68,-1.04,;12.06,-.22,;13.45,-1.01,;14.78,-.24,;13.45,-2.62,;14.78,-3.39,;12.06,-3.41,;10.68,-2.58,;9.35,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,)|
47733 O=c1cc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c2ccccc2[nH]1
47734 CCC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
47735 CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C
47736 Oc1ccc(cc1)N=Nc1nnc([nH]1)-c1ccccc1 |w:8.9|
47737 Cc1n[nH]c(=S)n1-c1ccc(C)cc1
47738 O=C(Cn1cnc2n(ncc2c1=O)-c1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
47739 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
47740 CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O
47741 COc1ccccc1C=NNC(=O)c1ccc(cc1)-c1ccccc1 |w:9.10|
47742 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1ccc(=O)[nH]c1
47743 CC(Cc1ccccc1)=NNC(=O)CNC(=O)c1ccccc1Br |w:9.10|
47744 COc1cc(OC)cc(c1)-c1n[nH]c(=S)n1-c1ccc2OCOc2c1
47745 CCOC(=O)c1sc(Nc2nc3cc4OCOc4cc3s2)cc1C
47746 N=C1N(Cc2ccccc12)NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
47747 CCN(CC)S(=O)(=O)c1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccc(cc1)C(=O)OC |w:20.21|
47748 CCOC(=O)c1c(C)c(sc1NC(=O)c1cc(on1)-c1ccc(O)cc1)C(C)=O
47749 CCOc1cccc2cc(-c3nnc(NCc4ccc5OCOc5c4)s3)c(=O)oc12
47750 [O-][N+](=O)c1cc2OCOc2cc1[CH+][N-]n1c(n[nH]c1=S)-c1ccccn1
47751 COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1
47752 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1cc(ccc1Cl)[N+]([O-])=O
47753 COc1ccccc1-n1c(n[nH]c1=S)-c1cn(C)nc1C |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.27,-.3,;11.81,-.3,;12.71,-1.54,;12.28,1.17,;11.04,2.07,;11.04,3.61,)|
47754 CCOC(=O)C1C(C(C(=O)OCCNC(=O)c2cccnc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:25,t:22|
47755 COc1ccc(Br)cc1CN=Nc1cccc(c1)C(O)=O |w:11.12|
47756 Cc1cc(Cl)nc(N)n1
47757 CCOC(=O)NN=C1C(=O)N(C)c2ccccc12 |w:6.5|
47758 CC1(C)CCC(C)(C)NC(=S)N1
47759 Cc1nc2ccccc2n1Cc1n[nH]c(=S)n1-c1ccc(C)cc1
47760 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1scc(c1C(=O)OC)-c1ccc(cc1)C(C)(C)C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
47761 Nc1cccnc1Sc1ccc(cn1)[N+]([O-])=O
47762 CCCCn1c(n[nH]c1=S)-c1csc(c1)C(C)C
47763 CCc1nccn1S(=O)(=O)c1cc(OC)c(Cl)cc1OC
47764 Cc1[nH]n(-c2ccccc2)c(=S)c1C=NCCCN=Cc1c(C)[nH]n(-c2ccccc2)c1=S |w:14.16,18.19|
47765 CC(C)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
47766 Cc1c(NC(=S)NC(=O)C2CCCCC2)c(=O)n(-c2ccccc2)n1C
47767 S=c1[nH]nc(COc2ccccc2)n1Cc1ccccc1
47768 COc1cccc(c1)C(=O)NCCOc1cc(C)cc(C)c1
47769 COC(=O)c1ccccc1OCCCCN1CC(C)OC(C)C1
47770 [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccc(cc2)S([#7])(=O)=O)-[#6](=O)-[#8]1
47771 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ccccc1SC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
47772 Cc1c(nnn1-c1ccc(Cl)cc1)-c1n[nH]c(=S)n1-c1ccc(Br)cc1
47773 CCOc1ccc(cc1)S(=O)(=O)NC1CCCCCC1
47774 Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCN2CCCCC2)cc1Cl
47775 CC1CCN(CCCn2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3c2=O)CC1
47776 [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1
47777 CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccc(C)cc2)cc1
47778 COc1cccc(NC(=O)Nc2cc(C)ccc2OC)c1
47779 [O-][N+](=O)c1ccc(cc1N1CCOCC1)N1CCN(CC1)C(=O)c1ccco1
47780 Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
47781 OC(=O)CCCC(=O)N1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
47782 COc1ccccc1-n1c(n[nH]c1=S)-c1ccccc1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.11,-.34,;11.58,-.81,;12.72,.22,;12.4,1.72,;10.94,2.2,)|
47783 Fc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:9.10|
47784 COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O
47785 CCSc1ccccc1C(=O)NCc1cccnc1
47786 CC(C)(C)NC(=O)COC(=O)c1ccc(Cl)nc1
47787 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCc1ccc2OCOc2c1 |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
47788 OC1(CC(=NN1C(=O)c1ccncc1)C1CCCCC1)C(F)(F)F |c:3|
47789 CC1CN(CCN1)c1ccc(cc1Cl)[N+]([O-])=O
47790 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1cccc(F)c1)c2=O
47791 CCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O
47792 Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1
47793 [#6]-[#16]-c1ccc(cc1)S(=O)(=O)[#7](-[#6]-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)-c1ccc(-[#6])cc1
47794 CC(=O)Nc1nc2c(C)c(Cl)ccc2s1
47795 COc1ccccc1CCNC(=O)CSc1nnc2ccc(nn12)-c1cccnc1
47796 CC1CC(C)CN(C1)C(=O)\C=C\c1ccc(s1)[N+]([O-])=O
47797 CCN(CC)CCNc1ccc2nnc(CCNS(=O)(=O)c3ccc(C)cc3)n2n1
47798 CNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
47799 O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
47800 Fc1ccccc1C=NNS(=O)(=O)c1ccccc1 |w:8.9|
47801 COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-n1cccc1
47802 COC(OC)c1ccnc(n1)-c1ccc(OC(=O)c2cccs2)cc1
47803 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
47804 Cn1c(SCC(=O)N2CCCC2=O)nc2ccccc12
47805 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NC1CCCC1
47806 CCCn1c(N)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(=O)[nH]c1=O
47807 C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C
47808 CC(C)CCOc1cccc(OCC(O)=O)c1
47809 C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccccc1)C(=O)OC(C)(C)C
47810 Clc1ccc(NC(=O)OCCNC(=O)c2ccncc2)cc1Cl
47811 Cn1c2nc(N)cc(O)c2c(=O)n(C)c1=O
47812 COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3C)cc2c1
47813 OC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1
47814 CCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c12 |c:12|
47815 COc1ccc(cc1)C1=CC(=O)C=CC1=O |c:13,t:9|
47816 COCCCNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23
47817 Cc1ccc(cc1)N(C(=O)Nc1ccccc1)C1=NCCC1 |t:19|
47818 CC(=O)N1CC[n+]2c1scc2-c1ccc(cc1)[N+]([O-])=O
47819 [#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)cc1-[#6]-[#8]-c1ccc(-[#7]-[#6](-[#6])=O)cc1
47820 Oc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
47821 CCOC(=O)N1CN(CN(C1)C(=O)OCC)C(=O)OCC
47822 COc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1 |(3.08,-1.56,;4.41,-.79,;5.75,-1.56,;5.75,-3.1,;7.08,-3.87,;8.41,-3.1,;8.41,-1.56,;7.08,-.79,;7.08,.75,;8.33,1.66,;7.85,3.12,;6.31,3.12,;5.84,1.66,;4.37,1.18,;9.79,1.18,;10.27,-.28,;11.81,-.28,;12.28,1.18,;11.04,2.09,;12.71,-1.53,;14.25,-1.53,;14.73,-2.99,;13.48,-3.9,;12.24,-2.99,)|
47823 CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O |c:5,t:15|
47824 NS(=O)(=O)c1ccc(CNC(=O)\C=C\c2ccco2)cc1
47825 CC(=O)[NH+]=C(N)[N-]c1nc2cc(ccc2o1)[N+]([O-])=O |w:3.2|
47826 CCS(=O)(=O)c1cc(c(Sc2ccccc2NC(C)=O)s1)[N+]([O-])=O
47827 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
47828 [H][C@@]12OC(=O)[C@@H](CC(O)=O)[C@]3([H])[C@H](O)C(=O)Oc4c(O)c(O)cc(c34)C(=O)O[C@]([H])([C@H](OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c1cc(O)c(O)c(O)c1)[C@H]2OC(=O)c1cc(O)c(O)c(O)c1
47829 CCOC(=O)c1sc(nc1O)-c1cccc(c1)C(F)(F)F
47830 CSc1nc(N)nc(n1)C1CC1
47831 Cn1nc(c(c1NC(=O)c1ccco1)-c1ccc(F)cc1)C(F)(F)F
47832 NC(=O)C1CCN(CC1)C(=O)Nc1csc2ccccc12
47833 CNC(=O)c1ccccc1Sc1ccccc1CO
47834 NNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1
47835 [H][C@]12C[C@@]3([H])[C@@](CN(Cc4ccc(cc4)C(F)(F)F)S3(=O)=O)(O1)C=C2 |c:26|
47836 O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1
47837 O=C(Cn1nnc2ccccc12)N(C(C(=O)NCc1ccco1)c1ccco1)c1ccc2CCCc2c1
47838 Clc1ccc(cc1)C(=O)Oc1cccnc1
47839 CCc1cccc(CC)c1N(COC)C(=O)Cn1nnc2ccccc12
47840 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OCC(=O)Nc1cc(C)on1
47841 COc1ccc2cc(ccc2c1)C1(C)NC(=O)N(CC(=O)NCc2ccco2)C1=O
47842 Cc1ccc(cc1)C(=O)Oc1ccc2n(C)cnc2c1
47843 CC(=O)c1cc([nH]c1N1CCCC1)-c1ccccc1
47844 Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12
47845 COc1cccc(c1)C(N(Cc1ccco1)C(=O)Cn1nnc2ccccc12)C(=O)NCc1ccco1
47846 COc1ccc(cc1)C(=O)Oc1cccnc1
47847 CC1CCc2cc(F)ccc2N1CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1
47848 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
47849 Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C
47850 COc1ccc(cc1)N(C(=O)Cn1nnc2ccccc12)C1(CCCCC1)C(=O)NC1CCCC1
47851 Cc1cc(C)c(N(C(C(=O)NC(C)(C)C)c2ccsc2)C(=O)Cn2nnc3ccccc23)c(C)c1
47852 COc1cccc(c1)C(N(C1CC1)C(=O)Cn1nnc2ccccc12)C(=O)Nc1ccc(F)cc1
47853 Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
47854 Oc1ccccc1C(=O)Nc1ccc(OCC(F)(F)C(F)F)c(c1)C(F)(F)F
47855 COc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
47856 [O-][N+](=O)c1cc(\C=C\C(=O)NCc2cccnc2)ccc1Cl
47857 Fc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
47858 COc1cc(C=NNC(=O)Cn2nnc3ccccc23)cc(OC)c1OC |w:6.6|
47859 Clc1ccc(cc1)C(=O)Cn1nnc2ccccc12
47860 CC(=O)Nc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccc(O)c(O)c1)C(=O)Cn1nnc2ccccc12
47861 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1ccc(O)cc1
47862 Brc1ccc(cc1)C(=O)Cn1nnc2ccccc12
47863 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1cccn1C
47864 Cc1cccc2C(=O)C(=O)N(CCOc3ccccc3)c12
47865 O=C(COC(=O)c1cccnc1)N1c2ccccc2Sc2ccccc12
47866 O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1
47867 [H]C12CC([H])(C(C=NNC(=S)Nc3cccnc3)=CC1)C2(C)C |w:7.7,c:18,THB:6:5:20:2|
47868 COc1cccc(C=NNC(=S)Nc2cccnc2)c1 |w:8.8|
47869 Cc1cc(NC(=O)COn2nnc3ccc(cc23)S(C)(=O)=O)ccc1Br
47870 Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)[N+]([O-])=O
47871 FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
47872 Cc1cccc(N2CCN(CC2)C(=O)c2cc(=O)[nH]c3ccccc23)c1C
47873 CC(=O)n1cc(N(C(=O)CCl)c2ccc(cc2)[N+]([O-])=O)c2ccccc12
47874 COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12
47875 CC(C)C12CN(CC(CN(C1)C(=O)c1ccccc1[N+]([O-])=O)(C(C)C)C2=O)C(=O)c1ccccc1[N+]([O-])=O
47876 O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
47877 OC(=O)c1ccc2ncsc2c1
47878 Fc1cccc(Cl)c1\C=C\C(=O)Nc1cccnc1
47879 Clc1ccccc1\C=C\C(=O)Nc1cccnc1
47880 O=C1N(CCCc2ccccc2)c2ccccc2C1=O
47881 COC(=O)c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1
47882 Cc1cc(=O)oc2cc(NC(=O)Cc3ccccc3[N+]([O-])=O)ccc12
47883 Oc1ccc2ccccc2c1C=NNC(=O)c1cncc(Br)c1 |w:12.14|
47884 OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Br)ccc1O
47885 OC(=O)COc1ccc(Br)cc1C(c1c([nH]c2ccccc12)C(O)=O)c1c([nH]c2ccccc12)C(O)=O
47886 COc1ccc(cc1)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl
47887 CCc1nc(N2CCN(CC2)C(=O)CCl)c2c3CCC(C)Cc3sc2n1
47888 Cc1ccc(cc1)-c1cc(NC(=O)c2ccccc2[N+]([O-])=O)[nH]n1
47889 CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
47890 CCc1ccc2N(CCN3CCOCC3)C(=O)C(NC(C)=O)c2c1
47891 COc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
47892 CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc12
47893 Cc1ccc(cc1)C1CC(=NN1C(=O)CCl)c1cccs1 |c:10|
47894 O=C1N(CC2COc3ccccc3O2)c2ccccc2C1=O
47895 CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(F)cc12
47896 CCCCOc1ccc(cc1)C(=O)Oc1cccnc1
47897 CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c2ccccc12 |w:11.10|
47898 Cc1cc(C)n(n1)C(=O)c1ccc(C)c(Br)c1
47899 Cc1ccc(cc1C)C(=O)n1cnc2ccccc12
47900 COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
47901 Fc1ccccc1N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|
47902 O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
47903 ClCC(=O)N(CCc1ccccc1)CCc1ccccc1
47904 O=C(CC#N)NN=Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 |w:6.5|
47905 Cc1ccc(o1)C1=NN(C(C1)c1ccco1)C(=O)CCl |t:7|
47906 CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2cccc3cccnc23)c1
47907 COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|
47908 COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1 |c:13|
47909 ClCC(=O)N(NC(=O)Nc1ccccc1)c1ccccc1
47910 Clc1ccc(CC(=O)Nc2cccnc2)cc1Cl
47911 COc1ccc(cc1)C1N(NC(C1=O)c1c[nH]c2ccccc12)C(=O)CCl
47912 CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
47913 [O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1
47914 Cc1ccc(cc1NC(=S)NC(=O)c1ccc(COc2ccccc2)cc1)C(O)=O
47915 C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)c1cccc(Br)c1)c1ccc(Cl)cc1)C(=O)N(C1CCCCC1)C3=O
47916 CCc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
47917 Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
47918 CC1CCc2c(O)n(c(O)c2C1)-c1cc(Cl)ccc1OC(=O)c1ccco1 |(3.08,4.07,;4.41,3.3,;4.41,1.76,;5.75,.99,;7.08,1.76,;8.54,1.3,;9.02,-.17,;9.44,2.53,;8.54,3.77,;9.02,5.24,;7.08,3.3,;5.75,4.07,;10.98,2.53,;11.75,3.87,;13.29,3.87,;14.06,5.2,;14.06,2.53,;13.29,1.2,;11.75,1.2,;10.98,-.13,;11.75,-1.47,;13.29,-1.47,;10.98,-2.8,;11.6,-4.21,;10.46,-5.24,;9.13,-4.47,;9.45,-2.96,)|
47919 CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
47920 CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1csnn1
47921 CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
47922 COc1cccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
47923 COc1ccc(cc1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
47924 Cc1ccc(cc1)C(=O)c1n(CCC(N)=O)[n+]([O-])c2ccccc12
47925 NC(=O)CCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-]
47926 NC(=O)CCn1c(C(=O)c2ccc(Cl)cc2)c2ccccc2[n+]1[O-]
47927 Cc1ccc(cc1)C(=O)c1n(CCC(N)=O)[n+]([O-])c2cc(ccc12)C(F)(F)F
47928 Fc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O |w:14.15|
47929 NC(=O)CCn1c(C(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2[n+]1[O-]
47930 CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3CC(C)(C)OCc3sc2n1
47931 CCOC(=O)C1CCCN(C1)C(=O)c1sc2nc(cn2c1C)-c1ccc(OC)cc1
47932 COC(=O)NCCOC(=O)N(O)c1ccc(Br)cc1
47933 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc12
47934 Cc1cc2ccccc2n1CCNC(=O)c1cccs1
47935 Cc1cc(NO)nc(n1)-c1ccc(Br)cc1
47936 CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
47937 COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
47938 COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC
47939 CC(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
47940 OC(=O)CSCC(=O)Nc1ccc(cc1)C1CCCCC1
47941 Cc1nc2ccc(cc2[nH]1)C(O)=O
47942 COC(=O)c1ccc(COc2ccc(CC=C)cc2OC)o1
47943 CCN(CC)c1ccc(SS(O)(=O)=O)cc1
47944 OC(=O)c1cccnc1SCC(=O)c1ccc2ccccc2c1
47945 Nc1c(cnn1-c1ccc(cc1)C(O)=O)-c1ccccc1
47946 COc1cccc(CNc2cccc(c2)C(O)=O)c1OCC=C
47947 CCCCOc1ccc(cc1)-c1cc(C(=O)NNC(=S)NCC)c2ccccc2n1
47948 Cc1nc(NC(=O)c2ccc(F)cc2)sc1C(=O)Nc1ccc2CCCc2c1
47949 COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1
47950 COC(=O)c1ccccc1OCCCOc1ccc(C)cc1OC
47951 COC(=O)c1ccccc1OCCCOc1ccc(C=O)cc1OC
47952 Cc1ccc(cc1)S(=O)(=O)c1c(NS(=O)(=O)c2ccccc2)n(CC=C)c2nc3ccccc3nc12
47953 O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12 |w:12.13,c:10|
47954 O=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1
47955 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)Cc1ccccc1
47956 CCOc1ccc(cc1)-c1nc(CN(C[C@@H]2CCC(=O)N2)Cc2ccccc2)c(C)o1
47957 CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
47958 COc1cc(\C=C\[N+]([O-])=O)ccc1OCc1cccc(c1)C(O)=O
47959 CCOc1ccc(cc1)-c1nc(CN2CCCCC2CCn2cccn2)c(C)o1
47960 CN(Cc1nc(oc1C)-c1ccc(cc1)-c1ccccc1)C1CCOC1
47961 Cc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)o1
47962 Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)N1CCCCC1
47963 COc1ccc(cc1)C(=O)Nc1nc(C)c(s1)C(=O)OCC=C
47964 COc1cccc(c1)-c1cc2nc3CCCCc3c(NCC(C)(C)CN(C)C)n2n1
47965 CC1CC(C)CN(CCCNC(=O)C2CCN(CC2)c2nc3c(C)cc(C)cc3s2)C1
47966 CC(C)(C)c1ccc(cc1)C(=O)c1c[nH]c(c1)C(O)=O
47967 OC(=O)c1cccc(NC(=S)NC(NC(=O)c2cccc(c2)[N+]([O-])=O)C(Cl)(Cl)Cl)c1
47968 CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:12.12,t:9|
47969 CS(=O)(=O)c1ccc(cc1)-c1cn2cc(ccc2n1)C(O)=O
47970 COc1ccc(cc1)N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
47971 CCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1
47972 CC(=O)Oc1ccc(Nc2ccccc2)cc1
47973 Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1CC(F)(F)F
47974 COCC(C)n1c(C)cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c1C
47975 COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1cccs1 |w:7.7|
47976 COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccco1 |w:7.7|
47977 COCCn1c(C)cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c1C
47978 Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
47979 CCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1
47980 Cc1cc(C(=O)Cn2nc(C(O)=O)c3ccccc3c2=O)c(C)n1C
47981 CCOC(=O)c1ccc(cc1)-c1ccc(C=O)o1
47982 CC(C)c1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1C
47983 COC(=O)c1ccc(COc2ccc3CCCc3c2)o1
47984 CCC(C)c1ccc(OCc2ccc(o2)C(=O)OC)cc1
47985 Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1
47986 Cc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
47987 OC(=O)c1cc(ccc1Cl)N=NCc1cccnc1 |w:10.10|
47988 OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
47989 CNC(=S)NN=Cc1ccc(o1)-c1ccc(cc1)C(O)=O |w:5.4|
47990 COc1ccccc1NC(=O)c1coc(=O)c(Br)c1
47991 Clc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1
47992 O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCOc2c1
47993 Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)sc1C(O)=O
47994 Cc1ccc(cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O
47995 O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCCOc2c1
47996 CCOC(=O)c1csc(COc2ccc(OC)cc2)n1
47997 Cc1c(-c2nc(no2)-c2ccc(cc2)C(C)(C)C)n(C)oc1=O
47998 Cc1c(-c2nc(no2)-c2ccc(cc2)C(F)(F)F)n(C)oc1=O
47999 COc1cc(ccc1C=O)N1Cc2ccccc2C1
48000 ON(C=c1c(=C)[nH]n(-c2ccccc2)c1=O)c1ccccc1 |w:2.1|
48001 COC(=O)c1ccc(cc1)N=CCC(=O)c1ccccc1 |w:10.10|
48002 CN1C(=O)S\C(=C\c2ccc(OCc3cccc(c3)C(O)=O)cc2)C1=O
48003 COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
48004 CC(=O)CSc1ccc(cn1)-c1nc2ccccc2[nH]1
48005 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(cc1)C(N)=O |w:13.14|
48006 Cc1cccc(c1)N(O)C(=O)Nc1cccc(Cl)c1
48007 CC(=O)c1ccc(cc1)N=Nc1c(C)[nH]n(-c2ccccc2)c1=O |w:10.11|
48008 COc1ccc(\C=C\c2noc(n2)-c2ccccc2OC(C)=O)cc1
48009 Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
48010 CCc1ccc(OCc2ccc(o2)C(=O)OC)cc1
48011 [O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
48012 CC(=O)Oc1ccccc1\C=C\c1nc2ccccc2c(=O)o1
48013 CN(C)c1ccc(cc1)C1Nc2cccc3cccc(N1)c23
48014 OC(=O)c1cc(ccc1Cl)N=NCc1c[nH]c2ccccc12 |w:11.12|
48015 COc1ccc(cc1)C(=O)Oc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)cc1OC |w:17.18|
48016 ON(c1ccccc1)S(=O)(=O)Cc1ccccc1
48017 CC1CCN(CC1)c1ccc(nn1)-c1cccc(NC(=O)C(F)(F)F)c1
48018 [O-]\[N+](=C/c1ccco1)c1ccc(Cl)cc1
48019 COC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1
48020 [O-][N+](=O)c1ccc(cc1)\[NH+]=N\c1ncc[n-]1
48021 O=C1NC(=O)\C(N1)=C\c1cn(CC#C)c2ccccc12
48022 Cc1ccc(cc1)C(=O)CSc1ccccc1C(O)=O
48023 COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccc(F)cc1 |w:7.7|
48024 COc1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)ccc1OC(=O)c1ccccc1F |w:7.7|
48025 CCN(CC)c1ccc(cc1)-c1sc(Nc2ccc(CC)cc2)n[n+]1-c1ccccc1
48026 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
48027 Cc1cc(C)c(c(C)c1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
48028 Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:10.10,t:13|
48029 COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:14.15,t:12|
48030 OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12 |w:12.12,t:15|
48031 COc1ccccc1Nc1nn2c(nc3cc(ccc3c2=O)C(=O)NCc2cccnc2)s1
48032 COC(=O)C1CCN(CC1)C(=O)c1ccc2nc(oc2c1)-c1cccc(OC)c1
48033 COc1ccc(cc1)-c1cc2n(cnn(CC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2=O)n1
48034 Cc1ccc(OCc2ccc(o2)C(O)=O)cc1C
48035 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
48036 CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
48037 CCCc1ccc(OCc2ccc(o2)C(=O)N2CCSCC2)cc1
48038 Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
48039 Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
48040 Clc1ccccc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O
48041 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccc(F)cc1 |c:16|
48042 CCOC(=O)c1csc(NC(=O)c2ccc3OCCOc3c2)n1
48043 COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
48044 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
48045 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1F
48046 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccccc1Cl
48047 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(Cl)c1
48048 Cc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)c1
48049 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccncc1
48050 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccnc1
48051 Cc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
48052 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(Br)cc1
48053 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC(F)(F)F)cc1
48054 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
48055 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(F)c(F)c1
48056 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cccc(F)c1F
48057 COc1ccc(CNC(=O)c2sc3nc(OCCCN(C)C)cc(C)c3c2N)cc1
48058 COc1ccc(CNC(=O)c2sc3nc(OCCN(C)C)cc(C)c3c2N)cc1
48059 COc1ccc(CNC(=O)c2sc3nc(OCCN4CCOCC4)cc(C)c3c2N)cc1
48060 COc1ccc(CNC(=O)c2sc3nc(OCCN4CCCC4)cc(C)c3c2N)cc1
48061 COc1ccc(CNC(=O)c2sc3nc(OCC4CCCN(C)C4)cc(C)c3c2N)cc1
48062 CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
48063 COc1ccc(CNC(=O)c2sc3nc(OC(C)C)cc(C)c3c2N)cc1
48064 COc1ccc(CNC(=O)c2sc3nc(OCc4ccncc4)cc(C)c3c2N)cc1
48065 COc1ccc(CNC(=O)c2sc3nc(OCc4cccnc4)cc(C)c3c2N)cc1
48066 COc1ccc(CNC(=O)c2sc3nc(OCc4ccccn4)cc(C)c3c2N)cc1
48067 CCCCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1ccc(OC)cc1
48068 CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NC1COC1
48069 CN(C)CCCOc1cc(C)c2c(N)c(sc2n1)C(=O)NCc1cc(F)ccc1F
48070 Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC3COC3)c(N)c12
48071 COCCCNC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
48072 CC(C)NC(=O)c1sc2nc(OCCN3CCOCC3)cc(C)c2c1N
48073 Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)NC(C)(C)C)c(N)c12
48074 Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
48075 Cc1cc(OCc2ccccn2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
48076 Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c12
48077 Cc1cc(OCc2ccncc2)nc2sc(C(=O)NCc3cc(F)ccc3F)c(N)c12
48078 Cc1cc(OCCN2CCOCC2)nc2sc(C(=O)Nc3ccccc3)c(N)c12
48079 Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCn2c1nc1ccccc21
48080 Oc1ccc2ccccc2c1N=Nc1ccccn1 |w:11.12|
48081 COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)ccc1O
48082 COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.8|
48083 Cc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:7.7|
48084 Cc1ccccc1NC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3ccccc23)[N+]([O-])=O)cc1
48085 CN(C)\C=C\C=CC=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:7.6,5.4|
48086 COc1cc2C(NCC3(CCCC3)c2cc1OC)c1cccc(c1)[N+]([O-])=O
48087 COc1cc(\C=C\c2sc3ccccc3[n+]2CCCS([O-])(=O)=O)ccc1O
48088 CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccs1 |c:4|
48089 Oc1ccc(\C=C2\SC(=S)N(C2=O)c2cccnc2)cc1
48090 COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
48091 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-c2cccnc2-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6](=O)-[#6]1
48092 COc1ccc(C)cc1N=Nc1ccc(O)c2ncccc12 |w:9.9|
48093 CC1CN(CC(C)O1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
48094 CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
48095 CC(=O)NS(=O)(=O)c1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
48096 CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1 |w:9.8|
48097 Oc1ccc(N=Nc2ccc3OCCOc3c2)c2ncccc12 |w:6.6|
48098 COc1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
48099 CCOc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
48100 Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1 |w:5.5,14.15|
48101 COc1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(4.41,6.93,;4.41,5.39,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;9.75,2.31,;7.08,2.31,;5.75,3.08,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,)|
48102 COc1cc(\C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)ccc1O
48103 Cc1ccc(cc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O)S(C)=O |(9.75,2.31,;8.41,3.08,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,;4.41,5.39,;4.41,6.93,;3.08,4.62,)|
48104 COC(=O)c1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(3.08,7.32,;4.41,6.55,;4.41,5.01,;3.08,4.24,;5.75,4.24,;7.08,5.01,;8.41,4.24,;8.41,2.7,;9.75,1.93,;7.08,1.93,;5.75,2.7,;7.08,.39,;8.41,-.39,;9.87,.08,;10.77,-1.16,;9.87,-2.39,;8.41,-1.93,;7.08,-2.7,;7.08,-4.24,;5.75,-1.93,;4.41,-2.7,;4.41,-4.24,;3.08,-5.01,;3.08,-6.55,;4.41,-7.32,;5.75,-6.55,;5.75,-5.01,;5.75,-.39,;4.41,.39,)|
48105 COc1cccc(c1)N=Nc1ccc2cccnc2c1O |w:8.8|
48106 COC(=O)CCn1nnc(n1)-c1ccc(cc1)C(C)C
48107 CCCC(=O)C1=C(CC(C)(C)CC1=O)Nc1ccc(OC)cc1OC |t:5|
48108 CC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1
48109 OC(=O)CCSc1nnc(o1)-c1ccc2OCOc2c1
48110 CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
48111 Fc1ccc(cc1)-c1cc2nc3CCCCc3c(=O)n2[nH]1
48112 CC(C)c1ccc(cc1)-c1nnn(CCC(O)=O)n1
48113 CCOC(=O)CNC(=O)CSc1ncnc2n(ncc12)-c1ccc(C)cc1
48114 O=C(Nc1ccc(NC(=O)c2ccccn2)cn1)c1ccco1
48115 Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C(=O)NCc1cccs1
48116 O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1
48117 Cc1csc2nc(CSc3ccc(C)cc3)cn12
48118 Clc1ccc(cc1)-c1nnc(nn1)N1CCCC1
48119 COc1ccc(cc1)-n1ncc2c(NC(C)C)ncnc12
48120 COc1ccc(cc1)-n1ncc2c(NCC=C)ncnc12
48121 COc1ccc(cc1)-n1ncc2c(NCC(C)C)ncnc12
48122 Cc1c(NC(=O)c2coc(=O)c(Br)c2)c(=O)n(-c2ccccc2)n1C
48123 Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1
48124 Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12 |t:11|
48125 CCc1cc2c(nc(SCc3c(C)noc3C)n(Cc3ccco3)c2=O)s1
48126 Clc1nc2sccn2c1C(=O)N1CCN(CC1)c1cccc(Cl)c1
48127 O=c1n(CSc2nnc3sc4ccccc4n23)nnc2ccccc12
48128 COCCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C
48129 Cc1cc(-c2csc(N)n2)c(C)n1CCc1ccccc1
48130 Clc1c(CSc2nc3ccccc3o2)nc2ccccn12
48131 Cc1cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(C)n1C
48132 Cc1cc(C)c(C)c(c1C)S(=O)(=O)Nc1ccccc1C(=O)NCCCn1ccnc1
48133 Cc1nn2cc(nc2s1)-c1ccccc1
48134 Cn1ccnc1SCc1cn2cc(Br)ccc2n1
48135 CCOc1ccc(OCc2ccc(o2)C(O)=O)cc1
48136 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)NCC1CCCO1
48137 OC(=O)c1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCO2)c1
48138 Clc1ccc(OCc2cccc(c2)C(=O)N2CCN(CC2)c2ccccn2)c(Cl)c1
48139 CC(=O)Nc1ccc2oc(nc2c1)-c1cc(F)c(F)cc1Cl
48140 CCOc1ccc(NC(=O)c2cnsn2)cc1
48141 Cc1cc(NC(=O)CSc2nc(cc(n2)C(F)(F)F)-c2ccco2)no1
48142 CCCc1cc(cs1)C(=O)Nc1nccs1
48143 CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1O
48144 Cc1ccccc1Cn1nnc(n1)-c1cccc(c1)C(O)=O
48145 Cc1c(oc2ccccc12)C(=O)NC1=NCCS1 |t:15|
48146 Fc1ccccc1OCCSc1nnnn1-c1ccccc1
48147 O=C(NC1=NC2CCCCC2N1)c1ccccc1 |t:3|
48148 Cc1cccc(c1)-n1ncc2c(ncnc12)N1CCCC1
48149 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC1CCCC1
48150 Clc1ccccc1OCc1nc(no1)-c1ccccn1
48151 Brc1cncc(c1)C(=O)Nc1ccc2OCCOc2c1
48152 CC1CCc2nc(NC(=O)C3CCCO3)sc2C1
48153 COc1nc(C)ccc1-c1noc(n1)-c1ccco1
48154 CC(CCc1ccco1)NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1cccc(F)c1
48155 COc1ccc(NC(=O)c2cc3ccccn3n2)cc1
48156 Cc1ccnc(Nc2nc3ccccc3o2)n1
48157 COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C
48158 Oc1cccc(c1)-c1cc(no1)C(=O)N1CCCCC1
48159 CCOC(=O)C1CCCCN1C(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccccc1
48160 O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccn2n1
48161 Fc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)cc1Cl
48162 Nc1ccc(cc1)C(=O)Nc1nc2ccccc2s1
48163 O=C(Nc1nc2CCCCc2s1)C1COc2ccccc2O1
48164 Nc1ccc(cc1)-c1nc2ccc(N)cc2o1
48165 CC(C)Nc1ncnc2n(ncc12)-c1ccc(Cl)cc1
48166 CN1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1
48167 CC(=O)c1sc(NC(=O)C2COc3ccccc3O2)nc1C
48168 O=C(CSc1nnc(o1)-c1csc2CCCCc12)Nc1ccccc1
48169 CC1CN(CCN1C(=O)c1cccc(C)c1)C(=O)c1cccc(C)c1
48170 CCCCCN=Cc1c(C)[nH]n(-c2nc3ccccc3s2)c1=O |w:5.4|
48171 Cc1cc(N)n2nc(cc2n1)-c1ccccc1
48172 COc1cccc(c1)-c1nc2cc(C)ccc2o1
48173 O=C(CSc1nc2CCCCCc2cc1C#N)Nc1nccs1
48174 CC(C)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(C)cc1
48175 COc1cc(SC)ccc1C(=O)Nc1ccc2OCCOc2c1
48176 c1csc(c1)-c1nc(no1)-c1ccccn1
48177 CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
48178 Cc1nc(Nc2nc3ccccc3o2)nc2CCCc12
48179 CCc1nnc(NC(=O)c2ccc(OC)cc2OC)s1
48180 CCOc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
48181 Clc1cc(NC(=O)c2ccco2)ccc1N1CCCC1
48182 Cc1ccc(cc1)-n1nc2ccc(N)cc2n1
48183 Brc1ccc(o1)-c1nc(no1)-c1ccccn1
48184 Clc1cccc(c1)-c1nnc(o1)-c1ccccc1
48185 Cc1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
48186 Cc1ccc(cc1)-c1nc2cc(C)ccc2o1
48187 Cc1ccc(cc1)-c1nc2cc(N)ccc2o1
48188 O=C(CC=Nc1ccccn1)c1ccccc1 |w:4.4|
48189 CC(C)C(=O)Nc1ccc(cc1)-c1nc2cccnc2o1
48190 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc(c1)C(O)=O
48191 O=C(NC1=NCCS1)c1cc2ccccc2o1 |t:3|
48192 Cc1cc(C)c2c(N)c(sc2n1)C(=O)Nc1nccs1
48193 COc1ccc(O)c(c1)C(=O)CC(=O)c1ccccc1
48194 CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc12 |t:1|
48195 Brc1ccccc1-c1nc(no1)-c1ccccc1
48196 Oc1cccc(c1)N=CCC(=O)c1ccccc1 |w:7.7|
48197 CCCCCCOc1ccc(CN2CCN(CCO)CC2)cc1
48198 CCCCCc1ccc(nc1)-c1ccc(cc1)C(O)=O
48199 Cc1cnc(NC(=O)c2sc3nc(C)cc(C)c3c2N)s1
48200 CC(C)(C)c1ccc(cc1)C(=O)N1CCCCCC1=O
48201 CCCCOc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
48202 COc1ccc2nc([nH]c2c1)-c1ccc(N)cc1
48203 Cc1ccc2nc([nH]c2c1)-c1cccc(N)c1
48204 Nc1ccc2oc(nc2c1)-c1ccc2nc[nH]c2c1
48205 CC(C)n1nnnc1SCC(=O)c1ccc(C)cc1C
48206 c1ccc(nc1)-c1nc2cc3ccccc3cc2[nH]1
48207 COc1ccc(cc1)-c1cc2nc(C)cc(N)n2n1
48208 COC(=O)c1ccc(cc1)-c1nc2cc(N)ccc2o1
48209 Cc1ccoc1C(=O)Nc1ccc(CC(O)=O)cc1
48210 CC(C)(C)c1ccc(o1)C(=O)Nc1ccc(CC(O)=O)cc1
48211 Cc1nc2ccc(cc2[nH]1)-c1nc2cc(N)ccc2o1
48212 COc1ccc(cc1)-c1nsc2c(ncnc12)N1CCCCC1
48213 Nc1ccc2nc(sc2c1)-c1ccccc1
48214 CCc1ccc2oc(nc2c1)-c1cccc(N)c1
48215 COc1cccc(c1)-c1nc(no1)-c1ccccn1
48216 Cc1ccc2nc(oc2c1)-c1cc(N)cc(N)c1
48217 O=C(CCCc1ccccc1)c1ccc2OCCOc2c1
48218 O=C(Nc1ccccn1)c1cc2ccccc2o1
48219 CNc1nnc(s1)-c1ccc(cc1)N(C)C
48220 c1ccc(cc1)-c1nc(no1)-c1ccccn1
48221 CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
48222 COc1ccc(cc1)C(=O)Nc1ccc2OCCOc2c1
48223 Cc1ccc2nc(oc2c1)-c1cccc(N)c1
48224 Cn1c(SCC(=O)N2CCCCC2)ncc1-c1ccccc1
48225 CCCOc1ccc(cc1)-c1nnc(o1)-c1cccs1
48226 CC(C)(C)C(=O)N1CCc2cc(ccc12)-c1csc(N)n1
48227 Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1
48228 Cc1ccc(O)c(C=NNC(=O)C2=NNC(C2)(c2ccccc2)c2ccccc2)c1 |w:8.8,t:12|
48229 O=c1n2CCCc2nc2cc(sc12)-c1ccccc1
48230 Cc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
48231 Cc1ccc(NC(=O)N2CCc3ccccc23)cc1
48232 Cc1ccc(cc1)C(=O)COC(=O)c1cccs1
48233 COc1ccc(cc1)C1=Nc2ccccc2OC1 |t:9|
48234 COc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
48235 CN(C)c1nc(nnc1-c1ccccc1)-c1ccccn1
48236 CN(C(=O)c1ccco1)c1nc2CCCCc2s1
48237 CCc1ccc(cc1)-c1cc(C(=O)Nn2cnnc2)c2ccccc2n1
48238 [#6]-[#8]-c1ccc(-[#7]\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#8]-[#6])c1
48239 COc1cccc(c1)C(=O)NCCC1=CCCCC1 |t:14|
48240 C1CCc2nn3cc(nc3nc2C1)-c1ccccc1
48241 Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
48242 COC(=O)Cc1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
48243 CCCCN(C)C(=O)c1cc2cc3ccc(OC)cc3nc2s1
48244 O=C(CSc1nnc[nH]1)Nc1sc2CCCCc2c1C#N
48245 COc1cc(ccc1N=CCC(=O)c1cccs1)[N+]([O-])=O |w:8.8|
48246 Cc1ccc2nc(NC(=O)c3ccco3)sc2c1
48247 Nc1cccc2nc3ccccc3cc12
48248 Clc1ccc(cc1)S(=O)(=O)c1snnc1-c1ccccc1
48249 CC(=O)N(Cc1ccc(F)cc1)c1c(O)c2ccccc2c(O)c1N=CCc1ccccc1 |w:24.26|
48250 C=CCNc1nc(nnc1-c1ccccc1)-c1ccccn1
48251 COc1ccc(cc1)C(=O)CC=Nc1cccc(O)c1 |w:12.13|
48252 OCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1
48253 COc1cccc(c1)C(=O)CC=Nc1cccc(O)c1 |w:12.13|
48254 Cc1ccc(cc1)-c1nc(N=NCc2ccncc2)c2ccccc2n1 |w:10.10|
48255 Cc1ccc(cc1)N=C1CCc2ccccc2N1 |w:7.7|
48256 Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(O)=O
48257 COc1ccc(cc1)-c1nc2ccccc2[nH]1
48258 CCOc1ccc(cc1)C(=O)NCCc1ccccc1
48259 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccccc2Br)s1
48260 c1ccc(cc1)-c1cnc(nc1)-c1ccccc1
48261 Cc1ccc(cc1)C(=O)Nc1cnc2ccccc2c1
48262 COc1ccc(cc1)C(=O)CC=Nc1ccccn1 |w:12.13|
48263 Cc1nc(O)c(N=Nc2cccc(c2)C(O)=O)n1-c1ccccc1 |w:6.5|
48264 COc1ccc(cc1)C(=O)Nn1c(SCC(=O)N2CCC(C)CC2)nc2ccccc2c1=O
48265 COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
48266 Oc1cccc(NC(=O)c2noc3CCCCCc23)c1
48267 CC1CN=C(CC(=O)c2ccc(C)cc2)C(=O)N1 |t:3|
48268 CN(C)c1ccc(cc1)N=CCC(=O)c1ccco1 |w:9.9|
48269 O=C(CCCOc1ccccc1)N1CCCCC1
48270 Cc1ccc(cc1)-c1nc(no1)-c1ccccc1
48271 Cc1ccccc1C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
48272 COc1cccc(Cn2c(NCc3cccnc3)nc3n(C)c(=O)n(C)c(=O)c23)c1
48273 CC1CCN(CC1)c1nc2ccccc2nc1-n1nc(C)cc1C
48274 Cc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
48275 CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccc(C)cc1C |w:4.3|
48276 CC(=NNC(=O)c1cc(n[nH]1)C1CC1)c1cccs1 |w:2.2|
48277 CC(C)CNC(=O)c1coc(=O)c(Br)c1
48278 Cc1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
48279 CCOC(=O)c1sc2nc3CC(OCc3cc2c1N)C(C)C
48280 CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(CC=C)c2C)cc1
48281 COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2F)SC1 |t:12,14|
48282 Cc1csc(NC(=O)C2COc3ccccc3O2)n1
48283 CC(C)CCn1c(C)cc(c1C)-c1csc(N)n1
48284 COCCn1c(C)cc(c1C)C1=NN=C(Nc2ccccc2)SC1 |t:12,14|
48285 C1CC1NC1=NN=C(CS1)c1ccccc1 |c:7,t:5|
48286 Cc1cnc(NC(=O)C2COc3ccccc3O2)s1
48287 Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC=C
48288 CCNC1=NN=C(CS1)c1ccc(C)cc1 |c:5,t:3|
48289 Clc1c(cnn(-c2nc3ccccc3[nH]2)c1=O)N1CCCCC1
48290 O=C(Nc1nc2ccccc2[nH]1)c1ccccc1
48291 COc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
48292 COc1ccc(cc1)C(=O)Nc1nnc(s1)-c1ccco1
48293 O=C(Nc1nccs1)c1cc2CCCCCc2s1
48294 CC(C)COC(=O)c1nnsc1NC(=O)Nc1ccccc1
48295 CN(Cc1c(C)nn(C)c1C)C(=O)c1cnn2C(CC(Nc12)c1ccccc1)C(F)(F)F
48296 COCCCNc1nc2n(C)c(=O)[nH]c(=O)c2[nH]1
48297 CCOc1ccc(cc1)C(=O)CCN1CCCCC1
48298 O=C1NC(=O)C(=CNc2sc3CCCCc3c2C#N)C(=O)N1Cc1ccco1 |w:6.6|
48299 CN1CCCC(C1)OC(=O)c1ccc2OCCOc2c1
48300 COc1ccc(NC(=O)CSc2nc3CCN(C)Cc3cc2C#N)cc1
48301 COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
48302 Cc1ccc(C)c(c1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccco1
48303 CCCCC(CC)C(=O)NCc1ccccc1OC
48304 CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1ccco1
48305 Cc1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
48306 Oc1ccccc1-c1nnc(SCCN2CCOCC2)n1Cc1ccccc1
48307 CCOC(=O)c1cccc(NC(=O)c2cccs2)c1
48308 Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N(CC1CCCO1)Cc1ccc(F)cc1
48309 O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
48310 COC(=O)Nc1c(nc2ccc(C)cn12)-c1ccccc1
48311 CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2)cc1
48312 Cc1ccc(cc1)-c1nnc(CSc2nc3cc4OCOc4cc3cc2C)o1
48313 O=C(Cc1cccs1)Nc1ccc(cc1)-c1nnn(CC(=O)N2CCOCC2)n1
48314 COc1ccc(cc1OC)C(N(C(=O)c1ccco1)c1ccc2OCOc2c1)C(=O)NC1CCCC1
48315 O=C1OC(Nc2ccc3OCOc3c2)c2ccccc12
48316 CCOC(=O)Cc1nn(C)c(=O)c2ccccc12
48317 CC(C)CSc1nc2n(C)c(=O)[nH]c(=O)c2n1CC(O)COc1cccc2ccccc12
48318 COc1ccc(Cn2nnnc2C(N2CCC(CC2)C(N)=O)c2ccccc2OC)cc1
48319 Nc1ccc(C(O)=O)c(O)c1
48320 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
48321 CC1(CC2(O)C(CCc3nonc23)=[N+]1[O-])N1CCOCC1 |c:14|
48322 CN1CC2(C)CN(CC(C)(C1)C2O)C(c1ccccc1)c1ccccc1
48323 CC12CCCCC1(O)[N+](=O)C1=C(CCCC1)N2[O-] |t:11|
48324 O=C1Nc2ccccc2C11OCCS1
48325 CCOC(=O)c1c2CCCc2c(=S)sc1N
48326 CCOc1[nH]c(N=Cc2ccco2)c(C#N)c1C#N |w:6.5|
48327 Cc1c([C@H]2[C@@H](CC#N)C2(C)C)c2ccccc2n1C
48328 Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nn1c(C)nc2ccccc2c1=O |w:15.17|
48329 OC(=O)c1cc2sccc2s1
48330 NC(=O)C1CCN(CC1)c1nc2ccccn2c(=O)c1\C=C(/C#N)S(=O)(=O)c1ccccc1
48331 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NCc1ccc2OCOc2c1
48332 C(c1cccs1)c1nn2c(nnc2s1)-c1ccccc1
48333 CCC(NCc1cccnc1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:2.2|
48334 C(c1cccs1)c1nn2c(nnc2s1)-c1ccco1
48335 CCn1c(SCC(=O)N2CCOCC2)nc2oc3c(Cl)cc(Cl)cc3c(=O)c2c1=O
48336 Cc1nc2n(N=Cc3ccco3)c3nc4ccccc4nc3c2c(=O)n1CCC1=CCCCC1 |t:33|
48337 CCOc1c(C(N)=O)c(-c2ccccc2)c2n1c1ccccc1[nH]c2=O
48338 CCOc1ccccc1-c1nc(no1)-c1cc2ccccc2nc1OC
48339 CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
48340 CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
48341 CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
48342 COC(=O)c1ccc(CC(=O)c2c(C)cc(O)cc2O)o1
48343 Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccc(F)cc1
48344 Cc1c(Cl)cccc1NC(=O)CC1SCCNC1=O
48345 CC(=N)C(C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1
48346 CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1C#N
48347 CC1CCCCN1CC(=O)Nc1sc2CCCc2c1C#N
48348 Cc1cnc(cn1)C(=O)OCC(=O)c1csc(n1)N1CCCCC1
48349 O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12
48350 CCOC(=O)C1C(NC(=O)N=C1C)c1ccco1 |c:10|
48351 OC(CNS(=O)(=O)c1cccs1)COCc1ccco1
48352 COCCn1c(C)cc(C(=O)COC(=O)c2cc3CCCc3s2)c1C
48353 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)CC#N |t:8|
48354 Brc1cncc(c1)C(=O)OCC(=O)N1CCCC1
48355 CC(C)(C)c1nnc2sc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nn2c1=O
48356 CC12CCC(=O)N1C(CS2)C(=O)OCC(=O)Nc1sccc1C#N
48357 O=C(Nc1nccs1)c1ccc2nccnc2c1
48358 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCOc1ccccc1OC
48359 COC(=O)c1cc(CSc2nnc(-c3ccncc3)n2CC=C)oc1C
48360 O=C(Oc1ccc2OCOc2c1)c1cc2CCCc2s1
48361 N=c1c(cc2c(nc3ccccn3c2=O)n1CCCn1ccnc1)C#N
48362 Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccco1
48363 Cc1ccccc1-n1c(SCC(=O)C(C#N)c2nc3ccccc3[nH]2)nnc1-c1ccncc1 |(12.16,-1.73,;13.19,-2.88,;12.71,-4.34,;13.74,-5.49,;15.25,-5.17,;15.72,-3.7,;14.69,-2.56,;15.17,-1.09,;14.26,.15,;12.72,.15,;11.95,1.49,;10.41,1.49,;9.64,.15,;9.64,2.82,;10.41,4.15,;11.18,5.49,;8.1,2.82,;7.2,1.58,;5.75,2.05,;4.41,1.28,;3.08,2.05,;3.08,3.59,;4.41,4.36,;5.75,3.59,;7.2,4.06,;15.17,1.4,;16.63,.92,;16.63,-.62,;17.88,-1.52,;17.72,-3.05,;18.96,-3.96,;20.37,-3.33,;20.53,-1.8,;19.29,-.9,)|
48364 [H]C12CC3([H])CC(C1)(CC(C2)(C3)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl)NC(C)=O |THB:10:9:5:1.7.2,10:1:5:9.8.11,12:9:5:1.7.2,2:1:8:3.5.11|
48365 Fc1ccccc1OCc1nnc(SCC(=O)NC(=O)NCc2ccco2)n1CC=C
48366 Nc1nc(-c2ccco2)c(s1)-c1ccco1
48367 Cc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1
48368 Fc1ccccc1Nc1nnc(SCC(=O)NCc2ccco2)s1
48369 NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccsc1
48370 [H]C12CC(C(=O)OCC(=O)NCc3ccco3)C([H])(C1)C=C2 |c:22,THB:4:3:19:20.21|
48371 Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1sccc1C#N
48372 CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
48373 Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1
48374 CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1
48375 O=C(CSc1ncnc2ccccc12)Nc1sccc1C#N
48376 O=C(COC(=O)c1ccccc1)NCc1ccco1
48377 COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC
48378 COc1ccc(cc1OC)C1CC(=O)Nc2ccccc2S1(=O)=O
48379 Cc1oc(nc1CN1CCCC(C1)C(=O)NCc1cccnc1)-c1ccc(Cl)cc1
48380 Cc1ccc(CCNS(=O)(=O)c2c[nH]cn2)cc1
48381 Cc1cc(=O)[nH]c(SCC(=O)Nc2nc3CCCCc3s2)n1
48382 O=C(Nc1ccc2OCOc2c1)c1cccc2CN(Cc3cccnc3)C(=O)c12
48383 CCOc1ccccc1C(=O)N1CCN=C1SC |c:15|
48384 CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2NC(=O)CCc2c1
48385 CC(=O)Nc1ccc(cc1)N1CCN(CC1)C(C)=O
48386 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)n1
48387 Clc1ccc(cc1)S(=O)(=O)C1(CC1)C(=O)NCc1ccco1
48388 O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCc2ccccc2C1
48389 CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C |(3.08,2.37,;4.61,2.53,;5.52,1.28,;7.05,1.44,;7.82,2.78,;9.32,2.46,;9.49,.92,;10.82,.15,;12.15,.92,;12.15,2.46,;13.49,3.23,;13.49,4.78,;14.82,2.46,;14.82,.92,;16.15,.15,;13.49,.15,;8.08,.3,;7.76,-1.21,;8.9,-2.24,;8.58,-3.74,;9.73,-4.78,;7.12,-4.22,;5.97,-3.19,;6.29,-1.68,;5.15,-.65,)|
48390 Cc1noc(C)c1S(=O)(=O)N(CC(O)=O)c1ccc2OCOc2c1
48391 CSc1nc2N=C3CCCC(=O)C3C(c3cccs3)c2c(=O)[nH]1 |t:5|
48392 COc1ccccc1NC(=O)NC(N)=O
48393 O=C(Cn1nnc(n1)-c1ccc2OCOc2c1)NCc1ccco1
48394 Nc1nonc1NC(=O)CSc1ncccc1C(O)=O
48395 O=C(Cc1cccs1)Nc1nncs1
48396 Cc1cccc(c1C)-n1c(SCCC(O)=O)nnc1-c1cccs1 |(9.05,-4.07,;10.38,-3.3,;11.72,-4.07,;13.05,-3.3,;13.05,-1.76,;11.72,-.99,;10.38,-1.76,;9.05,-.99,;11.72,.55,;10.47,1.45,;9.01,.98,;7.86,2.01,;6.4,1.53,;5.25,2.56,;3.79,2.09,;5.57,4.07,;10.95,2.92,;12.49,2.92,;12.96,1.45,;14.43,.98,;15.67,1.88,;16.92,.98,;16.44,-.49,;14.9,-.49,)|
48397 Oc1coc2cc(OC(=O)c3ccccc3)ccc12
48398 O=C(CSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1)Nc1cccc2cccnc12 |c:4|
48399 CCOC(=O)c1cnn(c1N)-c1nc(SC)nc2sc3CCCc3c12
48400 O=C(Nc1cccc2cccc(NC(=O)c3ccco3)c12)c1ccco1
48401 Cn1c2ncn(CCCNC3=CC(=O)CC(C)(C)C3)c2c(=O)n(C)c1=O |t:10|
48402 Cc1ccc(Cc2cncc(O)c2)cc1S(O)(=O)=O
48403 COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC
48404 CCOC(=O)Cn1cnc2sc3CCCc3c2c1=O
48405 O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
48406 OC(=O)c1cc(O)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
48407 O=C1CC(CN1)c1ccc(cc1)S(=O)(=O)NCCOc1ccccc1
48408 Fc1ccc(cc1)C(=O)Nc1cnc2ccccn2c1=O
48409 O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2OCOc2c1
48410 C1CCC(CC1)c1noc(n1)-c1ccccc1
48411 CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1)C(=O)OCC
48412 CC(C)c1ccc(cc1)N(CC(=O)N1CCc2ccccc12)S(=O)(=O)c1c(C)n[nH]c1C
48413 CCOC(=O)C1CCCN(C1)C(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1
48414 CCOC(=O)N1CCC(CC1)NC(=O)c1cccc2CN(C(=O)c12)c1ccc(OC)cc1
48415 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(Cc2ccccc2)CC1
48416 Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(C)n1
48417 CN(C1CCCCC1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CCC#N)CC1
48418 Cc1nn(c(C)c1NC(=O)Cc1cccs1)-c1ccccc1
48419 C(c1nnc2sc(nn12)-c1ccco1)c1ccccc1
48420 COCc1cc(=O)n2c(n[nH]c2n1)-c1ccc(C)cc1
48421 CNC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2CCCc12
48422 CCn1cc(SCC(=O)NCc2ccc3OCOc3c2)c2ccccc12
48423 O=C(CCc1ccccc1)Nc1nnc(o1)-c1cccs1
48424 Oc1ccc(NC(=O)C2CCC=CC2)cc1 |c:11|
48425 CC1(C)CCCC2=C1CC1C(C2)C(=O)N(O)C1=O |c:6|
48426 CCN1C2=C(C(C3=C1CCCC3=O)c1ccc(O)c(Br)c1)C(=O)CCC2 |c:3,6|
48427 CC(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1
48428 Cc1onc(c1C(=O)NCc1ccco1)-c1ccccc1Cl
48429 O=NC1CC2(CC(N=O)C1N=O)OCCO2
48430 Cc1cc(ccc1-n1c(O)ccc1O)-c1ccc(c(C)c1)-n1c(O)ccc1O |(3.12,3.85,;4.46,3.08,;4.46,1.54,;5.79,.77,;7.12,1.54,;7.12,3.08,;5.79,3.85,;5.79,5.39,;4.54,6.3,;3.08,5.82,;5.02,7.76,;6.56,7.76,;7.04,6.3,;8.5,5.82,;5.79,-.77,;4.46,-1.54,;4.46,-3.08,;5.79,-3.85,;7.12,-3.08,;8.46,-3.85,;7.12,-1.54,;5.79,-5.39,;7.04,-6.3,;8.5,-5.82,;6.56,-7.76,;5.02,-7.76,;4.54,-6.3,;3.08,-5.82,)|
48431 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cccc2cccnc12 |c:5,TLB:9:8:2:6.5,THB:12:7:2:6.5|
48432 CCCNc1nc(nc(n1)N1CCOCC1)N1CCOCC1
48433 CN(C)c1ccc(cc1)\N=C\c1ccco1
48434 Clc1ccc(COC(=O)CNC(=O)c2ccco2)cc1
48435 O=[#6](-[#7]-c1ccccc1)-[#6](\C#N)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
48436 CCOC(=O)Cc1csc(NC(=O)Cc2cccs2)n1
48437 CCCCCCNC=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O |w:7.6|
48438 Cc1occc1C(=O)NCCCc1ccccc1
48439 CC1CCCC(C)N1C(=O)Nc1cccc(Cl)c1
48440 [#8]-c1c2-[#6]-[#6]\[#6](=[#6]-3/[#6]-[#6]-[#6]-[#6]-3)-c2nc2ccccc12
48441 CC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(C)=O)C(C)=O
48442 C1C\C(=C/c2nc3ccccc3[nH]2)C(=C1)N1CCOCC1 |c:15|
48443 CCN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
48444 NS(=O)(=O)c1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1
48445 O=C(CCc1ccccc1)Nc1ccc(cc1)N1CCOCC1
48446 N=c1c(cc2c(nc3ccccn3c2=O)n1CCc1ccccc1)C(=O)NCc1ccco1
48447 Brc1cnc2cc(nn2c1)C(=O)N1CCOCC1
48448 Cc1nccn1-c1ncnc2sc3CCCCc3c12
48449 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O
48450 Clc1ccc(cc1)-n1nc(cc(-c2nc3ccccc3[nH]2)c1=N)C(=O)c1cccs1
48451 CCCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/C(C)=C(C#N)C(=O)N(C)C2=O)o1 |t:21|
48452 OC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
48453 COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1
48454 COc1ccc(cc1)N1CC(CC1=O)C(O)=O
48455 Cc1nc(cs1)-c1ccc(O)c(O)c1
48456 Cc1ccccc1NC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
48457 COCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1
48458 CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccco1
48459 Cc1ccc(NC(=O)COc2ccc(cc2)-n2cnnn2)cc1C
48460 O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
48461 CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2CCCc12
48462 CCCCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
48463 CCC(N=Nc1ccccc1)c1cnnc(n1)-c1ccccc1 |w:3.2|
48464 COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1
48465 CCn1c(NN)nc2sc3CCCc3c2c1=O
48466 CCN1CCC(CC1)C(N)=O
48467 COc1cccc(c1)-n1nc(-c2ccnn2-c2ccc(F)cc2)c(=O)n(C)c1=O
48468 CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
48469 CCCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccco3)o1)C2=N |c:8,t:3|
48470 CCC(Sc1ncnc2sc(C)c(C)c12)C(=O)OC
48471 COC(=O)C(O)(c1ccc(cc1)N(C)C(=O)OC(C)C)C(F)(F)F
48472 CSc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
48473 COc1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=O)[nH]c2ccsc2c1=O
48474 COc1ccc(cc1)C(=O)Nc1nc-2c(Cc3cc(OC)ccc-23)s1
48475 OC(=O)c1sccc1Oc1ccccc1[N+]([O-])=O
48476 CC1Cc2ccccc2N1C(=O)c1cnc2scc(C)n2c1=O
48477 CC(C)OC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3NC(=O)c4cccc1c34)c1ccccc21
48478 OC(=O)CC(Cn1nn[nH]c1=S)c1ccccc1
48479 CC(C)Cn1c(nc2ccccc12)-c1cccs1
48480 [#16]-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |t:1|
48481 CP(=O)(Nc1ccccn1)Oc1ccc(Cl)cc1
48482 COc1ccc(cc1)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
48483 Cc1ccc(C)c(Cn2c3ccsc3c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c2=O)c1
48484 Brc1ccc(cc1)C(=O)Nc1nnc(s1)C1CCCO1
48485 CN1C(=O)CC(S\C1=N/c1cc(Cl)c(O)c(Cl)c1)C(O)=O
48486 Cc1cccc(c1)-n1c(SCc2cc(=O)n3c(C)cccc3n2)nc2n[nH]cc2c1=O
48487 O=S(=O)(N1CCOCC1)c1cccc(c1)-c1nc2ccccc2s1
48488 CC(C)CN(CCC(O)=O)CC(C)C
48489 Cc1oc2nc(SCC(=O)NCCCO)nc(N)c2c1C
48490 Clc1ccccc1-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1 |(3.12,-.79,;4.46,-1.56,;4.46,-3.1,;5.79,-3.87,;7.12,-3.1,;7.12,-1.56,;5.79,-.79,;5.79,.75,;7.04,1.66,;6.56,3.12,;5.02,3.12,;4.54,1.66,;3.08,1.18,;8.5,1.18,;8.98,-.28,;10.52,-.28,;10.99,1.18,;9.75,2.09,;11.42,-1.53,;12.96,-1.53,;13.44,-2.99,;12.19,-3.9,;10.95,-2.99,)|
48491 COc1cccc(c1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccoc3)c12
48492 OS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1
48493 COc1ccc2c(c1)oc1nc(-c3ccco3)n(Cc3ccco3)c(=O)c1c2=O
48494 CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1
48495 Cc1ccc(o1)C(=O)Nc1nc(cs1)-c1cccnc1
48496 CN(CC(O)COc1ccc(cc1)S(=O)(=O)N1CCOCC1)C1CCCCC1
48497 Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc(Cl)cc1
48498 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc(C)cc1
48499 Cc1cc(NC(=O)c2c(F)cccc2Cl)n(n1)-c1nc2ccccc2[nH]1
48500 CCOc1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1
48501 Cc1cc(C)c(cc1C)C(=O)COc1cccnc1[N+]([O-])=O
48502 CCc1cc2c(nc(SC(C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)n(CC)c2=O)s1
48503 O=S(=O)(Nc1ncnc2sc3CCCc3c12)c1ccc2ccccc2c1
48504 Nc1c(c(O)cn1-c1ccc(CC(O)=O)cc1)-c1nc2ccccc2[nH]1
48505 CCc1ccc(cc1)C(=O)Cn1ncc(Cl)c(Cl)c1=O
48506 Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1[N+]([O-])=O |w:14.16|
48507 COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NC(=O)NC(C)(C)C
48508 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
48509 Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC1CC1
48510 Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccco3)c2n1
48511 CCCNCC1COc2ccccc2O1
48512 COc1ccc(CCNC(=O)Cn2cnc3n(ncc3c2=O)-c2ccccc2Cl)cc1OC
48513 O=C(CSc1nnc(CNc2ccccc2)o1)N1CCc2ccccc12
48514 Oc1ccc(Cl)cc1CN1CCC(CC1)C(=O)N1CCN(Cc2ccccc2)CC1
48515 COc1cc2cc(C(N(C)C3CCCCC3)c3nnnn3C3CCCC3)c(=O)[nH]c2cc1OC
48516 Nc1nnc(CC(=O)N2CCCCC2)s1
48517 CC1=CC(=O)NP(=O)(N1)Oc1ccc2ccccc2c1 |t:1|
48518 CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1
48519 Cc1nnc(=O)[nH]c1NCc1ccco1
48520 CCc1ccc(cc1)C(=O)CSc1nnc[nH]1
48521 CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1
48522 Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCC1CCCO1)C1CCCC1
48523 CCNCC(O)COCC(O)CNCC
48524 OC(=O)C1CC(=NO1)c1ccccc1F |c:5|
48525 CCOc1ccccc1NC(=O)N1CCC(CC1)NC(=O)c1cccc(C)c1
48526 COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1
48527 Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N
48528 CCc1nnc(NC(=O)Cn2nc(ccc2=O)-c2ccccc2OC)s1
48529 OC(=O)CSc1ccccn1
48530 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccc(OC)c1
48531 O=C(NC1CCCCC1)C1CCN(CC1)c1cnccn1
48532 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
48533 CC(=O)OC1=C(Cn2ccc3cccc1c23)C#N |t:4|
48534 COC(=O)n1c2ccc(Cl)cc2oc1=S
48535 Cc1nc(n(n1)-c1ccccc1)C(C)(C)O
48536 COC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1C
48537 Oc1c2CCCCc2n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccnc1
48538 Fc1ccc(NC(=O)CN=O)cc1
48539 c1ccc(cc1)-n1nnc2cnccc12
48540 CC(=NCC1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:2.2|
48541 CCOc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(C)cc1
48542 Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN1CCCC1
48543 CCCCOCCCn1c(nc2nc3ccccc3nc12)-c1ccco1
48544 CC1(C)c2ccccc2N2CC(=O)NC12\C=C\c1ccco1
48545 CC1(C)Cc2c(CO1)sc1nc(NCCN3CCOCC3)n3ncnc3c21
48546 Cc1nn2c(cc(C)nc2c1-c1ccccc1)N1CCOCC1
48547 O=C1NC(Oc2ccccc12)c1ccc2OCOc2c1
48548 COc1ccc2ccccc2c1C1CC(=O)N2CN(C)CSC2=C1C#N |c:25|
48549 COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
48550 COCC(C)n1c(SCc2ccc(o2)C(=O)OC)nc2ccccc2c1=O
48551 CCc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
48552 COC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
48553 Cc1cnc(NC(=O)c2ccc(o2)-c2nc3ccccc3s2)s1
48554 Oc1ccc(-c2n[nH]cc2-c2cccc3cccnc23)c(O)c1
48555 Brc1ccc(cc1)C(=O)OCC1CC(=NO1)c1ccccn1 |c:14|
48556 NC(=O)c1c2CCCc2sc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1
48557 O=C(N1CC(=O)Nc2ccccc12)c1cccs1
48558 Cc1c(NS(=O)(=O)c2ccc(C)c(c2)C(=O)NCc2ccccn2)c(=O)n(-c2ccccc2)n1C
48559 CCCN1CCN(CC1)C(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O
48560 CCCOC(=O)c1ccc(OCC(O)CN2CCN(CC2)C(=O)c2ccccc2)cc1
48561 O=C(NC1CCCCCCC1)C1CCN(CC1)S(=O)(=O)N1CCCC1
48562 Brc1cccc(c1)C1CC(c2ccccc2)n2nnnc2N1
48563 Oc1cc(nc2ccccc12)-c1ccccc1
48564 O=C(CCS(=O)(=O)c1cccs1)N1CCCC1
48565 CCSc1ccc2nnc(-c3cccc(F)c3)n2n1
48566 FC(F)(F)C1CC(Nc2c(Cl)c(nn12)C(=O)NCCN1CCOCC1)c1ccccc1
48567 Brc1ccc(cc1)C1C2C(=O)CCCC2=Nc2[nH]c(=S)[nH]c(=O)c12 |c:16|
48568 OC(=O)c1cc(-c2ccccc2)n(n1)-c1ccccc1C(O)=O
48569 CC(C)c1cc(no1)C(=O)Nc1cccc(Cl)c1
48570 O=C(Cc1ccccc1)OCn1nnc2ccccc2c1=O
48571 CC(C)(C)c1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)c2ccco2)cc1
48572 C=CCn1c(n[nH]c1=S)-c1ccoc1
48573 CN(C)C=Nc1nc(nc(C)c1C(C)=O)-c1ccc(Cl)cc1 |w:4.4|
48574 Clc1ccc2nc3c(cccn3c(=O)c2c1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
48575 Cc1oc(nc1CN1CCC(CC1)C(=O)NCc1ccco1)-c1ccc(Cl)cc1
48576 CCOC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1
48577 CCN(CC)CCCNC(=O)CC1Sc2ccccc2NC1=O
48578 O=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1
48579 COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O
48580 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)Nc2ccccn2)C1=O |c:5,TLB:23:7:2:6.5,THB:9:8:2:6.5|
48581 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
48582 O=C1N(Cc2nc3ccccc3c(=O)n2-c2ccccn2)C(=O)c2ccccc12
48583 C(c1nnc2sc(nn12)-c1cccs1)n1cnc2ccccc12
48584 CN(C)c1nc(Nc2ccc(C)cc2)nc(Oc2ccc(=O)[nH]n2)n1
48585 O=C(NC1CCCCCCC1)c1ccc2OCOc2c1
48586 CCn1c(C)c(C(C)=O)c(nc1=S)N1CCN(CC1)C(=O)c1ccco1
48587 CSc1nsc(SCC(=O)N2CCc3ccccc23)n1
48588 O=C(CC1CCCCC1)NCC1CCCO1
48589 Clc1ccccc1CSCc1n[nH]c(=O)[nH]1
48590 O=C(CSc1ncn(n1)-c1ccccc1)N1CCc2ccccc12
48591 COc1ccc(-c2nc(no2)-c2ccc(Br)cc2)c(OC)c1
48592 Clc1ccc(OCCCn2cncn2)cc1Cl
48593 COC(=O)C1=C(C)NC(=O)C1(Nc1ccc(Cl)cn1)C(F)(F)F |c:4|
48594 Fc1ccccc1C(=O)NCCc1ccncc1
48595 CCn1c(SCC(=O)NCc2ccc3OCOc3c2)nnc1-c1cccs1
48596 Oc1cccc(c1)\N=C1/SCC(=O)N1CC=C
48597 Fc1cccc(Cl)c1CC(=O)NCCCN1CCCC1=O
48598 COc1ccccc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1Cl
48599 COc1ccc(cc1)C(=O)Nc1ccccc1C(N)=O
48600 COc1ccc(cc1OC)-c1noc(CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)n1
48601 COc1cc(cc(OC)c1OC)-c1n[nH]c(=S)n1CC=C
48602 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCCCN2C(=O)C3C(C2=O)C2([H])CC3([H])C=C2)C1=O |c:5,32,TLB:9:8:2:6.5,17:19:25:28.29,THB:30:7:2:6.5,21:20:25:28.29|
48603 COc1cccc(NC(=O)COc2ccc(cc2)N2CC(CC2=O)C(=O)NCC(C)C)c1
48604 Cc1ccccc1CSc1nncn1N
48605 Nc1nnc(SCc2ccccc2Cl)s1
48606 OC1N(Cc2ccccc2Cl)C(=O)c2ccccc12
48607 COc1ccc(OC)c(c1)S(=O)(=O)N1CCN(CC1)c1c(C)cccc1C
48608 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCc1cccs1
48609 CCOc1ccccc1NC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
48610 CC1CCc2nn(CC(=O)N3CCCCCC3)cc2C1
48611 COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
48612 CC(C)N(Cc1nc(no1)-c1ccccc1)C(=O)COc1ccccc1
48613 COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)Nc1cccc(F)c1
48614 CC(=O)Nc1c(nc2ncccn12)-c1ccccc1
48615 Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
48616 COc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C
48617 CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
48618 Cc1ccc(cc1)N1C(=O)c2ccccc2C1(O)c1ncc[nH]1
48619 Fc1c(F)c(c(F)c(F)c1N1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F)C(F)(F)F
48620 O=C(Nc1cccnc1)c1cc2c(ccc3ccccc23)o1
48621 [H]C12CC(C)(CN1C(=O)COc1ccc(OC)cc1)CC(C)(C)C2 |TLB:7:6:2:20.19.23|
48622 Nc1ccccc1-c1nnc(SCc2ccccc2F)[nH]c1=O
48623 COC(=O)c1c(C)cc(OC(C)=O)c(C)c1OC(C)=O
48624 CCOC(=O)c1c(N)sc2c(O)c(Br)ccc12
48625 CCOc1cc(ccc1O)C(=S)N1CCOCC1
48626 C=CCn1c(n[nH]c1=S)-c1ccco1
48627 Cc1cc(C)n2nc(cc2n1)C(=O)NCc1ccccc1
48628 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(C(C)C)C(=O)NC1=NCCS1 |t:26,TLB:5:3:11:6.9.8,8:6:12:1.11.2,THB:5:6:11:3.12.2|
48629 O=S(=O)(N1CCN(CC1)c1ccccc1)c1ccc2OCCOc2c1
48630 COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1
48631 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
48632 CCCS(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
48633 Nc1ccc(cc1)N(c1ccccc1)c1ccc(N)cc1
48634 CCCCCC(=O)NC(NC(=S)NC1CCS(=O)(=O)C1)C(Cl)(Cl)Cl
48635 CCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O
48636 Cc1ccc(cc1)C(=O)CSc1ncnc2sc3CCCCc3c12
48637 Oc1cc(N2CCN(Cc3ccc4OCOc4c3)CC2)c(O)n1-c1cccc(Cl)c1
48638 CN1CCN(CC1)C1=CC(=O)OC11CCCCC1 |t:8|
48639 COc1ccc(cc1)N=C1NCC(=O)N1Cc1cccs1 |w:8.8|
48640 CC(C)c1ccc(CN2CCC(CC2)C(=O)NCc2cccnc2)cc1
48641 CCN(CC)S(=O)(=O)c1cc(F)ccc1OC
48642 Nc1ccc2nc([nH]c2c1)-c1cc(Cl)c(N)c(Cl)c1
48643 C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)c2cc(cc(I)c2NCCC[C@H](NC1=O)C(N)=O)[N+]([O-])=O
48644 Clc1cc(Cl)cc(NC=C2C(=O)CC(CC2=O)c2ccco2)c1 |(8.41,-6.89,;7.08,-6.12,;5.75,-6.89,;4.41,-6.12,;3.08,-6.89,;4.41,-4.58,;5.75,-3.81,;5.75,-2.27,;7.08,-1.5,;7.08,.04,;8.41,.81,;9.75,.04,;8.41,2.35,;7.08,3.12,;5.75,2.35,;5.75,.81,;4.41,.04,;7.85,4.45,;7.22,5.86,;8.37,6.89,;9.7,6.12,;9.38,4.61,;7.08,-4.58,)|
48645 CC(C)CC(=O)N1CCC(CC1)N1CCN(CC1)c1ccccc1
48646 CCn1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
48647 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc(OC)cc1
48648 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)C(Cc1ccccc1)n1cccc1
48649 Clc1ccccc1CNC(=O)CCS(=O)(=O)c1cccc2nsnc12
48650 Nc1cc(=O)nc(SCC(=O)Nc2cccc3ccccc23)n1CC=C
48651 [H]C12CC(C)(Oc3ccccc13)N(C)C(O)=C2C(=O)\C=C\c1ccc(C)cc1 |c:17,TLB:13:12:2:5.11.6,THB:10:11:2:12.16.14,17:16:2:5.11.6|
48652 Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc(C)cc1
48653 CC(C)Cc1cc(no1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
48654 Cc1[nH]c2ccc(cc2c1C)-c1n[nH]c(=S)n1CC=C
48655 CC(=O)Oc1ccc2c(OC(CC22CC(C)(C)NC(=S)N2)c2ccccc2)c1
48656 Clc1cccc(c1)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccnc1
48657 Cc1c(OC(=O)c2ccc(cc2)[N+]([O-])=O)c2COC(C)(C)OCc2c[n+]1C
48658 CCCCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
48659 CC(NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C)c1ccccc1
48660 CC(=O)Nc1ccc(N2CCCCC2)c(c1)C(=O)Nc1cccc(C)c1
48661 O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
48662 COc1ccc(C=Nn2cnc3c4cc(Br)ccc4[nH]c3c2=O)cc1CN1CCOCC1 |w:7.7|
48663 Fc1ccc(cc1)N=Nc1c(CSc2ccccn2)[nH]n(-c2ccccc2)c1=O |w:8.9|
48664 CCS(=O)(=O)c1ccc2oc(Nc3ccc(cc3)C(C)C)nc2c1
48665 Cc1ccc(OCc2nnc([nH]2)-c2ccccn2)cc1
48666 O=C(NCc1ccc2OCOc2c1)c1ccc2OCCOc2c1
48667 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3ccc(o3)-c3cccc(C(O)=O)c3C)C2=O)cc1C
48668 c1ccc2[nH]c(nc2c1)-c1cc[nH+]c2ccccc12
48669 CC1(NC(=O)NC1=O)C1CC1
48670 CCOC(=O)c1ccc2n(CC)c(SCC(=O)c3cc4ccccc4o3)nc2c1
48671 COc1ccccc1CN1CCN(CC1)C(=O)c1ccncc1
48672 COc1ccc(cc1OC)C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(C)cc1
48673 COC(=O)c1ccc(CSc2nnc(S)s2)o1
48674 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
48675 Oc1c(ccc2cccnc12)C(N1CCN(CC1)c1ccccc1)c1cccs1
48676 CN(C)c1ccc(cc1)\N=c1/sc2ccccc2n1C
48677 OC(=O)c1ccccc1C(=O)Nc1nccs1
48678 O=c1[nH]c2ccccc2n2c(nnc12)-c1ccccc1
48679 Clc1ccc(NN=C(C#N)C(=O)c2ccccc2)cc1 |w:6.5|
48680 CCCCCCCCCC(=O)NN=Cc1ccc(C)s1 |w:12.11|
48681 CN(C)CCOc1ccc(NC2c3ccccc3CSc3ccc(Cl)cc23)cc1
48682 Cc1ccc(cc1-c1ccc2cccc(C)c2n1)[N+]([O-])=O
48683 CC(C)OC(=O)c1c(C)c(C)sc1NC(=O)Cn1nc(cc1C)C(F)(F)F
48684 Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|
48685 COc1ccc(NC(C)C(=O)Nc2ccc(cc2)C#N)cc1Cl
48686 Clc1c(Cl)c2nnc(-c3ccc(Br)cc3)n2c(Cl)c1C#N
48687 Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(C)cc1 |w:5.4|
48688 Cc1cccc(n1)-n1cnc(c1)C(=O)NC1CCCCCC1
48689 Cc1cc(C)cc(NC(=O)c2ccccc2CC[N+]([O-])=O)c1
48690 COc1ccc(C=Nn2c(n[nH]c2=S)-c2cccs2)cc1 |w:7.7|
48691 CC(NC(=O)c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)c1ccccc1
48692 ClC1(Cc2ccccc2)C(=O)Nc2ccccc2C1=O
48693 Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)c1ccccc1Cl
48694 COc1cc(C=NNC(=O)C2c3ccccc3Oc3ccccc23)ccc1O |w:6.6|
48695 CON=CC(C#N)c1ncc(cc1Cl)C(F)(F)F |w:2.1|
48696 CN1CCN(CC1)C(=O)Nc1ccc2OCCOc2c1
48697 [#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-[#6](=O)-c1ccc(Br)o1
48698 Cc1ccccc1NC(=O)Cn1nnc2n(ncc2c1=O)-c1ccc(F)cc1
48699 COc1ccccc1\C=C\C(=O)c1c2CCCCc2c(C)[nH]c1=O
48700 CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2nc3CCCCc3cc2c1=O
48701 Cc1ccc(SCc2cc(=O)[nH]c(NC(N)=Nc3ccc(C)c(C)c3)n2)cc1 |w:16.16|
48702 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)c(Cl)c1 |w:6.6|
48703 Brc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)s1 |w:6.6|
48704 Cc1ccsc1C=Nn1c(n[nH]c1=S)-c1cccnc1 |w:7.8|
48705 [#6]-[#6](-[#6])-[#6]-[#7](-[#6]-[#6](-[#6])-[#6])-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1-[#7+](-[#8-])=O
48706 CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1 |w:21.21|
48707 Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(c1)[N+]([O-])=O
48708 CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C(N)=O
48709 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)cc1
48710 [O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]n2c(n[nH]c2=S)-c2ccccc2)o1
48711 O=C(NN=Cc1c[nH]c2ccccc12)C1COc2ccccc2O1 |w:3.2|
48712 CCOC(=O)c1c(NC(=O)CCCOc2ccccc2)scc1-c1cccc(c1)[N+]([O-])=O
48713 CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12
48714 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC=C)cc1
48715 CCCCOC(=O)Nc1nnc(SCCOc2ccc(C)cc2)s1
48716 Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
48717 O=C(CSc1ccccc1)Nc1ccccc1-c1ccccc1
48718 COc1cc(CNc2ccc(cc2)N2CCCC2)ccc1OCc1ccccc1F
48719 Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
48720 CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
48721 Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1Cl
48722 Clc1c(sc2cc(Cl)ccc12)C(=O)NN=Cc1ccc2OCOc2c1 |w:14.15|
48723 COc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1
48724 COc1ccc(cc1)[C@H]1[C@@H](N2N=Cc3ccccc3C2C11C(=O)OC(C)(C)OC1=O)C(C)=O |c:12|
48725 CC(C)c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
48726 COc1cc2c(nc3n(nc(C)c3c2cc1OC)-c1ccccc1)-c1ccc(O)cc1
48727 ClC(Cl)(Cl)C(NC(=O)c1ccccc1)Sc1ccncn1
48728 Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F
48729 Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:10.10,t:13|
48730 Cc1cc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)c(C)n1-c1ccccc1
48731 Cc1ccc(CNC(=O)c2ccc(N3CCc4ccccc34)c(c2)[N+]([O-])=O)cc1
48732 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|
48733 CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC
48734 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1 |w:6.6|
48735 COc1ccc(O)c(\C=C(/C#N)C(=O)Nc2cccnc2)c1
48736 CC(=O)C1=C(OC(=N)C(C#N)C1c1ccc(O)cc1)c1ccccc1 |t:3|
48737 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
48738 Oc1cccc(c1)C(=O)OCC(=O)c1c[nH]c2ccccc12
48739 FC(F)(F)c1ccc2[n+]3CCCCCc3n(CC(=O)Nc3ccccc3)c2c1
48740 CCOC(=O)C(=C\c1ccc(OC(=O)c2ccccn2)cc1)\C#N
48741 C[N+](C)(C)c1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 |w:9.8|
48742 COc1ccc2nc(sc2c1)N1C(=S)NC(C1=O)=C1C(=O)Nc2ccccc12 |w:18.30|
48743 N#Cc1ccc(cc1)-c1csc(NC2=NCCCCC2)n1 |t:14|
48744 O=C(Nc1cccc(c1)-c1nc2cccnc2s1)C1c2ccccc2Oc2ccccc12
48745 COc1cc(cc(OC)c1OC)C(=O)NNC(=O)C1CC=CCC1C(O)=O |c:21|
48746 Cc1cccc(c1)-c1nnc(SCC2CNC(=O)O2)n1-c1ccc(Cl)cc1
48747 COc1ccc(NC(=S)NC2CCS(=O)(=O)C2)cc1
48748 COC(=O)\C=C\C(=O)N1CCN(CC1)c1ccccc1C
48749 CC\N=C1\S\C(=C/c2cc(OC)c(cc2OC)N2CCCC2)C(=O)N1CC
48750 Brc1ccc(s1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
48751 O=C(Nc1nccs1)c1cc(nc2ccccc12)-c1ccco1
48752 Brc1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)o1
48753 CC(C)C1CCC(C)CC1OC(=O)COC(=O)c1ccc(N)cc1
48754 [O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
48755 [#6]-[#8]-c1ccccc1-[#7]S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-2)c(c1)-[#7+](-[#8-])=O
48756 COc1ccc(CCNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1OC
48757 COc1ccc(OC)c(Nc2ncnc3sc(cc23)-c2ccccc2)c1
48758 CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
48759 COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3CCCc3s2)cc1
48760 CCn1cc(C(=O)OCC(=O)c2cc(C)n(c2C)-c2ccc(OC(F)F)cc2)c(=O)c2ccc(C)nc12
48761 Brc1ccc(cc1)-c1cc(C(=O)NN2CCOCC2)c2ccccc2n1
48762 Cc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccccc1Cl
48763 OC(=O)CCSc1nnc(SCC(=O)NCC(F)(F)F)s1
48764 CC(N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccccc1-c1ccccc1
48765 CCNc1ccc(cc1[N+]([O-])=O)C(=O)OCC(=O)NC(C)c1ccccc1
48766 CC(=O)C1=C(C)N=C(SCc2ccc(cc2)C#N)C(C#N)C1c1ccco1 |c:3,t:6|
48767 Fc1ccc(CSc2nnc(NC(=O)c3ccc4ncsc4c3)s2)cc1
48768 Cc1ccc(Oc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1
48769 CCN(CC)c1ccc(cc1)N=Cc1c(C)[nH]c2ccccc12 |w:11.11|
48770 Cn1c(nc2ccccc12)C(C)(O)C(O)c1ccccc1
48771 CNCc1ccccc1Sc1cc(O)ccc1O
48772 COc1ccc(cc1OC)-c1c(C)nn2c(N)c(cnc12)C#N
48773 CCCCCCCCCCCCCCCCn1cc[n+](CC(C)=O)c1
48774 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C |w:14.16|
48775 Cc1c(cccc1[N+]([O-])=O)[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:10.10|
48776 [#6]C([#6])([#6])[#7]-[#6](=O)-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
48777 Oc1c(\C=c2/sc3nc4ccccc4n3c2=O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
48778 COc1ccc(OC)c(Nc2nc(=O)c3cccnc3s2)c1
48779 Cc1c(nn(-c2ccc(Cl)cc2)c(=O)c1C#N)C(=O)N1CCCCC1
48780 CSc1cccc(NC(=S)N(Cc2ccc(C)cc2)Cc2cccnc2)c1
48781 Oc1ccc(C(=O)OCc2cc(=O)n3c(n2)sc2ccccc32)c(O)c1
48782 COc1ccc(cc1)C(=O)OCC[N+]1(C)CCOCC1
48783 COC(CNC(=O)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1)OC
48784 CCN1CCN(CCNC(=O)c2ccc3S\C(=C/c4ccccc4)C(=O)N(Cc4ccc(F)cc4)c3c2)CC1
48785 NC1=NC(=O)C(S1)=Cc1ccsc1 |w:7.8,t:1|
48786 COc1cc(cc(OC)c1OC)-c1n[nH]cc1CN1CCN(Cc2cccs2)CC1
48787 CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
48788 NC(NC(=O)c1ccccc1)=NCc1ccc2OCOc2c1 |w:11.12|
48789 CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1
48790 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)-c1nc2ccccc2s1
48791 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2n1CCc1ccccc1
48792 O=C(Cc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
48793 CCc1ccc(cc1)C(=O)NNC(=O)OC
48794 CC1CCCCN1C(=O)Cn1c2ccsc2c(=O)n(-c2ccc(F)cc2)c1=O
48795 OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:14.15|
48796 CSc1ccccc1NC(=O)c1ccccc1C
48797 NC(=O)NC(=O)COC(=O)c1cccc(NS(=O)(=O)\C=C\c2ccccc2)c1
48798 COc1ccc(OC)c(NC(=O)COC(=O)c2cc3CCCc3s2)c1
48799 Fc1ccc(cc1)C1CCCN1Cc1nc(Cc2ccccc2)no1
48800 Cn1cccc1-c1cc([nH]n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
48801 Clc1c(cn[nH]c1=O)N1CCCC1
48802 CCOc1cc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)ccc1OCC(O)=O |w:7.7|
48803 OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1
48804 O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
48805 CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
48806 COc1cc(\C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(c1O)[N+]([O-])=O
48807 CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
48808 O=C1NC(=S)N(Cc2ccco2)C(=O)\C1=C/c1cccs1
48809 COCc1c(N)c(C)nc(Cl)c1C#N
48810 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2cccs2)c1
48811 Oc1c(cc(CN2CCOCC2)c2cccnc12)[N+]([O-])=O
48812 OC(=O)c1cccc2C3C(Cl)C(CC3C(Nc12)c1cccc(c1)[N+]([O-])=O)Sc1ccccc1[N+]([O-])=O
48813 COc1ccc(CN2C(=S)S\C(=C/c3ccc(o3)-c3ccc(Cl)c(c3)C(O)=O)C2=O)cc1
48814 COc1ccc(cc1)-c1nc(SCC=C)n(CC=C)c(=O)c1C#N
48815 Cc1ccc(C)c(NC(=S)NCCN(C2CCCC2)C2CCCCC2)c1
48816 O=C(Nc1nnc(SCc2ccc(cc2)C#N)s1)c1ccc2ncsc2c1
48817 OC(=O)c1cccc(c1)-c1ccc(\C=C2\N=C(OC2=O)c2cccs2)o1 |c:16|
48818 OC(=O)CSc1nnc(COc2cccc3cccnc23)n1-c1cccc(c1)C(F)(F)F
48819 Clc1cccc(NC(=S)N2CCC3(CC2)OCCO3)c1Cl
48820 Clc1ccc(-c2ccc(o2)C(=O)Nc2ccc(CN3CCOCC3)cc2)c(Cl)c1
48821 Clc1ccc(CC(=O)OCc2nnc(o2)-c2ccccc2)cc1
48822 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)o1
48823 CC(=O)Nc1cccc(NC(=S)Nc2ccc(F)c(Cl)c2)c1
48824 Fc1ccc(CCNS(=O)(=O)c2cccc3cccnc23)cc1
48825 Oc1ccccc1C(=O)\C=C\c1ccco1
48826 CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:11|
48827 OC(=O)CCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
48828 COc1cc(ccc1O)C1C(C(=O)c2ccccc2)C(=O)C(=O)N1c1ccccn1
48829 Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(O)c(c3)[N+]([O-])=O)C2=O)cc1C
48830 Cc1ccc(NC(=O)CN2C(=O)S\C(=C\c3ccc(o3)-c3cccc(c3)C(O)=O)C2=O)cc1
48831 O=C1NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C(=O)N1Cc1ccccc1
48832 COc1cc(\C=C2/SC(=O)N(C2=O)c2ccc(Cl)cc2)cc(c1O)[N+]([O-])=O
48833 COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
48834 COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1
48835 Cc1ccc(cc1NC(=O)Cc1cccs1)[N+]([O-])=O
48836 Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
48837 OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)cc2)o1
48838 Oc1ccc(NC2=NC(=O)C(S2)=C2C(=O)Nc3ccccc23)cc1 |w:12.22,t:6|
48839 Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1ccc(cc1)C(O)=O |w:5.4|
48840 CCNc1nc(NC(C)C)nc(Oc2ccc(=O)n(C)n2)n1
48841 COc1ccc(CC(=O)Nc2nnc(s2)C(C)C)cc1
48842 CC1=CC2=NC(=O)CC(C)(N2C=C1)C(=O)N(CC(=O)NC1CCCC1)c1cc(C)cc(C)c1 |c:12,t:1,3|
48843 COCC(=O)Oc1c(Sc2ccccc2[N+]([O-])=O)c(C)nn1C(C)(C)C
48844 CCN(CC)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1
48845 CCCCCCCCCCCCCCCCn1cc[n+](C)c1
48846 Cc1ccc(CN(Cc2ccccc2)C(=S)NCC(=O)N2CCC3(CC2)OCCO3)o1
48847 CN1CCN(CCCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
48848 CN1CCN(CCCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1
48849 COc1ccc(cc1)N1CCN(CC1)C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O
48850 CC1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
48851 Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
48852 Cc1ccc(CNC(=O)c2ccc(cc2)-n2cccc2)cc1
48853 COc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:22,t:19|
48854 Cc1ccc(cc1)-n1cccc1\C=C1\C(=O)N=C2SC(=NN2C1=N)c1ccco1 |c:21,t:18|
48855 O=C(N(Nc1ccccc1)c1ccccc1)c1ccccc1
48856 Cc1ccccc1C(=O)Nc1cccc(c1)C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O
48857 Cc1ccc(cc1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:7.7|
48858 [H]C12CC3([H])CC(CN)(C1)CC(C2)(C3)c1ccc(C)cc1 |TLB:13:11:9:3.5.2,14:11:9:3.5.2,THB:13:3:9:11.10.12,2:3:10:1.9.12|
48859 Cc1c(cccc1[N+]([O-])=O)-n1cccc1C=O
48860 Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(Br)cc1
48861 Cc1cc(O)c(C=NOCc2ccc(Cl)cc2Cl)c(=O)o1 |w:7.7|
48862 Oc1cc2OCOc2cc1C(N1CCCC1)c1ccc(Cl)c(Cl)c1
48863 CCNC(=O)C1=C(O)c2sccc2N(C)S1(=O)=O |c:5|
48864 CCOc1ccc(Cc2nnc(S)s2)cc1
48865 Cc1cc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(cc1C)[N+]([O-])=O
48866 Nc1ccc(N)c(c1)C(O)=O
48867 Cc1ccc(-c2ccc([CH+]c3c(C)[c-](C#N)c(=O)[nH]c3=O)o2)c(c1)[N+]([O-])=O
48868 CC[n+]1c(\C=C\c2c[nH]c3ccccc23)ccc2cc(C)ccc12
48869 COc1cc(OC)c(C=NNC(=O)c2ccc(NC(C)=O)cc2)cc1Br |w:9.9|
48870 COc1ccc(cc1)-c1cnnc(N=NCc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 |w:13.13|
48871 Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(c1)C(O)=O
48872 OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O
48873 OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)cc1
48874 COc1ccc(cc1)N1C(=S)NC(=O)C(=CC=Cc2ccccc2[N+]([O-])=O)C1=O |w:15.16,17.18|
48875 CC(=O)Nc1ccc(cc1)N=Cc1c(O)c(cc2ccccc12)C(=O)Nc1ccccc1 |w:10.10|
48876 OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
48877 OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
48878 OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31|
48879 CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)cc1
48880 [O-][N+](=O)c1sccc1SCC(=O)Nc1cc(F)ccc1F
48881 [O-][N+](=O)c1sccc1SCC(=O)Nc1cccc(F)c1
48882 Cc1cccc(CCN2[C@@H](CCCNC(=O)C3CCC3)CN3[C@@H](Cc4ccc(O)cc4)CN=C23)c1 |t:34|
48883 CCC(C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN=C2N1CCc1ccc(C)cc1)c1ccccc1 |c:23|
48884 OC1CCC(CC1)NC(=O)c1cc(nc2ccccc12)-c1ccco1 |(6.85,-6.46,;6.85,-4.92,;5.52,-4.15,;5.52,-2.61,;6.85,-1.84,;8.18,-2.61,;8.18,-4.15,;6.85,-.3,;8.18,.47,;9.52,-.3,;8.18,2.01,;6.85,2.78,;6.85,4.32,;8.18,5.09,;9.52,4.32,;10.9,5.14,;12.29,4.35,;12.29,2.75,;10.9,1.95,;9.52,2.78,;5.52,5.09,;5.36,6.62,;3.85,6.94,;3.08,5.61,;4.11,4.46,)|
48885 Clc1ccccc1OCC(=O)c1ccc[nH]1
48886 COc1ccccc1CNc1nc(cs1)-c1cc(C)n(C)c1C
48887 Fc1ccc2c(c1)C(CCS2(=O)=O)=NNc1ccc(cn1)C(F)(F)F |w:13.15|
48888 O=C(\C=C\c1ccco1)N(c1ccccn1)c1ccccn1
48889 Fc1ccc(CNC(=O)c2c3CCCc3nc3ccccc23)cc1
48890 COc1ccc(OC)c(c1)-c1csc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)n1
48891 CC(=O)c1cccc(NC(=O)c2nc(oc2C)-c2ccccc2)c1
48892 CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(C)cc2)nc2ccccc2c1=O
48893 CC(=O)c1sc2nc(CSc3nnnn3-c3ccccc3)[nH]c(=O)c2c1C
48894 CN(Cc1ccccc1)C(=O)COC(=O)\C=C\c1ccco1
48895 Cc1ccc(c(C)c1)-n1nc(cc1C(O)=O)-c1ccco1
48896 OC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
48897 CSc1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:8.8|
48898 ClCc1cc(=O)n2c(n1)sc1ccccc21
48899 COc1cc(\C=C(/C#N)C(=O)N2CCc3ccccc23)ccc1O
48900 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C2/C=C(OC2=O)c2ccccc2)o1 |c:16|
48901 C[C@H]1Cn2c(nnc2-c2ncccn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F |r|
48902 CCOc1ccc(cc1OCC)-c1nnn(CC(=O)NCc2ccc(OC)cc2)n1
48903 CCOC(=O)Cn1c2ccccc2c2nc3ccccc3nc12
48904 c1nnc2c3ccccc3nc(-c3ccccc3)n12
48905 CCOC(=O)c1c(N)scc1-c1ccsc1
48906 CCCSc1nsc(SCCC)c1C(N)=O
48907 CCc1n[nH]c2CC(CC(N=O)c12)c1ccccc1
48908 CCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
48909 Fc1ccc(cc1)-c1csc2nnc(SCC(=O)NCc3ccco3)n12
48910 COC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1
48911 COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCC1
48912 CCCc1nc(NCc2ccncc2)c2nnn(Cc3ccccc3F)c2n1
48913 Cc1cc(NC(=O)c2ccccc2Oc2ccccc2)no1
48914 Cn1c(nc2ccccc12)C(=C\C1CCC=CC1)\C#N |c:17|
48915 CCOC(=O)c1ccc(Oc2nc(NC)nc(SC)n2)cc1
48916 CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1c2sc2nc(C)cc(C)c12
48917 O=C(CSc1nnnn1Cc1ccccc1)c1ccccc1
48918 CC(C[N+](C)(C)C)OC(C)=O
48919 CCOc1ccc(cc1OC)C1C(C#N)C(=N)SC(=N)C1C#N
48920 CCCc1nc(N2CCOCC2)c(C#N)c2CCCCc12
48921 CCCCOc1cc(C)nc(NCc2ccccc2)n1
48922 CSC1=Nc2sc3COC(C)(C)Cc3c2C(NCCCO)N1 |t:2|
48923 CCOC(=O)c1cnc(nc1Nc1cccc(c1)C(O)=O)-n1nc(C)cc1C
48924 C1Sc2nnc(-c3cccnc3)n2N=C1c1ccccc1 |c:15|
48925 Cc1c(nc(N)c(C#N)c1-c1ccco1)-c1ccccc1
48926 CCc1nc(N2CCCCC2)c2oc3ccccc3c2n1
48927 COc1ccc(cc1OC)-c1noc(CCC(=O)Nc2cccnc2)n1
48928 Nc1nc(CN2CCN(CC2)c2ccccn2)nc(Nc2ccc(Cl)cc2)n1
48929 COc1ccc(Nc2nc(N)nc(CSc3nnnn3C)n2)cc1
48930 COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(Cc4ccccc4F)c(=O)c32)cc1OC
48931 CCOc1cc(ccc1OC)-c1noc(CCC(=O)N2CCOCC2)n1
48932 Cc1cc(NC(=O)COc2nnc(-c3ccccc3)c3ccccc23)no1
48933 CCOC(=O)c1sc(NC(=O)COC(=O)Cn2cnc3ccccc23)c(C(=O)OCC)c1C
48934 NC1=NC(c2ccc(Br)cc2)n2c(N1)nc1ccccc21 |t:1|
48935 CCOC(=O)c1sc(=S)n(CC)c1N
48936 CCSc1cnc(-c2ccccc2)n1CC
48937 O=c1nc2scc(-c3ccccc3)n2c2ccccc12
48938 COC(=O)c1sc(=S)sc1C(=O)OC
48939 NC1=NC(c2ccc(Cl)cc2)n2c(N1)nc1ccccc21 |t:1|
48940 O=C(OCn1nnc2ccccc2c1=O)C1CCN(CC1)S(=O)(=O)c1cccs1
48941 CC(C)c1ccc(cc1)-c1nc([nH]c(=O)c1C#N)N1CCCCC1
48942 CCn1ncc(C2=NOC(C2)C(=O)Nc2ccc3OCOc3c2)c1C |t:6|
48943 O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1
48944 Clc1cccc(c1)N1CCN(CN2C(=O)C3(OCCCO3)c3ccccc23)CC1
48945 CCOC(=O)CC1=NC(C)(C)Cc2cc(OC)c(O)cc12 |t:6|
48946 CCn1c(SCC(=O)Nc2cc(C)on2)nc2CC(C)Sc2c1=O
48947 CCCCCSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1
48948 CCn1cc(C(=O)NCC2COc3ccccc3O2)c2cc(OC)c(OC)cc2c1=O
48949 CCOCCOC(=O)C1Sc2cc(C)ccc2N=C1C |c:18|
48950 CCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1cccnc1
48951 N#Cc1cnn(Cc2ccccc2)c1N=CN1CCOCC1 |w:14.15|
48952 C(N1CCc2ccccc12)c1cn2c(nnc2s1)-c1ccccc1
48953 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccccc1
48954 C=CCc1ccccc1OCCn1ccnc1
48955 COc1cc(N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1 |w:5.4|
48956 CCOC(=O)c1c(C)nc2sccn12
48957 Cc1cc2\C(C(=O)Nc2c(Br)c1)=C1\SC(=NC1=O)N1CCCCCC1 |c:16|
48958 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(Cc2csc(N)n2)n1C
48959 O=C1CC(c2cccs2)c2cc3OCCOc3cc2N1
48960 Cc1ccc(cc1S(=O)(=O)NCCO)-c1nn(C)c(=O)c2ccccc12
48961 CCOc1ccccc1NC(=O)CC1S\C(=N\CC)N(CC)C1=O
48962 CCOc1cc(ccc1OC)C(=O)NCCOC
48963 CCSc1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
48964 CCn1c2ccc(cc2c(=O)n(CC)c1=O)S(=O)(=O)NC1CCCCC1
48965 CCOC(=O)c1c(N)scc1-c1ccncc1
48966 COc1ccc2cc3c(N)nn(C(=O)Cc4ccccc4OC)c3nc2c1
48967 C(Nc1nc2ccccc2n2nnnc12)C1CCCO1
48968 Cc1cc(C)n(n1)-c1nc2ccccc2nc1Nc1ccc(CC(O)=O)cc1
48969 COCc1cc(C)nc2sc(C(=O)N3CCN(CC3)c3ccccc3)c(N)c12
48970 CCCCNC(=O)c1cc(on1)-c1ccc(OC)c(OC)c1
48971 CC(C)COC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
48972 Cn1c2nc(SCCCC#N)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
48973 Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1 |t:8|
48974 N(c1ccccc1)c1nc2ccccc2n2cnnc12
48975 CCCCSc1nc2CC(C)Sc2c(=O)n1CC
48976 O=S(=O)(Nc1cccc(c1)-c1nc2cccnc2s1)c1ccc2OCCOc2c1
48977 CCC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1C
48978 Fc1ccc(cc1)-c1nc(C#N)c(NCc2ccccc2)o1
48979 CC(=O)OCC1OC(C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)c1ccccc1
48980 CC(C)n1c(nc2ccccc12)C(O)c1ccccc1
48981 Cc1ccc2N(C(=O)CSc3nncn3C)C(C)(C)c3ssc(=S)c3-c2c1
48982 Cc1onc(c1C(=O)Nc1ccc2OCOc2c1)-c1ccccc1
48983 CC(=C)CSc1nc2CCCc2cc1C#N
48984 COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)N1CCCCC1)C(F)(F)F
48985 CSc1cc(CN=O)c(SC)s1
48986 CCC(N=O)c1ccc(OCC=C)cc1OC
48987 CC(C)n1c(SCC(=O)N2CCCC2)nc2n(C)c(=O)n(C)c(=O)c12
48988 O=c1[nH]c2cc3OCCOc3cc2cc1C(N1CCSCC1)c1nnnn1C1CCCC1
48989 Cc1nc(N2CCC(CC2)C(N)=O)c2nnn(Cc3ccccc3)c2n1
48990 CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1
48991 CCNc1nc(NC(C)(C)C)nc(n1)N(CC)n1cnnc1
48992 COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2)c(OC)c1
48993 Cc1sc2nc(CN3CCN(CC3)S(=O)(=O)c3cccc4nonc34)[nH]c(=O)c2c1C
48994 CC\N=C1/SC(CC(=O)N1CC)C(N)=O
48995 COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)cc1OC
48996 Fc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4CCc4ccccc34)o2)cc1
48997 COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(c(C)c2)-n2cnnn2)cc1OC
48998 Cc1ccc(s1)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
48999 OCCNc1nc(nc2n(Cc3ccccc3Cl)nnc12)C1CC1
49000 CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C
49001 CNc1nc(C)c(C#N)c(-c2ccccc2)c1C(C)=O
49002 c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
49003 CCOC(=O)c1oc2cccc(O)c2c1CN1CCOCC1
49004 COc1ccccc1-n1c2nnc(SCC=C)n2c2sc3CCCc3c2c1=O |(11.38,3.17,;10.04,2.4,;8.71,3.17,;8.71,4.71,;7.38,5.48,;6.04,4.71,;6.04,3.17,;7.38,2.4,;7.38,.86,;8.71,.09,;10.17,.56,;11.07,-.68,;10.17,-1.92,;10.65,-3.38,;12.15,-3.7,;12.63,-5.16,;14.14,-5.48,;8.71,-1.45,;7.38,-2.22,;7.05,-3.72,;5.53,-3.87,;4.4,-4.89,;3.08,-4.13,;3.39,-2.64,;4.91,-2.48,;6.04,-1.45,;6.04,.09,;4.71,.86,)|
49005 CCCc1nc2scc(-c3ccccc3)c2c(=O)n1N
49006 COCCCn1c(N)c(C(=O)OC(C)COC)c2nc3ccccc3nc12
49007 COc1ccc(cc1)-c1n(cc2n(C)c(=O)n(C)c(=O)c12)-c1ccccc1
49008 c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1
49009 CCCCN1C(=O)NC(=O)C(=C(C)NCc2ccc(F)cc2)C1=O |w:10.22|
49010 CCCCn1c(NCCC)nc2n(C)c(=O)[nH]c(=O)c12
49011 COCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
49012 CCCc1nc2sc3c(SCC(=O)NCc4ccco4)ncnc3c2c2CCCc12
49013 CCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
49014 N#Cc1ccc(nc1SCc1ccccc1)-c1ccco1
49015 CCSc1nc(ccc1C#N)-c1ccco1
49016 O=c1cc(nc([nH]1)N1CCCCC1)-c1ccccc1
49017 CC(C)c1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
49018 COc1ccc(cc1OC)-c1noc(CCN2C(=O)c3ccccc3C2=O)n1
49019 Nc1nc(CN2CCN(CC2)c2ccccc2)nc(n1)N1CCCc2ccccc12
49020 COc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2cc1OC
49021 C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
49022 N#Cc1cn(nc1-c1ccccc1)-c1ccccc1
49023 CCn1cc(C(=O)OCC(=O)OC2CC(C)CCC2C(C)C)c(=O)c2ccc(C)nc12
49024 NC1=NC(c2cn(nc2-c2cccs2)-c2ccccc2)n2c(N1)nc1ccccc21 |t:1|
49025 OCCn1nc2c(nc3ccccc23)n(-c2ccccc2)c1=S
49026 Cc1cc(N)n(n1)-c1nc(nc2ccccc12)-c1cccnc1
49027 CCOC(=O)c1sc(NC(=O)CSc2nncs2)c(C(=O)OCC)c1C
49028 CC1C=Cc2ccccc2N1C(=O)c1ccccc1 |c:2|
49029 CCc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccs1 |t:9|
49030 CCN(CC)c1nc(N)c2c(N)nc3OC(Cc3c2c1C#N)c1ccccc1
49031 NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1
49032 CC(C)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
49033 CCCCNC(=O)Nc1ccc(Br)cn1
49034 CCOC(=O)c1cnn(c1N)-c1cccc(Cl)c1
49035 CCn1nc(C(=O)OCC(=O)N2C(C)Cc3ccccc23)c2ccccc2c1=O
49036 O=C1OCCC1Sc1ncnc2sc3CCCc3c12
49037 Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
49038 O=C(NCc1ccco1)c1nn(-c2ccccc2)c(=O)c2ccccc12
49039 CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1
49040 CCOC(=O)C1C(c2ccc(cc2)C(=O)OC)n2nc(SC)nc2N=C1C |c:26|
49041 COC(=O)C(C)C1Sc2ccccc2NC1=O
49042 CCSc1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1ccco1
49043 CC1CC(C)CN(C1)c1cc(=O)n(-c2ccc(C)cc2)c(=O)[nH]1
49044 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCOC)\c1=N\C(=O)c1cccnc1
49045 CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCOCC1
49046 COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c1
49047 N=C1C(C#N)C(c2cccs2)C2=C(CCCC2=O)N1c1ccccc1 |t:12|
49048 N=C1C(C#N)C(c2ccsc2)C2=C(CCCC2=O)N1c1ccccc1 |t:12|
49049 CC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(C)c3)c2n1
49050 COc1ccc(cc1OC)C(=O)Nc1nnc(Cc2cccs2)s1
49051 CC(=O)c1nn(cc1C(=O)c1ccco1)-c1cccc(Cl)c1
49052 NC(=O)NC(=O)Nc1ccccc1Cl
49053 CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
49054 COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCc2ccccc12
49055 O=S(=O)(N1CCN(CC1)c1ccccn1)c1cccs1
49056 O=C(C1CCC1)N1CCc2cc(ccc12)S(=O)(=O)NCc1cccnc1
49057 CCSc1nc2CC(C)Sc2c(=O)n1CC
49058 O=C(CCNS(=O)(=O)c1ccc2NC(=O)CCc2c1)NCc1ccc2OCOc2c1
49059 CC(C)C1N=C2N(C1=O)C(SCC#N)=Nc1ccccc21 |c:4,14|
49060 CSc1nncc(n1)-c1ccc(F)c(F)c1
49061 COc1ccc(cc1OC)C1=NOC(C1)C(=O)NC1CCCCC1 |t:11|
49062 Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(F)cc1 |t:5|
49063 CCSc1nc2CC(C)Sc2c(=O)n1Cc1ccccc1
49064 N=C1Oc2nc([nH]c2C(C1C#N)c1cccnc1)-c1ccccc1
49065 CCOc1ccc(cc1OC)-c1noc(COC)n1
49066 Nc1sc2CCCCCCc2c1C#N
49067 COc1ccc(cc1OC)S(=O)(=O)N(C)c1ccc(cc1)C(=O)N1CCOCC1
49068 CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCOCC3)n2C)sc2CCCCc12
49069 COc1ccc2c(cc(=O)oc2c1C)C(F)(F)F
49070 Fc1ccccc1CSc1nnnn1-c1ccc2OCOc2c1
49071 C(=NC(N=Cc1ccco1)c1ccco1)c1ccco1 |w:1.1,3.2|
49072 CCC1(C)Cc2c(CO1)c(=O)n(-c1ccccc1)c1ncnc(N)c21
49073 Fc1ccc(cc1Cl)N=C1NCCS1 |w:8.8|
49074 COc1nc(C)ccc1-c1noc(n1)-c1ccncc1
49075 CC(C)(C)C(=O)c1sc(NCC=C)c(C#N)c1N
49076 CCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC
49077 COc1ccc(cc1OC)-c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)n1
49078 COC(=O)c1ccccc1NC(=O)c1ccc2OCCOc2c1
49079 CCOC(=O)c1sc(cc1N)-c1ccccc1
49080 N#Cc1nc(oc1NCC1CCCO1)-c1cccs1
49081 CCCCN(CC)C(=O)c1ccc(Cl)c(Cl)c1
49082 C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1
49083 O=C(Nc1ccccc1Oc1ccccc1)c1cnccn1
49084 Nc1ncnc2n(CCOc3ccccc3)cnc12
49085 CCn1cc(C(=O)OCc2ccccc2)c(=O)c2ccc(C)nc12
49086 COC(=O)c1ccccc1NC(=O)COc1ccc(cc1C)S(=O)(=O)N1CCCC1
49087 Cc1cc(-c2cccs2)c2c(n1)sc1c2[nH]c(=O)[nH]c1=O
49088 CC1(C)Cc2nc(N3CCOCC3)c(cc2CO1)C#N
49089 CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1ccco1
49090 Fc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1
49091 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnc(-c2sc(N)nc2C)n1CC=C
49092 CCCCCn1c(NCc2ccco2)nc2ccccc12
49093 Cc1oc(nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1)-c1ccccc1F
49094 COc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
49095 CCc1nc(N)c(C#N)c(c1C)-c1ccncc1
49096 CC1(C)Cc2c(CO1)c(nc(NC1CCCCC1)c2C#N)-c1ccco1
49097 CC1(C)Cc2c(CO1)c(nc(N1CCCC1)c2C#N)-c1ccco1
49098 CCCc1cc(no1)C(=O)Nc1sc(C(C)=O)c(C)c1C(=O)OCC
49099 CCOC(=O)c1c(C)oc2cc(Br)c(O)c(Br)c12
49100 Nc1nc2NC(CC(c3ccccc3)n2n1)c1ccc(F)cc1
49101 Cc1ccc(cc1)C1CC(c2cccc(C)c2)n2nc(N)nc2N1
49102 CCCCSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(F)cc1
49103 CSc1oc(nc1S(=O)(=O)c1ccc(Br)cc1)-c1ccco1
49104 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(C)o1 |c:7|
49105 CCC(=O)Nc1nc2c(OC)ccc(OC)c2s1
49106 C\C=C\Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
49107 COc1ccccc1-n1c2nc(CC(C)C)nc(C(N)=O)c2[nH]c1=O |(8.12,-4.27,;9.15,-3.12,;10.66,-3.44,;11.13,-4.9,;12.64,-5.22,;13.67,-4.07,;13.19,-2.61,;11.68,-2.29,;11.21,-.83,;9.75,-.36,;8.41,-1.13,;7.08,-.36,;5.75,-1.13,;4.41,-.36,;3.08,-1.13,;4.41,1.18,;7.08,1.18,;8.41,1.95,;8.41,3.49,;7.08,4.26,;9.75,4.26,;9.75,1.18,;11.21,1.65,;12.1,.41,;13.64,.41,)|
49108 CCn1c2ccccc2c2nc3ccccc3nc12
49109 Oc1nc(Nc2ccccn2)sc1Cc1ccccc1
49110 CC(CC(=O)c1ccccc1)=Nc1cccc(O)c1 |w:11.12|
49111 COc1ccc(OC)c(c1)N1C(=O)C(Cl)=C(N2CCCCC2)C1=O |t:15|
49112 CC(=O)Oc1c(Cl)c(N2CCOCC2)c(OC(C)=O)c2ccccc12
49113 O=C(N(Cc1ccccc1)c1ccccn1)c1ccccc1
49114 CCOC(=O)c1nc[nH]c1C(=O)Nc1ccccn1
49115 COc1nc(NCc2ccc(Cl)cc2)nc(OC)n1
49116 CCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1
49117 COc1ncnc2sc3CCCCc3c12
49118 Cc1nc2ncnn2c(N2CCN(CC2)C(=O)Cc2cccs2)c1C
49119 N=C1C(C#N)C(c2ccco2)C(C#N)=c2sc(=Cc3ccco3)c(=O)n12 |w:17.18,t:14|
49120 COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc12
49121 COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC
49122 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
49123 Fc1ccc(CSc2ncnc3c4ccccc4oc23)cc1
49124 CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
49125 Cn1nc(ccc1=O)C(=O)Nc1sccc1C(N)=O
49126 Cc1cc(c(C)o1)-c1nc2c3c4CCCc4sc3nc(=O)n2[nH]1
49127 O=C(NCC1CCCO1)c1cc(nc2ccccc12)-c1ccco1
49128 CC1(C)N(C(=O)COc2ccc(cc2Cl)S(=O)(=O)N2CCOCC2)c2ccccc2NC1=O
49129 CN1CCN(CC1)C(c1cccnc1)c1ccc2cccnc2c1O
49130 Nc1cc(ccc1F)-c1nnn[nH]1
49131 Fc1ccc(NC(=O)c2noc3CCCc23)c(F)c1
49132 O=C(N1CCC2(CC1)OCCO2)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
49133 CCN1CCN(Cc2ccc(NC(=O)Nc3cccs3)cc2)CC1
49134 O=C(N1CCC2(CC1)OCCO2)c1ccc(CS(=O)(=O)c2ccccc2)o1
49135 CCn1cc(c(C)n1)-c1cc(n2nc(cc2n1)C(O)=O)C(F)(F)F
49136 NC(=O)Cc1c[nH]c2cccc(O)c12
49137 CN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2Cl)cc1
49138 O=S(=O)(Nc1ccc(cc1)N1CCOCC1)c1cccs1
49139 COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)cc1OC
49140 CN1CCN(CC1)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
49141 Brc1cnc2cc(nn2c1)C(=O)NCc1ccc2OCOc2c1
49142 Brc1cnc2cc(nn2c1)C(=O)Nc1ccc2OCOc2c1
49143 COc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
49144 CCOC(=O)c1ccc(NC(=O)COc2ccc(cc2)-n2cnnn2)cc1
49145 CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
49146 Cc1nnc(s1)N1C(c2ccco2)c2c(oc3ccccc3c2=O)C1=O
49147 Oc1cc(Oc2ccccc2)c2noc3-c4ccccc4C(=O)c1c23
49148 CN(C)c1ccc(NC(=O)N2CCOCC2)cc1
49149 CC1=CC2(O)OCCN(CCO)C2=CC1=O |c:13,t:1|
49150 Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
49151 NC(=O)Cn1c2sc3CCCCCc3c2c(=O)n(Cc2ccco2)c1=O
49152 CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
49153 [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
49154 CC(=N)C(C#N)C(=O)CSc1nnnn1-c1ccccc1
49155 FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
49156 O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(CC1)c1ccc(cc1)C#N
49157 CC1CCCCN1CC(=O)Nc1sc2CCCCc2c1C#N
49158 CC1CCCC(C)N1CC(=O)Nc1sc2CCCCc2c1C#N
49159 O=C(CN1CCCCC1)Nc1sc2CCCCc2c1C#N
49160 CN1CCN(CC(=O)Nc2sc3CCCCc3c2C#N)CC1
49161 COC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
49162 CCc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
49163 CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(cc2)C(=O)OC)n1
49164 CC1CCCC(C)N1CC(=O)Nc1sc2CCCc2c1C#N
49165 O=C(CN1CCCCC1)Nc1sc2CCCc2c1C#N
49166 CN1CCN(CC(=O)Nc2sc3CCCc3c2C#N)CC1
49167 O=C(CN1CCN(CC1)c1ccccc1)Nc1sc2CCCc2c1C#N
49168 CC(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br
49169 Oc1ccccc1-c1cc([nH]n1)-c1cccc(F)c1
49170 Cc1ccc(cc1)C(=O)Nc1ccc(Cl)cn1
49171 O=C(Nc1nc2CCCCc2s1)c1cccs1
49172 Cc1nn2cc(nc2s1)-c1ccc(Cl)cc1
49173 Nc1nc(Nc2ccccc2)nc2ccccc12
49174 CCOc1ccc2nc([nH]c2c1)-c1ccccc1
49175 COc1ccccc1N1CCN(CC1)c1ccc(nn1)-c1ccccc1
49176 CN1\C(Sc2ccccc12)=C/C(=O)c1cccs1
49177 N(c1nc(cs1)-c1cccs1)c1ccccn1
49178 CCOC(=O)CSc1nc2cc(C)ccc2cc1C#N
49179 CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N
49180 COC(=O)c1ccc(cc1)-c1nc2ccc(C)cc2o1
49181 Oc1ccc(CN2CCN(Cc3ccccc3)CC2)c2cccnc12
49182 COc1ccc(cc1)-c1csc(NCc2ccco2)n1
49183 CCCCc1ccc(nc1)-c1ccc(C)cc1O
49184 Nc1nc(Nc2cccc(F)c2)nc2ccccc12
49185 Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1
49186 Cn1c(cc2sccc12)C(=O)Nc1ccc2OCOc2c1
49187 Cn1c(cc2sccc12)C(=O)Nc1ccc2OCCOc2c1
49188 Cc1cccnc1NCc1ccc(O)c2ncccc12
49189 N#Cc1cc2ccccc2nc1SCc1ccccn1
49190 CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1
49191 CCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
49192 COC(=O)CSc1nc2cc(OC)ccc2cc1C#N
49193 Nc1ccccc1C(=O)OCCOc1ccccc1
49194 C(Cc1ccccc1)Nc1ncnc2n(ncc12)-c1ccccc1
49195 COC(=O)CSc1nc(ccc1C#N)-c1cccs1
49196 COc1ccc2c(c1)occ(-c1nc(C)cs1)c2=O
49197 Cc1csc2nc(CSc3ccc(Cl)cc3)cn12
49198 O=C(c1cccs1)c1ccc(s1)-c1cccs1
49199 c1ccc(cc1)-c1noc(n1)-c1cccc2ccccc12
49200 Cc1ccc(cc1)C(=O)CC=Nc1cccc(O)c1 |w:11.12|
49201 COc1ccc2CN(C(=O)c2c1OC)c1cccc(c1)C(F)(F)F
49202 CCn1cnc2sc(cc2c1=O)-c1ccccc1
49203 COc1cccc(CNc2ccc(Br)cn2)c1O
49204 CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1O |w:2.2|
49205 O=C1CCCc2nc(ncc12)N1CCc2ccccc12
49206 CCCCCCOc1ccc(cc1)C(=N)NO
49207 O=C(c1ccco1)n1n2ccccc2nc1=S
49208 CN(C)c1ccc(C=c2sc3=NCCCn3c2=O)cc1 |t:10|
49209 Cc1c(oc2ccccc12)-c1nc(N)nc(Nc2ccccc2F)n1
49210 Cc1ccc(cc1)C(=O)Nc1ccc2n3CCSCc3nc2c1
49211 Cc1ccsc1C(=O)OCc1csc(n1)-c1ccccc1
49212 COc1ccc(cc1OC)-c1cn2cc(C)ccc2n1
49213 Cc1cnc(cn1)C(=O)Nc1ccc2CCCc2c1
49214 Cc1ccc(NC(=O)c2ccccc2O)cc1
49215 Cc1csc(SCc2nnc(o2)-c2ccccc2Br)n1
49216 Cc1ccc2nc(NC(=O)c3cccs3)sc2c1
49217 C\N=c1/scc(C)n1N=Cc1ccc2OCOc2c1 |w:8.8|
49218 CC(C)c1ccc(cc1)-c1ncc(CSc2nnc(C)n2C)s1
49219 Cc1csc(NC(=O)c2cc3CCCc3s2)n1
49220 COc1ccc(cc1)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
49221 CN=c1scc(C)n1N=Cc1ccc(O)cc1 |w:8.8,1.0|
49222 Clc1c(CSc2nc3ccccc3o2)nc2sccn12
49223 COc1ccc(cc1)-c1cc(=O)c2ccccc2s1
49224 CC(C)(C)c1ccc(cc1)C(=O)\C=C1/NC(=O)CS1
49225 Cc1nc(Sc2nnnn2C)c2c3CCCc3sc2n1
49226 Cc1cccc(NC(=O)c2cc3ccccc3o2)c1
49227 Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
49228 CCOc1ccc(NC(=O)c2ccccc2O)cc1
49229 O=C(NCCCn1ccnc1)c1cc(on1)-c1cccs1
49230 O=C(Nc1ccc2OCOc2c1)c1noc2CCCCCc12
49231 CCOc1ccc2nc(sc2c1)N1CCCCCC1
49232 C1Oc2cc3nc(sc3cc2O1)N1CCc2ccccc2C1
49233 COc1ccc2nc3oc(cc3cc2c1)C(=O)N1CCCCC1
49234 CCc1ccc(NC(=O)c2cc(C)on2)cc1
49235 CCc1ccc(NC(=O)c2cc(on2)C(C)C)cc1
49236 COc1cccc2sc(nc12)N(C)c1ccccc1
49237 Nc1nonc1-c1noc(COc2ccccc2Cl)n1
49238 NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccccc1
49239 CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1
49240 Cc1ccc(NC(=O)c2noc3CCCCCc23)cc1
49241 C1Oc2ccc(cc2O1)-c1cn2ccsc2n1
49242 Cc1nc2c(ccc3nc(NC(=O)c4ccc5OCCOc5c4)sc23)s1
49243 ON1C(Nc2ccccc2C1=O)c1cnc2ccccc2n1
49244 Cn1nnc(n1)-c1ccc(OCc2ccccc2F)cc1
49245 NC(=O)c1ccccc1N=CCC(=O)c1ccccc1 |w:9.9|
49246 COc1cccc(c1)C(=O)CC=Nc1cc(C)ccc1O |w:12.13|
49247 Oc1ccccc1-c1cc([nH]n1)-c1ccccc1Cl
49248 CCOC(=O)c1cnc(SCc2ccccc2)nc1N
49249 Oc1c(ccc2ccccc12)-c1cc(n[nH]1)-c1ccco1
49250 COC(=O)c1sc(NC(=O)c2cc3CCCCc3s2)nc1C
49251 Clc1ccc(OCc2nc(no2)-c2ccncc2)c(Cl)c1
49252 COc1cc(OC)cc(c1)-c1nc2cc(C)ccc2o1
49253 Cc1occc1C(=O)Nc1cccc2ccccc12
49254 Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccn1
49255 Fc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
49256 CSCCNC(=O)c1ccc(cc1)C(C)(C)C
49257 O=C(Cc1cccs1)Nc1nc2CCCCc2s1
49258 Oc1cc(O)c2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
49259 COc1cccc(c1)-c1nc(no1)-c1ccccc1
49260 COc1ccc(cc1)-c1nnc(o1)-c1ccc(N)cc1
49261 CC(C)CC(=O)Nc1ccc(cc1)-c1cn2ccsc2n1
49262 Cc1ccc(NCc2nc3ccccc3n2C)cc1
49263 Cc1ccc(NC(=O)c2ccc3ccccc3n2)nc1
49264 COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
49265 Cc1ccc(-c2cc([nH]n2)-c2cccc(F)c2)c(O)c1
49266 Clc1ccc(-c2nnc(SCc3ccon3)o2)c(Cl)c1
49267 Cc1cc(cs1)C(=O)Nc1nc2CCCCc2s1
49268 CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc12
49269 O=S1(=O)NC(=Nc2nc3CCCCc3s2)c2ccccc12 |w:5.5|
49270 OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(F)cc1
49271 CC(=O)Oc1ccc(Oc2ccc(cc2)-c2noc(C)n2)cc1
49272 COc1ccc(cc1)-c1cn2c3CCCCc3sc2n1
49273 Cc1ccccc1-c1cc(n[nH]1)-c1ccccc1O
49274 Clc1cc(Cl)c(OCc2nc(no2)-c2ccccn2)cc1Cl
49275 O=C(Nc1ccc2nsnc2c1)c1ccc2OCOc2c1
49276 CC(C)(C)c1ccc(cc1)C(=O)Nc1cnccn1
49277 Fc1ccc(cc1)C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
49278 Cc1ccc(o1)C(=O)Nc1ccc2CCCc2c1
49279 Clc1ccc2nc([nH]c2c1)N1CCCCC1
49280 Cc1nc(cs1)-c1ccc(NC(=O)c2cccs2)cc1
49281 Oc1ccccc1NC(=O)CCC1CCCCC1
49282 COc1ccc(cc1OC)-c1noc(n1)-c1ccco1
49283 Cc1ccc(cc1)-c1nc(no1)-c1cccnc1
49284 COc1cc2c(cc1NC(=O)C1CCCO1)oc1ccccc21
49285 Cc1ccc(cc1)-c1nnc(Nc2ccccc2)[nH]1
49286 Cc1ccc(NC(=O)c2ccccc2)s1
49287 O=C(Nc1ccon1)c1cc2CCCCc2s1
49288 Clc1ccc(Nc2nc(cs2)-c2cccs2)nc1
49289 O=C(NC1=NCCS1)c1csc2ccccc12 |t:3|
49290 Brc1ccc(s1)C(=O)Nc1nc2CCCCc2s1
49291 CCN(CC)c1ccc(NC(=O)c2ccco2)cc1
49292 CCOC(=O)c1ccc(NC(=O)N2CCc3ccccc23)cc1
49293 CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1
49294 Brc1ccc(s1)C(=O)Nc1ccc2OCOc2c1
49295 C(COc1ccc(OCc2ccccc2)cc1)Cn1cncn1
49296 COc1ccc2nc([nH]c2c1)-c1ccccc1
49297 COc1ccc(cc1)C1=NOC(CN2C(=O)c3ccccc3S2(=O)=O)C1 |t:9|
49298 Fc1ccccc1-c1nc(no1)-c1ccccc1
49299 Clc1ccc(NC(=O)c2cc3ccccc3o2)nc1
49300 Fc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCCC1=O
49301 CN(C)c1ccc(NC(=O)CCCc2ccccc2)cc1
49302 CCOC(=O)c1sc2nc3CC(C)(C)OCc3cc2c1N
49303 Cc1sc(NC(=O)c2ccc(Cl)s2)c(C(N)=O)c1C
49304 Nc1ccc2nc([nH]c2c1)-c1ccc(Cl)cc1
49305 CC1CCN(CC1)C(=O)c1cc(on1)-c1ccccc1O
49306 CC(C)c1cc(no1)C(=O)Nc1ccc2OCOc2c1
49307 COc1cccc(c1)-c1cc(no1)C(=O)N1CCCCCC1
49308 COCCNC(=O)c1cc(on1)-c1cccs1
49309 COc1ccc(cc1)C(=O)c1oc2ccc(OC)cc2c1N
49310 Clc1ccc(cc1)-n1ncc2c(NCC=C)ncnc12
49311 Nc1c(oc2ccccc12)C(=O)Nc1ccc(Cl)cc1
49312 CCCCNc1ncnc2n(ncc12)-c1ccc(Cl)cc1
49313 Clc1ccc(s1)C(=O)Nc1ccc2sccc2c1
49314 Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1
49315 Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1
49316 Cc1cccc(c1)-n1ncc2c(NC3CCCCC3)ncnc12
49317 O=C(Nc1nc(cs1)-c1nc2ccccc2s1)C1CC1
49318 CC(=O)Nc1nc2ccc(cc2s1)-c1nc2ccccc2o1
49319 O=C(CCCc1ccccc1)N1CCc2ccccc12
49320 COc1ccc(NC(=O)c2cc3ccccc3o2)cc1
49321 COc1ccc(cc1)C(=O)Nc1cccc(OC)c1
49322 Clc1cccc(c1)-c1ccc(o1)C(=S)N1CCOCC1
49323 Cc1ccc(s1)-c1nc2ccccc2[nH]1
49324 Cc1cc(NC(=O)c2ccccc2)sc1C
49325 CCCCNc1ncnc2n(ncc12)-c1ccccc1
49326 CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(F)c1
49327 Clc1ccc(-c2nnc(SCC=C)o2)c(Cl)c1
49328 O=C1N2C(c3ccccc13)C1=C(CC(CC1=O)c1ccco1)Nc1ccccc21 |t:12|
49329 Cc1ccc(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1
49330 COc1ccc(cc1OC)-c1cc(n[nH]1)-c1ccccc1O
49331 CCOC(=O)NC(N)=Nc1nc2ccccc2s1 |w:8.8|
49332 c1ccc2c(c1)nc1c3ccccc3nnn21
49333 CN(C)\C=N\c1ccc2nn(nc2c1)-c1ccccc1
49334 O=C(COC(=O)c1ccccc1)c1cccs1
49335 Cc1occc1C(=O)Nc1ccc2ccccc2c1
49336 CCCCOC(=O)Nc1ccc(cc1)N1CCCCC1
49337 C1Oc2ccc(cc2O1)-c1nc2ccccc2s1
49338 Cn1c(SCc2ccc(cc2Cl)C#N)nc2ccccc12
49339 COc1ccc(cc1)C(=O)Nc1cccc(C)c1
49340 Brc1ccc(o1)C(=O)Nc1nc2CCCCc2s1
49341 COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 |c:8|
49342 CCC(=O)Nc1ccc2oc(nc2c1)-c1ccccc1Br
49343 CC(CC(=O)c1ccncc1)=Nc1ccccc1O |w:11.12|
49344 Clc1ccc(NC(=O)COc2ccccc2Cl)nc1
49345 CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1
49346 Cc1ccc(cc1)-c1noc(n1)-c1ccccc1Br
49347 Clc1ccc(cc1Cl)-c1ccc(o1)C(=S)N1CCOCC1
49348 Cc1cccn2cc(nc12)-c1ccc(F)cc1
49349 O=C(NC1CCCCC1)Nc1ccc2OCCOc2c1
49350 CC(C)(C)C(=O)Nc1nc(ns1)-c1ccccc1
49351 O=C(Nc1nccs1)\C=C/c1ccccc1
49352 CCOc1ccc(cc1)-c1nc(no1)-c1cccnc1
49353 CCc1ccc(s1)C(=O)\C=C\c1cnn(C)c1C
49354 Cc1ccccc1\C=C1/CCCc2ccccc2C1=O
49355 O=C(Nc1ccccc1)c1cc2ccccc2o1
49356 Cc1ccc(cc1)-c1nnc(o1)-c1ccccc1
49357 COc1ccc(cc1)-c1cn2ccc3ccccc3c2n1
49358 CCCCSc1ncc(C(=O)OCC)c(N)n1
49359 O=C(Nc1ccccc1)N1CCc2ccccc12
49360 CCCCc1ccc(nc1)-c1ccc(Br)cc1O
49361 CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
49362 Cc1cccnc1Nc1nc(cs1)-c1ccc(O)cc1
49363 COc1cccc(CNc2cnc3ccccc3c2)c1O
49364 Oc1ccc(CN2CCCCC2)c2cccnc12
49365 Oc1ccc(cc1O)-c1csc(n1)-c1ccccc1
49366 Fc1ccccc1Cn1nnc(n1)-c1ccc2OCOc2c1
49367 Fc1cccc(F)c1CSc1nc2ccccc2[nH]1
49368 CC(=O)c1cnc2cc(nn2c1C)-c1ccc(C)cc1
49369 CCCCc1ccc(nc1)-c1ccc(Br)cc1
49370 Cc1ccc(cc1N)-c1nc2ccccc2[nH]1
49371 BrC(C=NNC(=O)c1[nH]nc2CCCc12)=Cc1ccccc1 |w:3.3,15.17|
49372 COc1ccc(cc1OC)C(=O)CC=Nc1ccc(C)cn1 |w:14.15|
49373 CN(C)c1ccc(cc1)C(=O)c1ccc(N(C)C)c2ccccc12
49374 COc1ccc(cc1)C(=O)Nc1cc(OC)nc(OC)n1
49375 O=C(Cc1ccccc1)Nc1nc2ccccc2s1
49376 Cc1cccc(Nc2nc(cs2)-c2cccs2)n1
49377 COc1ccc(cc1)-c1csc(Nc2ncccc2C)n1
49378 COc1c(C)cccc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
49379 O=Cc1cn(nc1-c1ccc2OCCOc2c1)-c1ccccc1
49380 Clc1ccc(cc1)-c1csc(NCC=C)n1
49381 Cc1cccnc1Nc1nc(cs1)-c1ccccn1
49382 O=C(Nc1ccccc1)c1ccc2OCCOc2c1
49383 Clc1ccc2nc(NC(=O)c3ccco3)sc2c1
49384 COc1ccc(cc1)N=CCC(=O)c1ccc2OCOc2c1 |w:8.8|
49385 Nc1cccc(c1)-c1nc2ccccc2s1
49386 CC(C)CC(=O)Nc1ccc2c(c1)oc1ccccc21
49387 COc1ccc(OCc2cccc(c2)C(=O)Nn2cc(cn2)[N+]([O-])=O)cc1
49388 O=C1CCOc2cc(OCc3ccccc3)ccc12
49389 O=C(CCC(=O)c1cccs1)c1cccs1
49390 Cc1ccc(-c2cc([nH]n2)-c2ccccc2C)c(O)c1
49391 Cc1ccc(cc1)-n1cc2ccc(cc2n1)[N+]([O-])=O
49392 Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)ccc2c1N
49393 Clc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
49394 Cc1nn(C)cc1\C=C\C(=O)c1cccs1
49395 Nc1ccccc1C(=O)\C=C\c1ccc2OCOc2c1
49396 COc1cccc(c1)[C@@H]1Oc2ccc(OC)cc2C(O)C1=O
49397 Nc1ccc2oc(cc(O)c2c1=O)-c1ccccc1Cl
49398 Cc1ccc(cc1)-c1cc(O)c2cc(C)ccc2n1
49399 COc1ccccc1-c1nc(no1)-c1ccc(Br)o1
49400 Fc1ccccc1N1CCN(CC1)c1cnc2ccccc2n1
49401 Cc1cccc(c1)-c1cc2C(=O)c3ccccc3-c2nn1
49402 Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 |t:8|
49403 C1CN(CCN1c1ccccc1)c1cnc2ccccc2n1
49404 CNc1nc(nnc1-c1ccccc1)-c1ccccn1
49405 Cc1ccn2n(C(=O)c3ccco3)c(=S)nc2c1
49406 COc1ccc(cc1)C1=Nc2cc(C)ccc2OC1 |t:9|
49407 Brc1ccc(cc1)-n1ncc2ccccc2c1=O
49408 C(CSc1ncccn1)Oc1ccc2CCCc2c1
49409 Cc1ccc(CN=Nc2nnc(Cl)c3ccccc23)cc1 |w:7.7|
49410 Cc1snc2sc(C(=O)c3ccc(C)cc3)c(N)c12
49411 COc1ccc(Nc2nc(cs2)-c2cccs2)c(OC)c1
49412 C(c1ccccc1)n1ccc(n1)-c1cnc(s1)-c1ccccc1
49413 CCOc1ccc2nc(NC(=S)N(C)C)sc2c1
49414 COc1ccc(NC(=O)Nc2ccccc2F)cc1
49415 CCCCn1cnc2sc(cc2c1=O)-c1ccccc1
49416 Brc1ccccc1OCCCn1cnc2ccccc12
49417 CCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
49418 Cc1ccc(C)c(NC(=S)c2ccccn2)c1
49419 C1Cc2nc(cn2C1)-c1ccc(cc1)-c1ccccc1
49420 O=c1oc(nc2sc3CCCCc3c12)-c1ccccc1
49421 Clc1ccc(cc1)C(=O)\C=C\Sc1ccccc1
49422 COc1cccc(c1)-c1nc2ccccc2s1
49423 Cc1ccc(cc1C)N=CC(C#N)c1ccsc1 |w:8.8|
49424 O=C(c1ccccc1)n1ccc(n1)-c1cnc(s1)-c1ccccc1
49425 Clc1ccc(NC(=O)C2=Cc3ccccc3OC2)c(Cl)c1 |t:8|
49427 CCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1
49428 CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
49429 Clc1ccc(s1)C(=O)Nc1ccc2OCOc2c1
49430 CCC(=O)Nc1nc(cs1)-c1ccc2OCCOc2c1
49431 O=C(\C=C\Sc1ccccc1)c1ccccc1
49432 Fc1ccc(NN=C(C#N)C(=N)N2CCCCC2)cc1 |w:6.5|
49433 NC(=NOC(=O)C=Cc1ccccc1)c1ccccc1 |w:2.2,7.7|
49434 O=C(CSCc1ccccc1)N1CCc2ccccc12
49435 Cc1ccc(S\C=C/C(=O)c2ccccc2)cc1
49436 Cc1ccc(Cc2cnc(NC(=O)c3ccco3)s2)cc1
49437 COc1ccc(C(=O)\C=C\c2cccs2)c(OC(=O)c2cccc(c2)[N+]([O-])=O)c1
49438 COc1ccc(cc1)-c1nc(no1)-c1ccc(Br)o1
49439 Clc1ccc(CSc2nc3ccncc3[nH]2)cc1
49440 CCOC(=O)C1=C(C)[N+]2=C([N-]C1c1ccc(O)c(OC)c1)S\C(=C/c1cccc(c1)[N+]([O-])=O)C2=O |c:5,8|
49441 O=c1oc2ccccc2cc1-c1nnc(NCc2ccco2)s1
49442 O=C1\C(CCc2ccccc12)=C\c1cccs1
49443 Cn1cccc1\C=C1/CCC\C(=C/c2cccn2C)C1=O
49444 CCc1ccc(cc1)C1=NN(C(C1)c1cccs1)S(C)(=O)=O |t:9|
49446 NC(=O)c1ccccc1N=CCC(=O)c1ccc(Cl)cc1Cl |w:9.9|
49447 Brc1ccc(cc1)-c1ncc(cn1)-c1ccccc1
49448 COc1ccc(NC(=O)N2CCc3ccccc23)cc1
49449 CCCOc1ccc(cc1)C(=O)Nc1ccc(Cl)cn1
49450 Cc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
49451 COc1ccc(cc1)-c1noc(n1)-c1ccc(C)cc1
49452 CCC(C)c1ccc(NC(=O)c2cccs2)cc1
49453 CN1\C(Sc2ccccc12)=C\C(=O)c1cccs1
49454 CC(=Nc1ccccc1)c1sc2ccccc2c1O |w:2.2|
49455 CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O |w:2.2|
49456 Oc1ccc2occ(C(=O)c3ccc(Cl)cc3)c2c1
49457 Clc1ccc(NN=C(C#N)C(=N)N2CCCCC2)cc1 |w:6.5|
49458 COc1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O
49459 CCCSC(N)=NN=Cc1cc(C)ccc1O |w:4.3,7.6|
49460 CN1CCN(Cn2cc(\C=C\C(=O)c3ccccc3)c3ccccc23)CC1
49461 CCSC(N)=NN=Cc1cc(C)ccc1O |w:3.2,6.5|
49462 Oc1ccc(F)cc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
49463 COc1ccc(cc1)C(=O)\C=C\c1cn(CN2CCN(C)CC2)c2ccccc12
49464 CCOC(=O)c1sc2nc3CC(C)(CC)OCc3cc2c1N
49465 Cc1ccc(C)c(NC(=O)c2ccc3ccccc3n2)c1
49466 Fc1ccccc1CSc1nc2ccccc2[nH]1
49467 Cc1nc(N)sc1N=Nc1ccc(Br)cc1 |w:8.9|
49468 Cc1ccc(s1)C(=O)Nc1ccc2nc(C)sc2c1
49469 O=C(Nc1nc2ccccc2s1)C1COc2ccccc2O1
49470 Cc1cccc(NC(=O)c2ccc3ccccc3n2)c1C
49471 COc1cccc(\C=C\C(=O)c2ccc[nH]2)c1
49472 CC(C)(C)C(=O)Nc1nc(cs1)-c1ccc2OCOc2c1
49473 COc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
49474 Cc1sc(NC(=O)c2ccco2)nc1-c1ccccc1
49475 COc1ccc(cc1)-c1coc2cc(OC)cc(O)c2c1=O
49476 O=C(CC=Nc1ccccc1)c1ccccc1 |w:4.4|
49477 NC(=O)c1ccccc1N=CCC(=O)c1ccc(Cl)cc1 |w:9.9|
49478 Cc1ccc(-c2cc([nH]n2)-c2cccs2)c(O)c1
49479 Cc1cc(C)c2nc(NC(=O)C3CCCO3)sc2c1
49480 Cc1cc(C)c[n+](c1)-c1nc2ccccc2nc1[C-](C#N)C#N
49481 N(c1nc2ccccc2o1)c1ccccc1
49482 Cc1ccc(cc1)S(=O)(=O)NC(=NC(=S)Nc1ccccc1)c1ccccc1 |w:12.13|
49483 COc1ccc(CN=Nc2nc3ccccc3o2)cc1O |w:8.8|
49484 COc1ccc(Nc2nc(cs2)-c2ccccc2)cc1
49485 CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3o2)ccc1C
49486 CCOC(=O)c1sc(NC(=O)c2ccccc2)cc1C
49487 O=C(Nc1ccc2CCCc2c1)c1cc2ccccc2o1
49488 CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
49489 CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccccc1Br
49490 FC(F)(F)COC(=O)c1cccc(COc2ccc3ccccc3c2)c1
49491 CCOC(=O)c1nn(cc1C(=O)c1ccccc1)-c1ccc(C)cc1
49492 Cc1nn(C)cc1\C=C\C(=O)c1ccccc1
49493 Brc1ccc(s1)-c1cn2ccccc2n1
49494 CCOC(=O)c1nn(cc1C(=O)c1cccc2ccccc12)-c1ccc(Br)cc1
49495 CCOC(=O)c1cc(nn1C)C(=O)Nc1cccc(C)c1
49496 CCCC#C\C=C1\Cn2c(S1)nc1ccccc21
49497 Fc1ccccc1-c1nc2cc(NC(=O)c3nnc[nH]3)ccc2o1
49498 Cc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1
49499 COc1ccc(OC(=O)c2cnn(c2C)-c2ccccc2)cc1
49500 CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccccc1
49501 O=[#6](\[#6]=[#6]\c1ccco1)/[#6]=[#6]-1\[#16]-[#6]-[#6]-[#16]-1
49502 Cc1ccccc1C(=O)ON=C1CCS(=O)(=O)c2sccc12 |w:10.10|
49503 Cn1cccc1C(=O)C(=O)Nc1ccc(Cl)cc1
49504 FC(F)(F)c1cc(Cl)c2nc(cn2c1)-c1ccccc1
49505 Cn1cccc1C(=O)C(=O)Nc1ccccc1
49506 Clc1ccccc1C(=O)Nc1ccc2sc3ccccc3c(=O)c2c1
49507 Cc1ccc(CN=C2Nc3ccccc3CS2)cc1 |w:6.5|
49508 COc1ccc(CN=C2Nc3ccccc3CS2)cc1 |w:7.6|
49509 COc1ccc(CSc2nc3ccccc3[nH]2)cc1
49510 O=C(Nc1ccc2ccccc2c1)c1onc2CCCCc12
49511 CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1ccc(OCC)cc1
49512 Cc1ccc(\C=C2/Sc3ccccc3C2=O)s1
49513 Cc1ccc2sc(NC(=O)CSc3nc(C)cc(C)c3C#N)nc2c1
49514 COc1ccc(NC(=O)c2csc3CCCCc23)cc1
49515 CC(=O)Nc1cccc(c1)-c1csc(Nc2cccc(C)n2)n1
49516 CC(=O)Nc1cccc(c1)-c1csc(Nc2ccccn2)n1
49517 Fc1ccc(cc1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F
49518 Clc1cccc(Cl)c1\C=C\c1nc2ccccc2[nH]1
49519 CSc1ccccc1-c1nnc(o1)-c1ccccc1
49520 Clc1ccccc1Nc1ncc(s1)C(=O)c1ccccc1
49521 Cc1ccc(cc1)C(=O)Nc1ccc2nccnc2c1
49522 CCNC(=O)ON=C(C)c1sc(nc1C)-c1ccc(Cl)cc1 |w:6.5|
49523 CCSc1ncc(CN=Nc2ccc(Cl)cc2)n1C |w:9.9|
49524 COc1ccc(NC=C2SC(=O)c3ccccc23)cc1 |w:7.6|
49525 O=C1SC(=CNc2ccccc2)c2ccccc12 |w:4.4|
49526 Cc1ccc(NC=C2SC(=O)c3ccccc23)cc1 |w:6.5|
49527 Nc1cccc(c1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F
49528 C(N=Nc1nc2ccccc2s1)c1cccs1 |w:2.2|
49529 C(N=Nc1nc2ccccc2s1)c1ccco1 |w:2.2|
49530 CCC(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1
49531 Cc1ccccc1-c1cc(on1)-c1ccccc1O
49532 Oc1ccccc1-c1cc(no1)-c1ccccc1
49533 O=C(Cc1nc(=O)c2ccccc2s1)Nc1ccccc1
49534 Clc1c(sc2ccccc12)C(=O)NC1=NCCS1 |t:15|
49535 C(N=Nc1nc(cs1)-c1ccccc1)c1cccs1 |w:2.2|
49536 Oc1ccc(CN=Nc2cccc3cccnc23)c(O)c1 |w:7.7|
49537 Cc1ccc(cc1)C(=O)CC=Nc1ccc2OCOc2c1 |w:11.12|
49538 Fc1cccc(c1)N=CCC(=O)c1cccs1 |w:7.7|
49539 Cc1ccc(\C=C2/OC(=O)c3ccccc23)cc1
49540 CCn1c(\C=C\c2ccccc2)nc2ccccc12
49541 Cc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)s1
49542 Oc1ccccc1CN=Nc1cccc2cccnc12 |w:9.10|
49543 NC(=O)c1ccccc1N=CCC(=O)c1cccs1 |w:9.9|
49544 COc1cc(SC)ccc1C(=O)NCCOc1ccccc1Cl
49545 Cc1ccc(NC(=O)\C=C\c2cccs2)c(c1)[N+]([O-])=O
49546 NC(=NOC(=O)c1ccccc1Cl)c1ccccc1 |w:2.2|
49547 O=C(NC(=S)Nc1ccc2OCOc2c1)c1ccccc1
49548 NC(=NOC(=O)c1ccc(Br)cc1)c1ccccc1 |w:2.2|
49549 NC(=NOC(=O)c1cccc(Br)c1)c1ccccc1 |w:2.2|
49550 Cc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1
49551 C=CCNc1oc(\C=C\c2ccccc2)nc1C#N
49552 Cc1ccc(C(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)c(C)c1
49553 CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1 |c:5|
49554 Cc1ccc(CN=Nc2cccc3cccnc23)c(O)c1 |w:7.7|
49555 CC(=O)Nc1ccc(cc1)\N=N\c1ccccc1
49556 Cc1cccc(NC(=O)\C=C\c2ccc3OCOc3c2)n1
49557 Cc1c(csc1-c1ccccc1)C(=O)Nc1ccccc1[N+]([O-])=O
49558 CCCc1ccc(OC(=O)NC(=O)CCSC(=S)N(CC)CC)cc1
49559 CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(cc1)C(C)C
49560 CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(C)cc1
49561 CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccc(cc1)C(C)(C)C
49562 Fc1ccc(cc1F)N=CCC(=O)c1cccs1 |w:8.8|
49563 Fc1c(F)c(F)c(N=NCc2c[nH]c3ccccc23)c(F)c1F |w:7.6|
49564 CC(=O)Nc1cccc(c1)-c1csc(Nc2ccc(C)cn2)n1
49565 CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1)[N+]([O-])=O
49566 COc1ccc2C(=O)\C(COc2c1)=C/c1cccs1
49567 COc1ccc2nc(SCc3ccccc3)nc(C)c2c1
49568 CC(=O)Oc1ccc(Cl)cc1\C=C\c1ccc2ccccc2n1
49569 C(=C/c1ccccc1)\c1nc(no1)-c1ccccc1
49570 [O-][N+](=O)c1cc(Cl)ccc1-c1nc(no1)-c1ccccc1
49571 Cc1ccc(NC(=O)C(\Cl)=C\c2ccccc2)cc1C
49572 Cc1cccc(c1)-c1noc(n1)-c1ccc(Cl)cc1[N+]([O-])=O
49573 Fc1ccccc1N=CCC(=O)c1cccs1 |w:7.7|
49574 N#C\C(=C\c1ccco1)c1nc2ccccc2s1
49575 [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1ccc[n-]1 |w:9.9|
49576 Nc1ccc(cc1)-c1nc2ccc(cc2s1)C(O)=O
49577 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
49578 Cc1ccc(\C=C\C(=O)NC2=NCCS2)cc1 |t:10|
49579 Oc1cc(nc2ccccc12)C1C(=O)c2ccccc2C1=O
49580 Cn1cc(c(n1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1)[N+]([O-])=O
49581 COc1ccc2C(=O)N(O)C(=O)c3cccc1c23
49582 [H][C@]12OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@](C)(C13)c1cc(=O)oc(C(C)C)c1[C@H]2O
49583 COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:7.7|
49584 CN(C)c1ccc(C=NNC(=O)c2ccco2)cc1 |w:8.8|
49585 COc1ccc2C(Nc3nc(cs3)-c3cc4ccccc4oc3=O)OC(=O)c2c1OC
49586 Cc1c(oc2ccccc12)C(=O)N1CCc2ccccc12
49587 Nc1nc(nc2sc3CCCCc3c12)-c1ccccc1
49588 COC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1
49589 O=C1\C(CCC\C1=C/c1ccco1)=C/c1ccco1
49590 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)NC2CC2)nc1
49591 O=C(Nc1nc2ccccc2s1)c1ccc2OCOc2c1
49592 NC(=NOC(=O)COc1ccccc1Cl)c1ccccn1 |w:2.2|
49593 COc1c(Cl)cc(Cl)cc1\C=C\C(=O)c1ccc(NC(=O)c2cccs2)cc1
49594 O=C(Nc1ccc2OCCOc2c1)c1cccs1
49595 CCOc1ccc(NC(=O)c2ccco2)c(c1)[N+]([O-])=O
49596 Fc1ccccc1\C=C\c1ccc2ccccc2n1
49597 CCOC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1
49598 CCCCOc1ccc(cc1[N+]([O-])=O)-c1csc(N)n1
49599 COc1ccc2C(=O)\C(CCc2c1)=C/c1ccco1
49600 Cc1ccsc1CN=Nc1nc2ccccc2s1 |w:8.9|
49601 Cc1ccc(CN=Nc2nc3ccccc3s2)o1 |w:7.7|
49602 CCCC(O)(CCC)C(=O)NN(C(=O)CCl)c1ccccc1
49603 Cc1ccc(NC(=O)c2scc3CCCCc23)cc1
49604 CCOc1ccc2nc(sc2c1)C(=O)N1CCCC(C)C1
49605 OC(=O)c1ccc2nc(sc2c1)-c1ccccc1
49606 Clc1ccc(cc1Cl)-c1cn2cc(Br)ccc2n1
49607 NC(=NOC(=O)c1cccc(Cl)c1)c1ccccn1 |w:2.2|
49608 COc1ccc2C(Nc3nc(cs3)-c3ccc(cc3)-c3ccccc3)OC(=O)c2c1OC
49609 Clc1ccc(cc1Cl)-c1cn2Cc3ccccc3-c2n1
49610 OC(=O)c1ccc(COc2ccc(\C=C(/C#N)C(=O)N3CCOCC3)cc2)cc1
49611 CN(C)c1ccc(cc1)C(=O)\C=C\c1ccco1
49612 CCN(CC)c1ccc(cc1)\N=N\c1nn(C)c(C)c1[N+]([O-])=O
49613 O=C(\C=C\c1c[nH]c2ccccc12)c1ccccc1
49614 CC1=CN2C(S1)=NC(=O)\C(=C/c1ccco1)C2=N |c:6,t:1|
49615 Clc1ccc2oc(cc(=O)c2c1)-c1ccc2OCCOc2c1
49616 Cc1ccnc(NC(=O)\C=C\c2ccccc2Cl)c1
49617 Cc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)S(C)(=O)=O |t:8|
49618 COc1ccc(\C=C\c2nc3ccccc3n2Cc2ccccc2OC)cc1
49619 COc1ccc(\C=C\c2nc3ccccc3n2Cc2ccc(OC)c(OC)c2)cc1
49620 Cc1ccc-2c(c1)\C(=N/C1CCCCC1)c1cc3ccccc3nc-21
49621 CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSC(=S)N(CC)CC
49622 NC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1
49623 O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(cc1)-c1nc2ccccc2s1
49624 Cc1ccc(cc1)C(=O)Nc1nnc(SCC(=O)N2CCCc3ccccc23)s1
49625 Brc1ccc(NC(=O)\C=C\c2cccs2)nc1
49626 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1
49627 CC(C)(C)c1ccc2C(=O)c3ccccc3C(=O)c2c1
49628 Nc1ccc(O)cc1C(=O)OCC(=O)c1ccc(cc1)C1CCCCC1
49629 Cc1ccc2nc(sc2c1)-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
49630 CCc1ccc(cc1)C(=O)CN1CCSC1=N
49631 CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
49632 COCCNC(=S)NN=C(C)c1ccccc1O |w:8.7|
49633 Cn1ccc(n1)C(=O)Nc1ccc(Br)cc1Br
49634 CC(=O)Nc1ccc2nc(cn2c1)-c1ccccc1
49635 Cc1ccc2nc(\C=C\c3cccc(F)c3)ccc2c1
49636 O=C(\C=C\c1cccs1)N1CCc2ccccc12
49637 CC1CC1C(=O)OCC(=O)Nc1ccc(cc1)\N=N\c1ccccc1
49638 Clc1cc(CN=O)ccc1OCc1ccccc1
49639 CC(C)CC(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
49640 Nc1nn(c(N)c1N=Nc1ccc2OCOc2c1)-c1ccccc1 |w:8.9|
49641 Brc1cc(CN=O)ccc1OCc1ccccc1
49642 Brc1ccc(cc1)C(=O)NCCSc1ccccc1
49643 Cc1ccc(cc1)N=Nc1c(N)nn(c1N)-c1ccccc1 |w:7.7|
49644 Oc1ccccc1C(=O)c1cnn(c1)-c1ccccc1
49645 C=CC\N=c1/scc(-c2ccccc2)n1N=Cc1ccccn1 |w:15.16|
49646 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1
49647 CC(Cc1ccccc1)=CN=Nc1nc2ccccc2[nH]1 |w:11.12,9.10|
49648 Cc1nn(c(Cl)c1CN=Nc1cccc(c1)C(O)=O)-c1ccccc1Cl |w:9.10|
49649 CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
49650 Cc1nc(Nc2ccccc2)sc1-c1ccccc1
49651 CCCCNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
49652 Fc1ccc(cc1)C(=O)Nc1ccc2CCCc2c1
49653 CCN1C\C(=C\c2ccc(cc2)N2CCOCC2)C(=O)\C(C1)=C\c1ccc(cc1)N1CCOCC1
49654 CC(N=Nc1nc2ccccc2[nH]1)c1cccs1 |w:3.3|
49655 Cc1ccsc1C(=O)Nc1ccc2OCCOc2c1
49656 Cc1ccsc1CN=Nc1nc2ccccc2[nH]1 |w:8.9|
49657 O=C(Nc1ccc2CCCc2c1)c1ccccc1
49658 Brc1ccccc1CN=Nc1ccc2ccccc2n1 |w:9.10|
49659 Fc1ccccc1C(=O)Nc1ccc2CCCc2c1
49660 CCOC(=O)c1sc(NC(=O)Nc2ccccc2)cc1C
49661 COC(=O)c1ccc(cc1)-c1nc2ccccc2[nH]1
49662 Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
49663 Fc1cccc(c1)C(=O)Nc1ccc2CCCc2c1
49664 COc1ccccc1\C=C\C(=O)Nc1ccc2CCCc2c1
49665 COCCNc1nc(cs1)-c1cc2ccccc2o1
49666 COc1cccc(c1)N(C(=O)c1nc2nccc(C)n2n1)c1nc2ccccc2s1
49667 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)cc1
49668 COc1cc(CN=Nc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F |w:7.7|
49669 Cc1ccc(Nc2nc3ccccc3s2)c(C)c1
49670 Cc1cccc(Nc2nc3ccccc3s2)c1C
49671 CCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C
49672 CN(c1ccccc1)c1ccc(C=NN2CCOCC2)cc1 |w:13.14|
49673 Cc1nn(c(Cl)c1CN=Nc1cccc(c1)C(O)=O)-c1cccc(c1)C(F)(F)F |w:8.8|
49674 Cc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)s1 |w:7.7|
49675 Cc1ccc(CN=Nc2cccc(c2)C(O)=O)s1 |w:7.7|
49676 OC(=O)c1cccc(c1)N=NCc1cccs1 |w:9.9|
49677 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2ccc(=O)[nH]c2)cc1
49678 CC(=O)Nc1ccc(cc1)N=Nc1ccc(O)cc1 |w:10.10|
49679 COc1ccc(cc1OC)C(C)N=Nc1ccc(cc1)C(O)=O |w:13.14|
49680 Cc1nn(c(Cl)c1CN=Nc1ccc(Cl)c(c1)C(O)=O)-c1ccccc1 |w:9.10|
49681 OC(=O)c1cc(ccc1Cl)N=NCc1ccc2OCCOc2c1 |w:10.10|
49682 CCc1ccc(NC(=O)c2cnn(c2C)-c2ccccc2)cc1
49683 CN(C)C(=O)Oc1ccc(cc1)-c1cn2cc(Cl)ccc2n1
49684 CC(C)c1ccc(C=NNC(=O)c2c(Cl)cnn2C)cc1 |w:8.8|
49685 COC(=O)c1ccc(nc1C)-c1ccc(Cl)cc1
49686 COC(=O)c1cccc(NC(=O)c2onc3CCCCc23)c1
49687 Nc1nn(c(N)c1N=Nc1ccccc1F)-c1ccccc1 |w:7.7|
49688 Brc1ccc(cc1)N=CCC(=O)c1cccnc1 |w:7.7|
49689 Fc1cccc(c1)C1=NNC(S1)c1ccccc1 |t:8|
49690 CC(C)c1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1 |w:8.8|
49691 CN1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccs2)CC1
49692 Nc1nn(c(N)c1N=Nc1ccccc1)-c1ccccc1 |w:7.7|
49693 Cc1cc(C)n2cc(COc3ccc4ccccc4c3)nc2n1
49694 Cc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1
49695 COc1ccc2nc(SCC(C)=O)c(cc2c1)C#N
49696 Cc1ccsc1C(=O)NN=Cc1ccc2OCOc2c1 |w:9.9|
49697 CCCC(=O)Nc1ccc(cc1)C(=O)NN=Cc1ccc[nH]1 |w:15.15|
49698 O=C(Nc1ccccc1)c1nc2ccccc2s1
49699 COc1ccc(NC(=O)c2nc3ccccc3s2)cc1
49700 Oc1ccc(cc1)-c1cn2cc(ccc2n1)C(F)(F)F
49701 COc1ccccc1\C=C\C(=O)Nc1ccc2OCCOc2c1
49702 CC(OC(=O)c1ccccc1[N+]([O-])=O)C(=O)c1ccc(C)cc1
49703 CSc1ccc(cc1)C(=O)\C=C\c1ccc(N)cc1
49704 COc1ccc(cc1)C(=O)NCCSc1ccccc1
49705 COc1ccc2C(CCc2c1)=NOC(=O)c1cccc(C)c1 |w:11.13|
49706 NC(=NOC(=O)COc1ccc(Br)cc1Cl)c1ccccn1 |w:2.2|
49707 COc1cc([CH-]N=[OH+])ccc1OCc1ccc(cc1)[N+]([O-])=O
49708 CC(C)c1ccc(\C=C\C(=O)Nc2nncs2)cc1
49709 O=C(Nc1ccc2OCOc2c1)c1ccc2OCOc2c1
49710 Fc1ccc(cc1F)N=CCC(=O)c1ccc(Br)cc1 |w:8.8|
49711 CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccccc1
49712 Cc1ccc(\C=C\C(=O)N2CCc3ccccc23)o1
49713 Cc1csc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)n1
49714 CC(C)Oc1cccc(c1)C(=O)Nc1ccc(Br)cc1F
49715 COc1ccc(cc1Br)-c1cn2cc(C)ccc2n1
49716 [O-][N+](=O)c1ccc(s1)C1=[N+]2N[C-](CC2c2ccccc2O1)c1ccccc1 |c:9|
49717 [#6]-[#8]-c1ccc(-[#7]\[#6](-[#6])=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1
49718 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-[#6]
49719 Fc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl
49720 Clc1ncccc1-c1nnn(n1)-c1ccccc1
49721 Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl
49722 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(s3)[N+]([O-])=O)cc2)n1
49723 CCCSc1nsc(NC(=O)CCC)n1
49724 Oc1ccc(cc1)-c1csc(Nc2ncccn2)n1
49725 Clc1ccc(cc1)C(=O)NCCSc1ccccn1
49726 Fc1ccc(NN=C(C#N)C(=N)N2CCCCCC2)cc1 |w:6.5|
49727 Fc1cccc(NN=C(C#N)C(=N)N2CCCCCC2)c1 |w:7.6|
49728 Cc1ccc(OCc2nc(no2)-c2cccs2)c(c1)[N+]([O-])=O
49729 [#7-]\[#6](-[#6](-[#7]=[#7]-c1ccc(cc1)-[#7+](-[#8-])=O)C#N)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1 |w:3.2|
49730 [O-][N+](=O)c1ccc(F)cc1OCc1nc(no1)-c1cccs1
49731 CCOc1cc(CN=Nc2cccc(c2)C(O)=O)ccc1OC(=O)c1ccccc1 |w:8.8|
49732 Cc1ccsc1C=C1CCC(C2CCCC2)C1=O |w:6.6|
49733 C\C(C=NNC(=O)c1cccs1)=C/c1ccccc1 |w:3.3|
49734 Clc1ccccc1-c1nnc(o1)-c1ccc2OCOc2c1
49735 CN(C)c1ccc(cc1)-c1nnc(o1)-c1cccs1
49736 Cc1ccc(OCC(=O)Nc2ccccc2[N+]([O-])=O)c(Br)c1
49737 COc1ccc2C(CCc2c1)=NOC(=O)c1ccccc1C |w:11.13|
49738 Cc1ccc(NC(=O)c2noc3CCCc23)cc1C
49739 CCCNC(=O)c1noc-2c1CCc1cc(OC)ccc-21
49740 CC(C)Oc1ccc(cc1)C(=O)NC1=NCCS1 |t:14|
49741 COc1cc(CN=O)ccc1OCc1ccccc1Cl
49742 Cc1ccc2sc(nc2c1)-c1ccc(NC(=O)\C=C/C(O)=O)cc1
49743 Cc1ccc(Nc2nc(cs2)-c2ccc(O)c(O)c2)nc1
49744 Fc1ccc(cc1)C(=O)Nc1nc2ccccc2s1
49745 CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCN4CCCCC4C)n3)c(=O)oc12
49746 O=C(NCCC1=CCCCC1)Nc1ccc2nsnc2c1 |t:5|
49747 COc1cccc(c1)-c1noc(n1)-c1ccc2OCOc2c1
49748 Cc1nc(cs1)-c1ccc(cc1)C(=O)Nc1cccc(Br)c1
49749 Cc1ccc2nc3cc(cc([N+]([O-])=O)c3cc2c1)[N+]([O-])=O
49750 Fc1ccccc1CN1C(=O)N\C(=C\c2c[nH]c3ccccc23)C1=O
49751 CCOc1ccc(cc1Cl)C(=O)Nc1cccc(c1)C(O)=O
49752 COc1ccc(cc1)-c1csc(Nc2ccccn2)n1
49753 COc1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1(Cl)Cl
49754 [O-][N+](=O)c1ccccc1\C=C\C(=O)Nc1ccccc1
49755 CCCOc1ccc(cc1)C(=O)NCCc1ccccc1
49756 Cc1ccnc(NC(=O)\C=C\c2ccccc2[N+]([O-])=O)c1
49757 O=C(Nc1nc2ccccc2[nH]1)c1cc2ccccc2o1
49758 CC(=O)Nc1cccc(c1)-c1csc(Nc2ccc(Cl)cn2)n1
49759 COc1ccc(\C=C\C(=O)c2ccccc2)c(OC)c1
49760 Oc1cccc(NC(=O)\C=C\c2ccccc2Cl)c1
49761 COc1cc(SC)ccc1C(=O)Nc1ccc2OCOc2c1
49762 O=C(CCc1ccccc1)Nc1ccc2ccccc2n1
49763 Cc1ccc(Nc2nc(cs2)-c2ccc(O)cc2O)nc1
49764 CN(c1nc(cs1)-c1cccs1)c1ccc(O)cc1
49765 Oc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
49766 O=C(NCCCn1ccnc1)c1cc(on1)-c1ccccc1
49767 Cc1ccc2oc(nc2c1)-c1cccc(N)c1
49768 COCCNC(=O)C(=C\c1cc(C)n(c1C)-c1ccc(C)cc1)\C#N
49769 CC(=O)c1sc(N=NCc2ccccc2O)nc1C |w:6.5|
49770 Fc1ccc(NC(=O)C(\Cl)=C\c2ccccc2)cc1
49771 COc1ccc(cc1)C(=O)\C=C1/Sc2ccccc2N1C
49772 Brc1ccc(s1)C(=O)Nc1ccc2CCCc2c1
49773 Cc1ccc(cc1)-c1noc(n1)-c1ccccc1F
49774 NS(=O)(=O)c1cc(ccc1Cl)C(=O)OCC(=O)c1ccc2OCCOc2c1
49775 Cc1cc(O)ccc1Nc1nc(cs1)-c1cccs1
49776 Cc1ccc(NC(=O)N2CCc3ccccc23)cc1C
49777 O=C(Nc1ccc2OCOc2c1)Nc1ccc2OCCOc2c1
49778 Oc1cccc2ccc(\C=C\c3c(F)cccc3Cl)nc12
49779 Clc1ccccc1Oc1ccc(cc1)N=CCC(=O)c1ccco1 |w:14.15|
49780 CC(=NN1C(Nc2ccccc2C1=O)c1ccco1)c1ccccc1O |w:2.2|
49781 COc1ccccc1Oc1ccc(cc1)N=CCC(=O)c1ccco1 |w:15.16|
49782 Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=NCc1ccco1 |w:15.17|
49783 O=C(CC=Nc1ccc(Oc2ccccc2)cc1)c1ccco1 |w:4.4|
49784 CN(C)C(=S)Nc1nc2ccccc2s1
49785 Cc1nc(NC(=O)c2cccs2)ccc1Br
49786 COc1cccc(NC(=O)C(=S)NC2CCCCC2)c1
49787 COCCOCCn1c(\C=C\c2ccccc2)nc2ccccc12
49788 COc1ccc(-c2cc(n[nH]2)-c2ccccc2)c(O)c1
49789 Cc1ccccc1OCC(=O)Nc1cccc(c1)C(O)=O
49790 Fc1ccccc1C(=O)NC(=S)Nc1ccc2OCCOc2c1
49791 Cc1ccc(cc1C)N=CCC(=O)c1cccs1 |w:8.8|
49792 Cc1cc(NC(=O)Nc2ccccc2F)ccc1Br
49793 Oc1c(ccc2ccccc12)C1=NCCN=C(C1)C(F)(F)F |c:17,t:13|
49794 NC(=NOC(=O)c1cc(Br)ccc1Cl)c1ccccn1 |w:2.2|
49795 Cc1ccc(cc1)C(=O)Nc1ccc2CCCc2c1
49796 Clc1ccc2nc3c4ccccc4cnn3c2c1
49797 COC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
49798 Cc1ccc(OCCSc2ncccn2)c(C)c1
49799 Cc1cc(ccc1F)N=CCC(=O)c1cccs1 |w:8.8|
49800 Clc1ccc(cc1)C(=O)NCCC1=CCCCC1 |t:13|
49801 FC(F)(F)c1ccccc1N=CCC(=O)c1ccco1 |w:10.10|
49802 Cc1ccc(NC(=O)COc2ccccc2C=O)cc1Cl
49803 OC(=O)c1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
49804 Cc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2n1C
49805 Oc1cccc(CN=Nc2cccc3cccnc23)c1 |w:8.8|
49806 Nc1ccc(cc1)-c1nnc([nH]1)-c1ccccc1
49807 [O-][N+](=O)c1cccc(c1)-c1cn2ccccc2n1
49808 COc1cccc(CN=Nc2nccnc2Cl)c1O |w:8.7|
49809 Cc1cccc(C=Cc2nc3ccccc3c(=O)[nH]2)c1 |w:7.7|
49810 COc1ccc(cc1)-c1csc(Nc2ccc(O)cc2)n1
49811 Cc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
49812 [O-][N+](=O)c1ccc(o1)C(=O)NCc1cccnc1
49813 Nc1ccc(\C=C\C(=O)c2cccs2)cc1
49814 Nc1ccc(cc1)-c1nc2cc(N)ccc2s1
49815 O=C(Nc1ccc2CCCc2c1)c1cccs1
49816 CCc1ccc(cc1)-c1cn2CCSc2n1
49817 Fc1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
49818 O=C(CC=Nc1ccc2OCOc2c1)c1ccc2OCOc2c1 |w:4.4|
49819 O=C(CC=Nc1ccc2OCOc2c1)c1cccs1 |w:4.4|
49820 CC(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
49821 COc1cc(CN=O)ccc1OCc1ccc(Cl)cc1
49822 Br\C(C=NNC(=O)c1cccs1)=C/c1ccccc1 |w:3.3|
49823 CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C
49824 Fc1cccc2sc(C(=O)Nc3ccccn3)c(Cl)c12
49825 Cc1ccc(cc1)-c1cn2cccc(C)c2n1
49826 O=C(COc1ccc2ccccc2c1)Nc1nccs1
49827 CCOC(=O)c1sc2nc(ccc2c1N)-c1cccnc1
49828 COC(=O)c1sc2nc3CCCCc3cc2c1N
49829 CNc1nc(cs1)-c1ccc2N(CCc2c1)C(=O)c1ccccc1F
49830 Cc1ccc(cc1)-c1nnc(o1)-c1cccs1
49831 COc1cc(SC)ccc1C(=O)Nc1ccc(C)cc1
49832 NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1cccnc1 |w:2.2|
49833 NC(=NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|
49834 CCOC(=O)c1ccc(Nc2ncccc2[N+]([O-])=O)cc1
49835 O=C(Nc1nc2ccccc2s1)Nc1ccccc1
49836 COc1cccc(NC(=O)Nc2ccc3n(C)c(C)nc3c2)c1
49837 Clc1cc(NC(=O)c2cccs2)ccc1N1CCCC1
49838 Cc1cc(\C=C(/C#N)C(=O)Nc2ccccc2F)c(C)[nH]1
49839 Cc1nc(cs1)-c1ccc(NC(=O)c2ccccc2)cc1
49840 Nc1nc(nc2sc3CCCCc3c12)-c1cccnc1
49841 O=C(CCCc1ccccc1)Nc1ccc2OCCOc2c1
49842 Cc1ccn2cc(nc2c1)-c1cc2ccccc2oc1=O
49843 CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2F)c1C
49844 COc1ccc(Nc2nc3ccccc3s2)cc1
49845 COCC(=O)Nc1nnc(s1)-c1ccc(cc1)C(C)(C)C
49846 Clc1ccccc1Nc1nc(cs1)-c1cccnc1
49847 Nc1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
49848 Cc1ccccc1Nc1nc(N)c2ccccc2n1
49849 O=C(NC1CCCCC1)Nc1nc2ccccc2s1
49850 OCc1cn(nc1-c1cc2ccccc2o1)-c1ccccc1
49851 Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1nccs1
49852 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(Cl)cn1
49853 CCCOc1ccc(cc1)-c1cn2ccccc2n1
49854 CC(=O)c1ccc(Nc2ccc(nn2)-c2ccccc2F)cc1
49855 COC(=O)CSc1nc2ccc(C)cc2cc1C#N
49856 Brc1ccccc1N=CCC(=O)c1ccc2OCOc2c1 |w:7.7|
49857 CC(=O)CSc1nc2cc3OCCOc3cc2cc1C#N
49858 Cc1ccc(cc1)N1Cc2ccccc2C1=S
49859 Cc1ccc(\C=C\c2nc3ccccc3[nH]2)o1
49860 O=C(Nc1ccc2OCCOc2c1)c1cc2ccccc2o1
49861 COc1ccc(CN=Nc2ncccc2[N+]([O-])=O)c(OC)c1 |w:8.8|
49862 Fc1ccc(NC(=S)Nc2nccs2)cc1
49863 COc1ccc(C=NN=C(N)c2nonc2N)cc1 |w:7.7,9.9|
49864 CCOc1ccc(CN=Nc2ccccn2)cc1 |w:9.9|
49865 [#6]-1-[#6]-[#6]\[#6](-[#6]-1)=[#7]\[#7]-c1nc2ccccc2s1
49866 COc1ccc(\C=C/c2nc(=O)c3ccccc3o2)cc1
49867 Cc1ccc(NN=C(C#N)C(=N)N2CCCCCC2)cc1 |w:6.5|
49868 Cc1nn(c(N)c1-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O
49869 C\C(C=NNC(=O)c1ccco1)=C/c1ccccc1 |w:3.3|
49870 Nc1ccc2nc(SCc3cccc(F)c3)sc2c1
49871 CCOC(=O)c1cnc2c(cnn2c1C)-c1ccccc1
49872 Clc1ncccc1NC(=O)c1ccc2c(Cl)c3CCCc3nc2c1
49873 CCc1ccc2oc(c\c(=[NH+]/c3cccc(c3)C(O)=O)c2c1)-c1ccc(OC)cc1
49874 Oc1cc(cc2cccnc12)[N+]([O-])=O
49875 Cc1ccc(O)c(NC(=O)c2noc3CCCCCc23)c1
49876 O=C(NNC1=c2ccccc2=NC1=O)c1cccs1 |c:4,11|
49877 CC(C)c1ccc(Nc2nc(CC(O)=O)cs2)cc1
49878 COC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1
49879 Cc1ccc(NC(=S)N2CCC(C2)c2ccccc2)c(Cl)c1
49880 Cc1ccc(NC(=O)N2CCC(C2)c2ccccc2)cc1C
49881 CC(C)(C)c1ccc(CN=Nc2cccc(c2)C(O)=O)cc1 |w:9.8|
49882 Cc1ccsc1CN=Nc1cccc(c1)C(O)=O |w:8.9|
49883 Clc1ccc(NC(=O)N2CCC(C2)c2ccccc2)cc1
49884 COc1ccccc1C(=O)Nc1nc2cc3OCCOc3cc2s1
49885 C(Sc1ccc(nn1)-c1ccccn1)c1ccccc1
49886 CCOC(=O)c1s\c(=N\C(=O)c2ccccc2)n(C)c1C
49887 COc1ccc(cc1)-c1csc(Nc2ccccc2)n1
49888 COc1ccc2nc(Nc3ccccc3OC)sc2c1
49889 CCOC(=O)c1s\c(=N/C(=O)c2cccs2)n(C)c1C
49890 CN(C)CCCN(C(=O)\C=C\c1cccs1)c1nc2c(F)cccc2s1
49891 COc1ccc2nc(Nc3ccccc3)sc2c1
49892 Fc1cc(Br)ccc1C(=O)Nc1ccc(Cl)cc1
49893 CCSc1ccc(nn1)-c1ccc(C)cc1
49894 CCN(CC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
49895 CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C
49897 Clc1ccccc1-c1nnc(o1)-c1cccs1
49898 Oc1ccc(-c2csc(Nc3ncccn3)n2)c(O)c1
49899 Cc1noc(CC=Nc2ccc(F)cc2F)c1[N+]([O-])=O |w:7.7|
49900 Nc1nc(cs1)-c1ccc2ccccc2c1
49901 COc1ccc(cc1)-c1ccc2ccccc2n1
49902 C\C(C=NNC(=O)c1cccs1)=C/c1ccco1 |w:3.3|
49903 Nc1nn(cc1-c1ccc(Cl)cc1)-c1cccc(F)n1
49904 Nc1nn(cc1-c1ccccc1)-c1cccc(F)n1
49905 COc1ccc(cc1F)-c1cn2cccc(C)c2n1
49906 COc1ccc(cc1)-c1cn2cc(cc(Cl)c2n1)C(F)(F)F
49907 COc1nc(nnc1-c1ccccc1)-c1ccccc1
49908 CC(C)c1ccc(cc1)-n1cnn(-c2ncccc2[N+]([O-])=O)c1=O
49909 Nc1cccn2c(cnc12)-c1ccc(Cl)c(Cl)c1
49910 Nc1cccn2c(cnc12)-c1ccc(Cl)cc1
49911 CC(C)c1ccc(\C=C\c2ccc(=O)n(C)n2)cc1
49912 Fc1ccc2nc(NC(=O)c3cccs3)sc2c1
49913 O=C(CSC(=S)N1CCSCC1)c1ccccc1
49914 COc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 |t:9|
49915 [#7-]\[#6](-[#6](-[#7]=[#7]-c1ccccc1-[#7+](-[#8-])=O)C#N)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1 |w:3.2|
49916 CC(N=O)c1sc(nc1C)-c1ccccc1
49917 Fc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccs1
49918 CC(N=Nc1cccc2cccnc12)c1ccccc1O |w:3.3|
49919 [O-][N+](=O)c1ccccc1OCc1nc(no1)-c1cccs1
49920 Fc1ccc(cc1)-c1cnn2c(ccnc12)-c1ccncc1
49921 [O-][N+](=O)c1ccc(o1)C(=O)NCc1ccco1
49922 Fc1ccccc1CN=Nc1ncnc2ccccc12 |w:9.10|
49923 Cc1nn2cc(cnc2c1Cl)-c1ccc(C)cc1
49924 Oc1ccccc1C(=O)c1cnn(c1)-c1ccc(Cl)cc1
49925 COc1ccc(cc1)N1N2C(NC1=S)C(C)(NC2=S)c1ccccc1
49926 C(N=Nc1ncnc2ccccc12)c1ccccc1 |w:2.2|
49927 Clc1ccc(\C=C\C(=O)Nc2nccs2)cc1
49928 COC(=O)c1ccc(NC(=O)C(=O)c2cccn2C)cc1
49929 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc2ccccc2c1 |w:11.12|
49930 NC(=NN=Cc1cccc(O)c1)c1nonc1N |w:2.2,4.4|
49931 CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12
49932 COc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
49933 COc1ccc(cc1)-c1cc(=O)c2cc(OC)ccc2o1
49934 O=C1C=C(Nc2ccccc2)C(=O)c2ccccc12 |t:2|
49935 C1Oc2ccc(cc2O1)-c1ccc2ccccc2n1
49936 [O-][N+](=O)c1ccc(cc1)N=[NH+]Cc1cc(c[n-]1)C(=O)CCl |w:9.9|
49937 OC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1
49938 Oc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
49939 CC(C)NC1=NN=C(CS1)c1ccc(Cl)c(Cl)c1 |c:6,t:4|
49940 O=C(CNc1cccc(c1)C#N)Nc1ccc2OCCOc2c1
49941 O=C(CSc1ncnc2ccccc12)c1ccco1
49942 O=C(Nc1ccc2OCCOc2c1)c1ccc2ccccc2n1
49943 Cc1cccc(c1)-c1cc(N)n(n1)-c1ccccc1
49944 COC(=O)c1ccc(\C=C(/C#N)c2ccccn2)cc1
49945 Cc1ccc(NC(=O)COc2ccccc2[N+]([O-])=O)nc1
49946 COc1ccc(-c2csc(n2)-c2cccs2)c(OC)c1
49947 COc1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1
49948 Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
49949 O=C(Nc1ccccc1)c1ccc2ccccc2n1
49950 Brc1ccc(cc1)C1=CSC2=C(C#N)C(=O)CCCN12 |c:11,t:8|
49951 [H]C12CC(C(=O)NCCN3C(=O)S\C(=C/c4ccc(OC)cc4)C3=O)C([H])(C1)C=C2 |c:31,THB:4:3:27:28.29|
49952 Cn1c2ccccc2sc1=NN=Cc1ccccn1 |w:10.12|
49953 COc1ccc(C=NOC(=O)Nc2ccccc2OC)cc1 |w:7.7|
49954 COc1ccc(cc1)C(=O)\N=c1/sc2ccccc2n1C
49955 C(Nc1nc(cs1)-c1cc2ccccc2o1)C1CCCO1
49956 CN=c1scc(-c2ccccc2F)n1N=C(C)c1cccnc1 |w:14.15,1.0|
49957 CCc1ccc(cc1)C(=O)COC(=O)c1n[nH]c2ccccc12
49958 N(N=Cc1ccccn1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
49959 Cc1occc1C(=O)NN=C\C(Br)=C\c1ccccc1 |w:9.9|
49960 CSC(=S)NN=C(C)c1ccccc1 |w:5.4|
49961 OC(=O)c1cccc(c1)N=NCc1ccc(cc1)-c1ccccc1 |w:9.9|
49962 CCN(CC)c1ccc(C=NNC(=S)NC)c(O)c1 |w:10.10|
49963 [O-][n+]1ccccc1SCC(=O)c1cc(Cl)ccc1Cl
49964 FC(F)Oc1ccc(NC(=O)c2ccccn2)cc1Cl
49965 CCc1sc(cc1C)C(=O)N1CCc2ccccc12
49966 CCc1ccc(cc1)-c1cc(N)n(n1)-c1ccccc1
49967 Cc1cnc(NC(=O)Nc2ccc(Cl)cc2)s1
49968 C1CN(CCO1)c1nc(cs1)-c1cc2ccccc2o1
49969 COc1cccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c1OC
49970 CC(=NNC(=O)c1ccc(Cl)cc1)c1cccs1 |w:2.2|
49971 OC(=O)c1ccc(cc1)N=NCc1ccc(cc1)-c1ccccc1 |w:9.9|
49972 O=C(Nc1ccc2OCCOc2c1)\C=C\c1ccco1
49973 CCCCc1ccc(NC(=O)c2cnccn2)cc1
49974 CSc1ccc(\C=C\C(=O)Nc2ccccc2)cc1
49975 COc1ccc(-c2csc(n2)-c2ccccc2)c(OC)c1
49976 Cc1ccccc1Nc1nc(N)nc(CSc2ccc(F)cc2)n1
49977 COc1cccc(\C=C\C(=O)Nc2ccc3OCCOc3c2)c1
49978 Cc1ccc(NC(=O)c2ccccn2)c(Br)c1
49979 CSc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1
49980 OC(=O)c1cc(ccc1Cl)N=NC=CCc1ccccc1 |w:10.10,13.14|
49981 Cc1ccnc(NC(=O)c2cc3ccccc3oc2=O)c1
49982 Cc1ccc(NC(=O)c2cc3CCCCc3s2)cc1
49983 O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)C1CCCC1
49984 Clc1ccc(C=CC(=O)Nc2cccc(c2)S(=O)(=O)NC2=NCCC2)c(Cl)c1 |w:6.6,t:21|
49985 NC(=NOC(=O)COc1ccc(Cl)cc1Br)c1ccncc1 |w:2.2|
49986 OC(=O)c1ccc(CN=Nc2ccc(F)cc2F)cc1 |w:9.9|
49987 OC(=O)c1ccc(cc1)N=NCc1ccc(cc1)C(F)(F)F |w:9.9|
49988 Oc1ccc(C(=O)Cc2ccc3ccccc3n2)c(O)c1
49989 OC(=O)c1ccc(cc1)N=NCc1cn(nc1-c1cccs1)-c1ccccc1 |w:10.11|
49990 Fc1ccccc1SCc1nnc(o1)-c1ccccc1Br
49991 CSc1ccc(CN=Nc2ccc(Cl)c(c2)C(O)=O)cc1 |w:8.8|
49992 O=C(\C=C\c1ccco1)N1CCc2ccccc12
49993 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CNC2CC2)cc1
49994 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)nc1
49995 CCOC(=O)CSc1nnc2-c3ccccc3CC(C)(C)n12
49996 Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCc1ccco1
49997 C1C=CC2C1C(Nc1ccccc21)c1ccncc1 |c:1|
49998 COCCn1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)c(OC)c1
49999 Cc1cccc(NC(=O)c2cccs2)n1
50000 CC1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccc(cc1)N(C)C
50001 COc1cc(ccc1O)C(N1CCc2ccccc2C1)c1nnnn1C1CCCC1
50002 Cn1c2nc(N3CCCCCC3)n(CC=C)c2c(=O)n(C)c1=O
50003 OC(CNc1ccccc1O)Cn1ccc2ccccc12
50004 CC(N(Cc1ccco1)C(=O)c1snc(C(=O)NC2CCCC2)c1N)C(=O)NC1CCCC1
50005 null
50006 Oc1ccccc1C1Nc2cccc3cccc(N1)c23
50007 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C([O-])=O
50008 CCOC(=O)CSc1nc(N)c(s1)C(=O)Nc1ccc(cc1)N(C)C
50009 O=c1n(Cc2ccco2)cnc2n(Cc3ccccc3)c3nc4ccccc4nc3c12
50010 CCCSc1nc(C)c(CC=C)c(=O)[nH]1
50011 CCCCn1c(nc2c1[nH]c(=O)n(C)c2=O)-c1ccc(Cl)cc1
50012 CC(C)OC(=O)Cn1cnc2ccc(Br)cc2c1=O
50013 COc1ccccc1-n1c(O)c2ON(C(c2c1O)c1ccc(cc1)N(C)C)c1ccccc1 |(5.39,1.24,;6.16,-.1,;5.39,-1.43,;3.85,-1.43,;3.08,-2.77,;3.85,-4.1,;5.39,-4.1,;6.16,-2.77,;7.7,-2.77,;8.61,-4.01,;8.13,-5.48,;10.07,-3.54,;11.53,-4,;12.43,-2.77,;11.53,-1.53,;10.07,-2,;8.61,-1.52,;8.13,-.05,;12.01,-.06,;13.51,.26,;13.99,1.72,;12.96,2.87,;11.46,2.55,;10.98,1.08,;13.44,4.33,;12.41,5.48,;14.95,4.65,;13.97,-2.77,;14.74,-1.43,;16.28,-1.43,;17.05,-2.77,;16.28,-4.1,;14.74,-4.1,)|
50014 CN(C)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)c(C)c2)cc1
50015 CCc1nc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)c2oc3ccccc3c2n1
50016 CCCOc1ccc(Cc2nn3c(nc2=O)sc(=Cc2ccco2)c3=O)cc1
50017 O=C(Nc1ccc2n3CCN(Cc3nc2c1)C1CCCCC1)c1ccco1
50018 Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccccc1
50019 Cc1cc(C)n2c(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)nnc2n1
50020 COC(=O)c1ccc(CSc2nc(cs2)-c2ccccc2)o1
50021 Cc1cc(NC(=O)CSc2nc(cs2)-c2ccc(F)cc2)no1
50022 CCOC(=O)CC1=CSC2=NS(=O)(=O)CCN12 |t:6,9|
50023 O=C(CSc1ncnc2sccc12)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
50024 O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
50025 CC(C)CC1NC(=O)N(CC(=O)c2ccc3OCCOc3c2)C1=O
50026 CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1
50027 CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1ccncc1)c(O)c1ccccc21
50028 CCCCN(CC)CCNc1c(N2CCN(CC2)C(=O)OCC)c(=O)c1=O
50029 CCOC(=O)N1CCN(CC1)c1c(NCCCN(CC)Cc2ccccc2)c(=O)c1=O
50030 CCCCCc1nc2c(o1)c1ccccc1[nH]c2=O
50031 CN(C)c1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2)cc1
50032 CCn1cc(C(=O)NCc2ccc3OCOc3c2)c2cc(OC)c(OC)cc2c1=O
50033 OC(=O)CCc1nc(no1)-c1cccs1
50034 COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(OC)cc2OC)C1
50035 CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1
50036 Cc1ccc(C=c2sc3nc(nn3c2=O)-c2cccnc2)cc1
50037 CCOc1ccc(NC(=O)N(CCN2CCOCC2)Cc2ccc3N(CC)CCCc3c2)cc1
50038 COCCN1Cc2cccc(C(=O)Nc3cccc(C)c3C)c2C1=O
50039 CN(C)c1ccc(NC(=O)Cn2ncn3c4ccccc4cc3c2=O)cc1
50040 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccc(cc1)N(C)C |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
50041 COc1cccc(C(=O)Nc2ccc3nc(cc(C)c3c2)N2CCN(CC2)c2ncccn2)c1OC
50042 COc1ccc(Cl)c(c1)N1CCN(CCCNC(=O)Nc2ccc(C)cc2)CC1
50043 Cc1ccc(o1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
50044 CC(=O)Oc1ccc(NC(=O)CSc2ccccc2)cc1
50045 COc1ccc(cc1)-n1c(N)c(sc1=S)-c1nc2ccccc2n1C
50046 CCN(CC)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)cc1
50047 CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1ccc2N(C)CCCc2c1 |c:5,t:8|
50048 COc1ccc(cc1OC)C(=O)N1C(C)Cc2ccccc12
50049 Clc1ccccc1NC(=O)c1cnccn1
50050 CCN(CC)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1
50051 CC(C)n1c(Nn2cnnc2)nc2ccccc12
50052 CC(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(O)=O
50053 CSC1=N\C(=C/c2ccccc2F)C(=O)S1 |t:2|
50054 O=c1n(-c2cccnc2)c(nc2ccccc12)-c1ccco1
50055 OCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
50056 CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c1ccccc21
50057 O=NC1CCCSc2ccccc12
50058 COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1
50059 CNC(=O)NC1CCCc2ccccc12
50060 Brc1ccc(o1)C(=O)Nc1ccc(cc1)N1CCCC1
50061 CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N(C)C
50062 CCCOc1ccc(cc1)C(=O)Nc1ccc(cc1)N(C)C
50063 Nc1nonc1C(=O)NCC1CCCO1
50064 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)N(C)C
50065 Oc1cccc2cc3cccc(O)c3c(O)c12
50066 CCNc1ccc(Br)cc(C(=O)\C=C\c2c(Cl)cccc2Cl)c1=O
50067 CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1=O
50068 CCOc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O |w:6.5|
50069 Cc1ccc(cc1)S(=O)(=O)N=C1C=C(C2C(=O)CC(C)(C)CC2=O)C(=O)c2ccccc12 |w:10.10,t:13|
50070 COc1ccc(cc1)-n1c(O)c2CCCn2c1=O
50071 O=C(Nc1ccc2nc([nH]c2c1)-c1ccc2nc[nH]c2c1)c1cccs1
50072 CCC(C)(C)n1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)c(OC)c1
50073 CC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1cccs1
50074 CCOC(=O)C1CCCN(C1)c1ccc(NC(=O)c2snc3c2nc(C)[nH]c3=O)cc1
50075 Fc1ccccc1C(=O)Nc1ccc(cc1)N1CCCC1
50076 CCNc1nc(NCC)nc(n1)C(=O)NN
50077 O=[#6]-1\[#6](=[#6]/c2cccn2-c2ccccc2)-[#6](=O)-c2ccccc-12
50078 Fc1ccc(cc1Cl)N1NC(=O)\C(=C\c2cccc(OC(=O)c3cccs3)c2)C1=O
50079 [O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1 |w:10.11|
50080 CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(CC)cc3)ccc12
50081 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)cc1Cl |t:1|
50082 CCOc1ccccc1NC(=O)\C=C\C(N)=O
50083 CCCCn1c(SCC(=O)NCCOC)nc2ccc(cc2c1=O)N1CCOCC1
50084 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CCCCCC1
50085 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccc(-[#7]\[#6]=[#6]-3\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)n2)-[#6](=O)-[#6]1
50086 O=C(N1CCN(CC1)c1ncccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
50087 CN(C1CCN(C)CC1)c1nc(nc2ccccc12)-c1ccc(cc1)[N+]([O-])=O
50088 CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10|
50089 CC(=O)c1sc2nc(ccc2c1N)-c1cccs1
50090 Clc1ccc(NC(=O)Nc2ccc(cc2)N2CCOCC2)cc1Cl
50091 CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1 |c:17,21,(3.08,-6.25,;3.08,-4.71,;4.41,-3.94,;4.41,-2.4,;3.08,-1.63,;3.08,-.09,;4.41,.68,;4.41,2.22,;5.75,2.99,;5.91,4.52,;7.41,4.84,;8.04,6.25,;8.18,3.51,;7.15,2.36,;7.47,.86,;8.94,.38,;9.26,-1.12,;10.72,-1.6,;11.87,-.57,;13.33,-1.05,;11.55,.94,;10.08,1.41,;5.75,-.09,;5.75,-1.63,)|
50092 Cc1cc(NC(=O)COc2cc(C)cc3oc(=O)c4CCCc4c23)n(n1)-c1ccc(C)cc1
50093 COc1ccc(OCC(=O)Nc2nnc(s2)-c2ccco2)cc1
50094 CSc1nc(N(C)CCO)c2sc3nc(-c4ccco4)c4CCCc4c3c2n1
50095 Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)c1C
50096 FC(F)(F)C1=NCCN=C(C1)c1ccccc1 |c:8,t:4|
50097 Clc1ccc(NC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1
50098 CS(=O)(=O)c1ccc2N3C(Sc2c1)=NC(=O)\C(=C\c1ccco1)C3=N |c:14|
50099 Oc1ccc(Br)cc1-c1cc([nH]n1)-c1ccc(Cl)cc1
50100 Cc1ccc(cc1)C1C(C=C2SC(S)=NC2=O)=C(Oc2ccccc12)c1cccs1 |w:9.9,c:14,18,(11.05,-6.19,;11.05,-4.65,;9.72,-3.88,;9.72,-2.34,;11.05,-1.57,;12.38,-2.34,;12.38,-3.88,;11.05,-.03,;9.72,.74,;8.38,-.03,;7.05,.74,;5.64,.11,;4.61,1.26,;3.08,1.1,;5.38,2.59,;6.89,2.27,;8.03,3.3,;9.72,2.28,;11.05,3.05,;12.38,2.28,;13.76,3.1,;15.16,2.31,;15.16,.71,;13.76,-.08,;12.38,.74,;9.72,3.82,;10.96,4.73,;10.49,6.19,;8.95,6.19,;8.47,4.73,)|
50101 CC(C)COC(=O)C1C(NC(=O)N=C1C)c1ccsc1 |c:12|
50102 CN(C)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
50103 Cc1ccc(o1)-c1cc(C(=O)Nc2ccccn2)c2ccccc2n1
50104 [O-][N+](=O)c1ccc(cc1)-c1ccc([CH+]\N=[NH+]\[c-]2c3ccccc3[n-]c2=O)o1
50105 COc1ccc2nc(NC(=O)Nc3cccc4ccccc34)sc2c1
50106 CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)Nc1cccc(Cl)c1
50107 CCOC(=O)c1cc(nc2n(nc(C)c12)-c1cccc(Cl)c1)-c1ccco1
50108 CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1
50109 CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1
50110 Oc1ccc(C=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1O |w:6.6|
50111 CC1CCCCC11NC(=O)N(CC(=O)Nc2sc3CCCc3c2C(N)=O)C1=O
50112 CCN(C(C)C)c1ccc(NC(=O)COC(=O)c2cccs2)cc1
50113 CCC(=O)Oc1ccc2c(oc(CC)c(-c3ccc4ccccc4n3)c2=O)c1C
50114 CCOC(=O)c1cc(c(N=CN(C)C)o1)C(O)(C(=O)OC)C(F)(F)F |w:9.8|
50115 Oc1cc2ccccc2cc1C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |w:14.15|
50116 Nc1cccnc1Sc1cc(Cl)c(Cl)cc1Cl
50117 OC(=O)CCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
50118 Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1
50119 Cc1nn(-c2cccc(Cl)c2)c2nc(cc(C(O)=O)c12)-c1ccco1
50120 Cc1nc2cccc3cccc([nH]1)c23
50121 Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccccc1
50122 [O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\C=C\c1ccc2OCOc2c1
50123 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(c1)C(=O)Nc1nccs1
50124 Cc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
50125 CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1
50126 CCn1c(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)nc2ccccc12
50127 CCN(C(C)C)c1ccc(NC(=O)COC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)cc1
50128 CN(C)c1ccc(NC(=O)COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1
50129 CN1CCN(CC1)c1ccc(cc1[CH+][N-]NC(=O)c1ccc(F)cc1)[N+]([O-])=O
50130 Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2ccc(Cl)cc2)c(C(N)=O)c1C
50131 Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccccc1F
50132 NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
50133 Nc1c(sc2nc(ccc12)-c1ccco1)C(=O)Nc1ccc(Br)cc1
50134 CC(Cc1ccco1)=CN=Nc1nnc2c(n1)[nH]c1c(C)cccc21 |w:10.11,8.9|
50135 Cc1nnc(NC(=O)c2sc3nc(cc(c3c2N)C(F)(F)F)-c2cccs2)s1
50136 [H][C@]12Cc3cc(O)c(OC)cc3-c3c4OCOc4cc(CCN1)c23
50137 CC(C=Cc1ccco1)=NNC(=O)Cc1cccs1 |w:9.10,2.1|
50138 O=C1NC(SC1=Cc1ccccc1)=NNc1ccccc1 |w:13.15,6.7|
50139 COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1Cl
50140 COc1cc(CN=Nc2ccc(cc2)[N+]([O-])=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 |w:7.7|
50141 [O-][N+](=O)c1ccc(cc1)-c1cc(n[nH]1)-c1ccc(Cl)cc1
50142 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccs1
50143 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c(C)c1
50144 Cc1ccc2Nc3ncccc3C(=O)Nc2c1
50145 CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1
50146 O=C(CCN1C(=O)S\C(=C/c2ccccc2)C1=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
50147 COc1ccccc1-c1nc2cccc3cccc([nH]1)c23
50148 CCOc1ccccc1Nc1nc(cs1)-c1sc(NC(=O)c2ccc(cc2)[N+]([O-])=O)nc1C
50149 COc1ccccc1Nc1nc(cs1)-c1sc(NC(=O)c2ccc(cc2)[N+]([O-])=O)nc1C
50150 Clc1cccc(CN=Nc2nc(Cl)nc3ccccc23)c1 |w:8.8|
50151 COc1cc2cc3c(N)c(sc3nc2cc1OC)C(=O)Nc1sc(C)c(C)c1C#N
50152 CCSc1ncc(CN=Nc2ccc(cc2)[N+]([O-])=O)n1C |w:9.9|
50153 CCc1nnc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)s1
50154 O=C1Oc2ccccc2C(=O)\C1=C\c1c[nH]c2ccccc12
50155 Cc1sc(NC(=O)c2sc3nc4c(C)cccc4cc3c2N)c(C#N)c1C
50156 CCN(CC)c1ccc(NC(=O)\C=C/c2ccccc2Cl)cc1
50157 [O-][N+](=O)c1cc(Br)c(-c2ccc(\C=C3\NC(=S)NC3=O)o2)c(Br)c1
50158 CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1 |c:8|
50159 CCOC(=O)C1=C(Cc2ccc(CC)cc2)C(=O)c2ccccc2C1=O |c:5|
50160 COc1ccc(cc1)C(c1c(O)cc(C)oc1=O)c1c(O)cc(C)oc1=O
50161 CC(C=Cc1ccco1)=NNC(=O)c1cc(C)n[nH]1 |w:9.10,2.1|
50162 Fc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
50163 COC(=O)C1=C(C(c2sc(=O)[nH]c2S1)c1cc(Cl)ccc1O)C(=O)OC |t:4|
50164 CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
50165 Cc1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1
50166 Cc1ccc(OCCCC(=O)Nc2ccccc2C(F)(F)F)cc1
50167 Cc1cc(C=C2SC(S)=NC2=O)c(C)n1-c1sc(C)c(C)c1C#N |w:4.3,c:8,(4.54,-1.21,;6.01,-.73,;6.49,.73,;8.03,.73,;8.93,1.98,;8.3,3.38,;6.8,3.7,;6.64,5.23,;5.3,6,;8.04,5.86,;9.07,4.72,;10.61,4.88,;8.5,-.73,;9.97,-1.21,;7.26,-1.64,;7.26,-3.18,;8.5,-4.08,;8.03,-5.55,;8.93,-6.8,;6.49,-5.55,;5.58,-6.8,;6.01,-4.08,;4.54,-3.61,;3.08,-3.13,)|
50168 COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CCC3)c(cc1OC)[N+]([O-])=O |c:12|
50169 [O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccc(Cl)nn2)c1 |w:10.9|
50170 O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)\C=C\c1ccco1
50171 [O-][N+](=O)c1cccc(\C=C\C=N\NC(=O)CNc2ccc3ccccc3c2)c1
50172 CCOc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1
50173 Cc1ccc(cc1C)-n1[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O
50174 Cc1[n-]c2ccccc2c1C[NH+]=Nc1ccc(cc1)[N+]([O-])=O |w:11.12|
50175 CN(C)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1
50176 COc1ccc(C=c2c(=CSc3ccc(Cl)cc3)[nH]n(-c3nc4ccccc4s3)c2=O)cc1 |w:9.9|
50177 Cc1cc(ccc1C(c1ccc(cc1C)N(CCO)CCO)c1ccccc1Cl)N(CCO)CCO
50178 Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cnc(nc2)-c2ccccc2)C1=O |w:14.15|
50179 CCOc1ccc(cc1)C1C2=C(Nc3[nH]c(N)nc(=O)c13)c1ccccc1C2=O |c:11|
50180 Oc1ccccc1Oc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
50181 CN(C)c1ccc(Nc2c3-c4ccccc4C(=O)c4cccc(n(C)c2=O)c34)cc1
50182 CCOC(=O)C1C(=O)C(S\C1=N/c1ccc(OC)cc1)=Cc1cc(OC)c(O)c(OC)c1 |w:20.22|
50183 Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NN(C1=O)c1ccc(F)c(Cl)c1 |w:13.14|
50184 Cc1ccc(cc1C)N1C(=O)NC(=O)C(=Cc2cnc(nc2)-c2ccccc2)C1=O |w:15.16|
50185 C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1
50186 O=C1NC(=O)C(=Cc2ccc3CCc4cccc2c34)C(=O)N1c1ccccc1 |w:6.6|
50187 CN1CCN(CC1)c1ccc(cc1[CH+][N-]NC(=O)c1cccc(c1)[N+]([O-])=O)[N+]([O-])=O
50188 CN(C)c1ccc(Sc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)cc1
50189 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
50190 COc1cc(ccc1-c1ccc(o1)C(=O)Nc1ccc(NC(C)=O)cc1)[N+]([O-])=O
50191 COc1ccc(cc1OC)-c1nn(CCC(O)=O)cc1C=C1SC(N)=NC1=O |w:20.21,c:26|
50192 COc1cc(\C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)cc(OC)c1O
50193 Oc1cc(=O)c(c[c-]1C[NH+]=Nc1nc2ccccc2[nH]1)[N+]([O-])=O |w:10.11|
50194 COc1cccc2c(S)c(CCC(C)=O)c(C)nc12
50195 CC1(C)CC(C)(c2ccccc2)c2cccc3\C(C(=O)N1c23)=C1\SC(=S)NC1=O
50196 C=CCN1C(=S)NC(=O)\C(=C/c2cccs2)C1=O
50197 COc1ccc(-c2ccc([CH+][N-]NC(=O)c3cccnc3)o2)c(c1)[N+]([O-])=O
50198 COc1cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(Br)cc1O
50199 Cc1ccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3cc4ccccc4cc3O)c3ccccc23)cc1
50200 COCCCNC(=O)C(=C\c1ccc(OCC(O)=O)c(OC)c1)\C#N
50201 NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:15.15|
50202 Cc1ccc(cc1[N+]([O-])=O)-c1ccc(\C=C2\NC(=O)NC2=O)o1
50203 Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:15.17|
50204 COc1ccc(\C=C2\C(\[N-]N(C\2=O)c2c(Cl)cc(Cl)cc2Cl)=[NH+]\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
50205 COc1ccc(\C=C2\SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1
50206 Clc1ccccc1\C=C(/NC(=O)c1ccccc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
50207 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4cc(F)ccc4c3Cl)cc2)nc(OC)n1
50208 CCOc1ccc(-c2ccc([CH+]c3c([NH-])[n+]4ccsc4[n-]c3=O)o2)c(c1)[N+]([O-])=O
50209 COc1ccc(C=NNC(=O)c2ccc(O)cc2O)cc1CSc1ccccn1 |w:7.7|
50210 Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccc(O)cc1O |w:10.10|
50211 Cc1cc(C(F)F)n2nc(nc2n1)C(=O)Nc1sc2CCCc2c1C(N)=O
50212 Cn1c(NN=C2CCCc3ccccc23)nc2n(C)c(=O)n(Cc3ccc(F)cc3)c(=O)c12 |w:4.3|
50213 Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12
50214 Cc1cc([nH]n1)C(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1 |w:19.21,9.9|
50215 COc1ccc(\C=C2/SC(=O)N(CCC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3nccs3)C2=O)cc1
50216 Fc1ccccc1N1C(=S)NC(=O)C(=Cc2cccs2)C1=O |w:14.15|
50217 COc1c[c-](\C=[NH+]\NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc(Br)c1=O
50218 Nc1oc2cc(=O)ccc2cc1C(=O)Nc1nc2ccccc2s1
50219 COc1ccc(-c2ccc([CH+]c3c([NH-])[n+]4ccsc4[n-]c3=O)o2)c(c1)[N+]([O-])=O
50220 CC[C@H](C)NC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
50221 Cc1ccc(cc1Cl)-n1cccc1\C=C1\C(=N)N2C(SN=C2S(C)(=O)=O)=NC1=O |c:22,28|
50222 COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(C1=O)c1ccc(Br)cc1 |w:13.14|
50223 CCN1C(=O)C(=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc12 |w:6.6|
50224 Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1 |w:13.14,15.16,t:7|
50225 Clc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
50226 Fc1cccc(c1)N1NC(=O)\C(C1=O)=C1\C(=O)Nc2ccccc12
50227 Cc1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\n2c(COc3ccccc3C)nc3ccccc3c2=O)c1
50228 Cc1ccc(cc1C)C(=O)COC(=O)CNC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
50229 COc1ccc(cc1)C(=O)c1sc2nc(ccc2c1N)-c1ccc(OC)cc1
50230 [O-][N+](=O)c1cc(\C=C\C(=O)Nc2ccc(cc2)N2CCCC2)ccc1Cl
50231 Cc1cc(N=NCc2ccc(O)c(C)c2O)nc(n1)-c1ccccc1O |w:4.3|
50232 Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Cl)cc1
50233 Oc1ccc(cc1C=Nc1ccc(cc1)N1CCOCC1)N=Nc1cccc(Cl)c1 |w:8.9,21.23|
50234 Brc1ccc(s1)C1Nc2cccc3cccc(N1)c23
50235 COc1ccc(\C=C2\N(C(=O)c3ccc(C)cc3)C(=S)NC2=O)cc1
50236 OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O
50237 COc1c[c-](C=[NH+]NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+]([O-])=O)c1=O |w:6.6|
50238 COc1nc(N=NCc2ccc(o2)-c2cccc(c2)[N+]([O-])=O)nc(n1)N1CCOCC1 |w:5.4|
50239 Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Br)cc1
50240 Cc1[nH]n(-c2ncc(s2)-c2ccc(Cl)cc2)c(=O)c1C(C(C#N)C#N)c1ccc(Cl)cc1
50241 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)-c1cccc(c1)[N+]([O-])=O)C#N |w:11.13|
50242 Clc1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 |w:7.7|
50243 COc1cc(C=C2SC(S)=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:5.4,c:9|
50244 COc1ccc(NC(=O)CSc2ncnc3c4ccccc4sc23)c(OC)c1
50245 COc1cccc(c1)C(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
50246 O=C(Cc1cccs1)NN=C\C=C/c1ccco1 |w:9.9|
50247 SC1=NC(=O)C(S1)=Cc1ccc(SCc2ccco2)o1 |w:7.8,t:1|
50248 CC(C=NNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1)=Cc1ccco1 |w:3.3,22.25|
50249 Cc1ccc(NC(=O)c2cc(ccc2Cl)N2C(=O)C=CC2=O)cc1C |c:19|
50250 CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15|
50251 COC(=O)c1ccc2O\C(=C/c3ccc(O)cc3)C(=O)c2c1
50252 CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccc(Cl)cc3)C(=N)N12 |t:4,7|
50253 Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:12.12,t:15|
50254 COc1cc(C=C2SC(S)=NC2=O)ccc1OS(=O)(=O)c1ccccc1 |w:5.4,c:9|
50255 COc1ccc(cc1)N1CCC(CNC(=S)Nc2cccc(OC)c2)C1
50256 CCCCN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
50257 Cc1cc([N+]([O-])=O)c(=O)[c-](\C=[NH+]\n2c(COc3ccccc3)nc3ccccc3c2=O)c1
50258 Cc1cccc2cc(C=NNC(=O)c3ccccc3O)c(Cl)nc12 |w:9.9|
50259 Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
50260 CN(C)S(=O)(=O)c1cccc(c1)-c1nn(cc1C=C1SC(S)=NC1=O)-c1ccccc1 |w:17.18,c:23|
50261 CCOC(=O)c1c(NC(=O)C(=C\c2ccc(O)c(OC)c2)\C#N)scc1-c1ccc(C)cc1
50262 Clc1cccc(NC(=O)Nc2nnc(s2)-c2ccncc2)c1
50263 CCC(C)N1C(=S)NC(=O)\C(=C/c2ccc3N(CCCCl)CCc3c2)C1=O
50264 Cc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:12.13,14.15,t:6|
50265 O=C1N=C(Nc2ccccc2)SC1=CC=Cc1ccco1 |w:13.15,15.17,t:2|
50266 Oc1ccc(C=NNC(=O)C(=O)CC2=NC3(CCCC3)Cc3ccccc23)cc1O |w:6.6,t:13|
50267 Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2nc3ccccc3s2)o1
50268 O=C(CSc1nnc(SCc2ccccc2)s1)NN=C\C=C\c1ccco1 |w:18.19|
50269 Cc1cc2ncn(\N=C\c3ccc(s3)[N+]([O-])=O)c2cc1C
50270 CC(=O)Nc1sc(N=NCc2ccco2)nc1-c1cccs1 |w:7.6|
50271 COc1ccc(NC(=O)Cc2c(SC)c3ccccc3n2Cc2ccccc2)cc1
50272 CCN1C(=O)C(C)SC1=NS(=O)(=O)c1ccc(F)cc1 |w:9.10|
50273 Cc1cc(C)c(cc1C)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
50274 CC1CCc2c(C1)sc(Nc1nc3c(F)cccc3s1)c2C(N)=O
50275 COc1ccc2nc(Nc3sc4CCCCc4c3C(N)=O)sc2c1
50276 Cc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 |w:12.13,t:6|
50277 NC(=O)c1c(Nc2nc3c(F)cccc3s2)sc2CCCCc12
50278 CCc1cc(C(N2CCOCC2)c2ccc(OC)c(OC)c2)c(NC(=O)c2ccccc2)s1
50279 COC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
50280 Cc1csc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)n1
50281 [O-][N+](=O)c1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
50282 O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
50283 [O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCCC1
50284 CCC1CSC(Nc2ccc(cc2)C(=O)C=Cc2cccc(C)c2)=N1 |w:15.15,c:25|
50285 Cc1ccc(NC(=S)NNc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1C
50286 Cc1cccc(C=CC(=O)c2ccc(cc2)N=C2NCCCS2)c1 |w:16.16,6.5|
50287 CN(C)c1ccc(CC(=O)c2nc3ccccc3s2)cc1
50288 Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:7|
50289 CC(C)(C)C1CCc2c(C1)scc2C(=O)NNC(=O)CCC(O)=O
50290 COc1ccccc1\C=C1\SC(=O)N(CCC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)C1=O
50291 OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccccc1Cl |w:7.8,t:1|
50292 Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)[N+]([O-])=O)CC1
50293 CCOc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:17.19|
50294 CN1\C(S\C(=C/c2ccc(o2)-c2ccccc2[N+]([O-])=O)C1=O)=N/c1ccc(Cl)c(c1)C(O)=O
50295 O=C(NN=CC=Cc1ccco1)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:3.2,6.6|
50296 Cc1ccc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)o1
50297 [O-][N+](=O)c1ccc(cc1)-c1cn(-c2ccc(Cl)cc2)c(=S)[nH]1
50298 COc1ccc2nc(sc2c1)N1C(=S)NC(=Cc2ccc(Cl)cc2)C1=O |w:16.18|
50299 CCN1C(=S)NC(=O)\C(=C/c2ccc3N(CCCCl)CCc3c2)C1=O
50300 Cc1cc(C(=O)N\[NH+]=C\[c-]2ccc(=O)c(c2)[N+]([O-])=O)c(C)n1-c1ccc(F)cc1
50301 [O-]c1[nH]c(=O)n(Cc2ccco2)c(=O)c1[CH+]c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
50302 Cc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
50303 COc1ccc(\C=C2\C(=O)NC(=S)N(C3CC3)C2=O)cc1CN1C(=O)c2ccccc2C1=O
50304 [O-]c1ccc(cc1[N+]([O-])=O)S(=O)(=O)c1ccc([O-])c(c1)[N+]([O-])=O
50305 Fc1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1
50306 Fc1cc(F)c2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
50307 Fc1ccc2nc(Nc3nc(cs3)-c3cc4ccccc4oc3=O)sc2c1
50308 Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12
50309 COc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12
50310 Fc1ccc2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
50311 COc1ccc2nc(Nc3nc(cs3)-c3cc4ccccc4oc3=O)sc2c1
50312 COC(=O)c1ccc2nc(Nc3nc4c(F)cc(F)cc4s3)sc2c1
50313 [O-][N+](=O)c1sccc1SCC(=O)N1CCN(CC1)c1ccc(Cl)cc1
50314 O=C(CN1C(=O)\C(=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)c2ccccc12)Nc1ccccc1
50315 [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
50316 COc1ccc(CCNC(=O)COC(=O)Cc2cccc3ccccc23)cc1
50317 Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1cccc(Cl)c1Cl
50318 CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2c3CCCc3nc3ccccc23)c1
50319 OC(=O)c1ccccc1-c1ccc(C=NNC(=O)c2cccs2)o1 |w:14.15|
50320 CN(C)c1ccc(cc1)C(CNC(=O)c1ccc(F)cc1)c1c[nH]c2ccccc12
50321 O=C(COC(=O)Cn1cnc2ccccc12)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
50322 O=c1cc(N=Cc2coc3c4ccccc4ccc3c2=O)[nH]c(=S)[nH]1 |w:4.3|
50323 CN(C)c1ccc(cc1)C(CNC(=O)c1ccc(cc1)C#N)c1c[nH]c2ccccc12
50324 Cc1cc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1cccc(O)c1
50325 CCN(C(C)C)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
50326 CN(C)c1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 |w:8.8|
50327 CC(C)c1ccc(Nc2nnc(SCC(=O)c3nnc(o3)-c3ccccc3)s2)cc1
50328 Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC=C
50329 CN(C)c1ccc(NC(=O)CCCOc2cccc(C)c2)cc1
50330 [O-][n+]1ccccc1SCC(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl
50331 COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(CSc2ccccc2)cc1
50332 O=C(Nc1ccc(cc1)N1CCCC1)c1ccc2ccccc2c1
50333 CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(OC)cc2OC)c1=O
50334 COc1cnn(-c2ccc(Br)cc2)c(=O)c1SCc1ccccc1
50335 CC(N1CCN(CC1)c1ccc(O)cc1)C(=O)Nc1cc(ccc1Cl)[N+]([O-])=O
50336 Cc1ccc(NS(=O)(=O)c2cc(ccc2NNC(=S)Nc2cccc(Cl)c2)[N+]([O-])=O)c(C)c1
50337 Clc1cccc(c1)N=NCc1ccc(s1)N1CCOCC1 |w:8.9|
50338 CCN(N=Cc1ccc(cc1)N(C)C)c1nc2ccccc2[nH]1 |w:3.2|
50339 Cc1cccc(c1)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1
50340 CN(C)c1ccc(Nc2nc(N)c(c(n2)N2CCOCC2)[N+]([O-])=O)cc1
50341 CC1CCc2c(C1)sc(NC(=O)COC(=O)c1cc(C)nc3ccccc13)c2C#N
50342 CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)NN=Cc1ccc(O)cc1O |w:21.22|
50343 Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)c1Cl
50344 Cc1nc2ccc(NC(=O)c3cc(cc(c3Cl)[N+]([O-])=O)[N+]([O-])=O)cc2s1
50345 [O-][N+](=O)c1ccccc1NC(=O)COC(=O)c1ccc2C(=O)N(Cc3ccncc3)C(=O)c2c1
50346 CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
50347 CCN(CC)c1nc2nc(C)[nH]c3nc4N(C(=O)Cc4c(c1C#N)c23)c1ccc(Cl)cc1
50348 CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
50349 C(NC1=NN=C(CS1)c1cc2ccccc2o1)c1ccccc1 |c:4,t:2|
50350 O=C(C=Cc1ccccc1)c1ccc(cc1)N=C1NCCCS1 |w:16.17,2.1|
50351 CC(OC(=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)N(C)C
50352 Cc1nn(Cc2ccc(F)cc2)c2sc(cc12)C(=O)Nc1ccc(cc1N1CCOCC1)N1CCOCC1
50353 CN(C)c1ccc(cc1)C(CNC(=O)c1ccccc1Br)c1c[nH]c2ccccc12
50354 COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCOCC1
50355 Cc1ccccc1CN=Nc1ccnc2cc(Cl)ccc12 |w:9.10|
50356 CCN(CC)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
50357 CCN(C(C)C)c1ccc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1
50358 CC(C)Nc1nnc(SCC(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)s1
50359 CCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
50360 CCc1cc(C(=O)N\[NH+]=C2/C(=O)[N-]c3ccc(cc23)[N+]([O-])=O)c2ccccc2n1
50361 CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
50362 COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc(c(CC(O)=O)s1)-c1ccccc1 |t:9|
50363 Cc1ccc(c(C)c1)-n1c(=O)[c-](C[NH+]=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)N2CCOCC2)c2ccccc2c1=O |w:14.15,(7.08,7.7,;8.41,6.93,;8.41,5.39,;9.75,4.62,;11.08,5.39,;11.08,6.93,;12.42,7.7,;9.75,7.7,;12.42,4.62,;12.42,3.08,;11.08,2.31,;13.75,2.31,;13.75,.77,;12.42,,;12.42,-1.54,;11.08,-2.31,;9.75,-1.54,;8.41,-2.31,;8.41,-3.85,;9.75,-4.62,;11.08,-3.85,;12.42,-4.62,;13.75,-3.85,;12.42,-6.16,;7.08,-4.62,;7.85,-5.95,;6.31,-3.29,;5.75,-5.39,;5.75,-6.93,;4.41,-7.7,;3.08,-6.93,;3.08,-5.39,;4.41,-4.62,;15.08,3.08,;16.46,2.26,;17.86,3.05,;17.86,4.65,;16.46,5.44,;15.08,4.62,;13.75,5.39,;13.75,6.93,)|
50364 O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1c2CCCc2nc2ccccc12
50365 Oc1ccc(cc1NC(=O)CSc1nc2ccccc2s1)S(=O)(=O)N1CCOCC1
50366 OC(=O)c1cc(ccc1Cl)N=NCc1ccc(s1)N1CCOCC1 |w:11.12|
50367 CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
50368 CN(C)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]([O-])=O)cc1
50369 CN(C)c1ccc(NC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)cc1
50370 Cc1sccc1C=NNC(=O)c1cccc2ccccc12 |w:7.8|
50371 CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1=O
50372 COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7|
50373 CN(C)c1ccc(NC(=O)c2cccc(n2)C(=O)Nc2ccc(cc2)N(C)C)cc1
50374 CCn1nc(C)c(C=NNC(=O)Cc2ccc(Cl)cc2)c1C |w:8.8|
50375 COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
50376 Cc1cccc(c1)-c1nc(Nc2ccc(cc2)N2CCOCC2)c2ccccc2n1
50377 CCC(C)NCCCOc1c(C)cc(C)cc1Br
50378 CN(C)c1ccc(NC(=O)\C=C\c2ccc(C)o2)cc1
50379 CCCCOC(=O)Nc1ccc(cc1)N(C)C
50380 Cc1ccc(\C=C\C(=O)NCc2ccccn2)o1
50381 OC(=O)COc1ccccc1C(Nc1ccccn1)c1cc(Cl)c2cccnc2c1O
50382 [H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccccc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(CCSCCO)c1C2
50383 Cc1ccc2=NC(=O)C(NNc3nc4ccccc4s3)=c2c1 |c:21,t:4|
50384 Cc1ccc(C)n1-c1sccc1-c1cc2nc(C)cc(=O)n2[nH]1 |(13.85,-2.9,;12.31,-2.9,;11.41,-4.14,;9.94,-3.67,;9.94,-2.13,;8.7,-1.22,;11.41,-1.65,;11.88,-.18,;13.35,.29,;13.35,1.83,;11.88,2.31,;10.98,1.06,;9.44,1.06,;8.54,-.18,;7.08,.29,;5.75,-.48,;4.41,.29,;3.08,-.48,;4.41,1.83,;5.75,2.6,;5.75,4.14,;7.08,1.83,;8.54,2.3,)|
50385 CCOC(=O)c1ccc(NN=C2C(=O)NC(=O)C(C#N)=C2C)cc1 |w:10.9,c:19|
50386 CC(=O)Nc1ccc(cc1)-c1csc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)n1
50387 Oc1ccc(C=NNC(=S)Nc2cccnc2)c(O)c1O |w:6.6|
50388 [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
50389 Clc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)c(Cl)c1
50390 [O-][N+](=O)c1ccc(C=NNC(=S)Nc2ccc(Cl)cc2Cl)s1 |w:8.8|
50391 NC(=S)n1[n-]c(c(N=[NH+]c2ccccc2[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
50392 COc1ccc(C=CC(=O)NC(=S)Nc2cc(ccc2O)[N+]([O-])=O)cc1OC |w:6.5|
50393 Cc1n[nH]c(=S)n(NC(=O)C=CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O |w:10.9|
50394 COc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:13.14,15.16,t:7|
50395 COc1cc(ccc1O)C1C2=C(Nc3[nH]c(N)nc(=O)c13)c1ccccc1C2=O |c:11|
50396 CC1CC1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
50397 CCOC(=O)c1c(C)c(sc1NC(=O)NN=Cc1ccc(O)c(OC)c1)C(C)=O |w:15.15|
50398 NC(=S)n1[n-]c(c(N=[NH+]c2cccc(c2)[N+]([O-])=O)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
50399 OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2cccc(Cl)c2)cc1 |w:9.9|
50400 Cc1ccc(cc1)C(=O)N\C(=C\c1ccccc1)C(=O)OCC=C
50401 CC(C)CCOc1ccc(\C=C2/CCn3c2nc2cc(ccc2c3=O)C(O)=O)cc1
50402 CNC(=S)Nc1sc2CCCc2c1C(=O)OC
50403 COc1ccc(cc1NC(=S)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(O)=O
50404 CN(C)c1ccc(NC(=O)COC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1
50405 CCN(CC)c1ccc(NC(=O)c2ccc3n(C)c(C)c(C)c3c2)cc1
50406 CCN(CC)c1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 |w:10.10|
50407 Cc1ccc(CNC(=O)c2ccc3c(c2)n2c([nH]c3=O)c(sc2=S)C(=O)NCC2CCCO2)cc1
50408 [O-][N+](=O)c1ccc2c(c1)[c-](N=[NH2+])c1cc(ccc21)[N+]([O-])=O
50409 CCOc1ccc(cc1Cl)C(=O)Nc1cc(NC(=O)c2ccc(OCC)c(Cl)c2)cc(c1)C(O)=O
50410 Cc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1C
50411 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(O)cc1 |w:10.10|
50412 NC(=S)n1[n-]c(c(N=[NH+]c2cccc(Cl)c2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
50413 CCc1ccc(cc1)S(=O)(=O)N=C1C=CC(=O)c2ccccc12 |w:11.11,c:14|
50414 CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1=O
50415 Cc1ccc(cc1[NH+]=Nc1c([n-]n(C(N)=S)c1=O)-c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O |w:7.7|
50416 CC(=O)c1ccc(NC(=O)CC2Nc3cccc4cccc(NC2=O)c34)cc1
50417 COc1cccc(c1)C(Nc1ccccn1)c1oc(CO)cc(=O)c1O
50418 Oc1csc(=S)n1[NH+]=C[c-]1ccc(=O)c(c1)[N+]([O-])=O |w:7.7|
50419 COc1ccccc1NC(=O)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
50420 Oc1ccc(cc1O)C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:23|
50421 Oc1ccc(\C=C2\SC(=O)NC2=O)c(O)c1
50422 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccc(cc2)C(O)=O)nc1
50423 COc1cccc(c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
50424 OC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)C(=O)Nc2sc3CCCCc3c2C#N)cc1
50425 COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OC(C)C(O)=O)c(OC)c2)C(=O)N1CCc1c[nH]c2ccccc12
50426 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)[C-](C#N)c1[nH+]c2ccccc2s1
50427 CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2Cl)c1=O
50428 N=C1S\C(=C/c2ccco2)C(=O)N1c1ccc2OCOc2c1
50429 CCc1n[nH]c(=S)n1[NH+]=C[c-]1cc(OC)cc([N+]([O-])=O)c1=O |w:8.8|
50430 O=C(NCC1CCCO1)c1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)cc1
50431 Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
50432 O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
50433 [#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
50434 Oc1c(Br)cc(C=Nc2ccc3nc([nH]c3c2)-c2ccccc2)c(O)c1Br |w:7.7|
50435 Nc1ccc(Cc2ccc(N)c(O)c2)cc1O
50436 CCc1c(C)nc2ccc(OC)cc2c1S
50437 [H]C12C=CC([H])(C3C4C(C13)C(=O)N(C4=O)c1cccc(O)c1)C1C2C(=O)N(C1=O)c1cccc(O)c1 |c:2,TLB:27:22:9.6:2.3,THB:24:23:9.6:2.3|
50438 NC(=S)n1[n-]c(c(N=[NH+]c2ccc(Cl)cc2)c1=O)-c1ccc(cc1)[N+]([O-])=O |w:7.6|
50439 OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
50440 Nc1cc2OCOc2cc1[N+]([O-])=O
50441 CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1cc(O)ccc1O)c1cc(O)ccc1O |w:3.3,13.13|
50442 COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3cc(C)ccc3[nH]c12 |w:14.15|
50443 S=c1[nH]nc(-c2cc([nH]n2)-c2ccccc2)n1N=Cc1c2ccccc2cc2ccccc12 |w:17.19|
50444 Cc1cc(C)c2oc(cc(=O)c2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
50445 Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6|
50446 Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1
50447 [O-][N+](=O)c1ccc2s\c(=[NH+]\c3ccc(Br)cc3)[n-]c(=O)c2c1
50448 [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)COc1ccc2ccccc2c1
50449 Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
50450 COc1ccc(Cn2c(=O)[nH]c([O-])c([CH+]c3ccc(o3)[N+]([O-])=O)c2=O)cc1
50451 Clc1ccc(NC(=O)Nc2nnc(\C=C\c3ccccc3)s2)cc1
50452 COc1ccc(cc1)\[NH+]=c1/[n-]c(=O)c2cc(ccc2s1)[N+]([O-])=O
50453 NS(=O)(=O)c1ccc(N=NCc2ccc3OCOc3c2)c(c1)[N+]([O-])=O |w:8.7|
50454 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)o1
50455 CN(C)S(=O)(=O)c1cccc(NC2=NN=C(CS2)c2ccc(NC(C)=O)cc2)c1 |c:14,t:12|
50456 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1nc2ccccc2[nH]1
50457 OC(=O)c1ccc(\C=C2/N=C(SCc3ccccc3Cl)SC2=O)cc1 |t:9|
50458 CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)OC)cc1
50459 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C
50460 Oc1cccc2ccc(C=Cc3cc(Cl)cc(Cl)c3O)nc12
50461 CNCc1ccccc1OCc1ccccc1F
50462 CCCCn1c(NCc2ccc(cc2)N(C)C)nc2ccccc12
50463 CCOC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)-c2ccccc2)C=CC1=O |c:27,t:3|
50464 Cc1ccc(o1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2cc(Br)ccc2n1
50465 CN(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
50466 CCCSC1=N\C(=C/c2ccc(o2)[N+]([O-])=O)C(=O)S1 |t:4|
50467 CC1CCN(CC1)c1ccc(NC(=O)Cc2ccccc2)cc1
50468 Oc1ccc(cc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccccc2)o1)[N+]([O-])=O
50469 Cc1ccc(C(=O)Nc2ccc(cc2)N2CCCC2)c(C)c1
50470 Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)c1
50471 COc1c[c-](\C=C(/C#N)c2[nH]c3cc(C)ccc3[nH+]2)cc([N+]([O-])=O)c1=O
50472 OC(=O)c1ccc(Oc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)cc1C(O)=O
50473 OC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
50474 CCOC(=O)c1c(CSc2ccc(C)cc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
50475 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cc2ccccc2oc1=O
50476 COC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)-c2ccc(C)cc2)C=CC1=O |c:27,t:2|
50477 COc1cc(\C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(c1O)[N+]([O-])=O
50478 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1cccc(Cl)c1
50479 COc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1
50480 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1
50481 OC(=O)COc1ccccc1C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
50482 Cc1ccc(cc1)C1=NC(=O)\C(S1)=C\c1cc(O)c(O)c(Br)c1 |t:8|
50483 CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
50484 CN(C)c1ccc(C=NNC(=O)c2cccc(n2)C(=O)NN=Cc2ccc(cc2)N(C)C)cc1 |w:8.8,21.21|
50485 COc1ccc(cc1)C(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
50486 COc1cc(SC)ccc1C(=O)N1CCN(CC1)c1ccccc1
50487 O=C(Nc1ccc(cc1)C(=O)\C=C/c1ccco1)c1ccco1
50488 COc1ccc(O)c(N)c1
50489 Cc1ccc(C=C2SC(O)=NC2=S)o1 |w:5.4,c:9|
50490 Fc1cccc(NC(=S)NNc2c3ccccc3nc3ccccc23)c1
50491 CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(SCc3ccco3)o1)C2=N |w:14.15,c:10,t:5|
50492 COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(cc4)C(=O)N4CCCC4)c3=O)c2c1
50493 CCc1nn2c(nc(COc3ccc(\C=C4\C(=O)N=C5SC(C)=NN5C4=N)cc3)cc2=O)s1 |c:22,t:18|
50494 [O-][N+](=O)c1cccc(c1)-c1ccc([CH+][N-]NC(=O)c2cccs2)o1
50495 CCc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
50496 Cc1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:21,t:18|
50497 CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=CC(=O)c2ccccc12 |w:12.12,c:15|
50498 CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3cccn3-c3ccccc3Cl)C(=N)N12 |t:4,7|
50499 [O-][N+](=O)c1ccc2C(=O)N(\N=C\c3ccco3)C(Nc2c1)c1ccco1
50500 COc1ccc(Nc2cc(C)c3c(cccc3=O)[nH]2)cc1
50501 COc1ccccc1N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:14.15|
50502 Oc1ccccc1\C=C1/C(=O)Oc2ccccc2C1=O
50503 OC(=O)c1ccc(Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1O
50504 Oc1ccc(cc1O)-c1csc(Nc2ncccn2)n1
50505 Cc1nc(N)sc1-c1csc(Nc2ncccn2)n1
50506 COc1cc(NCCC(=O)c2cccs2)c(OC)cc1Cl
50507 CC(=O)C1=C(CS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1 |t:3|
50508 Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccccc3C(O)=O)c12
50509 COc1ccc(cc1OC)-c1ccc2c(n1)sc1c2[nH]c(=O)[nH]c1=O
50510 Clc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccncc1
50511 OCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
50512 Oc1ccc(cc1O)C1C2C(=O)CCCC2=Nc2ccc3ncccc3c12 |c:17|
50513 Cc1ccc(cc1C)-n1c(=O)c2cc3c(c(C(=O)c4ccc(cc4)C(O)=O)c2c1=O)c(=O)n(-c1ccc(C)c(C)c1)c3=O
50514 NS(=O)(=O)c1ccc(cc1)N=NC(C#N)C#N |w:10.10|
50515 Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(cc2)C(O)=O)n1
50516 [O-][N+](=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1
50517 Nc1ccc(cc1)-c1nc2cc(ccc2o1)[N+]([O-])=O
50518 COc1cc(\C=C2\SC(=O)NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
50519 [O-][N+](=O)c1ccc(cc1)-n1cccc1\C=C1\NC(=S)NC1=O
50520 CC(=NNC(=O)Cc1c(C)[nH][nH]c1=O)c1ccco1 |w:2.2|
50521 Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O
50522 Oc1ccc(cc1)C1C(C#N)C(=N)N(C2=C1S(=O)(=O)CC2)c1ccc(F)cc1 |c:15|
50523 COc1cc(\C=C2/SC(=O)NC2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
50524 COc1ccc(NC(=O)c2cc3cccc(OC)c3o\c2=N/c2ccc(cc2)C(O)=O)cc1OC
50525 CC1=C(C#N)C(=O)NC(=O)\C1=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |c:1|
50526 [O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1 |w:9.9|
50527 CCC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(OCc3cc(=O)n4nc(CC)sc4n3)c(OC)c1)C2=N |c:7,t:2|
50528 [O-][N+](=O)c1cc(Br)c(=O)[c-](C[NH+]=Nc2nc3ccccc3s2)c1 |w:12.12|
50529 Oc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O
50530 COc1cc(\C=C2/SC(=S)N(CC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1OC
50531 COc1ccc(cc1)N1CCC(CNC(=O)Nc2ccc(Cl)cc2)C1
50532 [O-][N+](=O)c1cccc(c1)N=[NH+]C[c-]1cc(ccc1=O)[N+]([O-])=O |w:9.9|
50533 COc1ccc([CH+][N-]NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc(cn1)[N+]([O-])=O
50534 OC(=O)c1cccc(c1)N=NCC1=C(Cl)c2cc(Cl)ccc2SC1 |w:9.9,c:13|
50535 COc1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)cc([N+]([O-])=O)c1=O
50536 Brc1ccc2NC(=O)\C(=C3/SC(=S)N(NS(=O)(=O)c4ccccc4)C3=O)c2c1
50537 COCc1cc(C)nc(N=NCc2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)c1C#N |w:9.8|
50538 Oc1cc2oc3c(c2cc1O)c(=O)oc1ccccc31
50539 COc1ccc(cc1)-c1cnnc(N=NCc2ccc(O)cc2)n1 |w:13.13|
50540 COc1ccccc1C(=O)N\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
50541 CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12 |c:17|
50542 NC(=O)c1nn(CC(=O)Nc2ccc3OCOc3c2)cc1[N+]([O-])=O
50543 OC(=O)c1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1 |c:9|
50544 CC(C)N1CCc2c(C1)sc(NC(=O)c1cc3cc(ccc3s1)[N+]([O-])=O)c2C(N)=O
50545 O=C(NN=Cc1ccco1)c1cccc(c1)N1Cc2ccccc2C1 |w:3.2|
50546 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2ccc(cc2)C(F)(F)F)cc1 |c:11|
50547 CCN(C(C)C)c1ccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)cc1
50548 CC(N=Nc1cccc(c1)C(=O)NN=C(C)c1ccco1)c1ccco1 |w:3.3,13.13|
50549 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
50550 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O
50551 CC(C)CC1NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O
50552 c1ccc(cc1)-c1ccc(cc1)-c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1
50553 CCN(C(C)C)c1ccc(NC(=O)COC(=O)\C=C\c2cccs2)cc1
50555 CSCc1nc2sc(C(=O)Nc3nc(C)cs3)c(C)c2c(=O)[nH]1
50556 Oc1ccc(cc1)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccs1
50557 COc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1O |w:7.7|
50558 CC1CCCN(CCC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1
50559 COC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccn1
50560 OC(=O)CCCCCN1C(=S)S\C(=C\c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
50561 Oc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)cc1 |w:6.6|
50562 CCc1nnc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)s1
50563 Oc1ccc(cc1)N1CCN(CC1)c1ncnc2sc(cc12)-c1ccccc1
50564 CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O
50565 OC(=O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)Nc2ccc(OC(F)F)cc2)c(c1)[N+]([O-])=O
50566 Cc1nc(COC(=O)c2cc(O)c3ccccc3c2O)cs1
50567 OC(=O)Cc1c[nH]c2cccc(O)c12
50568 CCN(C(C)C)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1
50569 Cc1cc(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)c(C)n1CC1CCCO1
50570 OCCC(=O)c1ccc(O)cc1
50571 Cc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
50572 COc1cc(OC)c2c(O)c3CO[C@@H](C)[C@@H](O)c3c(-c3c4[C@H](O)[C@H](C)OCc4c(O)c4c(OC)cc(OC)cc34)c2c1 |wD:15.15,21.22,13.13,23.24,(15.09,3.2,;14.09,2.03,;12.58,2.3,;12.03,3.81,;10.45,4.07,;9.9,5.51,;10.88,6.7,;9.44,2.83,;7.92,3.1,;7.39,4.54,;6.93,1.92,;5.35,2.22,;4.31,1,;4.86,-.51,;3.42,-1.04,;6.44,-.78,;6.99,-2.22,;7.46,.47,;8.97,.2,;9.5,-1.25,;10.83,-2.02,;12.21,-1.19,;12.19,.35,;13.61,-1.98,;14.94,-1.21,;13.61,-3.59,;12.21,-4.38,;10.83,-3.56,;9.5,-4.33,;9.5,-5.87,;8.17,-3.56,;6.79,-4.38,;6.81,-5.92,;5.48,-6.7,;5.39,-3.59,;5.39,-1.98,;3.85,-1.98,;3.08,-3.31,;6.79,-1.19,;8.17,-2.02,;9.96,1.38,;11.54,1.08,)|
50573 COc1ccc(cc1)-c1cc2nc3ccccc3n2c(N)c1C#N
50574 O=C(NC1CC1)c1cc(nc2ccccc12)-c1ccco1
50575 Nc1nc2N(Cc3cccs3)C(=O)Cc2c2c(C#N)c(nc(N)c12)N(CCO)CCO
50576 COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
50577 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
50578 OCC1OC(OC(CCc2ccccc2)CC(O)=O)C(O)C(O)C1O
50579 COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O
50580 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
50581 OC(=O)c1ccccc1C=NNC(=O)c1cc(nc2ccccc12)-c1ccco1 |w:10.11|
50582 COc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
50583 COc1ccc(cc1)-c1csc(NC(=O)CSc2nc(C)nc3sc(C(O)=O)c(C)c23)n1
50584 Oc1ccc(CN=Nc2cccc(c2)C(=O)NN=Cc2ccc(O)cc2)cc1 |w:7.7,17.17|
50585 CCN(CC)S(=O)(=O)c1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1C
50586 CCOC(=O)C1CCN(CC1)c1nc(N)c2c(N)nc(SCC(O)=O)cc2c1C#N
50587 O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
50588 [O-][N+](=O)c1ncccc1OCC(=O)c1ccc(Cl)s1
50589 OC(=O)c1nn(CC(=O)Nc2ccc3C(=O)c4ccccc4C(=O)c3c2)c(=O)c2ccccc12
50590 O=C(Nc1cccc(c1)S(=O)(=O)NC1=NCCCCC1)c1cc(nc2ccccc12)-c1ccco1 |t:14|
50591 [O-][N+](=O)C([N+]([O-])=O)=c1ccc2=NC34CCCCC3CC3=C(CCCC3)N4c2c1 |t:10,20,(3.08,-3.09,;4.61,-3.26,;5.23,-4.67,;5.52,-2.02,;4.9,-.61,;3.37,-.44,;5.81,.64,;7.05,-2.18,;7.7,-3.64,;9.29,-3.79,;10.2,-2.48,;11.73,-2.33,;12.05,-.83,;12.83,-2.23,;14.62,-2.43,;15.61,-1.23,;14.99,-.03,;13.38,-.06,;13.38,1.48,;12.05,2.25,;10.72,1.48,;9.31,2.26,;9.3,3.87,;10.69,4.67,;12.07,3.85,;10.72,-.06,;9.58,-1.09,;8,-.9,)|
50592 CC(C)(C)C1=CC=C(C(=O)C1=O)C(C)(C)C |c:6,t:4|
50593 Cc1ccc(cc1)C(=O)NNc1c2ccccc2nc2ccccc12
50594 COc1cc(CN=Nc2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O |w:7.7|
50595 CCOc1cc(CN=Nc2nc(c(NC(C)=O)s2)-c2cccs2)ccc1O |w:8.8|
50596 COc1cc(CN=Nc2nc(c(NC(C)=O)s2)-c2ccc(C)cc2)ccc1O |w:7.7|
50597 COc1cc(\C=C(\NC(C)=O)C(O)=O)cc(Cl)c1OCc1ccc(Br)cc1
50598 CCOc1ccc(cc1)N1C(=O)S\C(=C/c2ccc(O)c(OC)c2)C1=O
50599 CC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccc(C)cc1 |w:7.6|
50600 CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
50601 OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1ccc(Cl)cc1Cl |w:9.9|
50602 Cc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
50603 CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2C)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
50604 C\C=C(/C)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:16|
50605 COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|
50606 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,10|
50607 Oc1ccc(cc1)C(=O)\C=C\c1cccnc1
50608 [#6]-[#8]-[#6]-1=[#6]\[#6](=[#6]/c2c(-[#7])n3c(csc3nc2=O)-c2ccccc2)-[#6]=[#6](-[#8]-[#6])-[#6]-1=O |t:2,26|
50609 COc1ccc(cc1)C(=O)C[n+]1ccc(cc1)-c1nnc2CCCCCn12
50610 C\C=C\C=C\C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
50611 [O-]N1c2cc(ccc2[N+](=O)C11CCCCC1)[N+]([O-])=O
50612 CC1(C)N([O-])c2cc(ccc2[N+]1=O)[N+]([O-])=O
50613 [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)Nc3cccnc3)c2c1 |w:11.11|
50614 O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1ccco1
50615 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1=O
50616 COC(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1Cl |w:15.16,5.4|
50617 CC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1cccs1 |w:7.6|
50618 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O
50619 Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12
50620 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
50621 Oc1n(NC=C2C=CC(=O)C(=O)C2=O)c(O)c2ccccc12 |w:4.3,c:6|
50622 O=C(C1CCCCC1=O)c1ccccc1
50623 COc1cc(\C=C\C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+]([O-])=O)ccc1O
50624 COc1ccc(O)c(c1)C(=O)c1cc(SCC(O)=O)c2nc3sc4CCCCc4c3c(=O)n2c1
50625 COc1ccc(cc1)C(=O)Nc1cccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)c1
50626 Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)c(O)c1 |w:7.7|
50627 COc1cccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c1O |w:9.9|
50628 CN(C)CCNc1c(Cc2ccccc2)c(C)c(C#N)c2nc3ccccc3n12
50629 Oc1ccc(cc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
50630 CC(=O)c1sc2nc(ccc2c1N)-c1ccco1
50631 Cc1ccc(\C=C2\C(C)=C(C#N)C(=O)N(C3CCS(=O)(=O)C3)C2=O)o1 |t:8|
50632 CN(C)S(=O)(=O)c1cccc(c1)-c1nn(cc1\C=C1/SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
50633 C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
50634 OC(=O)CCCN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
50635 Oc1ccc(cc1)N1C(=S)S\C(=C/c2ccccn2)C1=O
50636 COc1ccc2c(c1)oc1nc(-c3ccccc3)n(-c3ccc(C)cc3)c(=O)c1c2=O
50637 Nc1ccc(N)c2c(O)c3ccccc3c(O)c12
50638 CCC1(CCc2c(cc(OC)c3ccccc23)C1=O)C(=O)OC
50639 CCOC(=O)C=C(C)Sc1cc(O)c2ccccc2c1O
50640 ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
50641 N1C(Nc2cccc3cccc1c23)c1cccnc1
50642 CC(=O)c1cc(O)c2ccccc2c1O
50643 COc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12|
50644 COc1ccc(NC=C2c3oc4cc(Cl)c(O)c(Cl)c4c3CCC2=O)cc1 |w:7.6|
50645 COc1cc(SSc2cc(OC)cc(c2N)[N+]([O-])=O)c(N)c(c1)[N+]([O-])=O
50646 COc1cc(ccc1Nc1ccccc1C(O)=O)-c1ccc(Nc2ccccc2C(O)=O)c(OC)c1
50647 Oc1cc2cccc(=O)c(O)c2c(O)c1O
50648 O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
50649 [O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+]([O-])=O)c2c1
50650 Oc1cc2c(O)oc3cc(=O)c(=O)oc3c2c(O)c1O
50651 Nc1ccc2C(=O)c3c(Cl)c(N)ccc3C(=O)c2c1Cl
50652 Cc1cc2nc(C=Cc3nc4cc(C)c(C)cc4[nH]3)[nH]c2cc1C
50653 [O-][N+](=O)c1ccc(\[NH+]=N\c2ccc(=O)[c-](c2)C(=O)Nc2cccc(Cl)c2)c(Cl)c1
50654 Nc1nc2n(cnc2c(=S)[nH]1)C1OC(CO)C(O)C1O
50655 [O-][N+](=O)c1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)ccc1F
50656 Oc1ccccc1C(=O)NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O
50657 Oc1cc(N2CCN(CC2)S(=O)(=O)c2ccccc2)c(O)n1-c1ccccc1
50658 Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1
50659 CC(=O)c1cc(C#N)c(SCc2ccccn2)nc1C
50660 CCOC(=O)NNc1ccc2nonc2c1[N+]([O-])=O
50661 CC(C)CCC(CCN1CCCC1)c1ccc2OCOc2c1
50662 C(=C/c1ccc2ccccc2n1)\c1ccco1
50663 NC(=O)c1ccsc1NC(=O)COC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
50664 [O-][N+](=O)c1ccc(cc1)-c1c[nH]c(=S)[nH]1
50665 OC(=O)c1ccccc1N=NCc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O |w:9.9|
50666 OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1cc(F)ccc1O
50667 [O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|
50668 Clc1ccccc1OCc1nnc(SCC(=O)NC(=O)NCc2ccco2)o1
50669 COc1cc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc(OC)c1O |w:6.6|
50670 CCNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
50671 OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 |w:7.6|
50672 CC(N=Nc1cccc(c1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
50673 CC(=O)Nc1ccc(cc1)C1=NN=C(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)SC1 |t:11,13|
50674 OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
50675 O=c1n(Cc2ccco2)c(=S)[nH]c2sc3CCCc3c12
50676 Oc1cc([O-])ccc1\C=[NH+]\N1C(=O)c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O
50677 Cc1ccccc1C(=O)Nc1nc(cs1)-c1cccnc1
50678 OC(=O)\C=C\c1cn(nc1-c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
50679 O=C1N(C(=S)S\C1=C/c1ccco1)c1cccnc1
50680 OC(=O)c1ccccc1N=NCc1cc(Br)cc(Br)c1O |w:9.9|
50681 OC(=O)c1ccc(NN=CC2=C(N3CCOCC3)C(CC2)=Cc2ccccc2)cc1 |w:8.7,21.23,c:10|
50682 O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
50683 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccncc1
50684 Oc1csc(=S)n1N=Cc1ccc(O)c(O)c1O |w:7.7|
50685 [O-][N+](=O)c1cc(Cl)c[c-](C=[NH+]NC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1=O |w:10.10|
50686 CC(N=Nc1ccc(cc1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
50687 [O-][N+](=O)c1ccc(cc1)N(C(=O)CCl)c1c(C=O)[nH]c2ccccc12
50688 OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
50689 ON1ON=C2C1CCC(N=O)=C2N=Nc1ccccc1 |w:12.13,c:3,11|
50690 O=C1Nc2ccc3sc4ccccc4c3c2C1=O
50691 OC(=O)CCC(=O)NCCc1c(\C=C2\C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)[nH]c2ccccc12
50692 Oc1c(C=Nc2ccccn2)sc2ccccc12 |w:4.4|
50693 Fc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)cc1 |w:12.13,t:6|
50694 BrC(C=Nn1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1)=Cc1ccccc1 |w:3.3,21.24|
50695 O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN=Cc1cccnc1 |w:20.21|
50696 OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
50697 OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3cc4ccccc4cc3O)sc2=O)c1 |w:14.14|
50698 Cc1c(O)ccc(CN=Nc2nc(nc3ccccc23)-c2cccnc2)c1O |w:9.9|
50699 COc1ccc(cc1OC)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
50700 COc1cc(ccc1-c1ccc(\C=N\NC(=O)c2ccccc2O)o1)[N+]([O-])=O
50701 Cc1cccc(N=Cc2sc3ccccc3c2O)n1 |w:6.5|
50702 [O-]c1ccc2[n+]([O-])c3ccc(=O)cc3oc2c1
50703 CS(=O)(=O)c1ccc2c(c1)sc1nc(=O)c(\C=C3\C=CC(=O)C(O)=C3)c(N)n21 |c:19,24|
50704 Cl[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-c2cc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)ccc-12
50705 Oc1ccc(C=Nn2c(csc2=NCC=C)-c2ccco2)c(O)c1O |w:6.6,12.13|
50706 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
50707 COc1ccc(cc1)C1C(C(=O)OCC=C)=C(C)N=c2s\c(=C3\C(=O)N(CC(O)=O)c4ccccc34)c(=O)n12 |t:16,19|
50708 CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 |w:15.14|
50709 COc1ccc(NC(=S)NNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1
50710 Oc1ccc(cc1O)C1CC(=O)c2ccc(O)c(O)c2O1
50711 COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O
50712 C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:15|
50713 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C(C)=C)C(N)=O)C1 |t:13|
50714 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
50715 C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15|
50716 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
50717 COc1ccc2[nH]c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:11|
50718 CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:18,21,t:16|
50719 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:25,t:5,7|
50720 [O-]c1[nH]c(=O)n(Cc2ccc(F)cc2)c(=O)c1[CH+]c1ccc(s1)[N+]([O-])=O
50721 COc1cc(C=Cc2nc3ccccc3c(=O)n2-c2cccc(O)c2)ccc1O
50722 OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1cc(Cl)ccc1Cl |w:9.9|
50723 OC(=O)CCCCCN1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Cl)cc2)C1=O
50724 Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)[nH]1 |w:10.11|
50725 OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)o1 |w:15.16|
50726 OC(=O)c1ccc(cc1)-n1cccc1C=NNC(=O)c1cc2cc(Br)ccc2o1 |w:15.17|
50727 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
50728 OC(=O)c1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:14.15|
50729 O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
50730 Cc1n(Cc2ccccc2)c(=O)cc2[n-]n(-c3nc4ccccc4s3)c(=O)c12
50731 Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O |w:14.15|
50732 COc1ccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c(OC)c1OC |w:8.8|
50733 Cn1cc(C(=O)N\N=C\c2ccc(cc2)[N+]([O-])=O)c2ccccc12
50734 COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
50735 Fc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1
50736 CN1C(=O)\C(=C2/SC(=S)N(CCCCCC(O)=O)C2=O)c2ccccc12
50737 C\C(\C=C1/SC(=S)N(C1=O)c1ccc(cc1)C(O)=O)=C/c1ccccc1
50738 COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c23)c1OC |w:9.9|
50739 Cc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
50740 COc1ccc(CC(=O)n2[nH]c(=O)ccc2=O)cc1OC
50741 O=C1N(C(=S)S\C1=C\c1ccccn1)c1ccc(cc1)S(=O)(=O)Nc1nccs1
50742 [O-][N+](=O)c1cccc2C(=O)CC(=O)c12
50743 COc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
50744 Brc1ccc2NC(=O)\C(=C/C(=O)c3ccc4OCOc4c3)c2c1
50745 CCN(CC)C(=O)CC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
50746 COc1ccc(cc1)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
50747 COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O
50749 CN1CC2C(c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|
50750 CC(C)OC(=O)CC(=O)c1sc2nc3CCN(C)Cc3cc2c1N
50751 O=c1[nH]c2cc3OCOc3cc2cc1CN(Cc1nnnn1CC1CCCO1)C1CCCCC1
50752 N=C1C(C#N)=C2CCCCC2C(c2cccnc2)C1(C#N)C#N |t:4|
50753 COc1ccc(OC)c(c1)C1C2CN(CCC2=C(C#N)C(=N)C1(C#N)C#N)C(C)C |t:18|
50754 CCN1CC=C2C(C1)C(C(C#N)C(=N)C2(C#N)C#N)c1ccc(Cl)s1 |c:4|
50755 CCOc1ccc2nc(N3CCCN(CC3)C(=O)Nc3ccccc3C)c(cc2c1)C#N
50756 COc1cccc(C2C3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1OC |t:15|
50757 COc1ccc2nc(N3CCCCC3)c(cc2c1)C#N
50758 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nccs1
50759 O=C(Nc1ccc(cc1)-n1cnnn1)C1CCC1
50760 CCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
50761 COc1ccc2nc(N3CCC(C)CC3)c(cc2c1)C#N
50762 C(N1CCCc2ccccc12)c1nnnn1CC1CCCO1
50763 O=C(NCCCn1ccnc1)c1ccc2OCCOc2c1
50764 CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC(C)CC1
50765 CCCn1c(=O)c(sc1=C(C#N)C#N)=C1C=Cc2ccccc2N1CC |w:14.25,c:16,(3.08,2.52,;4.61,2.36,;5.24,.95,;6.77,.79,;7.8,1.93,;7.48,3.44,;9.21,1.31,;9.05,-.22,;7.54,-.54,;6.91,-1.95,;5.38,-2.11,;3.85,-2.27,;7.82,-3.2,;8.72,-4.44,;10.54,2.08,;10.54,3.62,;11.87,4.39,;13.21,3.62,;14.58,4.44,;15.98,3.65,;15.98,2.05,;14.58,1.26,;13.21,2.08,;11.87,1.31,;11.87,-.23,;13.21,-1,)|
50766 CC1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:4|
50767 O=C1N(C(=O)c2ccc(N3CCCCC3)c3cccc1c23)c1ccccn1
50768 COc1ccc2nc(N3CCCC(O)C3)c(cc2c1)C#N
50769 CC(O)CCc1nc2ccc(cc2[nH]1)C(O)=O
50770 CCNc1cccc2C(=O)N(C)C(=O)c12
50771 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nccs1)c1cccc(OCC=C)c1
50772 CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cc(Cl)ccc1Cl |c:5|
50773 COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1
50774 CN1CCC2(CC1)C1CN(C)CCC1=C(C#N)C(=N)C2(C#N)C#N |t:15|
50775 CCCCOc1nc2nc(-c3ccco3)n(Cc3ccco3)c(N)c2c1C#N
50776 Cn1c2ncc(Cl)cc2[nH]c1=O
50777 N=C1C(C#N)C(C(C#N)=C2Sc3ccccc3N12)c1ccccc1 |t:8|
50778 CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccsc1)C(N)=O)C(C)=O |c:9,11|
50779 COC(=O)CN1C(=O)N(C(N(O)C(=O)Nc2ccccc2)C1(C)C)c1ccccc1
50780 Cc1nc2nc(cn2nc1C)-c1cccs1
50781 CCN1C(=O)Nc2ccc(OC)cc2C1=C
50782 COC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O
50783 CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O |w:14.15|
50784 CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccc2OCOc2c1
50785 CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)NCc1ccccc1
50786 Cc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
50787 CC1CCc2cccc3Oc4cc(C#N)c(cc4N1c23)C#N
50788 CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1
50789 CCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
50790 Oc1ccc(O)n1-c1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:11|
50791 Nc1c(c2nc3ccccc3nc2n1Cc1ccco1)S(=O)(=O)c1ccccc1
50792 CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
50793 O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1ccccc1
50794 Cc1ccc(cc1C)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
50795 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C2=O)c1ccc(F)cc1)C(=O)c1ccco1 |c:4|
50796 COc1ccc(cc1)C1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1
50797 COc1ccc(cc1)S(=O)(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
50798 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)NC2=O)C(=O)c1cccs1 |c:4|
50799 Oc1c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c(O)n1-c1ccccc1
50800 COc1ccc(Cl)cc1CN1CCN(CC1)c1nc(C)cc(C)c1C#N
50801 Cc1ccc(cc1)-c1noc(CCC(=O)N2CCCC2)n1
50802 CC(=O)c1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
50803 Cc1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
50804 CCOC(=O)c1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
50805 Cc1ccc(C)c(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
50806 CCN(CC)c1nc2ccccc2nc1C(C#N)C(=O)NCCc1ccccc1
50807 C=CCN1CC(CC1=O)c1nc2ccccc2n1CCOc1ccccc1
50808 CCOC(=O)Cc1csc(SCC(=O)Nc2sc3CCCc3c2C(N)=O)n1
50809 O=C(Nc1ccc2[nH]c3CCCCc3c2c1)c1ccco1
50810 Cc1cc(C(=O)COC(=O)COc2ccccc2C#N)c(C)n1CC=C
50811 Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc12
50812 Nc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 |t:6|
50813 Nc1sc(=S)c2CCCCc2c1C#N
50814 COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1
50815 Cc1ccc(C)n1-c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1 |(11.11,3.09,;9.64,3.57,;9.17,5.03,;7.63,5.03,;7.15,3.57,;5.72,4.15,;8.4,2.67,;8.4,1.13,;9.73,.36,;9.73,-1.18,;8.4,-1.95,;7.06,-1.18,;7.06,.36,;5.55,.09,;4.44,1.16,;3.08,.43,;3.35,-1.08,;4.87,-1.3,;11.07,-1.95,;10.3,-3.29,;11.84,-.62,;12.4,-2.72,;13.73,-1.95,;15.07,-2.72,;15.07,-4.26,;13.73,-5.03,;12.4,-4.26,)|
50816 COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCc4ccccc34)C1=O)oc1ccccc21
50817 CC(C)(C)NC(=O)c1sccc1C(O)=O
50818 COC(=O)C(Nc1nccs1)(OC)C(F)(F)F
50819 Cc1ccsc1C1CC(=Nc2ncnn12)c1cccc(Br)c1 |c:9|
50820 COc1ccc(CCNC(=O)COc2nsnc2N2CCOCC2)cc1OC
50821 [O-]N1C2=C(CCCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
50822 CC(C)CN(CC(C)C)S(=O)(=O)c1ccc2N(CCCc2c1)C(C)=O
50823 O=C(CCN1C(=O)COc2ccccc12)NCc1ccco1
50824 COc1ccc(cc1OC)C1CC(=Nc2ncnn12)c1ccc(Br)s1 |c:13|
50825 O=S(=O)(Nc1ccc2OCCOc2c1)c1cccc2cccnc12
50826 Cc1cccn2c1nc1n(CCOCCO)c(=N)c(cc1c2=O)C(=O)NCc1ccco1
50827 COC(=O)c1ccc2c(c1)nc(sc2=O)N1CCC(CC1)C(N)=O
50828 COc1ccc(OC)c(C=c2sc3nc(nn3c2=O)-c2cccs2)c1
50829 COc1ccc2nc(C)cc(N3CCOCC3)c2c1
50830 CCOC(=O)CC(=O)CSc1nc(ccc1C#N)-c1cccnc1
50831 CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C
50832 CCOC(=O)c1c(C)nc(C)cc1Nc1ccccc1N
50833 Cc1ccn(n1)C(=O)c1ccc(NC(=O)C2CCCCC2)cc1
50834 COc1cccc(Nc2ncccc2C(=O)NCc2ccccc2)c1
50835 CCOC(=O)N1CCC(CC1)Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
50836 Clc1ccc(cc1)C1CC(=Nc2nc(nn12)C(=O)N1CCOCC1)c1ccccc1 |c:10|
50837 COc1ccc(cc1)S(=O)(=O)NCCc1ccc(F)cc1
50838 CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O
50839 O=C1c2ccccc2-c2ncnc3c(cc(N4CCOCC4)c1c23)N1CCOCC1
50840 Clc1cnc2N3CCCC3C(=O)Nc2c1
50841 Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1
50842 Cc1c(C#N)c2ncnc(-c3ccccc3)c2n1-c1ccccc1
50843 Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccccc1)-c1ccccc1
50844 O=c1[nH]c2Nc3ccccc3N=Cc2s1 |c:12|
50845 CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(C)c1
50846 CC(C)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34
50847 OCCCN1C(=O)C2=C(SCCS2)C1=O |t:7|
50848 CN(CCO)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1C
50849 C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1ccco1
50850 CN1CCCc2cc3c(cc(=O)oc3nc12)C(F)(F)F
50851 NC(=O)CSc1nc2CCCCc2c(-c2ccc(O)cc2)c1C#N
50852 COc1ccc2ccccc2c1C(O)c1nccn1C
50853 O=C(C1C(N(C(=O)C1=O)c1ncccn1)c1cccs1)c1ccco1
50854 [H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)CC2)C(C)(C)O |c:28|
50855 CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |c:27|
50856 CN(Cc1c(C)nn(C)c1C)C(=O)C1c2ccccc2Oc2ccccc12
50857 O=C1CCNc2ccc(cc12)-c1ccccc1
50858 CCSc1nc2sc3CCCCc3c2c(=O)[nH]1
50859 Oc1ccccc1C=NC1=NN(CC1)c1cccc(c1)C(F)(F)F |w:8.9,t:10|
50860 Cc1ccc2nc(SCC(=O)Nc3ccccc3N3CCOCC3)c(cc2c1)C#N
50861 Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(C)cc1
50862 COc1cc(N2CCCC2)c(OC)cc1\C=C(\C#N)c1ccc(F)cc1
50863 COc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
50864 CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
50865 CC(C)c1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1
50866 Cc1cccc(NC(=O)CSc2nnnn2C)n1
50867 NC(=O)c1sc2nc3CCCc3c(-c3ccccc3)c2c1N
50868 CC1(OCCO1)c1ccc2noc(-c3ccc(F)cc3)c2c1
50869 FC(F)(F)c1cnc(C(CCC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(Cl)c1
50870 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1 |c:4|
50871 CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O |w:11.11|
50872 CC(C)(C)N1CC(CC1=O)c1nc2ccccc2n1CCOc1ccccc1
50873 CN(C)c1ccc(C=c2sc3=NC4(N(C)C(=O)N(C)C4(Nn3c2=O)c2ccccc2)c2ccccc2)cc1 |t:10|
50874 Oc1ccc2C(=O)\C(Oc2c1CN1CCCCC1)=C\c1ccco1
50875 FC(F)(F)c1cc(=O)oc2c3CCCN4CCCc(cc12)c34
50876 O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1
50877 Cc1noc(\C=C\c2ccc(o2)-c2ccccc2Cl)c1[N+]([O-])=O
50878 CS(=O)(=O)n1nc(nc1SCc1ccccc1)-c1ccc(Cl)cc1
50879 CCOc1ccc(NC(=O)c2cc3c(C)nc4ccccc4c3o2)cc1
50880 OCCCc1nc2N=C(CC(c3cccs3)n2n1)c1ccc(Br)cc1 |c:7|
50881 CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
50882 COc1ccc(\C=C2/N=C(OC2=O)c2c(C)onc2-c2ccccc2)cc1OC |c:8|
50883 CCOC(=O)c1cc2C(=O)c3ccccc3-n2c1N=CN(C)C |w:18.20|
50884 Cc1ccc(OCCn2c(nc3ccccc23)C2CN(Cc3ccccc3)C(=O)C2)cc1
50885 Clc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
50886 Cn1c(nc2c1c1ccccc1c1ccccc21)-c1ccc(C=O)s1
50887 [H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-c1ccccc1)-[#6]-3=O)\[#6]2=[#6](/c1ccccc1)-c1ccccc1 |c:2,TLB:8:7:20:3.2,THB:18:6:20:3.2|
50888 CCC(C)NC(=O)c1ccc(CSCc2cccc(F)c2)o1
50889 Brc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
50890 CCC(=O)Nc1nc2N=C(CC(c3ccc(OC)cc3)n2n1)c1ccccc1 |c:8|
50891 O=c1oc2ccccc2cc1-c1nc(cs1)-c1cccs1
50892 S=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
50893 CCc1nnc(N=C2S\C(=C/c3ccc(cc3)N(C)C)C(=O)N2CC=C)s1 |w:6.5|
50894 COc1ccc(cc1)C(=O)Cc1nc2ccccc2n(-c2ccccc2)c1=O
50895 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
50896 Oc1oc(nc1C=Nc1cccc2ccccc12)-c1ccccc1 |w:7.8|
50897 CC(C)CN1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O
50898 [H][C@]12[C@H](N3C=Cc4ccccc4C3[C@@]1([H])C(=O)N(C1CCCCC1)C2=O)C(C)=O |c:4|
50899 CCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccoc1 |c:5|
50900 CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(=CN2[C@H](C1c1ccc(Cl)c(Cl)c1)C(N)=O)C(C)=O |c:9,11|
50901 CN(C)c1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCCC(O)=O |c:17,t:9|
50902 COc1ncnc2SC3=C(CC(C)(C)CC3=Nc12)NCCC(O)=O |c:16,t:8|
50903 CCN(CC)c1ccc(C=c2sc3nnc(-c4ccccc4C)n3c2=O)cc1
50904 COc1ccc2n(CC(=O)OC(C)C)c3nc4ccccc4nc3c2c1
50905 CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc12
50906 CCOC(=O)c1[n+]([O-])c2cc(OC)ccc2n(O)c1=O
50907 CCOc1ccc(cc1)-c1nn(cc1\C=C1/SC(=S)N(C2CCS(=O)(=O)C2)C1=O)-c1ccccc1
50908 CC(C)NC(=O)c1sc2nc(cc(-c3cccs3)c2c1N)-c1cccs1
50909 Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2ncccc2c1
50910 CCOCCCNc1nc2c(C)cccn2c(=O)c1\C=C1/SC(=S)N(CC(C)C)C1=O
50911 CCCNC(=O)COC(=O)c1[nH]c(C)c(C(=O)OCC)c1C
50912 Cc1cc(ccc1F)S(=O)(=O)Nc1nc(CN2CCOCC2)nc2sc3CCCCc3c12
50913 CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2nc3CN(Cc4ccccc4)CCc3s2)cc1
50914 Nc1nnc(s1)-c1cc2c(ccc3ccccc23)oc1=O
50915 CNC(=S)NN(c1ccccc1)c1ccccc1
50916 CCc1ccc(NC(=O)c2ccc3ncsc3c2)cc1
50917 COc1ccc2C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)N(Cc3ccco3)C(=O)c2c1 |w:7.7|
50918 Cc1noc(C)c1CSc1nnc(-c2cccnc2)n1-c1ccccc1C |(6,-1.13,;5.1,.11,;3.56,.11,;3.08,1.58,;4.33,2.48,;4.33,4.02,;5.57,1.58,;7.04,2.06,;8.18,1.02,;9.65,1.5,;10.12,2.97,;11.66,2.97,;12.14,1.5,;13.6,1.02,;13.92,-.48,;15.39,-.96,;16.53,.07,;16.21,1.58,;14.75,2.06,;10.89,.6,;10.89,-.94,;12.23,-1.71,;12.23,-3.25,;10.89,-4.02,;9.56,-3.25,;9.56,-1.71,;8.22,-.94,)|
50919 COCCOC(=O)c1sc(=S)n(CCOC)c1N
50920 CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)c21
50921 O=c1c(CN=Nc2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 |w:4.3|
50922 CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2ccc(F)cc2)c(=S)[nH]c1=O |w:14.15|
50923 Oc1ccc2C(=O)N(Cc3ccccc3)C(=O)c3cccc1c23
50924 CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2ccccc2F)c(=S)[nH]c1=O |w:14.15,(6.1,6.56,;7.13,5.42,;6.65,3.95,;7.68,2.81,;9.19,3.13,;7.2,1.34,;5.75,.87,;4.41,1.64,;3.08,.87,;3.08,-.67,;4.41,-1.44,;5.75,-.67,;7.2,-1.13,;8.1,.1,;9.64,.1,;10.41,-1.23,;11.95,-1.23,;12.72,-2.56,;11.95,-3.9,;14.26,-2.56,;15.03,-3.9,;16.57,-3.9,;17.34,-5.23,;16.57,-6.56,;15.03,-6.56,;14.26,-5.23,;12.72,-5.23,;15.03,-1.23,;16.57,-1.23,;14.26,.1,;12.72,.1,;11.95,1.44,)|
50925 COC(=O)c1cc2c(-c3ccccc3)c(C)c3ccccn3c2c1C(=O)OC
50926 COC(=O)c1cc2c(C)cc3ccc(C)cn3c2c1C(=O)OC
50927 COC(=O)c1cc2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21
50928 COC(=O)c1cc2c(C)c(C)c3ccccn3c2c1C(=O)OC
50929 CC(C)c1ccc(\C=C\C(=O)n2nnc3ccccc23)cc1
50930 COc1ccccc1NC(=O)c1sc2nc(Cc3ccccc3)cc(c2c1N)C(F)(F)F
50931 CCn1c(SCc2ccc(cc2)C(=O)Nc2nccs2)nnc1-c1ccc(N)cc1
50932 COC(=O)c1cc2c(cc3ccccn3c2c1C(=O)OC)-c1ccccc1
50933 CCOc1ccc(NC=C2C(C)=C(C#N)C(=O)N(CCc3ccccc3)C2=O)cc1 |w:8.7,t:11|
50934 Cc1cc(ccc1C=NNC(=O)c1ccco1)N(CCCl)CCCl |w:8.9|
50935 [#8]-c1ccc(cc1)-n1cccc1\[#6]=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
50936 CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(cc2)N(C)C)cc1 |w:14.15,t:8|
50937 CS(=O)(=O)Nc1nc2N=C(CC(c3ccccc3)n2n1)c1ccc(Br)cc1 |c:8|
50938 Cc1ccc(cc1)C(=O)NN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
50939 Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(CC1)c1ccccc1F
50940 Cc1ccnc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
50941 Cc1ccc(CSc2nnc-3c(OC4(Nc5ccccc-35)C(=O)Nc3ccc(F)cc43)n2)cc1
50942 COc1ccc(CCNc2nc(cs2)-c2cccnc2)cc1OC
50943 Cc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc45)c(N)c3cc12
50944 COc1ccccc1Nc1nc2ccc(C)cc2cc1C#N
50945 COc1ccc(cc1)\N=N\c1nc2ccc(Br)cc2n1C
50946 N=C1OC2=C(CC\C2=C/c2ccccc2)C(C1C#N)c1ccccc1 |t:3|
50947 CCOC(=O)C(=O)C(=C/N(C)C)\c1onc(c1C(=O)OC)-c1ccccc1
50948 Cc1cc(n2nc(cc2n1)-c1sccc1-n1cccc1)C(F)(F)F
50949 C1CN(CCN1c1nc2nccc(-c3ccccc3)n2n1)c1ccccc1
50950 [O-][N+](=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
50951 Clc1cccc(c1)C(=O)NNC(=O)c1sccc1-n1cccc1
50952 COc1cc(C=Nc2oc(cc2C#N)-c2ccccc2)ccc1O |w:6.6|
50953 Cc1ccc(NN=C2C(=O)N(CN3CCOCC3)c3ccccc23)cc1 |w:6.5|
50954 CC(=O)NC1C(OCCOc2ccc(Cl)cc2Cl)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
50955 CCN(CC)c1ccc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1
50956 OC(=O)COc1ccc(cc1)-c1nccc(n1)-c1cccs1
50957 COc1ccc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
50958 CCOc1ccc(N=CCC(=O)c2ccc(OC)cc2)c(c1)[N+]([O-])=O |w:7.6|
50959 COc1cc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CC(C)(C)C3)c(cc1OC)[N+]([O-])=O |c:12|
50960 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccccc1
50961 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccc(Cl)cc1
50962 COC(=O)c1ccc(C)c(NC(=O)CCSc2ccc(Cl)cc2)c1
50963 Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1cccnc1
50964 CCN(CC)c1ccc(C=C(C#N)c2nc3ccc(C)cc3[nH]2)c(OC(C)C)c1 |w:9.8|
50965 CCN(CC)C(=O)C(\NC(=O)c1ccccc1OC)=C/c1ccc(Br)cc1
50966 Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCCc2ccccc12
50967 CN(C)c1ccc(\C=C2/SC(=O)N(CC(O)Cn3c4ccccc4c4ccccc34)C2=O)cc1
50968 CCc1ccc2nc3sc(C(=O)N4CCc5ccccc45)c(N)c3cc2c1
50969 COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(c1)-c1cc2ccccc2oc1=O
50970 N#C\C(=C/C=C/c1ccccc1)c1nc(cs1)-c1ccc2OCOc2c1
50971 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)c2nc3ccccc3s2)o1
50972 CCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
50973 O=C(CSc1ccccn1)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
50974 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
50975 CC(C)OC(=O)c1c2c(C(=O)c3ccccc3C2=O)n2ccccc12
50976 Fc1ccccc1CSc1nnc-2c(OC3(Nc4ccccc-24)C(=O)Nc2ccc(Cl)cc32)n1
50977 COc1ccc(cc1)-n1c(C)cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c1C
50978 CN1C(=S)NC(=O)\C(=C\N2CCc3ccccc23)C1=O
50979 [O-][N+](=O)c1cccc(NC(=O)c2cnccn2)c1
50980 COc1ccc(c(OC)c1)-c1cc(c2c(n1)sc1c2[nH]c(O)cc1=O)C(F)(F)F
50981 COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccc(C)cc3)c(N)c12
50982 COc1cccc(c1)C(=O)Cc1nc2ccc(cc2[nH]c1=O)C(=O)NCCc1ccc(Cl)cc1
50983 Cc1ccc(cc1-c1ccc(C=C(C#N)c2n[nH]c(N)c2C#N)o1)[N+]([O-])=O |w:11.11|
50984 Cc1cc(-c2ccccc2)c(C#N)c(=S)[nH]1
50985 [O-][N+](=O)c1ccc(C=Cc2nc3ccc(cc3[nH]2)[N+]([O-])=O)cc1 |w:8.8|
50986 COc1cc2CC[n+]3cc4c5OCOc5ccc4cc3-c2cc1OC
50987 Cc1ncc(n1Cc1cccc2ccccc12)[N+]([O-])=O
50988 Cc1ccc(NC2=NC(=O)C(S2)=Cc2cn(C)c3ccccc23)cc1C |w:12.13,t:6|
50989 CCCN1C(=O)C(=NNc2ccc3ccccc3n2)c2ccccc12 |w:7.7|
50990 Cc1cc(\C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1
50991 CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1
50992 CSC1=NSC2=NC(=O)\C(=C\c3coc4ccccc4c3=O)C(=N)N12 |t:2,5|
50993 CSC1=NSC2=NC(=O)\C(=C\c3coc4ccc(O)cc4c3=O)C(=N)N12 |t:2,5|
50994 COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
50995 Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1 |w:10.10|
50996 COc1ccc(cc1)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
50997 CC(=O)Oc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)c1cccc(NC(=O)c2ccc(OC(C)=O)cc2)c1
50998 Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1 |t:7|
50999 CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
51000 CCOc1cc(Br)c(Br)c(C=Nc2ccc(NC(C)=O)cc2)c1O |w:11.11|
51001 Cc1ccc(C)c(c1)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O |(7.19,4.65,;8.52,3.88,;9.85,4.65,;11.19,3.88,;11.19,2.34,;12.52,1.57,;9.85,1.57,;8.52,2.34,;9.85,.03,;8.52,-.74,;7.14,.08,;5.75,-.71,;5.75,-2.32,;7.14,-3.11,;8.52,-2.28,;9.85,-3.05,;11.19,-2.28,;11.19,-.74,;12.56,.08,;13.96,-.71,;15.29,.06,;13.96,-2.32,;12.56,-3.11,;12.55,-4.65,;4.42,-3.09,;3.08,-2.33,;4.42,-4.63,)|
51002 CCN1\C(Sc2ccccc12)=C1/SC(=S)N(Cc2ccccc2)C1=O
51003 CCc1cccc2cc3c(N)c(sc3nc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
51004 CCN(CC)c1ccc2cc(C(=O)NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)c(=O)oc2c1
51005 Cc1ccc(cc1)C(NC(=O)C1CCCCC1)c1c(O)ccc2ccccc12
51006 CC1(C)CC(=O)C2=C(C1)OC(=[NH2+])[C-](C#N)C2c1cc2OCOc2cc1[N+]([O-])=O |c:6|
51007 Fc1ccccc1-c1ccc(\[#6]=[#6](\C#N)C#N)o1
51008 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)CC1(C#N)C(N)=C(CC1(C#N)C#N)C=O |c:23,TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
51009 O=C(CSc1nnc(SCc2ccccc2)s1)NN=C\C=C/c1ccco1 |w:18.19|
51010 Cc1ccccc1NC(=O)CSc1ccsc1[N+]([O-])=O
51011 CN(\N=N\c1ccc(cc1)[N+]([O-])=O)c1ccccc1
51012 CC(C)Nc1c(F)c(F)c2c(C)c3ccccc3nc2c1F
51013 CN(C)c1c(F)c(F)c2c(C)c3ccccc3nc2c1F
51014 Cc1c2ccccc2nc2c(F)c(NCCO)c(F)c(F)c12
51015 [#6]-[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)ccc1-[#8]-[#6]-[#6](=O)-[#7]-c1ccc(-[#6])cc1
51016 CSC1=NSC2=NC(=O)\C(=C/c3coc4ccccc4c3=O)C(=N)N12 |t:2,5|
51017 CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12
51018 [#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:11,17|
51019 Cc1ccc2C(=O)c3ccccc3-c3cccc1c23
51020 Oc1ccc2ccc3OC(=N)C(C#N)C(c4ccsc4)c3c2c1
51021 Cc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1C
51022 COc1ccc(\N=N\c2nc3cc(Br)c(Br)cc3n2C)c(OC)c1
51023 Cc1ccc(cc1)-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1
51024 Oc1n(-c2ccccc2Cl)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1 |(8.13,-2.3,;8.61,-.83,;7.7,.41,;6.16,.41,;5.39,-.92,;3.85,-.92,;3.08,.41,;3.85,1.75,;5.39,1.75,;6.16,3.08,;8.61,1.66,;8.13,3.12,;10.07,1.18,;11.53,1.65,;12.43,.41,;11.53,-.83,;12.01,-2.29,;10.98,-3.44,;11.46,-4.9,;12.96,-5.22,;13.99,-4.07,;13.51,-2.61,;10.07,-.36,;12.01,3.12,;10.98,4.26,;13.51,3.44,;14.54,2.29,;16.05,2.61,;16.53,4.07,;15.5,5.22,;13.99,4.9,)|
51025 Cn1c2c(O)c([nH]c2c(=O)n(C)c1=O)-c1ccccc1Cl
51026 Fc1ccc(\C=C2/CCC3=C2OC(=N)C(C#N)C3c2ccc(F)cc2)cc1 |c:9|
51027 CCOC(=O)C(=C/c1ccc(cc1)N1CCN(C\C=C\c2ccccc2)CC1)\C#N
51028 COc1ccc(cc1OC)C(=O)c1sc2nc(C)cc(-c3cccs3)c2c1N
51029 CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1OC
51030 CCCCCCn1c(=O)[nH]c2nc3cc(N)ccc3nc2c1=O
51031 Cc1cc(-c2cccs2)c2c(N)c(sc2n1)C(=O)c1ccc2OCOc2c1
51032 COc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1
51033 COc1ccc2n(Cc3ccc(OC(C)C)c(OC)c3)c3nc4ccccc4nc3c2c1
51034 COc1ccc2n(Cc3ccc(OC)c(OC)c3)c3nc4ccccc4nc3c2c1
51035 CC(=O)Nc1ccc(cc1)N1CCc2c1n1c3ccccc3nc1c(C#N)c2C
51036 CCc1cc[n+](cc1)-c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1
51037 Cc1cc(C)c[n+](c1)-c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Br)s1
51038 Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|
51039 CC1=C\C(=C/c2ccc(Br)o2)C(=O)O1 |t:1|
51040 CCCCCC(=O)NN=Cc1ccc(cc1)N(C)C |w:8.7|
51041 Cn1c2cccc3C(=O)c4ccccc4-c(c(Nc4ccc(O)cc4)c1=O)c23
51042 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
51043 CC(=O)Nc1ccc(Nc2c3-c4ccccc4C(=O)c4cccc(n(C)c2=O)c34)cc1
51044 COc1ccccc1NC(=O)CC(c1ccc(OC(C)C)cc1)c1ccccc1OC
51045 Fc1ccccc1CN=Nc1ncnc2nc[nH]c12 |w:9.10|
51046 Clc1cccc(c1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
51047 Clc1ccc(cc1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
51048 Clc1ccc(C(=O)OCCN2C(=O)c3cccc4c(ccc(C2=O)c34)N2CCOCC2)c(Cl)c1
51049 CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c1ccc(C)cc1
51050 Clc1cc(Cl)cc(c1)C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
51051 Clc1ccccc1C(=O)OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
51052 Cn1c(nc2ccccc12)C(C#N)c1c(Cl)c(=O)n(C)nc1[N+]([O-])=O
51053 CN(C)c1ccc(\C=C2/CCC\C(=C/c3ccccc3)C2=O)cc1
51054 CNc1cccc2C(=O)c3ccccc3C(=O)c12
51055 COc1ccccc1NC(=O)C(=C\c1cc(ccc1N1CCCC1)[N+]([O-])=O)\C#N
51056 CCOC(=O)C1C(CC(C=Cc2ccc(cc2)N(C)C)=CC1=O)c1ccccc1 |w:9.8,c:20|
51057 Cc1cc(nc2ccccc12)-c1ccc(cc1)N1CCOCC1
51058 Cc1cc(ccc1-c1ccc(\C=N\NC(=O)Cc2ccccc2)o1)[N+]([O-])=O
51059 CCc1ccc[n+](c1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:15.17|
51060 COc1ccc(cc1)-n1c(N)c(C#N)c2ccc(cc2c1=O)[N+]([O-])=O
51061 Oc1ccccc1C(=O)c1cc(C#N)c(=O)n(c1)-c1nccs1
51062 Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccc(C)cc1)-c1ccccc1 |c:15|
51063 Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccccc1)-c1ccccc1 |c:15|
51064 Oc1n(-c2ccc(Cl)cc2)c(=O)c2c([nH]n(-c3ccccc3)c12)C(=O)c1ccccc1
51065 Cc1cc(=O)oc2cc(OCC(=O)N\[NH+]=C\[c-]3cc(ccc3=O)[N+]([O-])=O)ccc12
51066 Cc1ccc(NC(=O)C(\C#N)=c2/sc(=C\C=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1C
51067 Nc1cccc(c1)C(=O)OCC(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
51068 COC(=O)c1c(Cl)c2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21
51069 [#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(-[#6])n1-c1ccc2-[#8]-[#6]-[#8]-c2c1
51070 Cc1ccc(cc1)C(=O)NN1C(=S)S\C(=C/c2cn(C)c3ccccc23)C1=O
51071 OCc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
51072 Oc1ccc(Br)cc1N=Cc1cccc(CC=C)c1O |w:8.8|
51073 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Nc1nnc(o1)-c1ccccc1Cl
51074 Cc1cc[n+](cc1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:14.16|
51075 Cc1ccc[n+](c1)-c1[nH]c(=O)sc1C=NNC(=O)c1ccccc1[O-] |w:14.16|
51076 Cc1cc[n+](cc1C)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:15.17|
51077 Clc1ccc(NC2=NC(=O)SC2=Cc2ccco2)cc1 |w:12.13,t:6|
51078 Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
51079 Cn1cc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc12
51080 CCOC(=O)c1[nH]cnc1N=Nc1c(O)ccc2ccccc12 |w:10.10|
51081 Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc3N(Cc4ccccc4)CCCc3c2)C1=O |w:14.15|
51082 CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)c1=O
51083 Cc1nn(c(N2CCCC2)c1\C=C1/N=C(OC1=O)c1ccc(F)cc1)-c1ccccc1 |c:15|
51084 Clc1ccc(cc1)C(=O)[C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1
51085 Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccccc1)\C#N |c:13|
51086 CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccccc1
51087 CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccc(Cl)cc1
51088 Br.[H][C@]12[C@H](O)c3ccccc3-c3c4OCOc4cc(CCN1C)c23
51089 Fc1ccccc1NC(=O)C(=C\C1=C(N2CCOCC2)\C(\CC1)=C/c1ccc(Cl)cc1)\C#N |c:13|
51090 [O-][N+](=O)c1cccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)c1 |c:27|
51091 Fc1ccccc1-[#7]-[#6](=O)-[#6](=[#6]/c1sc(nc1-c1ccccc1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)\[#6](=O)-[#7]-c1ccccc1F
51092 CCOc1ccc(-c2csc(NC(=O)CSc3nc(O)cn3C(C)=O)n2)c2ccccc12
51093 CCOC(=O)C(=C\c1ccc(cc1)N1CCN(Cc2ccccc2)CC1)\C#N
51094 C(C1CO1)[n+]1c([nH]c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
51095 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CC
51096 CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O
51097 Cc1cccc(C)c1NC(=O)COC(=O)c1c2CCC\C(=C\c3ccc4OCOc4c3)c2nc2ccccc12
51098 O=C(Nc1cccc2ccccc12)C(=C\c1sc(nc1-c1ccccc1)N1CCOCC1)\C#N
51099 CCOC(=O)C(=Cc1ccc(cc1)N1CCC(=N1)c1ccccc1)C(C)=O |w:6.6,c:17|
51100 Fc1ccc(C=NNC2=Nc3cccc4cccc2c34)cc1 |w:6.6,t:8|
51101 N(N=Cc1ccccc1)C1=Nc2cccc3cccc1c23 |w:1.0,t:10|
51102 COc1cccc(CN2C(=O)c3cccc(N)c3C2=O)c1
51103 CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)c1ccc(Cl)cc1
51104 Clc1cccc(NN=C2C(=O)Nn3c2nc2CCCc2c3=O)c1
51105 Cc1nc(Cl)c2OC3C(=O)CCCC3=Nc2n1 |c:14|
51106 CN(C)CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
51107 CCSc1cc(nc(n1)-c1ccccc1Cl)N1CCCC1
51108 Cc1cc(C)cc(c1)-n1c(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c1=S |w:13.14|
51109 CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2c1c(=O)[nH][nH]c2=O
51110 Oc1c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c(=S)n1-c1ccc(Br)cc1 |w:4.4|
51111 COc1ccc(cc1)-c1onc2ccc(Br)cc12
51112 COc1ccc(OC)c(\C=C2/SC(=S)N(Cc3cccnc3)C2=O)c1
51113 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1OC
51114 Fc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccc(Br)o1 |t:8|
51115 O=C(OCC#C)C(\NC(=O)c1ccccc1)=C\C=C\c1ccccc1
51116 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Br)c2)c(C)n1C |w:4.3|
51117 COc1ccc(cc1)-n1c(C)cc(\C=C2\SC(=S)N(C)C2=O)c1C
51118 CCOC(=O)Cn1c2ccccc2nc(-c2cc(Br)ccc2N)c1=O
51119 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
51120 NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
51121 CC(=O)NN=Cc1cc(cc(C=NNC(C)=O)c1O)C(C)(C)C |w:4.3,12.12|
51122 Fc1ccc(cc1)-c1cc([nH]n1)C(=O)NNC1=c2ccccc2=NC1=O |c:18,25|
51123 CCOC(=O)C1CCCN(C1)c1ccc([N+]([O-])=O)c2nonc12
51124 CCOc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
51125 CCN(CC)CCN1C2=C(C(C3=C1CC(C)(C)CC3=O)c1cccc(F)c1)C(=O)CC(C)(C)C2 |c:8,11|
51126 [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(-[#8]-[#6])c1-[#8]-[#6]
51127 CN(C)CCCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23
51128 [O-][N+](=O)c1ccc2C(=O)N(CC3CCCO3)C(=O)c3cccc1c23
51129 Cn1cc(\C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)c2ccccc12
51130 S=C(Nc1ccc2nc(-c3ccccn3)c(nc2c1)-c1ccccn1)N1CCCCC1
51131 Oc1ccc2C=C3C(=O)NC(=O)NC3(O)Oc2c1 |t:5|
51132 CCOc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1c(O)c2ccccc2oc1=O |c:14|
51133 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)no1
51134 CC(C)c1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccccc1
51135 Clc1ccccc1CN1C(=O)NC(=O)\C(=C/c2ccc[nH]2)C1=O
51136 CCOC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1
51137 CN(C)c1ccnc2sc(C(=O)c3ccc(Br)cc3)c(N)c12
51138 Cn1cc(C=C2SC(O)=NC2=S)c2ccccc12 |w:4.3,c:8|
51139 O=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1
51140 Cn1c2cccc3C(=O)c4ccccc4-c(c(NC4CCCCC4)c1=O)c23
51141 COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC(O)=O)cc2)C(=O)N1CCc1c[nH]c2ccccc12
51142 COC(=O)CN1C(=S)N(C(=O)\C1=C\c1ccc(cc1)N1CCOCC1)c1ccc(OC)cc1
51143 OCCNc1nc(Nc2ccc(Br)cc2)nc2ccccc12
51144 CCCCN1C(=O)C2Cc3c(CN2C1=S)[nH]c1ccccc31
51145 Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
51146 Nc1oc2cc(=O)ccc2cc1C(=O)Nc1ccccn1
51147 Cc1c(NC2=N\C(=N/C(=O)c3cccs3)c3ccccc23)c(=O)n(-c2ccccc2)n1C |t:4|
51148 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCC1
51149 [O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccc(Cl)cc1
51150 [O-][N+](=O)c1ccc2[nH+]c([n-]c(=O)c2c1)C(=O)N\N=C\c1ccccc1Cl
51151 Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCC1)c3=O
51152 Cc1cccc(c1)-n1c(=O)[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O
51153 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O
51154 COC(=O)c1cc(nc2ccccc12)N1CCN(C)CC1
51155 Cc1oc2cc(O)ccc2c(=O)c1-c1nncn1-c1ccccc1 |(8.62,2.38,;9.39,1.05,;10.72,1.82,;12.06,1.05,;13.43,1.87,;14.83,1.08,;16.16,1.85,;14.83,-.53,;13.43,-1.32,;12.06,-.49,;10.72,-1.26,;10.72,-2.8,;9.39,-.49,;8.05,-1.26,;7.89,-2.8,;6.39,-3.12,;5.62,-1.78,;6.65,-.64,;5.62,.51,;6.09,1.97,;5.06,3.12,;3.56,2.8,;3.08,1.33,;4.11,.19,)|
51156 Cc1c(NC2=N\C(=N/C(=O)c3ccc(F)cc3)c3ccccc23)c(=O)n(-c2ccccc2)n1C |t:4|
51157 CCOC(=O)c1oc2cc(OCC(=O)OC)ccc2c(=O)c1-c1ccc(OC)c(OC)c1
51158 [#6]-[#6]-n1c(-[#6])cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c1-[#6]
51159 [O-][N+](=O)c1ccc(Sc2cccc3cccnc23)c2cccnc12
51160 CC(C)(C)c1ccc(OCC(=O)Nc2ccc3C(=O)NC(=O)c4cccc2c34)cc1
51161 COC(=O)c1ccccc1NC(=O)Nc1ncccc1C
51162 Cn1cc(Cl)c(n1)C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O
51163 CC(C)c1cc(C=NNC(C)=O)c(O)c(C=NNC(C)=O)c1 |w:7.7,16.16|
51164 Cc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12 |w:8.8|
51165 Nc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
51166 CN(C)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccc1
51167 [#6]-[#7]-1\[#6](=[#6]\[#6]=[#6](\C#N)C#N)C([#6])([#6])c2ccccc-12
51168 O=c1ccc2cc3CCCN4CCCc(c34)c2o1
51169 CCCC(=O)NC(Oc1ccc(cc1)C(C)=O)C(Cl)(Cl)Cl
51170 COC(=O)CCCCC1SCC(NC(=O)c2ccccc2)C1Cl
51171 [O-][N+](=O)c1cccc(c1)-c1csc2ncn(CC(=O)NCc3ccco3)c(=O)c12
51172 CCCCN1C(=S)S\C(=C/C=C2\Oc3ccccc3N2CC)C1=O
51173 CCCN1C(=S)S\C(=C\C=C2\N(CC)c3ccccc3C2(C)C)C1=O
51174 CN1Cc2c(CC1(C)C)c(C#N)c(N)n(C)c2=S
51175 Cc1nnc(s1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1ccc(C)cc1
51176 [O-][N+](=O)c1ccc2C(=O)N(Cc3cccnc3)C(=O)c3cccc1c23
51177 [#6]-c1cc(ccc1\[#6]=[#6](\C#N)C#N)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
51178 COc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:9|
51179 [#6]-[#6]-[#6]-[#6]-[#8]-c1ccc2-[#7]\[#6](=[#6](\[#6](\Cl)=[#6](\Cl)Cl)/[#7+](-[#8-])=O)-c2c1
51180 CCN(CC)c1ccc(C=C2C(=O)OC(OC2=O)c2ccccc2)cc1 |(4.41,-7.01,;5.75,-6.24,;5.75,-4.7,;4.41,-3.93,;3.08,-4.7,;7.08,-3.93,;8.41,-4.7,;9.75,-3.93,;9.75,-2.39,;11.08,-1.62,;11.08,-.08,;12.42,.69,;13.75,-.08,;12.42,2.23,;11.08,3,;9.75,2.23,;9.75,.69,;8.41,-.08,;11.85,4.34,;13.39,4.34,;14.16,5.67,;13.39,7.01,;11.85,7.01,;11.08,5.67,;8.41,-1.62,;7.08,-2.39,)|
51181 Cc1ccc(NC(=O)C(C#N)C(=N)C(Cl)(Cl)Cl)nc1
51182 Cc1ccc2oc(=O)c(CC(=O)c3ccccc3)nc2c1
51183 CC(C)CSC1=NSC2=NC(=O)\C(=C/c3coc4ccccc4c3=O)C(=N)N12 |t:5,8|
51184 CCCCOc1ccc(cc1)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
51185 CC(=O)c1ccc(Nc2c3CCCCc3nc3ccccc23)cc1
51186 Cn1c2cccc3C(=O)c4ccccc4-c(c(Nc4ccc(Cl)cc4)c1=O)c23
51187 CCC1=NN2C(S1)=NC(=O)\C(=C\c1cccn1-c1ccc(Br)cc1)C2=N |c:7,t:2|
51188 COc1ccc(cc1OC)\[NH+]=C\c1c[c-](Cc2ccccc2Cl)cc([N+]([O-])=O)c1=O
51189 Cc1cccc(NNC2=c3cc(F)ccc3=NC2=O)c1 |c:8,16|
51190 CCN1CCN(CC(=O)N2N=C(CC2c2ccc(OC)c(OC)c2)c2cccs2)C(=O)C1=O |c:10|
51191 Cc1ccc[n+](c1)-c1[n-]c(=O)sc1C=O
51192 Cc1ccc2cc3c(N)c4c(C)ccc(C)c4nc3nc2c1
51193 CC(C)(CCl)C(=O)Nc1ccc(OC(F)(F)F)cc1
51194 CC(=NOC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1cnccn1 |w:2.2,(11.89,4.02,;12.21,2.52,;11.07,1.49,;9.6,1.96,;8.46,.93,;9.49,-.21,;6.99,1.41,;6.52,2.87,;7.42,4.12,;4.98,2.87,;4.5,1.41,;5.75,.5,;5.75,-1.04,;4.41,-1.81,;3.08,-1.04,;4.41,-3.35,;5.75,-4.12,;7.08,-3.35,;7.08,-1.81,;8.62,-1.81,;13.68,2.04,;14.82,3.07,;16.29,2.6,;16.61,1.09,;15.46,.06,;14,.53,)|
51195 O=C(Nc1nccs1)C(N1CCCC1)c1ccccc1
51196 CN(N1C(=O)c2cccc(N)c2C1=O)c1ncc(cc1Cl)C(F)(F)F
51197 O=Cc1cnc(s1)N1CCCCC1
51198 O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
51199 OC(=O)COn1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccccc1
51200 CCCSCC(=O)Nc1ncc2CCc3ccccc3-c2n1
51201 CN1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1
51202 [O-][N+](=O)c1ccc(cc1)N1N=C(CC1C#N)c1ccc(cc1)[N+]([O-])=O |c:11|
51203 COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1CC=Nc1ccc(Oc2ccccc2)cc1 |w:22.24|
51204 CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1
51205 Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)Nc1ccccn1
51206 Cc1cc[n+](cc1C)-c1[n-]c(=O)sc1\C=N\NC(=O)c1ccccc1
51207 COc1ccc(cc1)-c1cnnc(N=NC=CCc2ccco2)n1 |w:13.13,16.17|
51208 Nc1ccc2nonc2c1[N+]([O-])=O
51209 COc1ccc(C=NN=C2CC(C)(C)Cc3n[nH]c(=O)cc23)cc1 |w:8.7,6.5|
51210 CCO[C@H]1OC(=C[C@H]([C@@H]1CCCO)c1ccc(cc1)C(F)(F)F)C(=O)N1CCCCCCC1 |c:5|
51211 CC1CCCCC1NC(=O)CN1C(=O)c2cccc(N)c2C1=O
51212 Oc1ccc2C(=O)N(Cc3ccco3)C(=O)c3cccc1c23
51213 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#8]-1)=[#6](/C#N)-c1nc2ccccc2s1 |t:1,4|
51214 COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2c1sc(=CN(C)C)c2=O
51215 CN1CCN(CC1)C1=Nc2c(Cl)cc(Cl)c3cccc1c23 |t:8|
51216 CCOC(=O)C(=C\c1cc2ccccc2nc1N1CCCCC1)\C#N
51217 C1CN(CCO1)N=Cc1nc(-c2ccccc2)n2ccccc12 |w:6.6|
51218 COc1cc(cc(OC)c1OC)C1CC(=Nc2ncnn12)c1cccs1 |c:15|
51219 Cc1ccc(\C=C\C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)o1
51220 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CN1C(=O)c2cccc(N)c2C1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
51221 O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(cc1)-c1ccncc1)c1ccccc1
51222 CCCCNC(=O)CN1C(=O)c2cccc(N)c2C1=O
51223 Oc1ccc(C(=O)c2ccccc2)c(O)c1
51224 CC(=O)Nc1cccc(c1)C1=Nc2ncnn2C(C1)c1ccco1 |t:11|
51225 COc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
51226 COC(=O)C[n+]1cccc2ccccc12
51227 O=C(COC(=O)c1cccnc1)NC1CCCc2ccccc12
51228 COc1cc(CCC(=O)N2CCN(CC2)c2ncccn2)cc(OC)c1OC
51229 CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2)s1
51230 Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2Br)cc1
51231 CCn1c(CSc2nnc(N)[nH]2)nc2cc(ccc12)C(O)=O
51232 COc1ccc(NC(=O)CCl)cn1
51233 O=C1N=c2ccccc2=C1NNc1ccccc1 |c:9,t:2|
51234 Cn1c2ccc(N3CCCCC3)c3C(=O)c4ccccc4-c(cc1=O)c23
51235 Cc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
51236 COC(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
51237 CCCc1cc(=O)n([nH]1)-c1nc2ccccc2s1
51238 O=C1C([N-]S(=O)(=O)c2cccs2)=C(C(=O)c2ccccc12)[n+]1cccc(Cc2ccccc2)c1 |c:12|
51239 Cc1ccc2=NC(=O)C(NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)=c2c1 |c:29,t:4|
51240 Cc1c(sc2nc(nc(SCC(=O)Nc3ccccc3OC(F)F)c12)-c1ccc(C)cc1)C(O)=O
51241 COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccccc1
51242 Clc1ccc2SC3C(=O)CCCC3=Nc2c1 |c:13|
51243 CCC(C)N1CN(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(Cl)cc1
51244 O=C(CSc1nc2ncccc2[nH]1)Nc1ccc2OCOc2c1
51245 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1=O
51246 CCOCCCNc1nc2c(C)cccn2c(=O)c1\C=C1/SC(=S)N(C(C)CC)C1=O
51247 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
51248 [O-][N+](=O)c1cccc(c1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
51249 [O-][N+](=O)c1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
51250 CCN(CC)c1ccc(C=Cc2cc(-c3ccccc3)c3ccccc3n2)cc1
51251 CN(C)c1ccc(C=CC(=O)c2cc(Cl)ccc2O)cc1
51252 Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;8.01,2.04,;8.01,3.58,;9.34,4.35,;10.68,3.58,;10.68,2.04,;12.01,1.27,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
51253 CN(C)c1ccc(C=NNC(=O)c2cnc3ccccc3c2)cc1 |w:8.8|
51254 BrC1=Cc2cccc3cccc(C1=O)c23 |t:1|
51255 COC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:19|
51256 CN1CCN(CC1)c1[cH-]cc([N+]([O-])=O)[c+]2[n-]o[n+](=O)c12
51257 OC(=O)CC(O)(CC(O)=O)C(O)=O.COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)C3CC12 |t:16|
51258 Oc1ccc2ccccc2c1N=Nc1ccc(F)cc1 |w:11.12|
51259 Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
51260 CCN(CC)CCN1C(=O)c2cccc3cc(N)cc(C1=O)c23
51261 Clc1cc(Cl)c2NCCC(=O)c2c1
51262 O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1cc2ccccc2o1
51263 Oc1c(C#N)c(C#N)c(O)c2ccccc12
51264 CCN1C(=S)S\C(=C/C2=Cc3ccccc3OC2C)C1=O |t:8|
51265 Brc1ccc(cc1)C(=O)Cc1nc2ccccc2oc1=O
51266 COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccccc1 |(5.39,4.42,;6.16,3.08,;5.39,1.75,;3.85,1.75,;3.08,.41,;3.85,-.92,;5.39,-.92,;6.16,.41,;7.7,.41,;8.61,-.83,;8.13,-2.3,;10.07,-.36,;11.53,-.83,;12.43,.41,;11.53,1.65,;12.01,3.12,;10.98,4.26,;13.51,3.44,;13.99,4.9,;15.5,5.22,;16.53,4.07,;16.05,2.61,;14.54,2.29,;10.07,1.18,;8.61,1.66,;8.13,3.12,;12.01,-2.29,;13.51,-2.61,;13.99,-4.07,;12.96,-5.22,;11.46,-4.9,;10.98,-3.44,)|
51267 NC(=O)c1ccc(cc1)N=Nc1c(O)c2ccccc2[nH]c1=O |w:10.11|
51268 CC(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
51269 CCCCNc1ccc2C(=O)N(CCCC)C(=O)c3cccc1c23
51270 CC1(C)CC(=O)C2=C(C1)OC(=[NH2+])[C-](C#N)[C@@H]2c1ccccc1[N+]([O-])=O |c:6|
51271 CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1
51272 CC(=O)n1c(C=Nc2ccc(Cl)cc2)c(O)c2ccccc12 |w:6.6|
51273 COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccc(C)cc1 |(5.39,5.15,;6.16,3.81,;5.39,2.48,;3.85,2.48,;3.08,1.15,;3.85,-.19,;5.39,-.19,;6.16,1.15,;7.7,1.15,;8.61,-.1,;8.13,-1.56,;10.07,.38,;11.53,-.09,;12.43,1.15,;11.53,2.39,;12.01,3.85,;10.98,5,;13.51,4.17,;14.54,3.02,;16.05,3.34,;16.53,4.8,;15.5,5.95,;13.99,5.63,;10.07,1.92,;8.61,2.39,;8.13,3.86,;12.01,-1.56,;10.98,-2.7,;11.46,-4.17,;12.96,-4.48,;13.44,-5.95,;13.99,-3.34,;13.51,-1.87,)|
51274 OC1=NC(=S)C(S1)=Cc1c[nH]c2ccccc12 |w:7.8,t:1|
51275 CCn1c2ccccc2c2cc(NC(=O)c3coc(=O)c(Br)c3)ccc12
51276 COc1ccc(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c(OC)c1 |w:7.6|
51277 CC(C)Nc1nc(Cl)nc(n1)N(CN1C(=O)c2ccccc2S1(=O)=O)C#N
51278 O=C1CCCC2=Nc3ccccc3SC12 |t:5|
51279 CC(=O)Nc1ccc2nc3c(nc2c1)n(C)c(=O)n(C)c3=O
51280 CCn1c2ccccc2c2cc(NC(=O)c3ccc(=O)oc3)ccc12
51281 Cc1nn(C)cc1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
51282 Cc1cc(C=NNC(N)=S)c(O)c(C=NNC(N)=S)c1 |w:5.5,14.14|
51283 COC(=O)[C@@]1(C#N)[C@@H]2C=CC(=CN2[C@H]([C@@H]1c1ccc(F)cc1)C(N)=O)C(C)=O |c:8,10|
51284 CC(C)(C)c1cc[n+](cc1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:17.19|
51285 Cn1c2ccc(Br)c3C(=O)c4ccccc4-c(c(N)c1=O)c23
51286 Clc1ccccc1C(=O)[N-]c1ccc[n+](c1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
51287 Nc1cc2nc3ccccc3nc2cc1N
51288 CCCCn1c(=O)[nH]c2nc3cc(NC(C)=O)ccc3nc2c1=O
51289 O=C(NNC1=c2ccccc2=NC1=O)c1cc(n[nH]1)-c1cccs1 |c:4,11|
51290 COc1ccc(NC(=O)c2sc3nc(ccc3c2N)-c2cccnc2)cc1
51291 C\C=C\C=C\[C@H]1Cc2cc(O)cc(O)c2O1
51292 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1c1cccc(c1)C#N |c:27,t:7,9|
51293 CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccccc1 |c:6,33,t:4|
51294 CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCc1ccccn1 |c:6,33,t:4|
51295 Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
51296 COc1ccccc1-n1c(O)c2n([nH]c(C(=O)c3ccccc3)c2c1=O)-c1ccc(Br)cc1 |(5.39,5.15,;6.16,3.81,;5.39,2.48,;3.85,2.48,;3.08,1.15,;3.85,-.19,;5.39,-.19,;6.16,1.15,;7.7,1.15,;8.61,-.1,;8.13,-1.56,;10.07,.38,;11.53,-.09,;12.43,1.15,;11.53,2.39,;12.01,3.85,;10.98,5,;13.51,4.17,;14.54,3.02,;16.05,3.34,;16.53,4.8,;15.5,5.95,;13.99,5.63,;10.07,1.92,;8.61,2.39,;8.13,3.86,;12.01,-1.56,;10.98,-2.7,;11.46,-4.17,;12.96,-4.48,;13.44,-5.95,;13.99,-3.34,;13.51,-1.87,)|
51297 Cn1cccc1\C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O
51298 OC(=O)c1ccc(cc1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
51299 Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(CCc1ccccc1)c3=O
51300 Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl
51301 COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cn1
51302 CCN(CC)C(=O)CSc1nnc2nnc3cc(OC)ccc3n12
51303 CCN(CC)C(=O)CSc1nnc2nnc3cc(Cl)ccc3n12
51304 O=C1Nc2ccccc2C1=Cc1cnc([nH]1)-c1ccccc1 |w:10.12|
51305 FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1
51306 COc1ccc(NC(=O)NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1
51307 CSc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12
51308 Cc1ccc(cc1)-c1cc(-c2ccco2)c(C#N)c(=O)[nH]1
51309 COc1ccc(cc1)C(CC(=O)N1CCOCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
51310 Cc1cc2nc3c(nc2cc1C)C1(CCC3(C)C1(C)C)C(O)=O |TLB:7:6:17:14.13,THB:4:5:17:14.13|
51311 CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1cccnc1
51312 CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1ccccc1
51314 CC1(C)CC(CC(C)(C)N1)\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
51315 OC(=O)c1cccc(c1)N=Nc1ccc(O)c(C=O)c1 |w:9.9|
51317 Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
51319 CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
51320 CCOC(=O)N1CCN(CC1)c1c(-c2ccc(C)cc2)c(=O)c1=O
51321 COc1ccc(C2C(=O)c3ccccc3C2=O)c(OC)c1
51322 COc1cccc(c1)C1=NOC(C1)C(=O)N1CCC2(CC1)OCCO2 |t:9|
51323 CCCS(=O)(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)OCC
51324 Oc1ccc2ccccc2c1Br
51325 COc1cccc(NC(=O)c2cc(nc3c(Cl)cccc23)-c2cccnc2)c1
51326 Cc1cc(C)cc(c1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
51327 CCCCCC(=O)Nc1cccc2ccccc12
51328 COC(=O)c1ccccc1NC(=O)C(C)c1ccc(cc1)[N+]([O-])=O
51329 Cc1ccc(CNC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1
51330 O=C(NN1C(Nc2ccccc2C1=O)c1ccoc1)c1ccccc1
51331 COc1cccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)c1OC
51332 COc1ccc(C)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C
51333 CCOc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1
51334 Cc1ccc(c(OCCN(CC=C)CC=C)c1)[N+]([O-])=O
51335 COc1cc(C(=O)Nc2cccc(C)c2C)c(Br)c(OC)c1OC
51336 [O-][N+](=O)c1ccc(Sc2ccccc2C(=O)N2CCOCC2)c(Cl)c1
51337 Brc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1ccc2OCOc2c1
51338 CS(=O)(=O)Nc1cccc(c1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O |t:12|
51339 CCSC1=NCCN1C(=O)c1ccc(cc1)S(=O)(=O)N(CC)CC |t:3|
51340 CCSC1=NCCN1C(=O)c1ccc(cc1)S(=O)(=O)N(C)C |t:3|
51341 COc1cccc(NC(=O)N2CCCC2)c1
51342 CS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(Cl)s1
51343 COc1ccccc1NC(=O)Nc1ccc(F)c(F)c1
51344 O=C(NCc1cccs1)c1nc(no1)-c1cccs1
51345 CC(C)(CO)NCc1ccc(Br)cc1
51346 FC(F)(F)c1ccccc1NC(=S)NNC(=O)CC#N
51347 Fc1ccccc1-c1nnn(CC(=O)NCc2ccco2)n1
51348 CCOC(=O)C1CCN(CC1)c1ncnc2n(Cc3ccccc3Cl)nnc12
51349 COc1ccc(cc1)C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
51350 COCc1cc(C)nc2sc(C(=O)NCCO)c(-n3cccc3)c12
51351 O=C1OCC2=C1C(CC(=O)N2c1ccccc1)c1ccccc1 |c:4|
51352 Cc1ccc(cc1)-c1ccc(=O)n(CC(=O)NCc2ccc(F)cc2)n1
51353 O=C(NC1CCCC1)C1CCC(=O)N1C1CCCCC1
51354 CCOc1ccc(CNC(=O)CCS(=O)(=O)Cc2cccc(Cl)c2)cc1OC
51355 Cc1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1
51356 Cc1cccc(C(=O)NC(CC(O)=O)c2ccc(OC3CCCC3)cc2)c1[N+]([O-])=O
51357 NC(=S)NC(=O)\C=C\c1ccccc1
51358 O=C(C(NS(=O)(=O)c1ccc2NC(=O)CCc2c1)c1ccccc1)N1CCN(CC1)c1ccccn1
51359 COc1ccc(CCn2ccc(O)c(Cc3ccc(Cl)cc3Cl)c2=O)cc1OC
51360 Cc1nn(C)c(Cl)c1C(=O)NCC(=O)NCc1ccccc1
51361 Cc1ccc(N2CCN(CC2)C(=O)c2cc(c[nH]2)C(=O)c2ccccc2C)c(C)c1
51362 O=C(CCCN1C(=S)S\C(=C/c2cccs2)C1=O)NNC(=O)c1cccnc1
51363 Cc1nnc(SCC(=O)c2ccc(Cl)cc2)s1
51364 NC(=S)Nc1nccc(n1)-c1cccs1
51365 CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1
51366 COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CSc2cccc[n+]2[O-])c1C
51367 Brc1ccc(o1)C(=O)NCC1CCCO1
51368 COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1N
51369 CC(C)c1ccccc1NC(=S)N1CCN(Cc2ccc3OCOc3c2)CC1
51370 CC1CCCCC1NC(=S)Nc1ccc(Cl)cc1Cl
51371 CN1CCN(CC1)C(=O)C(=C\c1ccc(OC(F)F)cc1)\C#N
51389 NC(=O)NC(=O)COC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1
51395 CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)OCC(=O)N1CCCc2ccccc12
51396 O=C(CCC1CCCCC1)Nc1nnc[nH]1
51397 CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1
51398 Cc1ccc(SCC(=O)Nc2nnc[nH]2)cc1
51399 O=C(CC1CCCCC1)Nc1nnc[nH]1
51400 Cc1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1
51401 COc1cc(OC)c(cc1OC)C(=O)Nc1nnc[nH]1
51402 Brc1c(OCC(=O)Nc2nnc[nH]2)ccc2ccccc12
51403 O=C(CCCCCN1C(=O)CCC1=O)Nc1nnc[nH]1
51404 CC(Sc1ccc(C)cc1)C(=O)Nc1nnc[nH]1
51405 COc1ccc(OCCCC(=O)Nc2nnc[nH]2)cc1
51406 CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nnc[nH]1
51407 Clc1ccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2nnc[nH]2)cc1
51408 Clc1ccc(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc2nnc[nH]2)cc1
51409 O=C(Nc1nnc[nH]1)c1cccc(c1)S(=O)(=O)N1CCOCC1
51410 FC(F)(F)c1cccc(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc2nnc[nH]2)c1
51411 Clc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)Nc1nnc[nH]1
51412 CCc1ccc(OCC(=O)Nc2nnc[nH]2)cc1
51413 Cc1cc(ccc1[N+]([O-])=O)C(=O)Nc1nnc[nH]1
51414 Brc1ccc(OCC(=O)Nc2nnc[nH]2)cc1
51415 COc1ccc(OCC(=O)Nc2nnc[nH]2)cc1
51416 Clc1ccc(OCCCC(=O)Nc2nnc[nH]2)cc1
51417 O=C(Nc1nnc[nH]1)C=Cc1ccccc1 |w:9.10|
51418 COc1ccc(CCC(=O)Nc2nnc[nH]2)cc1
51419 Fc1cccc(c1)C(=O)Nc1nnc[nH]1
51420 COc1cc(OC)cc(c1)C(=O)Nc1nnc[nH]1
51421 Clc1ncccc1C(=O)Nc1nnc[nH]1
51422 Cc1cccc(C)c1OCC(=O)Nc1nnc[nH]1
51423 CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc[nH]1
51424 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1nnc[nH]1
51425 Nc1ncnn2c(cc(-c3ccc(CO)c(F)c3)c12)N1CCOCC1
51426 O=C(COc1ccc2ccccc2c1)Nc1nnc[nH]1
51427 CCOc1cc(cc(OCC)c1OCC)C(=O)Nc1nnc[nH]1
51428 Clc1ccc(C(=O)Nc2nnc[nH]2)c(Cl)c1
51429 Oc1ccccc1C(=O)Nc1nnc[nH]1
51430 O=C(COc1ccccc1)Nc1nnc[nH]1
51431 Cc1cccc(OCC(=O)Nc2nnc[nH]2)c1C
51432 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1nnc[nH]1
51433 Cc1c(cccc1[N+]([O-])=O)C(=O)Nc1nnc[nH]1
51434 CC1(CC1(Cl)Cl)C(=O)Nc1nnc[nH]1
51435 Clc1c(sc2ccccc12)C(=O)Nc1nnc[nH]1
51436 O=C(Nc1nnc[nH]1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
51437 Clc1ccc(CSc2nnc(NC(=O)c3ccc(cc3)C#N)[nH]2)cc1
51438 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2nc(SCc3ccc(Cl)cc3)n[nH]2)C1=O |c:5,TLB:9:8:2:5.6,THB:30:7:2:5.6|
51439 Cc1c(-c2ccc(cc2)C(=O)NCCN2CCOCC2)c(=O)oc2c(C=O)c(O)ccc12
51440 CC(CCc1ccc(OCCCc2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
51441 ClCC(=O)Nc1nnc[nH]1
51442 Cc1cc(OCC(=O)Nc2nnc[nH]2)cc(C)c1Cl
51443 COc1ccc(CC(=O)Nc2nnc[nH]2)cc1OC
51444 COc1ccccc1OCC(=O)Nc1nnc[nH]1
51445 Cc1ccccc1C(=O)Nc1nnc[nH]1
51446 COc1ccc(OC(C)C(=O)Nc2nnc[nH]2)cc1
51447 CC(C)c1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1
51448 CCOc1cc(ccc1O)-c1nc2c(C)cccn2c1NCC1CCCO1
51449 CN(C(=O)C1CCOC1)c1nnc(s1)-c1ccncc1
51450 Cc1cc(NCCCn2ccnc2)n2c(nc3ccccc23)c1C#N
51451 COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
51452 CC(C)OC(=O)CC(=O)CSc1nc2CCCCc2cc1C#N
51453 CN(C(=O)c1ccncc1)c1nnc(s1)-c1ccncc1
51454 CN(C(=O)c1cccnc1)c1nnc(s1)-c1ccccn1
51455 COCC(=O)N(C)c1nnc(s1)-c1ccccn1
51456 CN(C(=O)C1CCCO1)c1nnc(s1)-c1ccncc1
51457 COc1cccc(c1)-n1nnnc1SCC(=O)c1cc(OC)ccc1OC
51458 CN(C(=O)c1ccncc1)c1nnc(s1)-c1ccccn1
51459 CC(C)(C)NC(=O)CN(C1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN12 |c:24,26,t:22|
51460 CN(C(=O)c1cccc(c1)C#N)c1nnc(s1)-c1ccccn1
51461 COc1ccccc1-c1nnc(s1)N(C)C(=O)C1CCCO1
51462 COc1ccc(cc1)-c1cc(n2ncc(C(=O)NCC3CCCO3)c2n1)C(F)(F)F
51463 CN(C(=O)C1CCCO1)c1nnc(s1)-c1ccccn1
51464 CCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OCC)cc1NC(=O)c1ccco1
51465 CN(C(=O)c1ccno1)c1nnc(s1)-c1ccccn1
51466 CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
51467 COc1ccc2cc(CN(Cc3nnnn3Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1
51468 CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N
51469 COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C(C)C)c1=N
51470 Cc1cc(NCCCN2CCOCC2)n2c3ccccc3nc2c1C#N
51471 CN(C(=O)c1ccccn1)c1nnc(s1)-c1ccccn1
51472 Oc1ccccc1C=Nc1c(nc2ccccn12)-c1ccco1 |w:8.9|
51473 CC(C)OC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
51474 Cc1cc(ccc1N)-c1nc2ncccc2o1
51475 CCOC(=O)CC(=O)CSc1nc2CCCCCCc2cc1C#N
51476 CC(=O)c1ccc(o1)-c1nc2ccccc2n1C
51477 CC(=O)Oc1ccc2c(C)cc(=O)[nH]c2c1
51478 Cc1cc(C(=O)OCCO)c(C#N)c(N)n1
51479 CC1(C)Cc2nc(NCCCO)c(cc2CO1)C#N
51480 COC(=O)c1c2CCCc2nc(N)c1C#N
51481 CCOC(=O)c1c(N)n(CCCOC(=O)c2ccco2)c2nc3ccccc3nc12
51482 CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C |c:13,t:10|
51483 CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N
51484 COc1cc(=O)n(C)c2cc(ccc12)N(C)C
51485 COCC(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
51486 CN(C)CCNC(=O)c1coc(=O)c(Br)c1
51487 COC(=O)c1c(N)n(-c2ccc(NC(C)=O)cc2)c2nc3ccccc3nc12
51488 Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCOCC1
51489 CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc12
51490 CC(C)c1cc(NCCCN2CCOCC2)n2c3ccccc3nc2c1C#N
51491 CC1CN(CC(C)O1)c1oc(nc1C#N)-c1cccs1
51492 COCCCn1c2ncn(Cc3ccccc3Cl)c(=O)c2c2nc3ccccc3nc12
51493 Oc1ccc(O)n1-c1nc2nc(cc(-c3ccccc3)n2n1)-c1ccccc1
51494 CCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12
51495 Cc1cc(=O)oc2c(CN3CCCCC3)c(O)c(Cl)cc12
51496 COc1ccc(cc1)-c1oc2ncn3nc(COc4ccccc4)nc3c2c1-c1ccc(OC)cc1
51497 O=C(NCCN1CCOCC1)c1ccc(=O)oc1
51498 CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
51499 Cc1c(O)c(CN2CCCCC2)cc2c3CCCc3c(=O)oc12
51500 O=C(NCCN1CCCCC1)c1ccc(=O)oc1
51501 CC(=O)COc1ccc2c3CCCCCc3c(=O)oc2c1
51502 CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
51503 CCN(CC)Cc1c(O)ccc2c(C)c(CC(=O)OC)c(=O)oc12
51504 COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
51505 CSc1ccc(cc1)-c1c2CCCCc2nc(N)c1C#N
51506 O=S(=O)(N1CCOCC1)c1cccc(c1)-c1cn2cccnc2n1
51507 Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1Oc1ccccc1Br
51508 Nc1c(c2nc3ccccc3nc2n1CC1CCCO1)S(=O)(=O)c1cccs1
51509 CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccncc2)c1=N
51510 COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1
51511 CC(C)OCCCn1c2nc3ccc(C)cn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
51512 Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1
51513 COc1ccccc1-c1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O |(7.08,7.47,;7.08,5.93,;5.75,5.16,;4.41,5.93,;3.08,5.16,;3.08,3.62,;4.41,2.85,;5.75,3.62,;7.08,2.85,;7.08,1.31,;5.75,.54,;8.41,.54,;9.75,1.31,;11.13,.49,;11.11,-1.05,;12.43,-1.84,;12.41,-3.38,;13.74,-4.16,;15.08,-3.41,;16.41,-4.19,;16.39,-5.73,;17.71,-6.52,;15.1,-1.87,;13.77,-1.08,;12.52,1.28,;13.85,.51,;12.52,2.88,;11.13,3.68,;9.75,2.85,;8.41,3.62,;8.41,5.16,)|
51514 CCOC(=O)Nc1nnc(s1)-c1ccc(OC)c(OC)c1
51515 Cc1c(O)c(CN2CCCC2)cc2c3CCCCc3c(=O)oc12
51516 Cc1ccc2n(C)c3c(ncnc3c2c1)N1CCOCC1
51517 Nc1nc(cc(-c2ccco2)c1C#N)-c1ccccn1
51518 COc1cc2CCn3c(cc(OCCN4CCOCC4)nc3=O)-c2cc1OC
51519 COc1cc2CCn3c(cc(OCc4cccnc4)nc3=O)-c2cc1OC
51520 CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O
51521 Cc1ccc2nc3n(CC4CCCO4)c(=O)c(cc3c(=O)n2c1)C#N
51522 COC(=O)Cc1c(C)c2c(OCc3nnn[nH]3)cc(C)cc2oc1=O
51523 Oc1ccc2c3CCCc3c(=O)oc2c1CN1CCOCC1
51524 CN(C)CCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12
51525 COc1ccccc1-c1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O |(7.08,5.83,;7.08,4.29,;5.75,3.52,;4.41,4.29,;3.08,3.52,;3.08,1.98,;4.41,1.21,;5.75,1.98,;7.08,1.21,;7.08,-.33,;5.75,-1.1,;8.41,-1.1,;9.75,-.33,;11.13,-1.15,;11.11,-2.69,;12.43,-3.48,;12.41,-5.02,;13.74,-5.8,;15.08,-5.05,;16.41,-5.83,;15.1,-3.51,;13.77,-2.72,;12.52,-.36,;13.85,-1.13,;12.52,1.24,;11.13,2.04,;9.75,1.21,;8.41,1.98,;8.41,3.52,)|
51526 CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
51527 Cc1ccc(CN2CC(CC2=O)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
51528 CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
51529 CCOC(=O)c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCC2)n1
51530 COCCCn1cnc2oc3nc4ccccc4nc3c2c1=O
51531 CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)oc2c1
51532 CC(=O)Oc1cc2oc(=O)c3CCCc3c2cc1Cl
51533 FC(F)(F)c1cc(=O)[nH]c2nc(sc12)N1CCCCC1
51534 Cc1nn(-c2ccc(F)cc2)c2sc(cc12)C(=O)OC1CCOC1=O
51535 CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC
51536 c1c(nc2ncccn12)-c1ccccc1
51537 COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1
51538 CC1CN(CC(C)O1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
51539 CSc1ccc(C=Nn2nnnc2N)cc1 |w:7.7|
51540 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1
51541 Nc1ccc(cc1)-c1nc2ccc(N)c(Cl)c2[nH]1
51542 Brc1ccc(cc1)-c1cn2cccnc2n1
51543 CC(=O)Nc1c(OC(C)=O)ccc2c(C)cc(=O)oc12
51544 CC(=O)c1cc2cc(O)ccc2o1
51545 O=C(Nc1cccnc1)c1coc(=O)c2ccccc12
51546 OC(=O)c1ccccc1NCN1C(=O)C2CC=C(Cl)CC2C1=O |t:17|
51547 COCCN(CCOC)C(=O)c1cc2c(nc3ccccn3c2=O)s1
51548 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCN1CCN(CC1)c1ccccc1F
51549 Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1
51550 CC1CCCN(CCCNC(=O)c2coc3nc4ccccc4nc23)C1
51551 COC(=O)c1cc(=O)nc2sc(nn12)-c1cccs1
51552 Cn1c(cc2c1nc1ccccn1c2=O)C(=O)NCc1ccccn1
51553 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC1CCCO1
51554 CCOC(=O)CNc1c(nc2cnccn12)-c1ccc(F)cc1
51555 CCOCC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1
51556 Cn1c(cc2c1nc1ccccn1c2=O)C(=O)NCCCn1ccnc1
51557 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCC1
51558 Brc1ccc(o1)C(=O)Nc1cccc(c1)-c1cn2cccnc2n1
51559 Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)-c1nc2ccccc2o1
51560 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCCN1CCOCC1
51561 COCC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1
51562 COC(=O)c1ccc(cc1)-c1cc(C(O)=O)c2cc3OCCOc3cc2n1
51563 CC(=O)Nc1ccc(cc1)-c1cn2cccnc2n1
51564 Cn1c(cc2c1nc1ccccn1c2=O)C(=O)N1CCc2ccccc2C1
51565 COC(=O)C1C=NC=C(C1c1cccc(OC)c1)C(=O)OC |c:5,7|
51566 O=C(Nc1sc2CCCCCCc2c1C(=O)NC1CC1)c1ccco1
51567 COC(=O)CC(=O)CSc1nc2CCCCCc2cc1C#N
51568 Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
51569 CN(C)C(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
51570 COc1ccc2c3CCCCc3c(=O)oc2c1OCC(N)=O
51571 NC(=O)c1nn(nc1N)-c1ccccc1
51572 CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
51573 Oc1ccc2c3CCCCc3c(=O)oc2c1
51574 CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12
51575 CCc1c(C)c2ccc(O)c(CN(C)C)c2oc1=O
51576 N#Cc1nc(oc1NCCCN1CCOCC1)-c1cccs1
51577 CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(CC)c(=O)oc12
51578 O=C(CN1CCCC1)Nc1ccc(cc1)-c1nc2cc(NC(=O)CN3CCCC3)ccc2o1
51579 CN(C)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
51580 CC(C)n1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2cccnc2)c1=N
51581 CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
51582 CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12
51583 COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O
51584 CCOC(=O)c1sc2nc(N3CCCC3)c3COC(C)(C)Cc3c2c1N
51585 O=C(N1CCN(CC1)C(=O)c1cc2COc3ccccc3-c2s1)c1ccco1
51586 CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
51587 CCC(=O)Nc1c(OC(=O)CC)ccc2c(C)cc(=O)oc12
51588 CN1CCN(CCCNC(=O)c2ccc3SCCN(Cc4ccccc4)c3c2)CC1
51589 CN(C)CCNc1oc(nc1C#N)-c1ccccc1F
51590 COc1ccc(C)cc1NC(=O)c1cnc2scc(C)n2c1=O
51591 CC1=Nc2nc(NS(=O)(=O)c3ccc(C)cc3)nn2C(C1)c1ccccc1 |t:1|
51592 CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CC(C)(C)C2 |c:3,t:1|
51593 Cc1ccccc1-c1c(C)oc2cc(O)ccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;13.85,2.71,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
51594 C=CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc12
51595 Clc1cc2c3CCCCc3c(=O)oc2cc1OC(=O)c1ccco1
51596 CC(Oc1ccc2oc(c(C(O)=O)c2c1)-c1ccccc1)C(O)=O
51597 CC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c12
51598 CCc1cc2c(oc(C)c(Oc3ccccc3F)c2=O)c(CN(C)C)c1O
51599 CCn1c2ccccc2c2nnc(SCCCn3c4ccccc4[nH]c3=O)nc12
51600 Cn1c(C=Nn2cnnc2)nc2ccccc12 |w:4.4|
51601 Cc1c(CCC(O)=O)c(=O)oc2cc(O)ccc12
51602 CN1CCCc2cc(C#N)c(=O)[nH]c12
51603 Clc1cccc(NC(=O)Nc2ccccc2C#N)c1
51604 CC(C)n1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc12
51605 O=C(Oc1ccc2c3CCCCc3c(=O)oc2c1)c1ccco1
51606 CCn1c(C=Nn2cnnc2)nc2ccccc12 |w:5.5|
51607 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|
51608 OC(=O)c1cc2c(ccc3ccccc23)oc1=O
51609 CCOc1ccc(cc1)-c1cc(C(O)=O)c2ccccc2n1
51610 CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccco1)c2C(N)=O
51611 CCOC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
51612 CC(C)OC(=O)CC(=O)CSc1nc2CCCCCc2cc1C#N
51613 Nc1ccc2nc([nH]c2c1)-c1ccc(N)c(Cl)c1
51614 CCOc1cc(ccc1O)-c1cc(nc(N)c1C#N)-c1ccc(C)cc1
51615 CN(C)S(=O)(=O)c1ccc(cc1)-c1cn2ccccc2n1
51616 COc1cc2cc(CN(Cc3ccc4OCOc4c3)C(=O)c3ccco3)c(=O)[nH]c2cc1OC
51617 CCCc1cc(=O)n2c([nH]c3ccccc23)c1C#N
51618 Oc1ccc2c3CCCCc3c(=O)oc2c1CN1CCCCC1
51619 COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1
51620 CCOC(=O)c1cc2COC(C)(C)Cc2nc1N
51621 CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CCC2 |c:3,t:1|
51622 CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NC2CCCC2)c1=N
51623 COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NC2CCCCC2)c1=N
51624 CN(C(=O)c1ccc(cc1)C#N)c1nnc(s1)-c1ccccn1
51625 C=CCN(C(=O)COc1ccccc1)c1nnc(s1)-c1ccncc1
51626 Cc1cc(c(C#N)c(=O)[nH]1)C(F)(F)F
51627 CCOC(=O)c1cc2cc3ccccc3cc2[nH]1
51628 CCOC(=O)c1nn(-c2ccc(F)cc2)c2nc(CC(C)C)c(C#N)c(=O)n12
51629 CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2nc(CC)c(C#N)c(=O)n12
51630 Fc1ccc(cc1)C(=O)n1ccc(n1)-c1cnc(s1)-c1ccccc1
51631 CNC(=O)c1ccc(s1)-c1ccc(OC)cc1
51632 CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
51633 COC(=O)C(C=Nc1cccc2ccccc12)[N+]([O-])=O |w:6.6|
51634 CN(C)CCNC(=O)c1cc2COc3ccccc3-c2s1
51635 CCOC(=O)C1=C(CSc2nc(ccc2C#N)-c2ccccc2)OC(=N)C(C#N)C1c1cccnc1 |c:5|
51636 C=CCNc1oc(nc1C#N)-c1cccs1
51637 Clc1ccc(NC(=O)Nc2ccccc2C#N)cc1
51638 COc1ccc2oc(=O)c(cc2c1)C(=O)n1ccc(C)n1
51639 Clc1ccc(cc1)-c1cn2cccnc2n1
51640 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
51641 CCOc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1ccccc1C |c:13,t:10|
51642 CC(C)CN(CC(C)C)Cc1c(O)ccc2c(C)cc(=O)oc12
51643 CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C)CC4)n3)c(=O)oc12
51644 c1c(cn2ccccc12)-c1ccc2ccccc2c1
51645 COc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
51646 COc1ccc2cc3cc(oc3nc2c1)C(=O)NC(C)C
51647 CCOC(=O)CN1C=C(C(C[N+]([O-])=O)c2ccccc12)c1ccc2ccccc2n1 |c:7|
51648 CCN(CC)Cc1c(O)c(Cl)cc2c(C)c(C)c(=O)oc12
51649 CC(=O)Nc1ccc(NC(=O)c2sc3nc4CCCc4c(-c4ccc(C)cc4)c3c2N)cc1
51650 COc1ccc(cc1)-c1cc(n2nc(N)nc2n1)C(F)(F)F
51651 Cc1cc2c(C)c(C)c(=O)[nH]c2cc1N
51652 COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccccc3)cc2oc1=O
51653 CCOc1ccc(Nc2oc(nc2C#N)-c2cccc(Cl)c2)cc1
51654 COc1ccccc1-c1nc(C#N)c(o1)N1CCC(CC1)C(N)=O
51655 CCCn1c(nc2nc3ccccc3nc12)-c1cccs1
51656 COc1ccc(cc1OC)-c1nc(C#N)c(o1)N1CCC(CC1)C(N)=O
51657 CN(C)Cc1c(O)c(Cl)cc2c3CCCCc3c(=O)oc12
51658 CCCCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:28:27:18.19:12.11|
51659 CCOc1ccc(cc1OC)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:28:27:18.19:12.11|
51660 C=CCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:27:26:17.18:11.10|
51661 N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N |THB:0:1:8:14.12.13|
51662 CC(C)CN(CC(C)C)Cc1c(O)ccc2c3CCCc3c(=O)oc12
51663 COc1ccc2n(C)c3c(ncn(CCCN4CCOCC4)c3=O)c2c1
51664 COC(=O)Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O
51665 CCOC(=O)CC(=O)CSc1nc2CCCc2cc1C#N
51666 COc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |TLB:5:8:15.16:26.24,THB:25:24:15.16:9.8,14:15:9.8:26.24|
51667 CCCc1cc(N2CCN(CC2)C(=O)c2ccco2)n2c3ccccc3nc2c1C#N
51668 Cc1nc2n(N=Cc3ccccc3)c3nc4ccccc4nc3c2c(=O)n1CCC1=CCCCC1 |t:34|
51669 CN(C)Cc1c(O)ccc2c3CCCCCc3c(=O)oc12
51670 COCCn1c(N)c(C#N)c2nc3ccccc3nc12
51671 CCCc1cc(NCC2CCCO2)n2c3ccccc3nc2c1C#N
51672 COc1ccc(cc1)-c1cc(c(C#N)c(SCC(=O)Nc2nc(C)co2)n1)C(F)(F)F
51673 COC(=O)Cc1c(C)c2ccc(O)c(CN3CCCC(C)C3)c2oc1=O
51674 CCCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
51675 CC(C)OC(=O)CC(=O)CSc1nc2CCCCCCc2cc1C#N
51676 CN(C)C(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
51677 Cc1cc(=O)n2ccccc2c1C#N
51678 CCOc1ccccc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl |w:14.14|
51679 CC(C)CCn1c(C)cc(\C=C(/C#N)C(=O)OCC(=O)NC(=O)NCC=C)c1C
51680 COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)NCc1ccccc1
51681 CC(C)Cn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(cc1)C#N
51682 COc1ccc(cc1)-c1nc(C#N)c(o1)N1CCC(CC1)C(N)=O
51683 CC(C)c1ccc(C)cc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl |w:15.15|
51684 Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cnc2ccccc2c1 |w:14.16|
51685 COc1ccc(cc1)C(=O)NN=Cc1ccc2cccc(OCc3ccccc3)c2n1 |w:11.11|
51686 Oc1ccc2ccccc2c1CNc1cnc2ccccc2c1
51687 CCOC(=O)c1cc(C(=O)OCC)c(=O)n2ccccc12
51688 COc1ccc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1 |w:10.10|
51689 Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1cccc(c1)[N+]([O-])=O
51690 O=C(Nc1ccc(cc1)-c1nc2cc(NC(=O)c3cccs3)ccc2o1)c1cccs1
51691 Cc1nc2c3cc4COC(C)(C)Cc4nc3sc2c(=O)o1
51692 COc1ccc(cc1)C1Nc2c(sc3nc(C)c(C(C)=O)c(-c4ccc(Cl)cc4)c23)C(=O)N1
51693 CCOC(=O)c1ccc(cc1)-c1ccc(CO)o1
51694 CCCCn1c(=O)nc2n(-c3ccccc3)c3ccccc3cc2c1=O
51695 CCc1ccc(s1)-c1cc(n2nc(cc2n1)C(=O)Nc1cnn(Cc2ccccc2C)c1)C(F)(F)F
51696 [#7]-c1nc(-[#7]-[#6]-[#6]=[#6])sc1\[#6](=[#6](\C#N)C#N)-c1ccccc1
51697 COc1ccc(C=NNC(=O)Nc2cccc3nsnc23)c(OC)c1 |w:7.7|
51698 Nc1cccc(c1)-c1nc2cc(ccc2o1)S(=O)(=O)c1ccc2oc(nc2c1)-c1cccc(N)c1
51699 Cc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1
51700 COCc1cc(=O)[nH]c2cc(NC(=O)C(F)(F)F)c(C)cc12
51701 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
51702 COC(=O)c1cc(Cl)c(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1OC
51703 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:12|
51704 Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)Oc1ccc2c(cc(=O)oc2c1)C(F)(F)F)c1ccccc1
51705 CC(C)CCNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
51706 COc1cc(ccc1O)-c1nc2ccccn2c1N=Cc1ccccc1 |w:18.20|
51707 COC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12
51708 COc1cc(ccc1O)-c1nc2ccccn2c1N=Cc1cc(OC)c(OC)c(OC)c1 |w:18.20|
51709 [O-][N+](=O)c1cc(Cl)ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1
51710 CN(C(=NS(=O)(=O)c1cccs1)c1ccccc1)c1ccccc1 |w:3.3|
51711 [#6]\[#6](-[#6])=[#6](/[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#7]=[#6](-[#6])-c1ccccc1-[#8] |w:16.16|
51712 CCN(CC)c1ccc(C=NNC(=O)Cc2cccs2)c(O)c1 |w:10.10|
51713 OC(=O)c1ccc(cc1)-c1nc2ccccc2[nH]1
51714 Cc1ccc(cc1N=Cc1cc(Br)cc(Br)c1O)C(O)=O |w:7.7|
51715 CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
51716 Cc1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc2OCOc2c1
51717 CC(=O)Nc1sc(nc1-c1ccc(C)cc1)C(=C\c1ccc(Cl)c(Cl)c1)\C#N
51718 Fc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc2OCOc2c1
51719 COc1cccc(C=NNC(=O)c2cc3c(OC)cccc3[nH]2)c1O |w:8.8|
51720 O=C(Nc1nc2ccccc2s1)c1cc(nc2ccccc12)-c1ccco1
51721 CCOc1ncccc1C(=O)OCc1ccc(cc1)C(=O)OC
51722 O=c1cccc2-c3nc4ccccc4cc3Cn12
51723 CN(C)c1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
51724 OC(=O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
51725 Fc1ccc(cc1)C(=O)n1c(NCc2ccccc2)n[nH]c1=S
51726 COc1cccc(C=Cc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2)c1 |w:8.8|
51727 COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)C(=O)N(C)Cc1ccccc1)C(F)(F)F
51728 CN(C)c1ccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3ccc(cc3)N(C)C)c2C)cc1 |w:20.19,8.8|
51729 COC(CNC(=O)c1coc2nc3ccccc3nc12)OC
51730 CNC(=O)c1cc2CCc3ccccc3-c2s1
51731 COc1ccc(cc1)-c1ccnc2c(cnn12)C#N
51732 [#6]-[#8]-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](\Cl)Cl)cn1
51733 Cc1cc(C)c[n+](c1)-c1[n-]c(=O)sc1C=NNC(N)=S |w:15.17|
51734 CC(=O)Oc1ccc2ccc(=O)oc2c1
51735 CC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
51736 Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)ccc12
51737 CC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c1
51738 COc1ccc(cc1)-c1c\c(=N/CCC(O)=O)c2cc(C)ccc2o1
51739 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2OC)c(OC)c1
51740 COc1ccccc1-c1coc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
51741 CCC(C)\C=C(/C)\C=C\C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CO1 |c:11,25,t:9|
51742 COCCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)s\c1=C(\C#N)C(=O)NCCOC
51743 O=C(NNC(=O)c1cc(nc2ccccc12)-c1ccco1)c1ccccc1
51744 CCc1ccc(cc1)-c1cn2nc(cnc2n1)-c1ccccc1
51745 CC(=O)c1ccc(C=Cc2nc3ccccc3n2C)o1 |w:8.8|
51746 COc1cc(NC(=O)Nc2cccc(Cl)c2)c(cc1OC)C(O)=O
51747 CCOC(=O)CC(=O)CSc1nc(CC)c(C)cc1C#N
51748 Cc1cccn2c1nc1n(C3CCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
51749 COCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCc2ccccc2)c1=N
51750 COc1cc2[nH]c(=O)n(CCCC(=O)N3CCC(=CC3)c3ccccc3)c(=O)c2cc1OC |c:17|
51751 O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(CC1)c1ccccn1
51752 Cc1cc(NC(=O)CCOc2ccc(F)cc2)no1
51753 COC(=O)c1cc(O)c2cccc(OC)c2n1
51754 Cc1ccc(cc1)C1Nc2ccccc2C(=O)N1CCN1CCNC1=O
51755 Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc12
51756 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NN=Cc1cccs1 |w:15.16|
51757 Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O
51758 CN1CCCC1CCNc1ccc2c(c1)oc1cc(C)c(C)cc1c2=O
51759 COc1ccc(cc1)C#Cc1c(oc2ccc(cc12)-c1ccc(OC)cc1)-c1ccc(OC)cc1
51760 COc1ccc(cc1)C#Cc1c(oc2ccc(cc12)-c1ccc2OCOc2c1)-c1ccc(OC)cc1
51761 COc1ccc(cc1)C#Cc1c(oc2ccc(cc12)-c1cc(OC)c(OC)c(OC)c1)-c1ccsc1
51762 O.Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
51763 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
51764 COC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c(C#N)c1C
51765 CCC(=S)C=C1Sc2ccccc2N1CCCS([O-])(=O)=O |w:4.3|
51766 COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
51767 Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1
51768 Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|
51769 S=C(NCCCN1CCOCC1)NCCCN1CCOCC1
51770 Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12
51771 Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
51772 CN1CCN(CC1)C(=S)C(=O)Nc1ccc(Br)cc1
51773 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1C
51774 NC(=O)C1(CCN(CC1)C(=S)Nc1ccc(cc1)S(N)(=O)=O)N1CCCCC1
51775 CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OCc1ccc(Cl)cc1Cl |w:8.8|
51776 COC(=O)Nc1sc2CC(C)CCc2c1C(N)=O
51777 Cc1c(OCc2cc3OCOc3cc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
51778 OC(=O)C1CCC(CC1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl |(16.37,-1.33,;15.6,,;16.37,1.33,;14.06,,;13.29,-1.33,;11.75,-1.33,;10.98,,;11.75,1.33,;13.29,1.33,;9.44,,;8.54,1.24,;9.02,2.7,;7.08,.77,;7.08,-.77,;8.54,-1.24,;9.02,-2.7,;5.75,-1.54,;5.75,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,;3.08,1.54,;5.75,1.54,;5.75,3.08,)|
51779 Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)c(Br)c1O |w:7.7|
51780 OC(=O)c1cc(ccc1Cl)-c1ccc(C=c2sc3nc4ccc(Br)cc4n3c2=O)o1
51781 Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
51782 Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:14.15|
51783 OC(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc12
51784 Cc1c(CCC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
51785 COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:17.18|
51786 COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3o\c2=N/c2cccc(c2)C(O)=O)c(OC)c1
51787 OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
51788 Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12 |w:6.6|
51789 OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
51790 Oc1cc(O)cc(c1)C(=O)NN=Cc1cn(Cc2cccc(F)c2)c2ccccc12 |w:11.11|
51791 Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
51792 O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
51793 CC(=O)c1c(C)[nH]c(C(=O)NC2=NCCS2)c1C |t:11|
51794 Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
51795 COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
51796 CCN1\C(SC(=C1c1ccccc1)c1ccccc1)=C\C=C1/SC(=S)N(C)C1=O |c:5|
51797 CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1cccc(C)c1
51798 COc1ccc(Cn2cc3c(nnc3c3cc(OC)c(OC)cc23)-c2ccc(F)cc2)cc1
51799 Brc1ccc(cc1)N=CCC=CC=Nc1ccc(Br)cc1 |w:7.7,13.14,10.10|
51800 CNc1nc(cs1)-c1c[nH]c2ccccc12
51801 OCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1
51802 O=C1N(CCCn2ccnc2)C(=S)N\C1=C/c1ccc(cc1)C#N
51803 CC[n+]1c(\C=C\C=C\N(C(C)=O)c2ccccc2)sc2ccccc12
51804 CCOc1ccc(cc1)C1=C\C(=C\c2cccnc2)C(=O)O1 |t:10|
51805 COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
51806 COc1ccc(Cn2c(SCc3ccccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
51807 COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F
51808 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2Cl)cc1 |w:4.3|
51809 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6])cc3\[#6](=[#7]\[#7]-[#6](=O)-c3ccccn3)-c2c1
51810 COCc1c(C#N)c(NCCc2ccccc2)nc(C)c1[N+]([O-])=O
51811 Clc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
51812 CC(=O)Nc1ccc(OCC(O)Cn2c3ccccc3c3ccccc23)cc1
51813 COc1ccc(CSc2nnc(C)[nH]2)cc1[N+]([O-])=O
51814 CCCCOP(=O)(OCCCC)C(Nc1nnn(CCCC)n1)c1ccc(F)cc1
51815 Cc1ccc(cc1)-c1c[n+](CC(=O)Nc2nc(cs2)-c2ccc(F)cc2)c2CCCn12
51816 Cc1ccnc(NC(=O)C2(CCOCC2)c2cccs2)c1
51817 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCc2ccccn2)s1
51818 CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(Cl)cc2s1
51819 Cc1sc(NC(=O)c2ccccc2)c(C(N2CCN(CCO)CC2)c2ccccn2)c1C
51820 Oc1cc2ccccc2cc1C(=O)NNc1c2ccccc2nc2ccccc12
51821 C=CC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
51822 COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(C)c1
51823 CNC(=O)C(=O)Nc1c(C)cc(C)cc1C
51824 COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1
51825 Clc1ccc(Cn2cccc2CN(CCCN2CCCC2)C(=S)Nc2cccc(Cl)c2)cc1
51826 COc1ccc(-c2n[nH]cc2CN2CCCCCCC2)c(OC)c1
51827 Cc1nccn1CCCNCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1
51828 CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CCN(C)CC3)cc12
51829 FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
51830 CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1
51831 CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1
51832 N#CC(C#N)=c1ccc2=NC34CCCCC3C(C=C(N4c2c1)c1ccccc1)c1ccccc1 |c:18,t:8,(9.64,8,;8.87,6.67,;8.11,5.33,;6.57,5.32,;5.03,5.32,;8.88,4,;10.49,4,;11.28,2.6,;10.46,1.23,;10.93,-.24,;9.69,-1.14,;11.35,-1.27,;12.33,-2.87,;11.63,-4.33,;10.22,-4.27,;9.54,-2.74,;8.08,-3.41,;6.78,-2.46,;6.96,-.87,;8.44,-.24,;8.92,1.23,;8.09,2.6,;5.73,.05,;5.91,1.58,;4.67,2.5,;3.26,1.89,;3.08,.36,;4.32,-.56,;7.93,-4.94,;6.52,-5.57,;6.37,-7.1,;7.62,-8,;9.02,-7.37,;9.18,-5.84,)|
51833 COCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
51834 COc1ccc(NC(=O)N(CC2CCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
51835 CCN1\C(Sc2ccc(OC)cc12)=C\C(\CC)=C\c1sc2ccc(OC)cc2[n+]1CCCS([O-])(=O)=O
51836 CN1C(=S)S\C(=C\c2ccc(o2)-c2ccccc2)C1=O
51837 CN(C)c1ccc(NC(=O)CN2CCC(O)(CC2)c2ccccc2)cc1
51838 CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O
51839 CCCSc1ncnc2sc(C)c(C)c12
51840 CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
51841 CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|
51842 NC(=O)CSc1nnc(Cc2ccc3OCOc3c2)o1
51843 CCN1\C(Sc2cc(C)ccc12)=C\c1ccc2cc(C)cc(C)c2[n+]1CC
51844 CCOC(=O)N1CCN(CC1)c1c(N2CCN(CC2)c2ccccc2F)c(=O)c1=O
51845 Cc1ccc(CN2CCSc3ccc(cc23)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
51846 Clc1ccc(NC(=O)c2ccc3c(Cl)c4CCCc4nc3c2)nc1
51847 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN2CCN(C)CC2)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
51848 Cc1cc2ccccc2n1CCNC(=O)c1ccc(Br)o1
51849 COc1ccc(cc1)-n1nc2c(N)n[nH]c2cc1=O
51850 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1ccc(Br)cc1
51851 COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
51852 CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1 |c:14|
51853 COc1ccc(cc1CN1CCc2cc(OC)c(OC)cc2C1C)C1NCCc2c1[nH]c1ccccc21
51854 NC(=[NH2+])SCc1cn(nc1-c1ccc(Br)cc1)-c1ccccc1
51855 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
51856 CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1
51857 CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O
51858 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
51859 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
51860 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
51861 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
51862 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)CO
51863 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
51864 Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)C(C)CC
51865 [O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1 |w:8.8,c:18|
51866 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
51867 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO
51868 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
51869 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
51870 Cl.CCC(C)C(N)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)CC(C)C
51871 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
51872 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
51873 Cl.CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
51874 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
51875 CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|
51876 Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)n1
51877 CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
51878 CN1C(=C=Cc2cc(I)c(O)c(I)c2)C(C)(C)c2ccccc12 |(7.68,-1.39,;7.2,.08,;8.1,1.32,;9.64,1.32,;11.18,1.32,;11.95,-.02,;11.18,-1.35,;11.95,-2.69,;11.18,-4.02,;13.49,-2.69,;14.26,-4.02,;14.26,-1.35,;15.8,-1.35,;13.49,-.02,;7.2,2.55,;8.45,3.46,;6.73,4.02,;5.75,2.09,;4.41,2.86,;3.08,2.09,;3.08,.55,;4.41,-.22,;5.75,.55,)|
51879 COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1
51880 Cc1ccc(cc1\N=N\c1cc(C)c(N)cc1N)\N=N\c1cc(C)c(N)cc1N
51881 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|
51882 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
51883 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
51884 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cccc(OC)c1 |w:16.16|
51885 [O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|
51886 CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|
51887 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
51888 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
51889 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
51890 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1
51891 COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C
51892 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(c4N)-c4ccccc4)cc(OC)c3)cc2C(F)(F)F)CC1
51893 CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
51894 CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4OCOc4c3)c(OC)cc(OC)c12
51895 CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12
51896 CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3ccc(cc3)N(C)C)c(OC)cc(OC)c12
51897 CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12
51898 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)CC)n1cc(nn1)C(N)COC(=O)C(F)(F)F
51899 CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
51900 CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
51901 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
51902 COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|
51903 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
51904 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
51905 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
51906 COc1ccc(cc1)-c1csc(n1)N(CCCN(C)C)C(=O)c1ccccc1Cl
51907 COc1ccc2nc(C)cc(N=NCc3cccc(OC)c3O)c2c1 |w:11.10|
51908 COc1ccc(CN=Nc2cc(C)nc3ccc(Br)cc23)cc1 |w:8.8|
51909 CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
51910 Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)ccc2c1
51911 COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
51912 CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
51913 CCCN(CCC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
51914 CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
51915 CCCCN(CC)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1
51916 [#6]-[#6]-[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6]-[#6]-[#6])cc3\[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c2c1
51917 CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
51918 CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
51919 Cc1ccccc1OCC(O)CNC1CCC(CC1)NCC(O)COc1ccccc1C |(4.41,-6.16,;4.41,-7.7,;3.08,-8.47,;3.08,-10.01,;4.41,-10.78,;5.75,-10.01,;5.75,-8.47,;7.08,-7.7,;7.08,-6.16,;8.41,-5.39,;9.75,-6.16,;8.41,-3.85,;9.75,-3.08,;9.75,-1.54,;8.41,-.77,;8.41,.77,;9.75,1.54,;11.08,.77,;11.08,-.77,;9.75,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;12.42,6.16,;12.42,7.7,;13.75,8.47,;13.75,10.01,;15.08,10.78,;16.42,10.01,;16.42,8.47,;15.08,7.7,;15.08,6.16,)|
51920 CCc1cccc2c(c[nH]c12)-c1csc(NC(C)COC)n1
51921 CCN1\C(Sc2ccccc12)=C\C=C\C=C\C=C\c1sc2ccccc2[n+]1CC
51922 COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)c1cc(C)ccc1C
51923 Nc1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
51924 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(F)c1 |c:4,29|
51925 CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OCc3ccccc3)cc2)-c2ccccc2)cc1
51926 CCc1ccc(Nc2n[n+](c(s2)-c2cc(OC)c(OC)cc2Br)-c2ccccc2)cc1
51927 CCc1ccc(Nc2n[n+](c(s2)-c2ccc(OC)c(Br)c2)-c2ccccc2)cc1
51928 CC(C)n1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cn1
51929 CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
51930 [H]C12CC3([H])CC([H])(C1)CC(CCN[C@H](CN[C@H](CNC)CC1CCCCC1)Cc1ccccc1)(C2)C3 |TLB:5:3:35:6.9.8,THB:2:3:9:1.35.8,5:6:35:3.36.2|
51931 Fc1cccc(F)c1OCc1cc(no1)C(=O)N1C[C@H]2CC[C@H]1C2 |TLB:15:17:23:20.21|
51932 CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1
51933 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1
51934 Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1
51935 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4cccs4)cc(OC)c3)cc2C(F)(F)F)CC1
51936 CC(=NNC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
51937 NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,10.11|
51938 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(F)cc2s1
51939 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
51940 CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
51941 COc1cccc(c1)-n1c(CNC(=O)OC(C)(C)C)n[nH]c1=S
51942 CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
51943 COCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
51944 S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
51945 S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
51946 S=c1[nH]nc(-c2ccco2)n1-c1cccc2ccccc12 |(10.99,-1.19,;9.53,-1.67,;9.05,-3.14,;7.51,-3.14,;7.04,-1.67,;5.57,-1.19,;5.1,.27,;3.56,.27,;3.08,-1.19,;4.33,-2.1,;8.28,-.77,;8.28,.77,;6.95,1.54,;6.95,3.08,;8.28,3.85,;9.62,3.08,;10.99,3.91,;12.39,3.12,;12.39,1.51,;10.99,.72,;9.62,1.54,)|
51947 COc1ccc(cc1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cc(OC)ccc1OC
51948 Fc1ccc(cc1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1
51949 O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1ccccc1
51950 OC(=O)C1Sc2[nH]c(=O)sc2C2C1C(=O)Oc1ccc(Cl)cc21
51951 CCOC(=O)N=S(N)(=O)c1ccccc1
51952 CCOC(=O)c1[nH]c(C(O)=O)c(CCC(=O)OC)c1C
51953 COc1ccc(cc1)-c1cc(nc(n1)N1CCN(C)CC1)C(F)(F)F
51954 OC(=O)Cn1cccc1C(=O)c1ccccc1
51955 S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
51956 Cc1ccc(cc1)-c1n[nH]c(=S)n1-c1ccccc1
51957 CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
51958 CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
51959 CCCCn1c(n[nH]c1=S)-c1ccoc1C
51960 Cc1oc(cc1COc1cc(C)cc2oc(=O)c3CCCCc3c12)C(O)=O
51961 CCCCn1c(n[nH]c1=S)-c1nn(C)cc1Cl
51962 CCCCn1c(n[nH]c1=S)-c1nn(C)c(C)c1Cl
51963 CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
51964 O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3CCCc3c12
51965 CC(C)Cn1c(n[nH]c1=S)-c1ccco1
51966 S=c1[nH]nc(C2CC2)n1Cc1ccco1
51967 Cc1n[nH]c(=S)n1-c1cccc(C)c1C |(3.08,1.17,;4.54,1.64,;5.02,3.11,;6.56,3.11,;7.04,1.64,;8.5,1.17,;5.79,.74,;5.79,-.8,;7.12,-1.57,;7.12,-3.11,;5.79,-3.88,;4.46,-3.11,;3.12,-3.88,;4.46,-1.57,;3.12,-.8,)|
51968 Cc1nn(CCc2n[nH]c(=S)n2-c2cccc(Cl)c2)c(C)c1[N+]([O-])=O
51969 Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(C)cc1
51970 COc1cc(OC)c(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)cc1OC |w:9.9|
51971 Cn1c(n[nH]c1=S)-c1sccc1OCc1ccccc1
51972 [#8]-[#6](=O)-[#6](\[#7]-[#6](=O)-c1ccccc1)=[#6](/Cl)Cl
51973 OC(=O)CC\C(=C/c1cc(ccc1Cl)[N+]([O-])=O)c1nc2ccccc2s1
51974 CC1=C(N2C(SC1)C(NC(=O)c1nn(C)cc1[N+]([O-])=O)C2=O)C(O)=O |t:1|
51975 CC(C)Cc1cc([nH]c(=O)n1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cccc(C)n1
51976 CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccccc1 |w:3.3,16.18|
51977 O=C(C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccn1)c1cccs1
51978 [H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1cccnc1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
51979 CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1CCCN1CCOCC1
51980 CCCCn1c(n[nH]c1=S)-c1sccc1C
51981 CC(=O)c1ccc(cc1)-c1ccc(Cn2c(C)nc3cc(N)c(C)nc23)cc1
51982 CCCn1c(n[nH]c1=S)C(C)C
51983 CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
51984 COc1ccc(cc1OC)-c1n[nH]c(=S)n1-c1ccc2OCCOc2c1
51985 CC(=C)Cn1c(n[nH]c1=S)-c1cccs1
51986 [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C(F)(F)F
51987 O=C(CSc1nnc(NC(=O)C2CCCCC2)s1)NCc1ccco1
51988 CC(C)(C)c1ccc(COc2ccsc2C(O)=O)cc1
51989 Cn1c(n[nH]c1=S)-c1sccc1OCc1ccc(Cl)cc1Cl
51990 CCn1c(n[nH]c1=S)-c1nn(ccc1=O)-c1ccccc1
51991 OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2cccc(Br)c2)c1 |w:12.11|
51992 OC(=O)c1cccc(NC(=S)NN=Cc2ccccc2OCc2ccc(Br)cc2)c1 |w:12.11|
51993 CCc1n[nH]c(=S)n1N=Cc1ccc(NC(C)=O)cc1 |w:8.8|
51994 C=CCn1c(n[nH]c1=S)C1CC1
51995 S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
51996 CC1CCCCC1n1c(n[nH]c1=S)-c1cccnc1
51997 COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1
51998 CN(C)S(=O)(=O)c1cccc(NC(=S)NN=CC2CCC=CC2)c1 |w:15.14,c:20|
51999 S=c1[nH]nc(C2CC2)n1Cc1ccccc1
52000 Cc1cc(C(=O)OCC(=O)NC(=O)c2cccn2C)c2ccccc2n1
52001 Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
52002 S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccc2OCCOc2c1
52003 [O-][N+](=O)c1ccccc1C=C[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1F |w:10.11|
52004 [H]C12CCC([H])(C1)C(C2)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S |TLB:9:7:6:3.2|
52005 S=c1[nH]nc(Cn2c(nc3ccccc23)-c2ccccn2)n1-c1ccc2OCCOc2c1
52006 NC(=O)SCC(=O)Nc1ccccc1C(O)=O
52007 O[As](O)(=O)c1cc(ccc1-c1ccccc1)[N+]([O-])=O
52008 OC(=O)c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O
52009 OC(=O)c1[nH]c2ccc(Br)cc2c1CCN1C(=O)c2cccc(c2C1=O)[N+]([O-])=O
52010 COCC(C)NC(=O)c1cc2cccc([N+]([O-])=O)c2[nH]1
52011 S=c1[nH]nc(-c2cccs2)n1C1CCCCC1
52012 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1nccnc1C(O)=O
52013 CC(C=Nn1c(C)n[nH]c1=S)=Cc1ccccc1 |w:3.3,11.12|
52014 CCc1n[nH]c(=S)n1N=CC(C)=Cc1ccccc1 |w:8.8,12.13|
52015 Cc1n[nH]c(C)c1CCCCOc1ccc(cc1)[N+]([O-])=O
52016 Clc1ccc(CNc2c(C=O)c(=O)[nH]c3ccccc23)cc1
52017 Oc1c(Br)cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1Br |w:7.7|
52018 CSC[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
52019 COc1ccccc1-n1c(n[nH]c1=S)-c1ccco1 |(3.08,-1.57,;4.41,-.8,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;8.33,1.64,;7.85,3.11,;6.31,3.11,;5.84,1.64,;4.37,1.17,;9.79,1.17,;10.27,-.3,;11.81,-.3,;12.28,1.17,;11.04,2.07,)|
52020 C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
52021 CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](C)C(O)=O)c12
52022 OC(=O)c1c2CSCn2c(c1C(O)=O)-c1ccc(Br)cc1
52023 Cc1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
52024 OC(=O)COc1ccccc1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:12.13|
52025 COc1ccc2[nH]c(C(O)=O)c(CCN3C(=O)c4ccc(cc4C3=O)C(O)=O)c2c1
52026 OC(=O)c1ccccc1C(=O)c1cccc2ccccc12
52027 Fc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1
52028 Fc1cccc(F)c1C(=O)Nc1nnc(SCC(=O)NCc2ccccc2)s1
52029 OC(=O)\C=C\c1nnc2c3ccccc3cnn12
52030 Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCCCN1CCOCC1
52031 O=C(N1CCC(CC1)N1CCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
52032 COc1ccc(OC)c(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1cccnc1
52033 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c12
52034 CCc1cc(=O)oc2c(C)c(OCC(=O)N3CCC[C@@H]3C(O)=O)ccc12
52035 Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
52036 Cc1cc(OCC(=O)N2CCC[C@@H]2C(O)=O)c2c(C)c(C)c(=O)oc2c1
52037 CCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
52038 Cc1c(C)c(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
52039 Fc1ccccc1\C=C1/SC(=S)N(CCC(=O)NCCCn2ccnc2)C1=O
52040 Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)c1ccco1 |t:8|
52041 Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c3CCCc3c(=O)oc12
52042 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
52043 CCCCc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N3CCC[C@H]3C(O)=O)c12
52044 Fc1ccc(CNC(=O)CSc2nnc(NC(=O)c3ccccc3F)s2)cc1
52045 O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCc1ccco1
52046 Clc1ccccc1CNC(=O)CSc1nnc(NC(=O)C2CC2)s1
52047 Cc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
52048 Fc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
52049 [O-][N+](=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
52050 Clc1ccc(Br)cc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
52051 Cc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
52052 COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
52053 Oc1ccccc1N=C1C(Cl)C(=O)N(C1=O)c1ccccc1 |w:7.7|
52054 CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O
52055 CCC(Oc1ccccc1)C(=O)Nc1ccccn1
52056 O=C(Nc1ccccc1)NC1(CCCCC1)C(=O)NCc1ccc2OCOc2c1
52057 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12
52058 Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
52059 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(OC)cc1)c1cccn1C
52060 C(Cc1nc2ccccc2o1)c1nc2ccccc2o1
52061 CC1=CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)OC1=C3C(=O)CCC1 |c:27,t:1,23|
52062 Cc1cc(NC(=O)c2sc3nc(C)cc(c3c2N)C(F)(F)F)no1
52063 CCC(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1
52064 CN(C)c1ccc(cc1)-c1nnc(o1)-c1ccc(cc1)S(=O)(=O)C(F)F
52065 CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccco3)cc12
52066 OC(=O)c1ccc(cc1O)-n1cccc1
52067 COc1ccc(C2C(C#N)C(=N)OC3=C2C(=O)CCC3)c(OC)c1OC |c:13|
52068 CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3OCOc3c2)cc1
52069 Fc1ccc2n(nnc2c1)C1CCN(CC1)C(=O)N1CCOCC1
52070 Cc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1
52071 COc1cc(ccc1OC(C)C)C1C2CN(C)CCC2=C(C#N)C(=N)C1(C#N)C#N |t:21|
52072 Cc1c(CN2CCCCC2)c(O)n(CCCO)c(=O)c1C#N
52073 CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cc(OC)ccc1OC |c:6|
52074 COc1cccc(c1)C(=O)NCC1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
52075 Cc1cccc(c1)-c1c2c(n(C)c(=O)n(C)c2=O)c2cccnn12
52076 COc1cccc(=O)c2c(C)oc(C)c12
52077 N=C1C(C#N)C(C#N)(C#N)C2CCCC(N3CCCCC3)=C12 |t:21|
52078 CC(=O)c1c(C)n(c(C)c1C(C)=O)-c1ccc(cc1)C(O)=O
52079 Nc1ccc2NS(=O)(=O)c3ccccc3-c2c1
52080 N=C1C(C#N)=C2CCOCC2C(c2cccnc2)C1(C#N)C#N |t:4|
52081 Oc1c(C=Nc2ccccn2)c(=O)[nH]c(=O)n1-c1cccc(Cl)c1 |w:4.4|
52082 CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O
52083 CCC(NC(C)C)C(O)c1ccc(O)c(O)c1
52084 Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c2CC(C)(C)OCc12
52085 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccncc1 |c:4|
52086 COc1ccc(cc1)N=CCC(=O)C1C(=O)CC(C)(C)CC1=O |w:8.8|
52087 Cc1ccc(cc1)N=CCC(=O)C1C(=O)CC(C)(C)CC1=O |w:7.7|
52088 CC1(C)Cc2nc3[nH]c(=S)n(CC=C)c(=O)c3cc2CO1
52089 COc1ccc(cc1)P1(=O)Nc2ccccc2N1
52090 COc1[nH]c(N=Cc2ccccc2)c(C#N)c1C#N |w:5.4|
52091 CC(C)c1cc(Nc2csc(=O)[nH]2)c(C)cc1O
52092 Brc1cc(coc1=O)C(=O)N1CCCc2ccccc12
52093 CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
52094 CC(C)OC(=O)c1nn2c(cc(nc2c1Br)-c1ccc(Br)o1)C(F)(F)F
52095 CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2cc(OC)ccc2OC)c(=O)[nH]c1=O |w:11.11,(4.41,8.09,;5.75,7.32,;5.75,5.78,;4.41,5.01,;3.08,5.78,;7.08,5.01,;7.08,3.47,;8.41,2.7,;9.75,3.47,;9.75,5.01,;8.41,5.78,;11.08,2.7,;11.08,1.16,;12.42,.39,;12.42,-1.16,;11.08,-1.93,;13.75,-1.93,;13.75,-3.47,;15.08,-4.24,;15.08,-5.78,;16.42,-6.55,;16.42,-8.09,;13.75,-6.55,;12.42,-5.78,;12.42,-4.24,;11.08,-3.47,;9.75,-4.24,;15.08,-1.16,;16.42,-1.93,;15.08,.39,;13.75,1.16,;13.75,2.7,)|
52096 Fc1ccc(CCN2C(=O)NC(=O)C(=CNCCCn3ccnc3)C2=O)cc1 |w:14.14|
52097 O=C1NC(=O)C(=CNCCCn2ccnc2)C(=O)N1CCc1ccccc1 |w:6.6|
52098 CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
52099 COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
52100 CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.9|
52101 Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(=O)n(-c2ccccc2)n1C |w:4.3|
52102 CCCCCCN1C(=O)NC(=O)C(=CNCCCn2ccnc2)C1=O |w:13.13|
52103 CCOc1ccccc1-n1c(O)c(C=Nc2ccc(cc2)N(CC)CC)c(=O)[nH]c1=O |w:14.15,(8.41,-4.24,;9.75,-5.01,;11.08,-4.24,;12.42,-5.01,;12.42,-6.55,;13.75,-7.32,;15.08,-6.55,;15.08,-5.01,;13.75,-4.24,;13.75,-2.7,;12.42,-1.93,;11.08,-2.7,;12.42,-.39,;11.08,.39,;11.08,1.93,;9.75,2.7,;9.75,4.24,;8.41,5.01,;7.08,4.24,;7.08,2.7,;8.41,1.93,;5.75,5.01,;4.41,4.24,;3.08,5.01,;5.75,6.55,;4.41,7.32,;13.75,.39,;13.75,1.93,;15.08,-.39,;15.08,-1.93,;16.42,-2.7,)|
52104 [O-][n+]1c(-c2cc3ccccc3o2)c(=O)n(OCC=C)c2ccccc12
52105 Nc1c(C#N)c(C#N)c(-c2ccccc2)n1-c1ccc(cc1)C(O)=O
52106 N=C1C(C#N)=C2CCOC[C@@H]2[C@@H](c2ccsc2)C1(C#N)C#N |t:4|
52107 Oc1c(CC=C)cccc1C=Nn1cnnc1 |w:11.12|
52108 CCOC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H]([C@H]2C1)c1ccsc1 |c:8|
52109 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccccn1
52110 CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
52111 CCCSc1nnc(NC(=O)Nc2ccccc2)s1
52112 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C21C(=O)N(CN2CCOCC2)c2ccccc12 |c:6|
52113 CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1
52114 CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2ccc(C)cc2)c1=N
52115 CCOC(=O)N1CCN(CC1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1
52116 NC(=O)CN1C(=O)[C@@]2(C(C#N)C(=N)OC3=C2C(=O)CCC3)c2ccccc12 |c:14|
52117 CCN(CC)CCNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:8.7|
52118 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)[C@@]21C(=O)N(CC(N)=O)c2ccccc12 |c:6|
52119 CC(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
52120 CCOC(C)=Nn1c2nc(C)n(C3CCCC3)c(=O)c2c2nc3ccccc3nc12
52121 CCOC(=O)N1CCN(CC1)\C=C(/C#N)c1nc2ccccc2s1
52122 CCC(=NCCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O |w:3.3|
52123 N#C\C(=C/N1CCN(Cc2ccc3OCOc3c2)CC1)c1nc2ccccc2s1
52124 CCc1cc(=O)oc2cc(C)cc(OC(C)C(O)=O)c12
52125 Cc1cccc(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
52126 COc1ccc(cc1OC)C1C(C#N)=C(OC2=C1C(=O)CC(C)(C)C2)N=CN1CCN(C)CC1 |w:25.27,c:14,17|
52127 COC(=O)[C@H](CCSC)NC(=O)NC1CCN(Cc2ccccc2)CC1
52128 COc1ccc(cc1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCC(C)CC1
52129 CCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(F)cc1
52130 COc1ccc(cc1)C1C(C#N)=C(OC2=C1C(=O)CC(C)(C)C2)N=CN1CCN(C)CC1 |w:23.25,c:12,15|
52131 CC1(C)CC(=O)C2=C(C1)OC(N=CN1CCOCC1)=C(C#N)C2c1ccccc1 |w:11.11,c:6,t:20|
52132 CC(=O)N1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 |w:14.14|
52133 O=C1NC(=O)C(=CNc2ccc(CN3CCOCC3)cc2)C(=O)N1Cc1ccccc1 |w:6.6|
52134 CC1=CC(C)(C)N2C(=O)C3(c4cccc1c24)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:25,t:1,21|
52135 Cc1nn2c(N3CCOCC3)c3CCCCc3nc2c1-c1ccccc1
52136 CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)c(C)c1
52137 Cc1cc(C)c2c(n1)n(Cc1ccccc1)c(=O)[nH]c2=O
52138 CCOC(=O)c1cc(=O)n2nc(nc2s1)-c1ccc(C)cc1
52139 O=C(COC(=O)c1ccc2ncsc2c1)c1ccco1
52140 C=CCn1c(=O)c(=Cc2ccsc2)s\c1=C(/C#N)C(=O)NCCN1CCOCC1
52141 CC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
52142 Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)c(c1)S(=O)(=O)N1CCOCC1
52143 O=C(NCc1ccccc1)C(C#N)c1nc2ccccc2nc1N1CCCC1
52144 CC(=N)C(C#N)C(=O)CSc1ncnc2ccccc12
52145 CCOC(=O)c1cc(cc(c1)-n1c(C)cc(C(=O)CN2CCOCC2)c1C)C(=O)OCC
52146 Cc1cccc(Nc2nc(O)cs2)c1
52147 Nc1nc(SCc2ccccc2)c(C#N)c(-c2ccco2)c1C#N
52148 Cc1ccc(C=c2s\c(=C(/C#N)C(=O)c3ccccc3)n(CC=C)c2=O)o1
52149 CCOC(=O)c1cc(=O)n2nc(nc2s1)-c1ccccc1F
52150 O=c1[nH]n(-c2ncnc3n(ncc23)-c2ccccc2)c(=O)c2ccccc12
52151 Cc1cc(ccn1)N=Cc1c(O)n(-c2ccc3OCOc3c2)c(=O)c2ccccc12 |w:7.7|
52152 O=C1CCCC1=c1sc(=Cc2cccnc2)c(=O)n1-c1ccccc1 |w:5.4,9.10|
52153 Cc1ccc(cc1)C1C2C(Sc3[nH]c(=O)sc13)C(=O)NC2=O
52154 COC(=O)c1cc(cc(c1)-n1c(C)cc(C(=O)CC#N)c1C)C(=O)OC
52155 Cc1onc(c1C(=O)N1CCCc2ccccc12)-c1c(F)cccc1Cl |(3.79,2.37,;4.11,.87,;3.08,-.28,;3.85,-1.61,;5.36,-1.29,;5.52,.24,;6.85,1.01,;8.18,.24,;6.85,2.55,;5.52,3.32,;5.52,4.86,;6.85,5.63,;8.18,4.86,;9.56,5.68,;10.96,4.89,;10.96,3.29,;9.56,2.5,;8.18,3.32,;5.83,-2.76,;4.8,-3.9,;3.3,-3.58,;5.28,-5.36,;6.78,-5.68,;7.81,-4.54,;7.34,-3.08,;8.37,-1.93,)|
52156 CCCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OCC |c:9|
52157 OC(C#Cc1ccccn1)c1cccs1
52158 Nc1nnc(s1)C(=O)c1ccccc1N
52159 CCn1c(C)cc(=S)c2ccccc12
52160 Fc1ccc(CS(=O)(=O)Cc2ccc(o2)C(=O)NCC2CCCO2)cc1
52161 N=C1OC2=C(C(C1C#N)c1ccc(OC(=O)N3CCOCC3)cc1)C(=O)CCC2 |c:3|
52162 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1cccc(OC(=O)c2ccco2)c1 |c:6|
52163 CCOC(=O)N1CCC(CC1)NC(=O)C(Cc1ccccc1)NC(=O)C1CCCCC1
52164 CCn1nc(C)c(C=C2CCCC3=C2OC(=N)C(C#N)C3c2c(C)nn(CC)c2C)c1C |c:12|
52165 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)Nc1cccc(C)n1
52166 COc1cccc(C2C(C#N)C(=N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1 |c:14|
52167 COc1cccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C3)c2ccco2)c1OCc1ccc(F)cc1 |c:14|
52168 NC1=CC(=O)c2cccc3cccc1c23 |t:1|
52169 CCN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1OC)c2=O
52170 Cc1ccc(C)n1-c1ccc2C(=O)OCc2c1
52171 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccccc1OC(=O)N1CCOCC1 |c:6|
52172 CCN(CC)c1nc(nc(n1)-c1nnn[nH]1)N(CC)CC
52173 COc1cc(ccc1OC(=O)N1CCOCC1)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:26|
52174 Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
52175 CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N2CCCc3cccc1c23 |c:6,t:12|
52176 C=CCn1c(Cc2nc3ccccc3[nH]2)n[nH]c1=S
52177 Clc1ccccc1NC(=O)COC(=O)CCc1c[nH]c(=O)[nH]1
52178 Cc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)N1CCCC1
52179 CC(C)C1Nc2ccc(cc2C2C=CCC12)S(N)(=O)=O |c:13|
52180 Brc1ccc(NC(=O)c2ccc3nccnc3c2)nc1
52181 ClC1=CCC2C(C1)C(=O)N(CCc1ccccc1)C2=O |t:1|
52182 CC(=O)Nc1ccc(cc1)N=CCC(=O)c1ccc(C)o1 |w:10.10|
52183 COc1ccc(OC)c(c1)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
52184 ClC1=CCC2C(C1)C(=O)N(CCC(=O)N1CCCCC1)C2=O |t:1|
52185 O=C(Cc1ccccc1)Nc1ccc(cc1N1CCOCC1)N1CCOCC1
52186 CC(C)n1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2ccco2)c1=N
52187 COc1cccc(CN2C(=O)C3(C(C#N)C(=N)OC4=C3C(=O)CCC4)c3ccccc23)c1 |c:18|
52188 OCCOc1ccc(cc1)C1=NCCO1 |t:11|
52189 CCOc1cc(cc(Br)c1O)C1C(C#N)C(=N)OC(C)=C1C(C)=O |c:20|
52190 OC(=O)CCc1ccc(-c2cccs2)n1-c1ccc(cc1)C(O)=O
52191 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1cc2ccccn2n1
52192 Fc1cccc(CSC2=NCCN2C(=O)c2ccc(Br)o2)c1 |t:8|
52193 Cc1nc2ccccc2c2oc(cc12)C(=O)Nc1ccc2OCCOc2c1
52194 Cc1noc(C)c1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
52195 CCCSc1nnc2nc3n(C)c4ccccc4c3nn12
52196 CC1CCc2nn(CC(=O)NCCN3CCCCC3C)cc2C1
52197 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCC(CC1)C(O)=O
52198 COc1ccc(Nc2ncnc3nc[nH]c23)cc1OC
52199 COc1cc(OC)c(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)C2 |c:20|
52200 ClC1=CCC2C(C1)C(=O)N(CC(=O)NCc1ccccc1)C2=O |t:1|
52201 Cc1cc(C=Nn2cnnc2)c(C)n1-c1cccc(c1)C(O)=O |w:5.5|
52202 COc1ccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC |c:13|
52203 CCN(C1CCCCC1)C(=O)c1cc(Cl)ccc1OC
52204 O=C(CC1Nc2ccccc2NC1=O)c1ccccc1
52205 O=C(\C=C\N1CCOCC1)c1ccc(cc1)-c1ccccc1
52206 COc1ccc(C2C(C#N)C(=N)OC3=C2C(=O)CC(C)C3)c(OC)c1OC |c:13|
52207 CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(=O)[nH]c1=O |w:14.15|
52208 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#8]-1)=[#6]-1\[#7]=[#6](-[#8]-[#6]-1=O)-c1ccccc1 |c:10,t:1,4|
52209 N=C1OC2=C(C(C1C#N)c1ccccc1)C(=O)CCC2 |c:3|
52210 Nc1c(oc2ccccc12)C(=O)c1ccc(Br)s1
52211 O=C1N(C(=O)C2=C1SCCS2)c1ccccc1 |c:5|
52212 COc1cc(OC)c(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:20|
52213 Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(cc1)C(O)=O |w:5.5|
52214 Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3sc(N)nc3C)cc2)no1
52215 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc(OC(=O)N2CCOCC2)cc1 |c:6|
52216 COC(=O)c1ccc(cc1)-n1c(C)cc(C=Nn2cnnc2)c1C |w:16.17|
52217 COc1ccc2N(C)\C(Sc2c1)=C\C(=O)c1ccncc1
52218 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccccc1 |c:6|
52219 COC(=O)c1c(C)n2Cc3ccccc3Cc2c1C(=O)OC
52220 N=C(CC#N)C(C#N)C#N
52221 CCOC(=O)CSc1nc2ccc(Nc3nc(nc(n3)N3CCOCC3)N3CCOCC3)cc2s1
52222 CC\C(=C/C=C[C@@H]1C=C[C@@H]2CCC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H](CC[C@@H]1C)[C@@H](C)C([O-])=O |w:4.3,c:7|
52223 COc1ccccc1C1C(C(C)=O)=C(C)N=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n12 |w:19.20,t:13,16|
52224 Cc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)ccc(C)c2[nH]c1=O
52225 Clc1ccc2oc(nc2c1)C(C=O)C=Nc1ccccn1 |w:14.16|
52226 Clc1cccc(Cl)c1CSCC(=O)NCC1CCCO1
52227 CCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
52228 COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
52229 [O-][N+](=O)c1cccc(c1)C(=O)NNC(=O)c1cnccn1
52230 O=CC(C=Nc1ccccn1)c1nc2ccccc2o1 |w:4.4|
52231 [O-][N+](=O)c1ccccc1C(=O)NNC(=O)c1cnccn1
52232 O=C(NC(=S)NNC(=O)c1ccco1)\C=C\c1ccco1
52233 O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2o1
52234 CCN1CC2C(c3ccccc3C(F)(F)F)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:26,29|
52235 Cc1ccc(cc1)S(=O)(=O)CCSc1nc(C)cc(c1C#N)C(F)(F)F
52236 CC(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccncc1 |c:11|
52237 Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
52238 CC1CC(C)(C)N2C(=O)C3(c4cc(C)cc1c24)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:26,t:22|
52239 COc1ccc(\C=C\c2nc3sc4CCCc4c3c(=O)o2)cc1
52240 CCCC(C)NC(=O)c1ccc(cc1)C1SCC(=O)N1Cc1ccco1
52241 Fc1ccc2n(nnc2c1)C1CCN(CC(=O)NCCc2ccccc2)CC1
52242 CN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCCCCC2)C1=O
52243 CCOC(=O)C1C(=O)C(S\C1=N/c1ccccc1)=Cc1cn(CC(=O)N2CCCC2)c2ccccc12 |w:18.20|
52244 [O-]c1c(Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)c2ccc(n[n+]12)-c1ccccc1
52245 CCCCOc1c(Br)cc(CN=O)cc1OCC
52246 COC(=O)c1sccc1NC(=O)c1ccc(C)s1
52247 COc1cc(ccc1OC(C)C)C1NC(=S)N=C(C)C1C(=O)OC(C)C |t:17|
52248 CC(CCc1oc2ccc(Cl)cc2c1-c1ccc(C)o1)N=O
52249 CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 |w:10.9|
52250 Cc1c(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C |w:4.3|
52251 Oc1c(C=NCCN2CCCCC2)c(=O)[nH]c(=O)n1-c1ccc(Cl)cc1 |w:4.4|
52252 Cc1ccc(cc1)S(=O)(=O)NNc1nc2ccccc2nc1C(F)(F)F
52253 CC1=CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:27,t:1,23|
52254 COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc1 |w:6.5|
52255 CCOC(=O)C(=O)NCc1ccc(C=c2c(O)c(C(=O)OC)c(=C)n2-c2ccccc2)o1
52256 CCN1C(C)=C(C(=O)OC)\C(=C\c2cccs2)C1=O |t:4|
52257 Clc1cc(Cl)cc(NC(=O)CC2Nc3ccccc3NC2=O)c1
52258 NC1=C(C#N)C2(C(=O)N3CCCc4cccc2c34)C2=C(CCCC2=O)O1 |c:1,t:21|
52259 COc1cccc(c1)-n1c(O)c(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=O |w:13.14|
52260 O=C1N(CCCc2nc(no2)-c2ccncc2)C(=O)c2ccccc12
52261 Oc1oc(\C=C\c2cccc(c2)[N+]([O-])=O)nc1\C=N\c1ccccc1
52262 Oc1ccc(NCc2n[nH]c(=O)c3ccccc23)cc1
52263 Clc1cccc(CSc2nc3ccncc3[nH]2)c1
52264 COc1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1
52265 COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)cc3Cl)c2cc1OC |t:7|
52266 CCOC(=O)c1ccc(NC=C2CCCCC2=O)cc1 |w:10.9|
52267 CCOC(=O)C1=C(C)OC(=N)C(C#N)C1c1ccc(O)c(OC)c1 |c:5|
52268 CC1CC(C)(C)N2C(=O)C3(c4c2c1cc(C)c4C)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:27,t:23|
52269 CCOc1ccc(cc1)N=C(C(=C(Cl)C(Cl)Cl)[N+]([O-])=O)n1cncn1 |w:12.13,9.9|
52270 CCN1C(=S)O\C(C1=O)=C1/C=Cc2ccccc2N1C |c:11|
52271 COc1cc2n(Cc3ccc(C)cc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
52272 Cc1ccc(cc1C)-n1c2nc3ccccn3c(=O)c2cc(C#N)c1=O
52273 NC(=O)c1ccccc1N=CCC(=O)c1ccc(F)cc1 |w:9.9|
52274 Fc1cccc(Cl)c1COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccco1 |c:25|
52275 CCOC(=O)C(=O)NCc1ccc(C=c2c(O)c(C(=O)OC)c(=C)n2-c2ccc(F)cc2)o1
52276 CN(C(=O)c1coc(=O)c2ccccc12)c1cc(C)ccc1C
52278 COc1ccc(cc1)N=C(C(=C(Cl)C(Cl)Cl)[N+]([O-])=O)n1nnc2ccccc12 |w:11.12,8.8|
52279 COc1cc(\C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1F |c:10|
52280 CCOC(CNC(=O)CCc1c(C)nc2nc(C)nn2c1C)OCC
52281 CCN(CC)c1ccc(cc1)N=Cc1ccc(cc1O)N(CC)CC |w:11.11|
52282 CCOc1cc(\C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1F |c:11|
52283 Cc1ccc(C)n1-c1ccc(cc1)C(O)=O
52284 CCN(CC)CCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:8.7|
52285 CC1=CC(C)(C)N2C(=O)C3(c4cc(C)cc1c24)C(C#N)=C(N)OC1=C3C(=O)CC(C)(C)C1 |c:26,t:1,22|
52286 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(o2)-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1=O
52287 OC(=O)c1ccc(cc1)-n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccco1
52288 COc1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)c1cnccn1
52289 COc1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2OC)c(OC)c1
52290 COc1ccc(cc1OC)C1C(C#N)=C(OC2=C1C(=O)CC(C)(C)C2)N=CN1CCOCC1 |w:25.27,c:14,17|
52291 CC1CCCN(C1)c1nc2ccccc2nc1C(C#N)S(=O)(=O)c1cccs1
52292 OC(=O)CCC(=O)N1N=C(CC1c1cn(nc1-c1ccccc1)-c1ccccc1)c1cccs1 |c:8|
52293 COc1ccc(cc1OC)C(=O)NC1(C(=O)N(Cc2ccco2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F |c:25|
52294 CN1CCN(CC1)C=NC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)O1)c1ccccc1 |w:8.9,c:10,t:15|
52295 CC(=NCCN1CCCCC1)c1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O |w:2.2|
52296 COc1ccc2n(CCn3c4ccccc4oc3=O)c3nc4ccccc4nc3c2c1
52297 CCOC(=O)COn1c2ccccc2[n+]([O-])c(-c2cc3ccccc3o2)c1=O
52298 COc1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc1CSc1ccccn1
52299 CN(C)CCCNC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O |w:7.6|
52300 CC(C)Cc1cc(C)nn1-c1nc2ccccc2c(=O)n1OCc1ccccc1
52301 CCCCCCCCOc1ccc(cc1)C1OC23CCCCC2C(C#N)(C#N)C1(C#N)C(=N)O3 |THB:32:31:22.23:16.15|
52302 CC(C)c1ccc(cc1)C1C(C#N)C(=N)N2C(Sc3ccccc23)=C1C#N |c:26|
52303 COC(=O)\C=C1\N(C(=S)N(C1=O)c1nc2ccccc2s1)c1ccc(F)cc1
52304 COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
52305 COc1cccc(c1)C1N(Cc2ccco2)C(=O)c2oc3ccccc3c(=O)c12
52306 COC(=O)C1CSc2[nH]c(=O)sc2C1c1ccc(OC)c(OC)c1
52307 COc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:14.15|
52308 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc(OC)c(OC)c1
52309 COc1ccc(cc1)N=Cc1c(O)n(-c2cccc(C)n2)c(=O)c2ccccc12 |w:8.8|
52310 COc1cc(ccc1NC=C1C(C)=C(C#N)C(=O)N(C)C1=O)S(=O)(=O)Nc1ccc(C)cc1 |w:9.9,t:13|
52311 COc1cc(cc(Br)c1O)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1cccnc1
52312 Brc1ccccc1C(=O)[C-](C(=S)NCc1ccco1)[n+]1ccccc1
52313 CNc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
52314 CCCCn1c2nc(-c3ccc(o3)-c3ccccc3Br)n(CCOC)c2c(=O)[nH]c1=O
52315 CN1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2C1=O |w:5.5|
52316 CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cn(nc2-c2cccnc2)-c2ccccc2)c(=O)n1-c1ccc(F)cc1 |w:6.5|
52317 COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
52318 COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)c(Cl)c3)c2cc1OC |t:7|
52319 NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)C1CCC=CC1 |c:12,23|
52320 Cc1n[nH]c(C)c1Sc1ccccc1\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O
52321 OC(=O)C(=O)C(=C/c1cccc2ccccc12)\c1ccc2ccccc2n1
52322 Cc1ccc(\C=C(/C#N)C(=O)Nc2ccc(C)cc2C)s1
52323 CCOC(=O)C=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1
52324 COC(=O)C1CSc2[nH]c(=O)sc2C1c1ccccc1
52325 COCCCNC(CC(=O)Nc1cc(C)cc(C)c1)C(O)=O
52326 Cc1ccc(\C=C(/C#N)C(=O)Nc2c(C)cccc2C)s1
52327 Cc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|
52328 OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
52329 COc1cccc(CN=Nc2ncnc(N)c2[N+]([O-])=O)c1OC |w:9.9|
52330 CCCn1nc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2c1=O
52331 Cc1c(C=NNC(=O)c2cc(=O)[nH]c(=O)[nH]2)c2ccccn2c1C(=O)c1ccccc1 |w:4.4|
52332 Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(Cl)cc2)C(O)=O)[nH]1 |w:7.7|
52333 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccc(Cl)s2)cc1
52334 CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc(Nc3ccccc3)cc(=O)n12
52335 Cc1n(nc2c1c(C)n[nH]c2=S)-c1cccc(Cl)c1
52336 Cc1ccc(NC(=O)COc2ccc(\C=C3\S\C(=N/c4ccccc4)N(Cc4cccnc4)C3=O)cc2)cc1
52337 CCN1C(=S)S\C(=C/c2c(C)nn(C)c2C)C1=O
52338 COc1ccc(\C=C2\N=C(OC2=O)c2cccs2)cc1OC(C)C |c:8|
52339 COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2C1c1cccc(OC)c1 |c:4,t:7,12|
52340 CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(F)cc1 |w:19.21,c:1|
52341 CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)s1
52342 COc1ccccc1NC(=S)NNC(=O)c1cc(C)n(C)n1
52343 Cc1cc(ccc1\C=C1/SC(=O)N(CC=C)C1=O)N1CCOCC1
52344 Cc1ccc(\C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)s1
52345 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2cc(-[#6])n(-[#6]-3-[#6]-[#6]-[#6]-[#6]-3)c2-[#6])-[#6]-1=O
52346 Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C1=O |w:15.16|
52347 CSc1nncc(n1)C(C)N=Nc1ccccc1 |w:11.12|
52348 CCCCNC(=S)NNC(=O)c1cc(C)on1
52349 CN(C)c1ccc(\C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1
52350 CCCN1C(=O)\C(S\C1=N\c1ccc(OC)cc1)=C\c1ccc(C)o1
52351 COc1cccc(c1)N=Nc1c2[nH]c(C)cc(=O)n2[nH]c1=O |w:9.10|
52352 Brc1ccc(cc1)C(=O)NN1C(Nc2ccccc2C1=O)c1ccccn1
52353 COc1ccc(C2[C-](C#N)C(=[NH2+])OC3=C2C(=O)CC(C)(C)C3)c(c1OC)[N+]([O-])=O |c:13|
52354 Cc1nnc(SC(=Cc2ccc(o2)-c2cccc(Cl)c2)C(O)=O)[nH]1 |w:7.7|
52355 Clc1ccc(C(=O)Nc2cc(=O)[nH]c3ncnn23)c(Cl)c1
52356 O=C(Cn1cncn1)NN=Cc1c2ccccc2cc2ccccc12 |w:9.9|
52357 CCc1cc[n+](cc1)-c1[n-]c(=O)sc1C=O
52358 Oc1ccc(CN=Nc2nc3ccccc3c(=O)n2O)cc1 |w:7.7|
52359 N=C1N2N=CSC2=NC(=O)\C1=C\c1ccc(SCc2ccco2)o1 |c:3,7|
52360 NC(=O)C[n+]1cccc2ccccc12
52361 CN(C)c1ccnc(Oc2ccc(Cl)cc2)c1C#N
52362 CN(C)C=Cc1oc(=O)c(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(C)=O |w:4.4|
52363 COC(C(=O)NN=C(C)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(=O)OC)c1ccccc1 |w:6.5,c:17|
52364 CN1C(=O)NC(=O)\C(=C/c2cc(C)n(c2C)-c2ccc3OCOc3c2)C1=O
52365 OCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
52366 COc1ccc(\C=C(/C#N)C(=O)NCC2CCCO2)cc1OC
52367 COc1ccc(cc1)C(=O)CC1=NCC2N(CCc3ccccc23)C1=O |t:12|
52368 Cc1cc(nn1CC(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
52369 CCOC(=O)c1cc(sc1NC(=S)Nc1cc(C)ccn1)-c1ccccc1
52370 CC(=O)Nc1ccc(NC=C2C(=O)N(CCc3ccccc3)C(=O)C(C#N)=C2C)cc1 |w:9.8,c:27|
52371 COc1ccc(cc1OC)C(=O)CC=Nc1ccc(cc1C)[N+]([O-])=O |w:14.15|
52372 Cc1ccc2nc3sc(C(=O)N4CCCc5ccccc45)c(N)c3cc2c1
52373 Cc1cccc2cc3c(N)c(sc3nc12)C(=O)Nc1ccc(cc1)N1CCOCC1
52374 CCCCOc1ccc(\C=C2\Sc3ccccc3C2=O)cc1
52375 Fc1ccc2NC(C3CC=CC3c2c1)c1cc2OCOc2cc1Br |c:9|
52376 CC(C)COc1ccc(\C=C2\Sc3ccccc3C2=O)cc1
52377 COC(=O)c1c(C)c(C)sc1NC(=O)CC1Nc2ccccc2NC1=O
52378 Cc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:14.15|
52379 Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
52380 COc1ccc2NC(C3CC=CC3c2c1)c1cc2OCOc2cc1Br |c:10|
52381 Cc1cccc(C)c1NC(=O)CN1C(=O)S\C(=C/c2cccn2-c2cccc(c2)C(O)=O)C1=O
52382 Cc1ccc(cc1C)N1C(=S)NC(=O)C(=Cc2ccc(CN(CCC#N)S(C)(=O)=O)o2)C1=O |w:15.16|
52383 Cc1sc(nc1OC(=O)c1cccc(Cl)c1Cl)-c1ccccn1
52384 Cc1nc(sc1C(=O)CC=Nc1ccc(C)cc1)-c1ccccc1 |w:10.11|
52385 FC(F)(F)c1cc(n2nc(cc2n1)-c1sccc1-n1cccc1)C(F)(F)F
52386 CN(C)C=Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(C)=O |w:4.4|
52387 CCn1c(SCc2ccc(C)cc2)nnc1C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1
52388 OC1(CSc2ccc(Cl)cc2)CCN(CC1)S(=O)(=O)c1ccccc1
52389 COc1ccc(cc1)C(=O)Nc1cc(C(C)=O)c(C=CN(C)C)oc1=O |w:18.18|
52390 FC(F)(F)c1cc(=O)n(nc1C(=O)Nc1ccccc1)-c1ccccc1
52391 Fc1ccc(cc1)-c1nc2c(Cl)cc(cn2c1Cl)C(F)(F)F
52392 Cc1ccc(NC=C2SC(=O)c3ccccc23)c(C)c1 |w:6.5|
52393 [O-][N+](=O)\C=C1/SCC(=O)N1c1ccccc1
52394 CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(Cl)cc3)cc2n2ccccc12 |w:15.14|
52395 COc1ccc(cc1Cn1nc(C)c(c1C)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CCC2 |c:28|
52396 COC(=O)c1ccc(cc1)-n1c(C)ccc1-c1ccccc1
52397 COc1ccc(C(=O)CC=Nc2ccc(cc2C)[N+]([O-])=O)c(OC)c1 |w:10.10|
52398 CCC(=S)C=C1Sc2ccc3ccccc3c2N1CCCS([O-])(=O)=O |w:4.3|
52399 CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(\C=C2\C(=O)NC(=O)N(CC)C2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;16.4,1.15,;17.8,1.78,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|
52400 C\C(\C=C1/N=C(SCc2ccccc2Cl)SC1=O)=C/c1ccccc1 |t:4|
52401 CN(C)c1ccc(\C=C\c2nc3ccccc3s2)cc1
52402 Cc1ccc(\C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)o1
52403 Oc1c(ccc2ccccc12)C(=O)NNC(=O)c1ccccc1Cl
52404 CCCNc1c(F)c(F)c2c(C)c3ccccc3nc2c1F
52405 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1cccc(-[#6])c1
52406 CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
52407 Clc1ccc(cc1Cl)-c1ccc(C=NNC(=O)C(=O)N2CCCC2)o1 |w:13.14|
52408 CCCCC1(C)OC(=O)C(=Cc2ccc(cc2)N(CC)CC)C(=O)O1 |(3.08,-6.34,;4.62,-6.34,;5.39,-5.01,;6.93,-5.01,;7.7,-3.67,;8.47,-5.01,;6.37,-2.9,;6.37,-1.36,;5.03,-.59,;7.7,-.59,;7.7,.95,;9.03,1.72,;9.03,3.26,;10.37,4.03,;11.7,3.26,;11.7,1.72,;10.37,.95,;13.03,4.03,;13.03,5.57,;14.37,6.34,;14.37,3.26,;15.7,4.03,;9.03,-1.36,;10.37,-.59,;9.03,-2.9,)|
52409 COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O
52410 COC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(C1)c1ccc(Cl)cc1 |t:4|
52411 CCN(CC)c1ccc(C=C2C(=O)OC(C)(OC2=O)C(C)(C)C)cc1 |(4.41,-6.34,;5.75,-5.57,;5.75,-4.03,;4.41,-3.26,;3.08,-4.03,;7.08,-3.26,;7.08,-1.72,;8.41,-.95,;9.75,-1.72,;11.08,-.95,;11.08,.59,;12.42,1.36,;13.75,.59,;12.42,2.9,;11.08,3.67,;9.9,4.66,;9.75,2.9,;9.75,1.36,;8.41,.59,;11.85,5.01,;12.62,6.34,;13.19,4.24,;10.86,6.18,;9.75,-3.26,;8.41,-4.03,)|
52412 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#16]-c3ccccc3)o2)-[#6]-1=O
52413 Cc1c(NC(=O)CSc2ccc(Cl)cc2)cccc1-c1nc2cc(Cl)ccc2o1
52414 CC(C)(C)NC(=S)NCCc1ccccc1
52415 [O-][N+](=O)c1ccccc1S(=O)(=O)n1nnc2ccccc12
52416 Cc1cc([nH]n1)C(=O)NN=Cc1ccc(o1)-c1cccc(Cl)c1Cl |w:9.9|
52417 [#6]-[#6]-[#8]-c1c(\[#6]=[#6](\C#N)C#N)c2ccccc2n1-[#6]-[#6]
52418 Cc1c(Cl)cccc1NC(=S)N1CCN(CC1)C(=O)C1CCCO1
52419 COc1ccc(NC(=O)c2ccc(NCCCN3CCOCC3)c(c2)[N+]([O-])=O)cc1
52420 FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=S)NCC=C
52421 CN(C)c1ccc(cc1)\N=C\c1nc(oc1OC(=O)c1ccc(C)cc1)-c1ccccc1
52422 [#7]-[#6](=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-c1ccc(\[#6]=[#6](/C#N)C#N)o1
52423 CCOc1cc(ccc1O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
52424 Cc1nnc(=O)[nH]c1N=[NH+]C[c-]1ccc(=O)c(c1)[N+]([O-])=O |w:8.8|
52425 CCOC(=O)c1c(C)c(C)sc1NC(=O)CC1Nc2ccccc2NC1=O
52426 Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(ccc1O)[N+]([O-])=O
52427 N#C\[#6](=[#6]\c1ccc(o1)-c1ccccc1)C#N
52428 Cc1ccc(cc1)S(=O)(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O
52429 Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
52430 Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cnn(c2)-c2ccc(C)cc2)C1=O |w:14.15|
52431 COc1ccc(CCN2C(=O)NC(=O)C(=CNNC(=O)c3ccncc3)C2=O)cc1OC |w:15.15|
52432 [O-][N+](=O)c1ccc(cc1)N=CCC(=O)c1ccc(Br)cc1 |w:9.9|
52433 CN1C(=O)\C(=C\c2ccc3OCOc3c2)N=C1c1ccccc1 |c:17|
52434 Clc1ccccc1-c1ccc(\C=C2/SC(=NC2=O)N2CCOCC2)o1 |c:15|
52435 [O-][N+](=O)c1cc(C#N)c(cc1NC1CCCC1)C#N
52436 O=C(NCc1ccccc1)C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)\C#N
52437 CCn1c(\C=C\c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O
52438 N(N=Cc1ccccn1)C(=Nc1ccccc1)c1ccccn1 |w:10.11,1.0|
52439 CN(C)c1ccc(\C=C(/C#N)C(=O)NCc2ccco2)cc1
52440 Cc1sc(\C=C2/C(=O)ON=C2c2ccccc2)cc1Br |c:9|
52441 CCOC(=O)c1c2CCCCc2sc1N=Cc1c(O)n(-c2cccc(C)c2)c(=O)[nH]c1=O |w:14.15|
52442 CCOC(=O)Cc1csc(NC(=O)c2sc3nc4cc(C)ccc4cc3c2N)n1
52443 Cc1ccccc1OCC(=O)Nc1ccc2C(=O)c3ccccc3C(=O)c2c1
52444 COc1ccccc1Nc1nc2nonc2nc1N1CCCCC1C
52445 CCCCN(C)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
52446 [O-][N+](=O)c1ccc(cc1)C(=O)NN1C(Nc2ccccc2C1=O)c1ccccn1
52447 CCCCc1ccc(\C=C2/C(=O)ON=C2c2ccccc2)s1 |c:13|
52448 Fc1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:7,14|
52449 COC(=O)c1c(O)c(=Cc2cccs2)n(-c2ccc(Cl)cc2)c1=C
52450 COc1ccc(cc1Cn1cc(cn1)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:26|
52451 C=CCN1C(=O)NC(=O)C(=CCC=Nc2ccccc2)C1=O |w:13.13,10.10|
52452 COc1ccc(cc1Cn1nc(C)c(c1C)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:28|
52453 Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(C(O)=O)c1C |w:5.5,(17.88,3.32,;16.63,2.42,;15.17,2.89,;14.26,1.65,;12.72,1.65,;11.95,2.98,;10.41,2.98,;9.64,4.31,;10.41,5.65,;8.1,4.31,;7.2,5.55,;5.75,5.08,;4.41,5.85,;3.08,5.08,;3.08,3.54,;4.41,2.77,;5.75,3.54,;7.2,3.07,;15.17,.4,;14.69,-1.07,;16.63,.88,;17.88,-.03,;19.29,.6,;20.53,-.31,;20.37,-1.84,;18.96,-2.47,;18.8,-4,;20.05,-4.9,;17.4,-4.62,;17.72,-1.56,;16.31,-2.19,)|
52454 Cn1cccc1\C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O |t:17|
52455 Cc1ccc(-c2ccccc2)n1-c1ccc(cc1)C(O)=O
52456 OC(=O)CCCCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccsc2c1=O
52457 CCOC(=O)c1c(NC(=O)C(=C\c2ccc(OC)c(OC)c2)\C#N)scc1-c1ccccc1
52458 Cn1ncc2c(NNC(=O)Cc3ccccc3)ncnc12
52459 COc1ccc2n(CCCN3C(=O)c4ccccc4C3=O)c3nc4ccccc4nc3c2c1
52460 [#6]-[#6]-[#8]-[#6](=O)-c1cc(-[#6]-[#6])sc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
52461 CCOc1ccc(cc1)N1C(=O)S\C(=C/c2cccn2C)C1=O
52462 OC(=O)c1cccc(c1)-n1cccc1C=NNC(=O)Nc1ccccc1 |w:15.17|
52463 [O-][N+](=O)c1ccc(\C=N\n2cnc3ccccc23)s1
52464 CC(C)CC(=O)Cc1nc2cc(C)ccc2oc1=O
52465 COC(=O)C(=C\c1c(Oc2cc(C)cc(C)c2)nc2c(C)cccn2c1=O)\C#N
52466 COc1ccc(cc1)N=Cc1cc2C(C(C#N)C(=N)Oc2cc1O)c1ccccc1 |w:8.8|
52467 Cc1cc[n+](cc1C)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
52468 O=C(Cc1ccccc1)NNC(=O)c1cnccn1
52469 COc1cccc(OCCCn2cc(\C=C3/C(=O)N=C4SC(C)=CN4C3=N)c3ccccc23)c1 |c:22,t:18|
52470 CSC(NS(=O)(=O)c1cccs1)=Nc1cccc(Cl)c1C |w:12.13|
52471 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NN1Cc4ccccc4C1=N)(C2)C3 |TLB:8:6:26:1.25.2,8:1:26:6.9.5,THB:2:1:9:3.26.5|
52472 Cc1nn(c(N2CCCC2)c1C=NNC(=O)c1cc(nc2ccccc12)-c1cccnc1)-c1ccccc1 |w:12.14|
52473 CNC(=O)NC(=O)COC(=O)c1ccc(cc1)-n1c(C)ccc1C
52474 Cc1sc(c(C#N)c1C)-n1c(C)cc(C=C2C(=O)NC(=O)NC2=O)c1C |(3.08,4.58,;4.54,4.1,;5.02,2.64,;6.56,2.64,;7.04,4.1,;8.5,4.58,;9.97,5.06,;5.79,5.01,;5.79,6.55,;7.47,1.39,;9.01,1.39,;9.91,2.64,;9.48,-.07,;8.24,-.98,;8.24,-2.52,;9.57,-3.29,;9.57,-4.83,;8.24,-5.6,;10.9,-5.6,;12.24,-4.83,;13.57,-5.6,;12.24,-3.29,;10.9,-2.52,;10.9,-.98,;6.99,-.07,;5.53,-.55,)|
52475 CCN(CC)S(=O)(=O)c1ccc(NC=C2C(C)=C(C#N)C(=O)N(C)C2=O)cc1 |w:13.12,t:16|
52476 C[NH+]1CCC2(CC1)C(C#N)C(=N)NC(=S)[C-]2C#N |(6.31,-4.22,;7.08,-2.89,;5.75,-2.12,;5.75,-.58,;7.08,.19,;8.41,-.58,;8.41,-2.12,;5.75,.96,;4.41,.19,;3.08,-.58,;5.75,2.5,;4.41,3.27,;7.08,3.27,;8.41,2.5,;9.75,3.27,;8.41,.96,;9.75,.19,;11.08,-.58,)|
52477 COC(=O)c1cc(cc(c1)-n1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C)C(=O)OC
52478 Oc1ccc2ccccc2c1C=NNC(=O)CCSc1nc2ccccc2s1 |w:12.14|
52479 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O |w:11.11|
52480 [O-][N+](=O)c1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccc(Cl)cc2)c1=N
52481 Cn1ncc(Cl)c1C(=O)N\N=C\c1cccc(OC2CSC2)c1
52482 COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C
52483 Cc1cc(C)c[n+](c1)-c1[n-]c(=O)sc1C=NNC(=S)Nc1ccccc1 |w:15.17|
52484 Fc1ccc(NC(=O)CN2C(=S)S\C(=C\C=C\c3ccccc3)C2=O)cc1
52485 Fc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
52486 COC(=O)c1cccc(c1C)-n1c(C)cc(C=O)c1C |(3.08,-5.98,;4.41,-5.21,;4.41,-3.67,;3.08,-2.9,;5.75,-2.9,;7.08,-3.67,;8.41,-2.9,;8.41,-1.36,;7.08,-.59,;5.75,-1.36,;4.41,-.59,;7.08,.95,;5.84,1.86,;4.37,1.38,;6.31,3.32,;7.85,3.32,;8.76,4.57,;8.13,5.98,;8.33,1.86,;9.79,1.38,)|
52487 COC(=O)c1ccc(C)c(c1)-n1c(C)cc(C=O)c1C |(9.79,-5.98,;8.46,-5.21,;8.46,-3.67,;9.79,-2.9,;7.12,-2.9,;5.79,-3.67,;4.46,-2.9,;4.46,-1.36,;3.12,-.59,;5.79,-.59,;7.12,-1.36,;5.79,.95,;4.54,1.86,;3.08,1.38,;5.02,3.32,;6.56,3.32,;7.47,4.57,;6.84,5.98,;7.04,1.86,;8.5,1.38,)|
52488 Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(SC(F)F)cc2)\C#N)n(n1)-c1ccccc1
52489 Cc1cc(cc2C3C=CCC3CNc12)[N+]([O-])=O |c:7|
52490 COc1cc2C(=O)c3nccc4c(OC)c(OC)c(OC)c(-c2cc1OC)c34
52491 COc1cc2C(=O)c3nccc4cc(OC)c(OC)c(-c2cc1OC)c34
52492 COc1ccc(C(=O)\C=C\c2ccc(N3CCCCC3)c(c2)[N+]([O-])=O)c(OC)c1
52493 COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1Cl
52494 COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Br)cc1
52495 COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)COC(=O)CC2Sc3ccccc3NC2=O)c1C
52496 CCc1ccc(NC(=O)C(=C\c2cc3ccc(C)cc3nc2N2CCOCC2)\C#N)cc1
52497 CCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O
52498 Cc1ccc2cc(\C=C(/C#N)C(N)=O)c(nc2c1)N1CCCCC1
52499 CCOC(=O)C=c1sc(=Cc2ccc(cc2)C#N)c(=O)n1CC(=O)NCc1ccco1
52500 NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
52501 O=c1[nH]c(CSc2ncccn2)nc2n(ncc12)-c1ccccc1
52502 Cc1[n-][o+]nc1OCCNCCNc1ccc([N+]([O-])=O)c2cccnc12
52503 CCSC1=NC(=O)C(N1)=Cc1ccccc1 |w:9.10,t:3|
52504 COc1ccc(CCC(=O)Nc2cccc(Cl)c2)cc1
52505 c1nc2cc3nc4ccccc4nc3cc2[nH]1
52506 COc1cccc(c1)C(=O)NNc1nc(C)cc(C)n1
52507 Cc1cc(=O)n2[nH]c(N)c(N=Nc3ccccc3)c2n1 |w:10.9|
52508 CCN1C(=S)N\C(=C\N(C)C)C1=O
52509 CCCC1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:13|
52510 COc1cc2OCOc2cc1C=C1NC(=O)N(C1=O)c1ccccc1 |w:11.12|
52511 COc1ccc(Cl)cc1NC(=S)NCC=C
52512 CCOC(=O)c1ccc(cc1)-n1c(C)ccc1C
52513 CCN(CC)C(=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F
52514 CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(C)c2C)C1=O |w:15.16|
52515 CCCCc1cn(nn1)[C@@H](CCCCN)C(=O)N1CCNCC1
52516 OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccncc1 |c:11|
52517 Cc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12
52518 Cc1ccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc2c1C
52519 Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+]([O-])=O
52520 CSc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:12|
52521 CC(C)Sc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|
52522 COc1cccc(c1)C(=O)NCC(=O)NNc1ncnc(N)c1[N+]([O-])=O
52523 CCN1CCN(Cc2c3O\C(=C/c4ccccc4)C(=O)c3ccc2O)CC1
52524 Brc1ccc(cc1)-[#6](=O)-[#7]-c1ccc(\[#6]=[#6](\C#N)C#N)cc1
52525 COc1ccc(C=CC(=O)c2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1OC |w:7.7,t:16|
52526 Oc1ccc(C=c2sc3nc(c(-c4ccccc4)n3c2=O)-c2ccccc2)cc1
52527 Cc1cc(C=O)c(C)n1-c1cc(ccc1C)C(O)=O |(3.08,1.24,;4.54,1.71,;5.02,3.18,;6.56,3.18,;7.47,4.42,;6.84,5.83,;7.04,1.71,;8.5,1.24,;5.79,.81,;5.79,-.73,;7.12,-1.5,;7.12,-3.04,;5.79,-3.81,;4.46,-3.04,;4.46,-1.5,;3.12,-.73,;8.46,-3.81,;8.46,-5.35,;9.79,-3.04,)|
52528 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1cccc(c1)C(O)=O)c1c(C)[nH][nH]c1=O
52529 COc1ccc(C=NNC(=O)c2ccc(cc2)N(C)S(=O)(=O)c2ccccc2)cc1
52530 CCN(CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCc1ccco1
52531 O=c1[nH]c(=S)[nH]c2[nH]c(=S)[nH]c12
52532 COc1ccc(cc1)-n1cc(CNCc2cnc3ccccn23)c(n1)-c1cccc(F)c1
52533 OC(=O)c1cccc(c1)-n1cccc1\C=C1/NC(=O)N(Cc2ccc(F)cc2)C1=O
52534 O=C1OCc2cc(ccc12)-n1cccc1
52535 CC(C)NC(=S)NN=Cc1c(C)[nH]c2ccccc12 |w:7.6|
52536 Cc1ccc(cc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)S(=O)(=O)N1CCOCC1
52537 COc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1
52538 COc1ccc(OC)c(c1)C1=C\C(=C\c2ccccn2)C(=O)O1 |t:11|
52539 Cc1ccccc1NC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cc(ccc2C)C(O)=O)C1=O
52540 COc1ccc(cc1OC)N=CCC(=O)c1ccc(C)cc1 |w:10.10|
52541 Fc1ccccc1NC(=O)c1coc(=O)c(Br)c1
52542 CCC(C)n1c2nc3ccc(C)cn3c(=O)c2cc(C#N)c1=N
52543 COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccccc1Cl
52544 [#8]-[#6](=O)-c1ccc(cc1)-n1cccc1\[#6]=[#6](/C#N)C#N
52545 Nc1ccc2nc(CCCC(O)=O)[nH]c2c1
52546 COc1ccc(C=C2CCCC(C(=O)C(F)(F)F)C2=O)cc1OC |w:6.5|
52547 CCOc1ccc(NC(=O)COc2ccccc2)c(c1)[N+]([O-])=O
52548 Cc1ccccc1NC1=NC(=O)C(S1)=Cc1cccn1-c1cccc(c1)C(O)=O |w:14.16,t:9|
52549 Oc1c(C=NN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)[nH]c(=O)n1-c1ccccc1 |w:4.4|
52550 Oc1ccc2occ(C=C3C(=O)NC(=O)N(C3=O)c3ccccc3)c(=O)c2c1 |w:8.7|
52551 COc1ccc(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:18|
52552 COc1ccc(OC)c(c1)C1Nc2c(Cl)ccc(C(O)=O)c2C2C=CCC12 |c:25|
52553 CN1C(=O)C(=CNNc2ccc(C)c(C)c2)C(C)=C(C#N)C1=O |w:5.5,t:18|
52554 NC(=O)c1cccc(c1)N=Cc1cc(Cl)cc(Cl)c1O |w:9.9|
52555 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
52556 CN1C(=O)S\C(=C\c2cccn2-c2cccc(c2)C(O)=O)C1=O
52557 CC(=O)C1C(NC(=O)N=C1c1ccccc1)c1ccc(O)c(O)c1 |c:8|
52558 Cc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1C(O)=O |(6.38,-1.44,;7.79,-.82,;8.11,.69,;9.64,.85,;10.41,2.18,;9.64,3.52,;10.41,4.85,;11.18,6.18,;8.1,3.52,;7.2,2.28,;5.75,2.75,;4.41,1.98,;3.08,2.75,;3.08,4.29,;4.41,5.06,;5.75,4.29,;7.2,4.76,;10.27,-.56,;11.78,-.88,;9.13,-1.59,;9.29,-3.12,;8.04,-4.03,;8.2,-5.56,;9.61,-6.18,;10.85,-5.28,;10.69,-3.75,;12.23,-3.85,;12.9,-5.24,;13.09,-2.58,)|
52559 C\N=C1\S\C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1C
52560 Clc1ccc(NC(=S)NCc2ccncc2)c(Cl)c1
52561 CCOc1ccc(Br)cc1S(=O)(=O)NC(=O)c1ccccc1
52562 CC1=N\C(=C\c2ccco2)C(=O)O1 |t:1|
52563 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2ccc(cn2)[N+]([O-])=O)o1 |w:16.17|
52564 Cc1ccc(cc1)N=Cc1cc(Br)cc(Cl)c1O |w:7.7|
52565 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2C)c(C)n1C |w:4.3|
52566 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(-[#16]-c3ccc(-[#6])cc3)o2)-[#6]-1=O
52567 C(N=Nc1nc2ccccc2[nH]1)c1ccccn1 |w:2.2|
52568 COc1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:8.8|
52569 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c(C)n1-c1ccc(cc1)C(O)=O |w:4.3|
52570 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c(C)n1-c1cccc(c1)C(O)=O |w:4.3|
52571 Fc1ccc(NC=C2C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)cc1 |w:6.5|
52572 Cc1cc(C=O)c(C)n1-c1cccc(C(O)=O)c1C |(4.37,1.24,;5.84,1.71,;6.31,3.18,;7.85,3.18,;8.76,4.42,;8.13,5.83,;8.33,1.71,;9.79,1.24,;7.08,.81,;7.08,-.73,;8.41,-1.5,;8.41,-3.04,;7.08,-3.81,;5.75,-3.04,;4.41,-3.81,;4.41,-5.35,;3.08,-3.04,;5.75,-1.5,;4.41,-.73,)|
52573 COc1cccc(c1)C1(O)CCN(CC(=O)Nc2nc(C)cs2)CC1
52574 CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1
52575 CN(C(C)=O)c1ccc(cc1)N=Nc1c(C)[nH]n(C(N)=S)c1=O |w:11.11|
52576 CC(=O)n1c(C=Nc2ccccc2)c(O)c2ccccc12 |w:6.6|
52577 Clc1cc(ccc1Br)-c1ccc(C=Nn2cnnc2)o1
52578 [O-][N+](=O)c1ccc(N2CCCC2)c([CH+][N-]NC(=O)c2ccccn2)c1
52579 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(C)c2)c(C)n1C |w:4.3|
52580 CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1cc2c(ccc3ccccc23)oc1=O |w:2.1|
52581 Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C)n1
52582 COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc-3c(Cc4ccccc-34)c2)C1=O |w:15.16|
52583 COc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc-3c(Cc4ccccc-34)c2)C1=O |w:15.16|
52584 CCOc1cc2OCOc2cc1\C=C(\C#N)c1ccc(cc1)C(O)=O
52585 Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CC1
52586 Cc1ccccc1CSCCNC(=S)Nc1ccccc1
52587 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3OCOc3c2)c(C)n1-c1cccc(C(O)=O)c1C |w:4.3,(10.19,2.75,;10.82,1.34,;12.32,1.02,;12.48,-.51,;13.82,-1.28,;15.15,-.51,;15.15,1.03,;13.82,1.8,;16.48,1.8,;17.82,1.03,;19.15,1.8,;17.82,-.51,;16.48,-1.28,;16.48,-2.82,;19.15,-1.28,;19.15,-2.82,;20.49,-3.59,;21.82,-2.82,;23.28,-3.29,;24.18,-2.05,;23.28,-.81,;21.82,-1.28,;20.49,-.51,;11.08,-1.13,;10.76,-2.64,;10.05,.01,;8.51,-.15,;7.89,-1.56,;6.36,-1.72,;5.45,-.47,;6.08,.93,;5.17,2.18,;3.64,2.02,;5.8,3.59,;7.61,1.1,;8.24,2.5,)|
52588 Cc1cc(C=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O
52589 OC(=O)c1cccc(c1)-n1cccc1\C=C(\C#N)c1ccc(Cl)cc1
52590 COC(=O)c1cccc(c1)-n1c(CCC(O)=O)ccc1-c1cccs1
52591 OC(=O)c1cccc(c1)-n1cccc1\C=C(\C#N)c1ccc(F)cc1
52592 Cc1cc(\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O
52593 Cc1cc(C=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
52594 Cc1cc(\C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(cc1C)C(O)=O |(6.07,.21,;7.54,.69,;8.01,2.15,;9.55,2.15,;10.46,3.4,;9.83,4.81,;10.74,6.05,;11.64,7.3,;8.3,4.97,;7.4,3.72,;7.67,6.37,;6.14,6.53,;5.52,7.94,;3.99,8.1,;3.08,6.86,;3.71,5.45,;5.24,5.29,;10.03,.69,;11.49,.21,;8.78,-.22,;8.78,-1.76,;10.12,-2.53,;10.12,-4.07,;8.78,-4.84,;7.45,-4.07,;7.45,-2.53,;6.12,-1.76,;8.78,-6.38,;10.12,-7.15,;7.45,-7.15,)|
52595 Cc1cc(\C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(C(O)=O)c1C |(5.79,-1.74,;7.26,-1.26,;7.74,.2,;9.28,.2,;10.18,1.45,;9.55,2.86,;10.46,4.1,;11.36,5.35,;8.02,3.02,;7.12,1.77,;7.4,4.42,;5.86,4.58,;5.24,5.99,;6.14,7.24,;5.52,8.64,;3.99,8.8,;3.08,7.56,;3.71,6.15,;9.75,-1.26,;11.22,-1.74,;8.51,-2.17,;8.51,-3.71,;9.84,-4.48,;9.84,-6.02,;8.51,-6.79,;7.17,-6.02,;5.84,-6.79,;5.84,-8.33,;4.5,-6.02,;7.17,-4.48,;5.84,-3.71,)|
52596 Fc1ccc(\C=C\c2nc3ccccc3[nH]c2=O)cc1
52597 CN1C(=O)C(=CNNc2ccc(F)cc2)C(C)=C(C#N)C1=O |w:5.5,t:17|
52598 CCn1c(C)cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2C)c1C |w:7.6|
52599 Cc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c(C)n1-c1cccc(c1)C(O)=O
52600 Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(cc1C)C(O)=O |(10.77,-3.14,;10.93,-1.6,;9.79,-.57,;10.41,.83,;9.64,2.17,;8.1,2.17,;7.2,3.41,;7.68,4.87,;5.75,2.94,;4.41,3.71,;3.08,2.94,;3.08,1.4,;4.41,.63,;5.75,1.4,;7.2,.93,;7.68,-.54,;11.95,.67,;12.98,1.82,;12.27,-.83,;13.67,-1.46,;14.92,-.55,;16.32,-1.18,;16.49,-2.71,;15.24,-3.62,;13.83,-2.99,;12.59,-3.9,;17.89,-3.34,;19.14,-2.43,;18.05,-4.87,)|
52601 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccc(cc1)-[#6](-[#8])=O
52602 Cc1cc(\C=C(\C#N)C(=O)Nc2cccc(C)c2)c(C)n1-c1ccc(cc1)C(O)=O
52603 OC(=O)c1ccccc1-n1c2CCCC(=O)c2cc1-c1ccccc1 |(4.87,4.31,;5.19,2.8,;4.04,1.77,;6.65,2.32,;7.13,3.79,;8.64,4.11,;9.67,2.96,;9.19,1.5,;7.68,1.18,;7.2,-.29,;5.75,-.76,;4.41,.01,;3.08,-.76,;3.08,-2.3,;4.41,-3.07,;4.41,-4.61,;5.75,-2.3,;7.2,-2.76,;8.1,-1.53,;9.64,-1.53,;10.41,-2.86,;11.95,-2.86,;12.72,-1.53,;11.95,-.19,;10.41,-.19,)|
52604 Cc1cc(\C=C(\C#N)C(=O)Nc2ccccc2C)c(C)n1-c1ccc(cc1)C(O)=O
52605 COc1ccccc1C(=O)C1CCCN(C1)C(=O)c1cccnc1SC
52606 C\C(=C/c1ccco1)\C=C1\SC(=S)N(CC(O)=O)C1=O
52607 CC(C)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
52608 CCc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
52609 Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|
52610 COCCN1CCC(CNCc2c(nc3c(C)cccn23)C(=O)N2CCCCC2)C1
52611 CN(Cc1ccc(C)cc1)C(=O)CC1N(CC2CCCCC2)CCNC1=O
52612 NC(=O)C1(CCN(Cc2nc(no2)-c2cccs2)CC1)N1CCCCC1
52613 COCCN1CCC(CNCc2c[nH]nc2-c2ccc(C)c(C)c2)C1
52614 COc1ccc(cc1OC)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:18|
52615 CN(CC(=O)NCc1ccccn1)S(=O)(=O)c1ccc(Br)cc1
52616 O=C(NC(=S)NNS(=O)(=O)c1ccccc1)c1cccnc1
52617 O=C(N1CCc2ccccc12)c1ccco1
52618 OC(=O)c1cccc(c1)-n1cccc1\C=C/[N+]([O-])=O
52619 CN1C(=O)\C(=C/NC(C)=O)C(C)=C(C#N)C1=O |t:11|
52620 [#6]-[#6]-[#7]-1\[#6](-[#6]=[#6]-c2ccccc-12)=[#6](\C#N)C#N |c:4|
52621 COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)cc(c1O)[N+]([O-])=O
52622 COc1ccc(CCCc2nc3ccccc3[nH]2)cc1
52623 OC(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1
52624 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1C |w:4.3|
52625 CCOc1cccc(=O)c2c(C)n(c(C)c12)-c1ccc(cc1)C(O)=O
52626 CC(=O)NC1=NC(=O)\C(S1)=C\c1cc(C)n(c1C)-c1cccc(c1)C(O)=O |t:4|
52627 CCOc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)cc(c1O)[N+]([O-])=O
52628 COc1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)cc1OC |w:6.5|
52629 C=CCN1C(=O)NC(=O)\C(=C\C=C\c2ccccc2)C1=O
52630 Cc1nc2cc(N)ccc2n1C1CCCCC1
52631 COc1cc(\C=C2/C(=O)NN(C2=O)c2ccccc2)cc(c1O)[N+]([O-])=O
52632 CCn1c(C)nc2cc(N)ccc12
52633 Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O
52634 Oc1csc(=S)n1N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O
52635 COc1ccc(cc1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:16|
52636 CCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccccc1
52637 NC(=O)c1ccsc1N
52638 CCC(C)n1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=N
52639 Cn1c(\N=N\c2ccc(cc2)N2CCOCC2)[n+](C)c2ccccc12
52640 COC(=O)CNc1cccc(c1)C(F)(F)F
52641 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1C |w:4.3|
52642 CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(OC)cc1
52643 CC1CC(C)(C)N2C(=O)C(=O)c3cc(C)cc1c23
52644 Cc1cc(=O)n([nH]1)-c1ccc(C(O)=O)c(N)c1
52645 Fc1ccc(cc1)C(=O)N1CCN(CC1)C1CCC(CC1)c1ccccc1 |(16.34,17.9,;15.01,17.13,;15.01,15.59,;13.68,14.82,;12.34,15.59,;12.34,17.13,;13.68,17.9,;11.01,14.82,;9.68,15.59,;11.01,13.28,;9.68,12.5,;9.68,10.96,;11.01,10.19,;12.34,10.96,;12.34,12.5,;11.01,8.65,;9.68,7.88,;9.68,6.34,;11.01,5.57,;12.34,6.34,;12.34,7.88,;11.01,4.03,;9.68,3.26,;9.68,1.72,;11.01,.95,;12.34,1.72,;12.34,3.26,)|
52646 CCn1c2ccccc2c(=O)c2ccccc12
52647 CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCC1CCCO1
52648 CCCCN1C(S\C(C1=O)=C1/Sc2ccccc2N1C)=Nc1nnc[nH]1 |w:20.23|
52649 CC(C)CNC(=O)c1ccc(cc1)C1SCC(=O)N1Cc1ccccc1
52650 COc1ccc(NC(=O)CN2CCC(CC2)NC(=O)C2CCCCC2)c(c1)[N+]([O-])=O
52651 O=C(NCc1ccncc1)C(=O)NN=Cc1ccccn1
52652 FC(F)(F)c1ccc2NC(C3CC=CC3c2c1)c1ccncc1 |c:12|
52653 O=C1N=C(S\C1=C\C1=Cc2ccccc2OC1)N1CCCCC1 |c:2,t:8|
52654 Cc1ccccc1C1=N\C(=C\c2cccs2)C(=O)O1 |t:8|
52655 [#6]-[#6]-[#8]-c1ccc2-[#7]\[#6](=[#6](\[#6](\Cl)=[#6](\Cl)Cl)/[#7+](-[#8-])=O)-c2c1
52656 CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|
52657 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#16]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)-[#6]-1=O
52658 Cc1cc(=O)nc2c3ccccc3n(CC(=O)Nc3ccccc3Br)n12
52659 Oc1ccccc1C(=O)NNC(=O)c1ccco1
52660 Cc1cccc(NC(=O)CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)c1
52661 [#8]-[#6](=O)-c1cccc(c1)-n1cccc1\[#6]=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
52662 CCOc1cc(cc(c1O)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:21|
52663 COCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
52664 COc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
52665 CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4|
52666 Oc1ccc(cc1)C(=O)NN=Cc1c(O)n(-c2ccccc2)c(=S)[nH]c1=O |w:10.10|
52667 CN(C)c1cccc(c1)C(=O)NN=Cc1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O |w:12.12|
52668 N=C1N2N=C(CC(=O)N3CCOCC3)SC2=NC(=O)\C1=C\c1ccc(SCc2ccccc2)o1 |c:17,t:3|
52669 O=C(NCCN1CCOCC1)c1cccn2c1nc1sc3CCCCc3c1c2=O
52670 Cc1oc(N=Cc2ccc(O)cc2O)c(C#N)c1C |w:4.3|
52671 COc1cc2n(Cc3ccc(F)cc3)cc3c(nnc3c2cc1OC)-c1ccccc1
52672 CCOC(=O)c1cnc2nc(C)ccc2c1O
52673 Cc1ccc(cc1)-c1nc(C=Nc2ccc(O)cc2)c(O)o1 |w:11.12|
52674 CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)sc2CN(C)CCc12
52675 COc1cc2n(Cc3ccccc3F)cc3c(nnc3c2cc1OC)-c1ccccc1
52676 CN(C)CCCN(C(=O)\C=C\c1cccs1)c1nc2ccc(F)cc2s1
52677 CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc23)c2ccccc12
52678 CN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1
52679 Cc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1
52680 CCN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1
52681 [O-][N+](=O)c1ccc(\C=C\C(=O)N2CCCC2)s1
52682 Cc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|
52683 Cc1c([nH][nH]c1=O)C(=O)NN=Cc1ccco1 |w:10.10|
52684 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccccc1C(O)=O)c1c(C)[nH][nH]c1=O
52685 Oc1csc(N=NCc2cccs2)n1 |w:5.4|
52686 [O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
52687 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 |w:18.18|
52688 CCN(CC)c1ccc(cc1)N=Nc1nnc[nH]1 |w:11.11|
52689 CN(C)\C=C\C(=O)c1cnc(s1)-c1ccccc1Cl
52690 CCN(CC)C(=O)c1cc2c(nc1C)oc1ccc(Cl)cc1c2=O
52691 [O-][N+](=O)c1ccc(cc1)C1=Nc2cc(Cl)ccc2OC1 |t:10|
52692 COC(=O)Cn1cc(\C=C2/S\C(=N\C)N(C)C2=O)c2ccccc12
52693 Fc1ccc(cc1)C(=O)Nc1cc(C#N)c2[nH]c3ccccc3n2c1=O
52694 CN1CCN(CC1)c1ccc2nc(C)c(C)nc2c1
52695 FCCCOc1ccc(\C=C\C(=O)Nc2ccnc(n2)-c2cccnc2)cc1
52696 Cc1[nH][nH]c(=O)c1C=NN1CCOCC1 |w:8.9|
52697 CCOC(=O)Cc1nc2ccccc2n(CC#N)c1=O
52698 Nc1ccc2nc(CCCO)[nH]c2c1
52699 Cc1ccc(NCC(=O)NN=Cc2ccc(cc2)C(O)=O)cc1
52700 Cc1c(N)cc(N)cc1C(O)=O
52701 Cc1nnc(N=Nc2ccc(O)cc2)[nH]1 |w:5.4|
52702 [O-][N+](=O)c1ccc2[nH]c(=O)c([CH-]C(=O)c3ccccc3)[nH+]c2c1
52703 [#6]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(-[#6])n1-c1cccnc1
52704 CC(C)Cc1nn2c(N)c(\C=C3/C=Nc4ccccc34)c(=O)nc2s1 |c:12|
52705 Cn1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
52706 Fc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
52707 COc1ccc(C=c2sc3nc(=O)c(C)nn3c2=O)c(OC)c1
52708 Cc1ccc(CN2C(=O)N\C(=C/c3cccn3-c3cccc(c3)C(O)=O)C2=O)cc1
52709 COc1cc(c[c-](\C=[NH+]\NC(=O)CC#N)c1=O)[N+]([O-])=O
52710 CC1=NOC(=O)\C1=C/c1ccc2OCOc2c1 |t:1|
52711 [#6]-[#6]-[#8]-[#6](=O)-c1c(-[#6])c(-[#6])sc1-[#7]\[#6]=[#6]-1\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-1=O
52712 Cc1ccc(Cl)c2\C(C(=O)Nc12)=C1/NC(=S)NC1=O
52713 Cn1ncc2c(NNC(=O)c3ccc(O)cc3)ncnc12
52714 Cc1ncc(C=O)c(CNNC(=O)c2cc(Br)ccc2O)c1O
52715 OC(=O)c1ccc2C(=O)\C(=C\c3ccco3)C(=O)c2c1
52716 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccc1
52717 OC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3cccnc23)[N+]([O-])=O)cc1
52718 OC(=O)c1cccc(c1)-n1cccc1\C=C1\NC(=O)N(Cc2ccccc2F)C1=O
52719 CC(=O)Oc1cc2cccc(OC(C)=O)c(=O)c2c(OC(C)=O)c1OC(C)=O
52720 COc1cc(NC(=O)CSc2nnc3ccc(nn23)-c2ccncc2)cc(OC)c1
52721 Cc1ccc(cc1)N=CC1Sc2ccccc2NC1=O |w:7.7|
52722 Nc1nncc(-c2ccc(Br)cc2)c1C#N
52723 COc1ccc(cc1)-n1nc2c(cc1=O)[nH][nH]c2=O
52724 Cn1c2ccccc2c(O)c(-c2cc(=O)[nH][nH]2)c1=O
52725 Clc1ccc(cc1)-n1nc2c(cc1=O)[nH][nH]c2=O
52726 Cc1ccsc1C=NNC(=S)NC1CCCCC1 |w:7.8|
52727 Cc1ccc(\C=C\C(=O)c2ccc(cc2)N2CCOCC2)s1
52728 CCOc1ccc(cc1)-n1c(O)c(C=Nc2ccnn2Cc2ccncc2)c2ccccc2c1=O |w:14.15|
52729 ClCC(=O)NCCN1C(=O)S\C(=C/c2cccnc2)C1=O
52730 COC(=O)c1ccc(cc1)-n1c(C)cc(C(=O)CCl)c1C
52731 Cc1ccc(NC(=O)Cn2c3ccccc3nc(C)c2=O)cc1
52732 CCOC(=O)C1=C2NC(=O)c3ccccc3N2C(=O)C1 |c:5|
52733 COC(=O)c1cc(cc(c1)-n1c(C)cc(C=O)c1C)C(=O)OC
52734 COC(=O)c1ccccc1-n1cccc1C(=O)NP(=O)(N1CCOCC1)N1CCOCC1
52735 Cc1cc(C)nc(NNC2=CC(=O)CC(C)(C)C2)n1 |t:9|
52736 O=Cc1c(nc2ccccn12)-c1ccccc1
52737 Clc1c(sc2ccccc12)C(=O)NNC1=CC(=O)CCC1 |t:16|
52738 Cc1ccc(cc1)C(=O)CSc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
52739 COCCN1C(=O)N(C(=O)\C(=C/c2c(OC)cc(OC)cc2OC)C1=O)c1ccccc1
52740 COc1ccc2c(cc(SCC(N)=O)nc2c1)-c1ccccc1
52741 Nc1ccc2C(=O)\C(Cc2c1)=C/c1ccco1
52742 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CO
52743 CN(CC(=O)Nc1cc(ccc1C)S(=O)(=O)N1CCOCC1)C1CCS(=O)(=O)C1
52744 Fc1ccc(CNc2nc(nc3ccccc23)-c2ccccc2)cc1
52745 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)C(=O)N1CCN(CC)CC1
52746 Cc1ccccc1Nc1nc(Cl)c(C=O)s1
52747 Cc1cccc(\C=C(/C(=O)C(O)=O)c2ccc3ccccc3n2)c1
52748 OC(=O)C(=O)C(=C/c1ccc(Cl)cc1)\c1ccc2ccccc2n1
52749 CN1\C(=C/C=NNC(=O)c2ccncc2)C(C)(C)c2ccccc12
52750 COc1cc(cc(OC)c1OC(=O)N1CCOCC1)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:28|
52751 Oc1csc(=S)n1[N-][CH+]c1ccc(Cl)c(c1)[N+]([O-])=O
52752 CCN(CC)C(=O)c1sc2nc(cc(-c3cccs3)c2c1N)-c1cccs1
52753 Cc1nnc(SC(=Cc2ccc(OCc3ccc(cc3)C(O)=O)cc2)C(O)=O)[nH]1 |w:7.7|
52754 Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O
52755 CC(=O)NCCNc1ccc(cc1C#N)[N+]([O-])=O
52756 Cc1cc(O)c(Oc2cc(C)cc(O)c2O)c(O)c1
52757 COc1cc(oc(=O)c1)[C@H](Cc1ccccc1)NC(C)=O
52758 CC(=O)c1c(O)cc(O)cc1CC(O)=O
52759 COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(O)c2o1
52760 Cc1nc2sc(cc2c(=O)n1N)-c1ccccc1
52761 O=C(C(C#N)c1nc2ccccc2s1)c1cc2ccccc2o1
52762 OCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccccc1
52763 CN1C(=O)c2ccccc2NC(=O)[C@]11O[C@@H]1c1cccc(O)c1
52764 C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1
52765 COc1cc(\C=C2/CCc3c2nc2ccccc2c3C(O)=O)cc(OC)c1OC
52766 Cc1ccc(\C=C\C(O)=O)cc1S(=O)(=O)N1CCCCC1
52767 COc1ccc(cc1)N=Cc1c(O)c2ccccc2n1C(C)=O |w:8.8|
52768 Cc1c(O)ccc(-c2n[nH]c(C(O)=O)c2-c2nc3ccccc3s2)c1O
52769 COc1cc(cc(c1O)[N+]([O-])=O)C1[C-](C#N)C(=[NH2+])OC2=C1C(=O)CC(C)(C)C2 |c:20|
52770 CC1(CCl)N([O-])C2=C(CCCC2)[N+]1=O |t:6|
52771 Cc1ccccc1-n1c(O)c(C=NNC(=O)c2ccccc2O)c(=O)[nH]c1=S |w:12.13,(8.41,-4.71,;9.75,-5.48,;9.75,-7.02,;11.08,-7.79,;12.42,-7.02,;12.42,-5.48,;11.08,-4.71,;11.08,-3.17,;9.75,-2.4,;8.41,-3.17,;9.75,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;7.08,3.76,;8.41,4.53,;5.75,4.53,;4.41,3.76,;3.08,4.53,;3.08,6.07,;4.41,6.84,;5.75,6.07,;7.08,6.84,;11.08,-.09,;11.08,1.45,;12.42,-.86,;12.42,-2.4,;13.75,-3.17,)|
52772 Cc1ccc(cc1)C(=O)Cc1nc2ccccc2oc1=O
52773 CCN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)c2ccccc12
52774 CCc1ccc(\C=C2/Oc3c(ccc(O)c3CN3CCN(CCO)CC3)C2=O)cc1
52775 CC1OC2(C)OC(=N)C1(C#N)C(C#N)(C#N)C2C |TLB:7:6:16.11:2.1,0:1:16.11:5.6,THB:17:16:2.1:5.6|
52776 COc1ccc(cc1OC)C(C)N=Nc1nc2ccccc2nc1C |w:13.14|
52777 CS(=O)(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\C=C\c1ccccc1
52778 CCC(C)[C@@H](N)C(=O)NN=Cc1cccc2nccnc12
52779 Cc1ccccc1-c1ccc(\C=C2\SC(=NC2=O)N2CCOCC2)o1 |c:15|
52780 Cn1c2nc(N=NNc3ccccc3F)[nH]c2c(=O)n(C)c1=O |w:5.4|
52781 CC(=O)C(=NNc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)C(C)=O |(15.6,-2.21,;14.06,-2.21,;13.29,-3.54,;13.29,-.87,;11.75,-.87,;10.98,.46,;9.44,.46,;8.54,-.78,;7.08,-.31,;5.75,-1.08,;5.75,-2.62,;4.41,-.31,;3.08,-1.08,;4.41,1.23,;3.08,2,;5.75,2,;5.75,3.54,;7.08,1.23,;8.54,1.7,;14.06,.46,;15.6,.46,;13.29,1.79,)|
52782 COc1ccc(cc1)N=C(C)c1sc2ccccc2c1O |w:8.8|
52783 COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccccc1 |w:22.25|
52784 CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
52785 CC1(C)CC(=O)C2Sc3ccccc3N=C2C1 |c:15|
52786 CC(C)OCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=NC(C)=O |w:25.28|
52787 CCOCCCn1c2nc3ccccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
52788 COc1cc(CN=Nc2[nH]c(=O)nnc2C)ccc1O |w:7.7|
52789 [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(o2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O
52790 O=C1C([N-]S(=O)(=O)c2cccs2)=C(C(=O)c2ccccc12)[n+]1ccc(CCCc2ccccc2)cc1 |c:12|
52791 COC(=O)c1ccc(cc1)-n1c(C)cc(CN=Nc2nc(C)cc(=O)[nH]2)c1C |w:16.16|
52792 Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1cccc(C(O)=O)c1C |w:5.4,(4.37,-2.82,;5.84,-2.35,;6.31,-.88,;7.85,-.88,;8.76,.36,;8.13,1.77,;9.04,3.02,;8.41,4.42,;9.31,5.67,;8.69,7.08,;7.16,7.24,;6.25,5.99,;6.88,4.58,;6.76,8.72,;7.85,9.81,;5.42,9.49,;8.33,-2.35,;9.79,-2.82,;7.08,-3.25,;7.08,-4.79,;8.41,-5.56,;8.41,-7.1,;7.08,-7.87,;5.75,-7.1,;4.41,-7.87,;4.41,-9.41,;3.08,-7.1,;5.75,-5.56,;4.41,-4.79,)|
52793 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6]-1=O
52794 COc1ccc(cc1OC)C1c2ccc(O)cc2Oc2ncn(Cc3ccco3)c(=N)c12
52795 Cc1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c(C)n1-c1cccc(c1)C(O)=O |w:5.4|
52796 Cc1n[nH]c(NNC(=O)c2ccccc2)c1[N+]([O-])=O
52797 CC(=Nc1ccc(Br)cc1)c1sc2ccccc2c1O |w:2.2|
52798 CCC(C)N1C(=S)NC(=O)C(=CNNc2nc3n(C)c(=O)n(C)c(=O)c3n2C)C1=O |w:11.11|
52799 COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc(NC(C)=O)cc3)C2=O)cc1OC |w:15.15|
52800 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]=[#6]-[#6]=[#6]\[#6]-1=[#6]/[#6]=[#6](/C#N)C#N |c:6,8|
52801 CC(C)OCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1cccs1
52802 C=CCn1cc\c(=N/C=C(C#N)C#N)c2ccccc12 |(5.75,6.16,;5.75,4.62,;7.08,3.85,;7.08,2.31,;5.75,1.54,;5.75,,;7.08,-.77,;7.08,-2.31,;5.75,-3.08,;5.75,-4.62,;7.08,-5.39,;8.41,-6.16,;4.41,-5.39,;3.08,-6.16,;8.41,,;9.79,-.82,;11.19,-.03,;11.19,1.57,;9.79,2.36,;8.41,1.54,)|
52803 O=C1NC(=O)\C(=C/c2c[nH]c3ccccc23)C(=O)N1CC1CCCO1
52804 Cc1ccc(\C=C2/C(=O)NC(=O)N(CC3CCCO3)C2=O)s1
52805 [#6]-c1cccc(-[#6])c1-[#7]-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
52806 CN1CCN(CC1)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2cc(C)cc(C)c2)o1 |w:11.11|
52807 CCOCCCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=NC(C)=O |w:23.26|
52808 CCN(CC)CCN1C(C(C(=O)c2cc3cccc(OC)c3o2)C(=O)C1=O)c1ccc(F)cc1
52809 Oc1c(C=NCCN2CCCCC2)c(=O)[nH]c(=O)n1-c1ccc(Br)cc1 |w:4.4|
52810 COc1cc2[nH]c(C(=O)NN)c(N)c2cc1OC
52812 CN(C)c1ccc(cc1)\N=C\c1nc(oc1OC(C)=O)-c1ccccc1
52813 COC(=O)c1c(O)c(=Cc2ccco2)n(-c2ccccc2)c1=C |w:8.8|
52814 CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:10|
52815 CC(=NCc1ccc2OCOc2c1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:2.2|
52816 Cc1cc(C)c(c(C)c1)-n1c(O)c(C=NNC(=O)c2ccncc2)c(=O)[nH]c1=O |w:14.15,(11.08,-8.09,;11.08,-6.55,;9.75,-5.78,;9.75,-4.24,;8.41,-3.47,;11.08,-3.47,;12.42,-4.24,;13.75,-3.47,;12.42,-5.78,;11.08,-1.93,;9.75,-1.16,;8.41,-1.93,;9.75,.39,;8.41,1.16,;8.41,2.7,;7.08,3.47,;7.08,5.01,;8.41,5.78,;5.75,5.78,;4.41,5.01,;3.08,5.78,;3.08,7.32,;4.41,8.09,;5.75,7.32,;11.08,1.16,;11.08,2.7,;12.42,.39,;12.42,-1.16,;13.75,-1.93,)|
52817 OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
52818 Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)S(=O)(=O)c1ccccc1
52819 COc1ccc(NC(=O)c2sc3nc(ccc3c2N)-c2cccnc2)cc1OC
52820 CCOC(=O)c1cnc(nc1NNc1nc(C)cc(C)n1)-n1nc(C)cc1C
52821 CC(=O)Nc1cccc(Oc2nc(nc3ccccc23)-c2ccccn2)c1
52822 Cc1cccc(Oc2nc(nc3ccccc23)-c2ccccn2)c1
52823 O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccc(CCCc2ccccc2)cc1)c1cccs1
52824 CCN(CC)C(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)C(O)=O
52825 Cc1cc([nH]n1)C(=O)N[NH+]=C[c-]1cc(Cl)cc([N+]([O-])=O)c1=O |w:9.9|
52826 Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(cc1)C(O)=O
52827 Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C |(12.52,4.7,;11.24,5.45,;9.9,4.69,;8.58,5.48,;7.3,4.74,;6.02,5.48,;4.7,4.69,;3.36,5.45,;3.36,6.99,;4.7,7.75,;6.02,6.96,;7.3,7.69,;8.58,6.96,;9.9,7.75,;11.24,6.99,;12.52,7.73,;2.08,7.73,;.8,7,;2.08,9.21,)|
52828 OC(=O)c1ccccc1-n1c2ccccc2c2ccccc12 |(10.62,3.12,;9.85,1.79,;10.62,.46,;8.31,1.79,;8.31,3.33,;6.97,4.1,;5.64,3.33,;5.64,1.79,;6.97,1.02,;6.97,-.52,;5.73,-1.43,;4.16,-1.07,;3.08,-2.25,;3.58,-3.78,;5.15,-4.1,;6.2,-2.89,;7.74,-2.89,;8.8,-4.1,;10.37,-3.78,;10.86,-2.25,;9.78,-1.07,;8.22,-1.43,)|
52829 c1ccc(nc1)-c1nc(nc(n1)-c1ccccn1)-c1ccccn1
52830 COC1C(O)CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(O)=O
52831 Cc1ccc(cc1)N=Nc1c(O)ccc2nn[nH]c12 |w:8.9|
52832 CCCn1cc2CC3C(CC(C)CN3C)c3cccc1c23
52833 CCNc1nn2ccccc2c1C=C(C#N)C(=O)OCC
52834 O[As](O)(=O)c1ccc(cc1)-c1ccc(c(c1)[N+]([O-])=O)[As](O)(O)=O
52835 O=C1c2nc[nH]c2C(=O)c2ccccc12
52836 CCOP(=O)(OCC)C(Nc1cccc(c1)[N+]([O-])=O)c1ccccc1
52837 CCCCN1C(=O)NC(=O)C(=CNNC(=O)c2ccncc2)C1=O |w:11.11|
52838 [#6]-[#6]-[#7]-[#6](=S)-[#7](-[#6])-[#6]-[#6]-c1cc2-[#8]-[#6]-[#8]-c2c(-[#8]-[#6])c1\[#6]=[#6]-1/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-1=O
52839 CSc1nc2[nH]c(=S)[nH]c2c(=S)[nH]1
52840 Nc1cccc2ccc(cc12)[As](O)(O)=O
52841 Cc1ccc(Oc2nc(nc3ccccc23)-c2ccccn2)cc1
52842 CC1(C)CC(=O)C2=C(C1)OC(N=CN1CCCC1)=C(C#N)C2c1ccccc1 |w:11.11,c:6,t:19|
52843 Nc1ccc(Nc2ccccc2)c(c1)S(O)(=O)=O
52844 NS(=O)(=O)c1ccc(cc1)N=Nc1c[nH]c(=O)c(O)c1 |w:10.10|
52845 Cc1ccc(cc1)C(=O)Cc1nc2cc(C)ccc2oc1=O
52846 NC(=Nc1ccc(N)cc1)C(N)=Nc1ccc(N)cc1 |w:2.2,12.13|
52847 CCCCCCN1C(=S)NC(=O)C(=CNc2ccccc2N2CCOCC2)C1=O |w:13.13|
52848 COc1cc(OC)c(\C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1OC
52849 Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCN(CC1)C(=O)c1ccco1
52850 COc1cc(ccc1OCCN1CCOCC1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:26|
52851 CCN(CC)c1ccc(C=NNC(=O)c2ccco2)c(O)c1 |w:10.10|
52852 Cc1cc(\C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(cc1)C(O)=O
52853 Cc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O
52854 Oc1c(C=Nc2ccccc2Cl)[nH]c2ccccc12 |w:4.4|
52855 Oc1c2C3CCCN3[C@H](C(=O)c3ccccc3)c2c(O)n1-c1ccc(F)cc1
52856 CSc1nnc(SCc2nc3sc(C(O)=O)c(C)c3c(=O)[nH]2)s1
52857 [O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1=O
52858 Oc1ccc2ccccc2c1C=NNC=O |w:12.14|
52859 CCN1C\C(=C\c2cccs2)c2nc3ccccc3c(C(O)=O)c2C1
52860 CC(N=Nc1ccc(Cl)c(c1)C(O)=O)c1ccc[nH]1 |w:3.3|
52861 Cn1c2nc(NN=C(C#N)C(N)=O)[nH]c2c(=O)n(C)c1=O |w:6.5|
52862 COc1ccc(OC)c(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 |w:10.9|
52863 COc1cccc(C=NNC(=O)c2ccc(=O)[nH]n2)c1O |w:8.8|
52864 Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1 |w:7.7|
52865 Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(c1)C(O)=O
52866 CN1C(=O)NC(=O)\C(=C\c2ccc[nH]2)C1=O
52867 CC(=O)c1ccc(cc1)-c1ccc(C=C(Sc2nnc(C)[nH]2)C(O)=O)o1 |w:13.13|
52868 Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(cc1)C(O)=O
52869 COc1c[c-](C[NH+]=Nc2[nH]c(=O)nnc2C)cc([N+]([O-])=O)c1=O |w:6.5|
52871 Cc1nnc(SC(=Cc2ccc(o2)-c2cc(Cl)ccc2C)C(O)=O)[nH]1 |w:7.7|
52872 [O-][N+](=O)c1ccc(cc1)-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1
52873 Brc1ccc2=NC(=O)C(NNc3nnn[nH]3)=c2c1 |c:16,t:4|
52874 O=C(NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O)c1ccccc1 |w:4.3|
52875 COc1ccc(cc1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O
52876 COc1ccccc1-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O |(6.91,-2.31,;8.24,-1.54,;9.57,-2.31,;9.57,-3.85,;10.91,-4.62,;12.24,-3.85,;12.24,-2.31,;10.91,-1.54,;10.91,,;12.24,.77,;13.57,,;12.24,2.31,;10.91,3.08,;10.91,4.62,;9.57,2.31,;8.24,3.08,;6.91,2.31,;5.5,2.94,;4.47,1.79,;5.24,.46,;6.74,.78,;4.61,-.95,;3.08,-1.11,;5.52,-2.19,;9.57,.77,;8.24,,)|
52877 [H][C@]12CN(Cc3ccc(cc3)C(F)(F)F)[C@H](c3ccccc3)C11CC(C1)(C2c1ccccc1)c1ccc(cc1)C(=O)OC |wU:1.0,15.16,(11.35,-.65,;12.41,-1.42,;11.17,-2.33,;11.64,-3.78,;10.74,-5.03,;9.21,-4.87,;8.58,-3.46,;7.05,-3.3,;6.14,-4.55,;6.77,-5.95,;8.3,-6.11,;4.61,-4.38,;3.08,-4.22,;4.45,-5.92,;4.77,-2.85,;13.17,-3.78,;14.08,-5.03,;13.45,-6.44,;14.35,-7.68,;15.88,-7.53,;16.51,-6.12,;15.61,-4.87,;13.65,-2.33,;14.9,-1.42,;14.42,.04,;13.61,-1,;12.88,.04,;11.98,1.29,;12.6,2.69,;11.7,3.94,;10.17,3.78,;9.54,2.37,;10.44,1.13,;14.9,1.51,;16.4,1.83,;16.88,3.29,;15.85,4.43,;14.34,4.11,;13.87,2.65,;16.32,5.9,;15.29,7.04,;17.83,6.22,;18.31,7.68,)|
52878 [#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C([#6])([#6])[#8]-[#6]-2=O)cc1-[#8]-[#6]
52879 COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:11,30,t:9|
52880 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(OC=C2C1=O)c1ccc(OC)cc1 |c:16,19,t:14|
52881 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:27,t:4,6|
52882 CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:11,14,t:9|
52883 CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|
52884 CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 |c:30,t:4,6|
52885 COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:11,32,t:9|
52886 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CC=C)C=C2C1=O)c1ccc(OC)cc1 |c:16,22,t:14|
52887 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 |c:25,t:5,7|
52888 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:25,t:5,7|
52889 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 |c:30,t:7,9|
52890 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:27,t:7,9|
52891 COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:11,30,t:9|
52892 CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(OC=C2C1=O)c1ccc(OC)cc1 |c:12,15,t:10|
52893 CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCN1CCOCC1 |c:6,33,t:4|
52894 CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCC1 |c:6,33,t:4|
52895 CC1(OC(=O)c2cccs2)C(=O)C=C2C=C3CCCN3C=C2C1=O |c:22,t:13,15|
52896 CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CC1 |c:6,33,t:4|
52897 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CCCOC(C)C)C=C2C1=O)c1ccc(OC)cc1 |c:16,26,t:14|
52898 COc1ccc(N=Cc2c(O)n(-c3cccc(C)n3)c(=O)c3ccccc23)c(OC)c1 |w:6.5|
52899 COc1cccc(c1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O
52900 Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(CCO)c2c(=O)[nH]c1=O |w:5.4,7.6|
52901 Clc1ccc(cc1)C(=O)NNC(=O)c1cnccn1
52902 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccco2)C1=O |w:11.11|
52903 Fc1ccc(CCN2C(=O)NC(=O)C(=CNNC(=O)c3ccccc3)C2=O)cc1 |w:14.14|
52904 COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(OC)c1
52905 Cc1nnc(SC(C(O)=O)=C2C(=O)Nc3ccccc23)[nH]1 |w:10.19|
52906 O=C(NNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O)c1ccncc1 |w:4.3|
52907 CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:11.11|
52908 Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)o1)C(O)=O
52909 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1cccc(Br)c1
52910 Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(N)=O
52911 Cc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc2ccccc12
52912 COc1ccc(CC(=O)NNC2=Nc3cccc4cccc2c34)cc1 |t:11|
52913 O=S(=O)(N1CCOCC1)c1cccc(c1)-c1csc(n1)-c1cccnc1
52914 CCCCOC(=O)c1ccc(NN=C2C(=O)NC(=O)C(C#N)=C2C)cc1 |w:12.11,c:21|
52915 CCCCn1c(O)c(C(=O)C=Cc2ccc3OCOc3c2)c(=O)[nH]c1=O |w:10.9|
52916 S=C1NC2(CCS1)Oc1ccccc1C1CC(=NN21)c1ccccc1 |c:18|
52917 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O |w:11.11|
52918 OC(=O)c1cccc(Nc2c(cc([N+]([O-])=O)c3cccnc23)[N+]([O-])=O)c1
52919 OC(=O)c1ccccc1Nc1c(cc([N+]([O-])=O)c2cccnc12)[N+]([O-])=O
52920 CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
52921 CCOc1cc(\C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O
52922 CN1C(=O)C(=CN)C(C)=C(C#N)C1=O |w:5.5,t:8|
52923 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccc(F)cc1
52924 Cc1ccc(NNC2=c3cc(F)ccc3=NC2=O)cc1 |c:7,15|
52925 CCOC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2CN(C)CCc12
52926 Cc1ncc(C=C2C(=O)Nc3ccccc23)[nH]1 |w:5.4|
52927 COCc1cc(=O)n2[nH]c(cc2n1)-c1cccs1
52928 Clc1ccc(NN=C(C#N)C(=O)c2ccsc2)cc1 |w:6.5|
52929 NC(=O)c1snnc1-c1ccccc1
52930 Cn1nc(cc1-c1ccc(\C=C(/C#N)C(=O)c2ccccc2)s1)C(F)(F)F
52931 CN(C)Cc1cc(O)c(CN(C)C)cc1O
52932 CN(C)c1cc(oc(=O)c1Cl)-c1ccc(cc1)[N+]([O-])=O
52933 COc1cccc(F)c1C(=O)NC(=O)Nc1ccc2nc(C)oc2c1
52934 O=C(NNC(=O)c1ccccc1)c1csc(n1)-c1cccnc1
52935 Nc1c(oc2nc(cc(-c3ccco3)c12)-c1ccccc1)C(=O)NN=Cc1cccnc1
52936 COc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cn1
52937 COC(=O)c1cc(ccc1N1CCOCC1)-n1cccc1
52938 NC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
52939 OC(=O)c1cccn1-c1ccccc1C(O)=O
52940 OC(=O)c1cc(ccc1N1CCOCC1)-n1cccc1
52941 Nc1nnc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[nH]1
52942 Oc1ccc(CCN2C(=O)CNC2=S)cc1O
52943 COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2ccc(=O)oc12
52944 COc1cc(cc(OC)c1OC)C(CCN1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
52945 O[C@H]1[C@H](CP(=O)(Oc2ccccc2)O[C@@H]1COCc1ccccc1)NC(=O)C(Cl)(Cl)Cl
52946 OC(=O)Cc1ccc(O)c(O)c1
52947 C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
52948 CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:11,14,t:9|
52949 CC1(OC(=O)c2cnc3ccccc3n2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:21,24,t:19|
52950 COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:11,30,t:9|
52951 CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|
52952 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 |c:33,t:7,9|
52953 CCC(=O)OC1(C)C(=O)C=C2C=C(CCCCNC(=O)OC(C)(C)C)OC=C2C1=O |c:26,t:9,11|
52954 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:29,t:7,9|
52955 CC1(OC(=O)c2cccs2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:15,18,t:13|
52956 CC1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:17,20,t:15|
52957 CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:18,21,t:16|
52958 CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:26,t:4,6|
52959 CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|
52960 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CCc3ccccn3)C=C2C1=O)c1ccc(OC)cc1 |c:16,28,t:14|
52961 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:25,t:5,7|
52962 CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccc(Cl)nc3)C(=O)C2=CO1 |c:33,t:11,13|
52963 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:27,t:7,9|
52964 CC1(OC(=O)c2cccs2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|
52965 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)c1ccsc1 |c:15,18,t:13|
52966 CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CO1 |c:38,t:12,14|
52967 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|
52968 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:27,t:7,9|
52969 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(C=C2C1=O)c1ccc(CO)cc1 |c:22,t:13,15|
52970 CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:24,t:4,6|
52971 CCCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CO1 |c:24,t:4,6|
52972 COC(=O)CCCC1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1 |c:19,t:7,9|
52973 CCC(=O)OC1(C)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:11,14,t:9|
52974 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 |c:24,t:4,6|
52975 CCC(=O)OC1(C)C(=O)C=C2C=C(CCCC(=O)OC)OC=C2C1=O |c:21,t:9,11|
52976 CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:15,18,t:13|
52977 CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:31,t:11,13|
52978 CC1(OC(=O)c2ccc(Cl)nc2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:17,20,t:15|
52979 CC1(OC(=O)c2cnc3ccccc3n2)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:21,24,t:19|
52980 CC1(OC(=O)c2ccco2)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:15,18,t:13|
52981 CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:31,t:11,13|
52982 CC(C)(C)OC(=O)NCCCCC1=CC2=CC(=O)C(C)(OC(=O)c3ccco3)C(=O)C2=CO1 |c:32,t:12,14|
52983 COc1ccc(cc1)C1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1 |c:21,t:9,11|
52984 CCCCC1=CC2=CC(=O)C(C)(O)C(=O)C2=CO1 |c:16,t:4,6|
52985 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CO1 |c:20,t:4,6|
52986 CC1(O)C(=O)C=C2C=C(OC=C2C1=O)C1CC1 |c:7,10,t:5|
52987 CCCN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
52988 CN1CCc2cc(O)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
52989 CN(C)C1C2CC3Cc4c(ccc(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C
52990 C1Oc2n(nc3ccccc23)-c2ccc(cc12)C#Cc1ccccc1
52991 CC[C@H](C)C=C(C)\C=C\C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO1 |c:11,25,t:9|
52992 Oc1cc(O)c2C(=O)CC(=O)C(=O)c2c1O
52993 FCCNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:21|
52994 FC(F)(F)c1ccc2NC(C3CC=CC3c2c1)C(=O)NCc1ccccn1 |c:12|
52995 CC(C)CNC(=O)C1Nc2ccccc2C2C=CCC12 |c:17|
52996 FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCc1ccccn1 |c:13|
52997 COCCNC(=O)C1Nc2ccc(cc2C2C=CCC12)C(F)(F)F |c:17|
52998 FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NC1CC1 |c:13|
52999 CC(C)CNC(=O)C1Nc2ccc(cc2C2C=CCC12)C(F)(F)F |c:17|
53000 COCCNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:22|
53001 CCOC(=O)C1Nc2ccc(C)cc2C2C=CCC12 |c:16|
53002 FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCCOc1ccccc1 |c:13|
53003 COC(=O)CNC(=O)C1Nc2ccccc2C2C=CCC12 |c:18|
53004 Cc1ccc2NC(C3CC=CC3c2c1)C(=O)NCCCN1CCOCC1 |c:9|
53005 FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCCCN1CCOCC1 |c:13|
53006 CCOC(=O)C1Nc2c(F)cc(C)cc2C2C=CCC12 |c:17|
53007 FC(F)(F)Oc1ccc2NC(C3CC=CC3c2c1)C(=O)NCc1ccccc1 |c:13|
53008 COC(=O)CNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:23|
53009 CCOC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:20|
53010 CC(C)CNC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:22|
53011 CCOC(=O)C1Nc2ccc(cc2C2C=CCC12)C(F)(F)F |c:15|
53012 Oc1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1O
53013 Cc1ccc(Nc2ccc(ccc2=O)[N+]([O-])=O)cc1
53014 CCOc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
53015 COc1cc(cc2OCOc12)C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:20|
53016 OC(=O)c1ccccc1N(c1ccccc1)c1ccccc1
53017 CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1
53018 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|
53019 CO[C@H]1O[C@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O
53020 COc1cc(\C=C2/S\C(=N\C)N(C)C2=O)ccc1O
53021 CCCCN(C)C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
53022 Clc1cccc(Cl)c1\C=C\C(=O)N1CCOCC1
53023 OC(=O)COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:10.10|
53024 COc1ccccc1N1C(=O)S\C(=C/c2ccc(C)s2)C1=O
53025 COc1cc(ccc1OCc1ccccc1)C(c1c([nH]c2ccccc12)C(O)=O)c1c([nH]c2ccccc12)C(O)=O
53026 OC(=O)c1[nH]c2ccccc2c1C(c1c([nH]c2ccccc12)C(O)=O)c1cc(Cl)cc(c1O)[N+]([O-])=O
53027 CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|
53028 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c(C)n1-c1ccc(C(O)=O)c(Cl)c1 |w:4.3|
53029 COc1ccccc1N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:15.16|
53030 COc1cccc(OCCn2cc(C=O)c3ccccc23)c1
53031 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(F)c2)c(C)n1-c1ccc(C(O)=O)c(Cl)c1 |w:4.3|
53032 CN(C)c1ccc(\C=C2\OC(=S)N(C)C2=O)cc1
53033 COc1ccc(C=CC(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc12 |w:6.5|
53034 Oc1ccc2ccccc2c1C=NNC(=O)Nc1ccccc1 |w:12.14|
53035 Cc1[nH][nH]c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:8.9|
53036 Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(F)c2)o1 |w:5.4|
53037 Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1O
53038 COc1ccc(cc1)C1CC(=O)C(=CNCCCO)C(=O)C1 |(9.39,8.82,;10.16,7.48,;9.39,6.15,;10.16,4.82,;9.39,3.48,;7.85,3.48,;7.08,4.82,;7.85,6.15,;7.08,2.15,;5.75,1.38,;5.75,-.16,;4.41,-.93,;7.08,-.93,;7.08,-2.47,;5.75,-3.24,;5.75,-4.78,;4.41,-5.55,;4.41,-7.09,;3.08,-7.86,;8.41,-.16,;9.75,-.93,;8.41,1.38,)|
53039 CN(C(C)=O)c1ccc(cc1)N=Nc1c(C)[nH]n(C(N)=S)c1=O |w:12.13|
53040 [#8]-[#6](=O)-c1ccccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=O)-c2ccccc2)-c2ccccc2)o1
53041 OC(C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O)(c1ccccc1)c1ccccc1
53042 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(Cl)c2C)c(C)n1-c1cccc(C(O)=O)c1C |w:4.3,(12.25,5.1,;11.35,3.86,;11.82,2.39,;10.58,1.49,;10.58,-.05,;11.91,-.82,;13.25,-.05,;13.25,1.49,;14.58,-.82,;14.58,-2.36,;15.91,-3.13,;13.25,-3.13,;11.91,-2.36,;10.58,-3.13,;13.25,-4.67,;14.58,-5.44,;14.58,-6.98,;13.25,-7.75,;11.91,-6.98,;10.58,-7.75,;11.91,-5.44,;10.58,-4.67,;9.33,2.39,;7.87,1.92,;9.81,3.86,;8.9,5.1,;9.53,6.51,;8.62,7.75,;7.09,7.59,;6.47,6.19,;4.93,6.03,;4.03,7.27,;4.31,4.62,;7.37,4.94,;6.75,3.53,)|
53043 COc1cccc(NC(=O)c2ccccc2Br)c1
53044 CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(NC(C)=O)C1=O
53045 Clc1cc2OCOc2cc1C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:19|
53046 CCOC(=O)C1Nc2ccc(Br)cc2C2C=CCC12 |c:16|
53047 Oc1nc(=O)s[c-]1C1=c2cc(ccc2=[NH+]C1=O)[N+]([O-])=O |c:8,15|
53048 [O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccc3OCOc3c2)c1=O
53049 Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1C)C(O)=O |(3.08,.15,;4.54,.63,;5.02,2.09,;6.56,2.09,;7.47,3.34,;6.84,4.75,;5.33,5.07,;5.17,6.6,;3.84,7.37,;6.58,7.23,;7.61,6.08,;9.14,6.24,;7.04,.63,;8.5,.15,;5.79,-.27,;5.79,-1.81,;7.12,-2.58,;7.12,-4.12,;5.79,-4.89,;4.46,-4.12,;4.46,-2.58,;3.12,-1.81,;5.79,-6.43,;7.12,-7.2,;4.46,-7.2,)|
53050 CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(C)o2)C1=O |w:16.17|
53051 COc1ccc(N2C(=S)NC(=O)C(=Cc3ccc(C)o3)C2=O)c(OC)c1 |w:13.13|
53052 COc1ccc(cc1)-n1c(NNC(C)=O)nc2sc3CCCCc3c2c1=O
53053 Brc1cc2OCOc2cc1C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:19|
53054 [O-][N+](=O)c1cc(ccc1Cl)-c1ccc(\C=N\n2cnnc2)o1
53055 OCCN(CCO)c1cccc2C(=O)c3ccccc3C(=O)c12
53056 CN1C(=O)NC(C(C(=O)OCc2ccccc2)=C1C)c1ccccc1[N+]([O-])=O |c:17|
53057 CN1C(=O)C(=NNc2ccccc2C)c2ccccc12 |w:5.5|
53058 COc1cc(N=Cc2c(O)c3ccccc3oc2=O)c(OC)cc1Cl |w:5.4|
53059 [O-]c1ccccc1\N=c1/ccc([N+]([O-])=O)c2[nH]o[nH+]c12
53060 COc1ccc(OC)c(c1)N=Cc1c(O)c2ccccc2oc1=O |w:10.10|
53061 CCCCN1C(=S)S\C(C1=O)=C1/Sc2ccc(OC)cc2N1CC
53062 COc1cc2OCOc2cc1C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2 |c:20|
53063 CCN1\C(Sc2ccc(OC)cc12)=C1\SC(=S)N(CC=C)C1=O
53064 [#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)c2ccccc12
53065 CCOC(=O)C1Nc2ccc(cc2C2C=CCC12)C(=O)OCC |c:15|
53066 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc2OCOc2c1 |c:6|
53067 Oc1c(Br)cc(Br)c(C=Nn2c(n[nH]c2=S)-c2ccccc2)c1Br |w:9.9|
53068 N=C1OC2=C(C(C1C#N)c1ccc3OCOc3c1)C(=O)CCC2 |c:3|
53069 Oc1ccc(cc1O)-c1csc(Nc2ccccn2)n1
53070 CCOC(=O)c1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
53071 CN1C(=O)N(C)C(=O)C(=Cc2c[nH]c3ccccc23)C1=O |(12.75,-1.01,;11.73,.13,;12.2,1.6,;13.71,1.91,;11.18,2.74,;11.65,4.21,;9.67,2.43,;8.64,3.57,;9.19,.96,;7.68,.64,;7.2,-.82,;8.1,-2.06,;7.2,-3.3,;5.75,-2.83,;4.41,-3.6,;3.08,-2.83,;3.08,-1.29,;4.41,-.52,;5.75,-1.29,;10.22,-.19,;9.74,-1.65,)|
53072 CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
53073 ClCc1nc2ccccc2n1Cc1ccccc1
53074 [#6]-[#8]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)c2ccccc12
53075 O=C1C=C(Nc2cccc3cccnc23)c2ccccc2C1=O |t:2|
53076 Cc1cc(nc(N=NCc2ccc(O)cc2O)n1)-c1ccccc1 |w:6.5|
53077 CCN1\C(Sc2ccccc12)=C1\SC(=S)N(NC(C)=O)C1=O
53078 COC(=O)c1ccccc1-n1c(CCC(O)=O)ccc1-c1ccccc1 |(3.72,-4.72,;5.23,-4.45,;5.76,-3,;4.77,-1.82,;7.28,-2.73,;7.28,-4.27,;8.61,-5.04,;9.94,-4.27,;9.94,-2.73,;8.61,-1.96,;8.61,-.42,;7.36,.48,;5.94,1.06,;5.72,2.58,;4.29,3.16,;4.08,4.69,;3.08,2.21,;7.84,1.95,;9.38,1.95,;9.86,.48,;11.32,.01,;11.64,-1.5,;13.11,-1.98,;14.25,-.95,;13.93,.56,;12.46,1.04,)|
53079 Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(F)cc2)o1 |w:5.4|
53080 CCCc1c(O)nc(SCC(=O)N2CCCCC2)[nH]c1=O
53081 CCOC(=O)C1Nc2ccc(cc2C2C=CCC12)C(O)=O |c:15|
53082 Cc1ccc(Cl)c2=C(NNc3ccccc3)C(=O)N=c12 |c:6,t:19|
53083 CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:16.17|
53084 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1cccc(c1)C(O)=O |w:10.10|
53085 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)S(N)(=O)=O |w:10.10|
53086 Cc1ccccc1NC(=O)C(=C\c1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O)\C#N
53087 O=C1NC(=S)N(C(=O)C1=Cc1ccco1)c1ccccc1 |w:9.10|
53088 Cc1ccc2nc(cn2c1)-c1ccc(O)c(O)c1
53089 Oc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1
53090 OC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(F)cc2)c2ccccc12 |w:7.6|
53091 Oc1[nH+]c(\C=C\[c-]2ccc(=O)c(O)c2)[nH]c(=O)c1[N+]([O-])=O
53092 COc1c(O)cccc1[C@@H](O)C1CCN(CCc2ccc(F)cc2)CC1
53093 COc1cc(\C=C2\N=C(OC2=O)c2ccccc2)c(F)cc1OCc1ccccc1 |c:7|
53094 CC1(C)c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccc(F)cc3F)c(=O)n12 |(3.61,-.53,;5.15,-.53,;4.38,.81,;5.15,-2.07,;4.01,-3.09,;4.64,-4.49,;3.97,-5.94,;4.89,-7.23,;6.48,-7.07,;7.12,-5.61,;6.16,-4.33,;6.48,-2.84,;7.82,-2.07,;7.82,-.53,;8.95,.5,;10.46,.18,;8.33,1.9,;9.1,3.23,;8.33,4.57,;9.1,5.9,;10.64,5.9,;11.41,7.23,;11.41,4.57,;10.64,3.23,;11.41,1.9,;6.81,1.74,;5.78,2.89,;6.48,.24,)|
53095 O=C(C1CCN(CC1)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1)N1CCCCC1
53096 COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12 |w:8.7|
53097 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1c(Cl)cc(cc1Cl)[N+]([O-])=O |w:10.10|
53098 CC(C)(C)c1ccc(\C=C2/Oc3cc(O)ccc3C2=O)cc1
53099 Oc1ccc(cc1\C=C1/S\C([N-]C1=O)=[NH+]\c1ccccc1Cl)[N+]([O-])=O
53100 Oc1cccc(C=NN=Cc2cccc(O)c2O)c1O |w:7.7,9.9|
53101 COc1ccc(\C=C2/N=C(C)OC2=O)cc1OC |t:8|
53102 C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
53103 Oc1ccc(cc1O)C1=CSC2=NCCN12 |t:9,12|
53104 Cc1cc(O)cc2O\C(=C/c3ccco3)C(=O)c12
53105 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccccc1[N+]([O-])=O
53106 CN(C)Cc1c(O)cc(=C)c2c(O)c(=Cc3ccco3)oc12 |w:14.14|
53107 Oc1ccc(cc1O)C1C[C@H]2CC[C@@H]1C2 |TLB:4:8:14:12.11|
53108 COC(=O)c1ccccc1NCc1cc(=O)oc2cc(O)c(O)cc12
53109 COc1ccc(cc1OC)-c1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O
53110 OCCCNc1ncnc2sc3CN(Cc4ccccc4)CCc3c12
53111 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(Br)cc1
53112 Cc1cc2oc(=O)c(CC(=O)NCCCO)c(C)c2c2occ(c12)C(C)(C)C
53113 COc1ccccc1-c1cnn2c(NCc3ccccc3)cc(C)nc12
53114 OC(=O)C1Nc2c(ccc(Cl)c2C2C=CCC12)C(F)(F)F |c:14|
53115 Cc1ccc(cc1)-c1ccc(CCC(O)=O)n1-c1cccc(c1)C(O)=O
53116 CCOC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccccc1
53117 Cc1ccc(cc1)-c1ccc(CCC(O)=O)n1-c1ccc(cc1)C(O)=O
53118 COC(=O)c1ccccc1-n1c(CCC(O)=O)ccc1-c1ccc(F)cc1 |(3.72,-4.72,;5.23,-4.45,;5.76,-3,;4.77,-1.82,;7.28,-2.73,;7.28,-4.27,;8.61,-5.04,;9.94,-4.27,;9.94,-2.73,;8.61,-1.96,;8.61,-.42,;7.36,.48,;5.94,1.06,;5.72,2.58,;4.29,3.16,;4.08,4.69,;3.08,2.21,;7.84,1.95,;9.38,1.95,;9.86,.48,;11.32,.01,;11.64,-1.5,;13.11,-1.98,;14.25,-.95,;15.71,-1.42,;13.93,.56,;12.46,1.04,)|
53119 CCOC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccc(F)cc1
53120 CCOc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(C)C(O)=O
53121 COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16|
53122 COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(C)o2)C1=O |w:15.16|
53123 [#6]=[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12
53124 COc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)cc2O)s1 |w:19.19|
53125 Brc1ccc2NC(=O)\C(=C3\SC(=O)NC3=O)c2c1
53126 Oc1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cc1
53127 OC(=O)c1cccc(NC(=S)NC(=O)C=Cc2ccco2)c1 |w:15.15|
53128 Oc1cc2OC(=N)C(C#N)C(c3ccccc3F)c2cc1Cl
53129 CN1C(=O)c2cccc3c(N)ccc(C1=O)c23
53130 Cc1ccn2cc(nc2c1)-c1ccc(O)c(O)c1
53131 Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12
53132 Oc1ccc(cc1O)-c1cn2ccccc2n1
53133 OC(=O)CCC(=O)NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
53134 [#6]-[#8]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12
53135 N1N=C(N=NC1c1ccccn1)c1ccccn1 |c:1,3|
53136 CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1
53137 COc1cc(cc2OCOc12)C1C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:20|
53138 COc1ccc2[nH]c3C(NCCc3c2c1)c1ccc(o1)[N+]([O-])=O
53139 OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:14.14|
53140 CN1C(=O)N(C)C(=O)C(=Cc2cc3ccccc3[nH]c2=O)C1=O |(8.41,3.56,;7.08,2.79,;5.75,3.56,;5.75,5.1,;4.41,2.79,;3.08,3.56,;4.41,1.25,;3.08,.48,;5.75,.48,;5.75,-1.06,;7.08,-1.83,;8.41,-1.06,;9.75,-1.83,;11.13,-1.01,;12.52,-1.8,;12.52,-3.4,;11.13,-4.2,;9.75,-3.37,;8.41,-4.14,;7.08,-3.37,;5.75,-4.14,;7.08,1.25,;8.41,.48,)|
53141 O=C1c2[nH]c(=O)[nH]c2C(=O)c2ccccc12
53142 Cc1cc(C)nc(NN2C(=O)C=CC2=O)n1 |c:11|
53143 COc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O
53144 COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1CN=Nc1ccccc1 |w:18.19|
53145 CCN(CC)C(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O |c:15|
53146 Oc1ccc(N=Nc2ccccc2-c2nnn[nH]2)c(O)c1 |w:6.6|
53147 CN1C(=O)S\C(=C/c2cc(C)n(c2C)-c2cccc(c2)C(O)=O)C1=O
53148 CN(C)c1ccc(C=NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:19|
53149 Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=NNC(=O)c1ccc(O)cc1O |w:15.17|
53150 Oc1cc([O-])ccc1\C=[NH+]\NC(=O)CNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
53151 CCCCN1C(=O)NC(=O)\C(=C\c2c[nH]c3ccccc23)C1=O
53152 CN1C(=O)NC(C2=C1CCCC2=O)c1ccccc1[N+]([O-])=O |c:6|
53153 COc1ccc(\C=C\c2ccc3c(Br)ccc(O)c3n2)cc1
53154 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(C)cc2)c(C)n1-c1ccc(cc1)C(O)=O |w:4.3|
53155 Brc1ccc(cc1)C1c2c(Oc3[nH]c(=S)[nH]c(=O)c13)[nH]c(=S)[nH]c2=O
53156 COc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1 |w:13.13|
53157 COC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccccc1
53158 COC(=O)c1ccc(cc1)-n1c(CCC(O)=O)ccc1-c1ccc(C)cc1
53159 OC(=O)CCc1ccc(-c2ccccc2)n1-c1ccc(cc1)C(O)=O
53160 OC(=O)CCc1ccc(-c2ccccc2)n1-c1cccc(c1)C(O)=O
53161 Clc1cccc(NNC2=c3ccccc3=NC2=O)c1 |c:8,15|
53162 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(c1)C(O)=O |w:4.3|
53163 Cc1cccc(NNC2=c3cc(Br)ccc3=NC2=O)c1 |c:8,16|
53164 CN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12
53165 Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12
53166 COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cn1
53167 CCOc1ccccc1N1CCN(CC1)C(=O)CNC(=O)c1ccccc1F
53168 CCOc1ccccc1NC(=O)Nc1ccc(OC)nc1
53169 CC(=NN=C(C)c1ccccc1O)c1ccccc1O |w:2.2,4.4|
53170 [O-][N+](=O)C1C(=O)c2cccc3cccc(C1=O)c23
53171 OC(=O)C(=O)C(=C/c1ccsc1)\c1ccc2ccccc2n1
53172 Cc1cccc(c1)C(=O)NCCCNC(=O)c1cccc(C)c1
53173 COc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
53174 c1coc(c1)-c1nnc(nn1)-c1ccco1
53175 CC(=O)Nc1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1
53176 COc1ccc(NC(=O)\C=C\c2cccc(Br)c2)cn1
53177 CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(C)n(c2C)-c2cc(cc(c2)C(O)=O)C(O)=O)C1=O |w:15.16|
53178 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
53179 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
53180 Oc1cc(cc(O)c1O)C(=O)NN=Cc1cccnc1
53181 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O |w:4.3|
53182 CC(N=Nc1ncnc2sc(C)c(C)c12)c1ccccn1 |w:3.3|
53183 CCC1(NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O)c1ccccc1
53184 Cc1ccc2=NC(=O)C(NNc3ccccc3C)=c2c1 |c:18,t:4|
53185 FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23
53186 COc1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cn1
53187 Oc1ccc(C=NN2CCCCC2)c(O)c1O |w:6.6|
53188 ClC(Cl)(Cl)COS(=O)(=O)N[C@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc12
53189 COCCn1c(N)c(NCc2ccccc2)c(=O)[nH]c1=O
53190 CCOc1ccc2ccccc2c1C1NC(=O)N(C)C(C)=C1C(=O)OCCOC |c:22|
53191 Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1O |w:12.13|
53192 Nc1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
53193 CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc2ncccc12
53194 NC(=O)c1c(NC(=O)c2ccccc2)sc2CN(Cc3ccccc3)CCc12
53195 NC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2CN(Cc3ccccc3)CCc12
53196 CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2C(N)=O
53197 CC(C)OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
53198 COc1ccc(cc1OC)-c1cc2ccc(OCC(N)=O)cc2oc1=O
53199 CCOC(=O)N1CCN(CC(=O)c2ccc(O)cc2O)CC1
53200 Cc1ccc(NC(=S)c2ccc3ccccc3n2)c(C)c1
53201 Nc1cccc2C(=O)N(Cc3nnc(o3)-c3ccccc3Br)C(=O)c12
53202 [#7]-[#6](=O)-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12
53203 [#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12
53204 CCOc1cc(C=C2SC(Nc3ccc(CC)cc3)=NC2=O)ccc1OCC(O)=O |w:6.5,c:19|
53205 O=C(NN=CC1=CC(=O)C(=O)CC1)NN=CC1=CC(=O)C(=O)CC1 |w:3.2,14.14,t:5,17|
53206 Nc1nc(cs1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O |c:19|
53207 Fc1cccc(c1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|
53208 CCOc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
53209 COc1ccccc1NCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13|
53210 OC(=O)CCNc1ccc(NCCC(O)=O)c2C(=O)c3ccccc3C(=O)c12
53211 CN1c2ccc(C=O)c3c(C=O)ccc(N(C)C1(C)C)c23
53212 COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O |w:15.16|
53213 Fc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15|
53214 S=c1[nH]nc2n1c1ccccc1[nH]c2=S
53215 Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2)c2ccccc12 |w:4.3|
53216 COc1ccc(OC)c(c1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:17.18|
53217 COc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(C)o2)C1=O |w:15.16|
53218 Nc1ccc2nc([nH]c2c1)-c1cccc(n1)-c1nc2ccc(N)cc2[nH]1
53219 CN1C(=O)N(C)C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O |(14.09,-1.01,;13.06,.13,;13.54,1.6,;15.04,1.91,;12.51,2.74,;12.99,4.21,;11,2.42,;9.97,3.57,;10.52,.96,;9.02,.64,;8.54,-.82,;9.44,-2.06,;8.54,-3.3,;7.08,-2.83,;5.75,-3.6,;4.41,-2.83,;4.41,-1.29,;3.08,-.52,;5.75,-.52,;7.08,-1.29,;11.55,-.19,;11.07,-1.65,)|
53220 OC(=O)\C=C\C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C#N
53221 Cc1cc(=O)[nH]c(N=NCc2ccc(O)c(O)c2)n1 |w:7.6|
53222 CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:16.17|
53223 COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)N(C)C)C1=O |w:15.16|
53224 [#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12
53225 CC(=O)c1ccc(cc1)C(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(N)=O
53226 CCC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
53227 CN(C)c1ccc(C=NN=C2NS(=O)(=O)c3ccccc23)cc1 |w:9.8,7.6|
53228 COc1cc(cc(OC)c1C)C(=O)NC(c1ccccc1)c1ccccc1
53229 NC(=O)CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC2CCCCCC2)c(c1)[N+]([O-])=O
53230 COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1ccccc1)=NCC(C)C |w:24.27,c:4|
53231 Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc(Br)cc1
53232 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6](=O)-[#7]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)c3ccccc23)-[#6]-1=O
53233 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6]-[#6](=O)-[#7]-3-[#6]-[#6]-[#6]-[#6]-3)c3ccccc23)-[#6]-1=O
53234 CC(C)(C)c1ccc(OCc2ccc(o2)C(=O)Nc2cccnc2)cc1
53235 Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc1
53236 CC1CCCN(C1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
53237 CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
53238 FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCC1CCCO1)-c1cc(Br)cs1
53239 Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N
53240 COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c(OC)c1 |w:13.13|
53241 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N(C)c1ccc(C)cc1
53242 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(OC)c(OC)c3)C(=O)Nc2c1
53243 CC(C(=O)N1CCOCC1)n1nc(C)c2c(C)n(nc2c1=O)-c1ccccc1
53244 CC(C)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1
53245 Cn1ccc(cc1)=Nc1ccc(NC(=O)c2ccc([N-]c3cc[n+](C)c4ccc(cc34)[N+]([O-])=O)cc2)cc1 |(4.41,-10.01,;4.41,-8.47,;5.75,-7.7,;5.75,-6.16,;4.41,-5.39,;3.08,-6.16,;3.08,-7.7,;4.41,-3.85,;5.75,-3.08,;5.75,-1.54,;7.08,-.77,;8.41,-1.54,;9.75,-.77,;9.75,.77,;8.41,1.54,;11.08,1.54,;11.08,3.08,;12.42,3.85,;13.75,3.08,;15.08,3.85,;15.08,5.39,;13.75,6.16,;13.75,7.7,;15.08,8.47,;15.08,10.01,;16.42,7.7,;17.79,8.52,;19.19,7.73,;19.19,6.13,;17.79,5.34,;16.42,6.16,;20.52,5.35,;21.86,6.12,;20.51,3.81,;13.75,1.54,;12.42,.77,;8.41,-3.08,;7.08,-3.85,)|
53246 COc1ccc(OC)c(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CCN1CCOCC1
53247 Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)C(=O)NCCN1CCOCC1
53248 Cc1cccn2c1nc1n(Cc3ccccc3)c(=N)c(cc1c2=O)C(=O)NC1CCCCC1
53249 CSCC(C)N1CCC(CC1)N1CCC(CC1)C(=O)NCc1ccccn1
53250 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1OC
53251 CC1(C)CC(NC(=O)CSc2ccccn2)c2cnn(c2C1)-c1cccc(F)c1
53252 COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1
53253 COc1ccc(CCNC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc1OC
53254 Cc1ccc(NC(=O)CCS(=O)(=O)c2cc3OCC(=O)Nc3cc2Cl)cc1
53255 CN(c1cccc(C)c1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
53256 Cc1ccc(cc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1)[N+]([O-])=O
53257 CCc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3cccnc3)C2=O)cc1
53258 COCC1CCN(CC1)C(=O)CC1N(Cc2cccc(Oc3ccccc3)c2)CCNC1=O
53259 CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)N1CCOCC1
53260 CN(C)c1ccc(\C=C2/N=C(OC2=O)C(C)(C)C)cc1 |c:9|
53261 CSc1sccc1\C=C(\C#N)C(=O)c1ccco1
53262 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1O
53263 Clc1ccc(cc1)-c1nsc2c(ncnc12)N1CCN(CC1)C(=O)c1ccco1
53264 CCN1C(=O)NC(=O)\C(=C/c2cn(CC(O)=O)c3ccccc23)C1=O
53265 COCCNC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccccc2F)c2ccccc12 |w:11.10|
53266 OC(=O)c1cccc(c1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
53267 OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
53268 COc1cc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c(cc1OC)C(O)=O
53269 Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1
53270 CCOc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1ccc(C)cc1
53271 CCN1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C(C)c2ccc(Cl)cc2)CC1 |w:21.22|
53272 Cc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCC3CCCO3)c2=N)cc1
53273 [O-][N+](=O)c1ccccc1C(=O)NNC(=O)C(=O)CC(=O)c1ccccc1
53274 CC1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2cccs2)C1=O
53275 C=CCOc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1
53276 CCCOc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1
53277 O=[#6](-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c2ccccc12)-[#7]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#8]-1
53278 COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(C)s1
53279 Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
53280 CCCCc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 |c:21,t:13|
53281 Cc1ccc(CS(=O)Cc2ccc(o2)C(=O)N2CCN(CC2)c2ccccc2)cc1
53282 N=c1c(cc2c(nc3ccccn3c2=O)n1CCc1ccccc1)C(=O)NC1CCCCC1
53283 COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(OC)cc2)c2ccccc12 |w:8.7|
53284 CCOc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OCCOc1cccc(OC)c1 |w:6.5,c:13,t:10|
53285 O=C(Nc1ccnn1C1CCN(CC2CCC=CC2)CC1)c1ccccc1 |c:17|
53286 Cc1ccc(o1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccc(Br)c1
53287 Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N
53288 Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
53289 COc1ccccc1OCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13|
53290 OC(=O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O
53291 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)C(=O)NC1CCCCC1
53292 Cc1cccn2c1nc1n(CCc3ccccc3)c(=N)c(cc1c2=O)C(=O)NCC1CCCO1
53293 COc1ccc(\C=C2/SC(=S)N(CCC(=O)NC3CCCC3)C2=O)cc1OC
53294 CCOC(=O)C1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1
53295 Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCN(CC2)c2ccccn2)cc1
53296 Cc1cccn2c1nc1n(Cc3cccnc3)c(=N)c(cc1c2=O)S(=O)(=O)c1ccccc1
53297 O=c1c2ccccc2oc2ccc(NCCCn3ccnc3)cc12
53298 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(o2)-c2ccc(cc2)S(=O)(=O)[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-[#7]-1
53299 NC1=NC(=O)C(S1)=Cc1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |w:7.8,t:1|
53300 COc1ccccc1\C=C1\SC(=S)N(CCC(=O)Nc2cccnc2)C1=O
53301 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\C=C\c3ccccc3)C2=O)cc1
53302 CCc1ccc(cc1)C(=O)NNC(=O)c1ccc(=O)n(C)n1
53303 NS(=O)(=O)c1ccc(NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
53304 CCc1c(C)scc1C(=O)NNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
53305 Brc1ccc(cc1)S(=O)(=O)NNC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
53306 COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1\C=C1\C(=O)NC(=O)N(C)C1=O
53307 OC(=O)c1cccc(NC(=O)C(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
53308 CSCC(C)N1CCC(CC1)Oc1cccc(c1)C(=O)NCc1ccccn1
53309 CSCC(C)N1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
53310 CC(C)Cc1nnc(NC(=O)CCC(=O)N2CC(C)CC(C)C2)s1
53311 COc1ccc(CCNC(=O)c2cc3c(nc4c(C)cccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
53312 CC(=NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1cccc(O)c1 |w:2.2|
53313 Fc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1
53314 Clc1ccccc1Cn1c2nc3ccccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
53315 COCCn1c2nc3ccccn3c(=O)c2cc(c1=N)S(=O)(=O)c1ccc(Br)cc1
53316 CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(F)cc1
53317 CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Cl)c1
53318 Fc1ccc(cc1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(SCC=C)s1
53319 CCc1c(C)nc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O
53320 COc1ccc(CCn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1
53321 Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N
53322 N=c1c(cc2c(nc3ccccn3c2=O)n1CCc1ccccc1)C(=O)NCCN1CCOCC1
53323 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1ccccc1)C(=O)NC1CCCC1
53324 COc1ccccc1CCC(=O)OCc1csc(CC(=O)Nc2ccccc2C)n1
53325 COc1ccc(cc1CSCC(O)=O)C(=O)\C=C\c1ccc(cc1)-c1ccccc1
53326 CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)N1CCC(CC1)C(=O)NCC(=O)Nc1ccc(F)cc1
53327 O=C(N=C1SC2CS(=O)(=O)CC2N1c1ccccc1)C1CC1 |w:2.1|
53328 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1nc(no1)-c1cccc(C)c1
53329 Oc1ccc(CCC(=O)N\N=C\c2cc3OCOc3cc2[N+]([O-])=O)cc1O
53330 Brc1ccc(s1)C(=O)N1CCN(CC1)c1ccccn1
53331 COc1ccc(c(OC)c1)-c1cc(C(=O)NN=C(C)c2ccco2)c2ccccc2n1 |w:16.16|
53332 Clc1ccccc1C(=O)N=c1ccn(cc1)-c1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 |(7.08,8.09,;5.75,7.32,;4.41,8.09,;3.08,7.32,;3.08,5.78,;4.41,5,;5.75,5.78,;7.08,5,;8.41,5.78,;7.08,3.47,;8.41,2.7,;9.75,3.47,;11.08,2.7,;11.08,1.16,;9.75,.39,;8.41,1.16,;12.42,.39,;13.75,1.16,;15.08,.39,;16.46,1.21,;17.86,.42,;17.86,-1.19,;16.46,-1.98,;15.08,-1.16,;13.75,-1.93,;12.42,-1.16,;11.08,-1.93,;11.08,-3.47,;9.54,-3.47,;12.62,-3.47,;11.08,-5,;9.75,-5.78,;9.75,-7.32,;11.08,-8.09,;12.42,-7.32,;12.42,-5.78,)|
53333 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccccc2-[#8]S(=O)(=O)c2ccccc2)-[#6]-1=O
53334 COc1ccccc1C(=O)Nc1ccnn1C1CCN(CC1)C(C)CSC
53335 NC(=O)[C@@H]1CCCN1Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCc2ccccc2C1
53336 CN(C)c1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
53337 Cc1cc(ccc1-c1ccc([CH+][N-]NC(=O)c2ccc(Br)o2)o1)[N+]([O-])=O
53338 [O-][N+](=O)c1ccc(\C=C\C(=O)NNC(=O)c2ccc(F)cc2)o1
53339 CN(C)C1=NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O |t:3|
53340 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/NC(=S)NC2=O)o1
53341 Cc1ccc(NC(=O)COc2ccc(\C=C3\C(=O)NC(=O)N(CC=C)C3=O)cc2)cc1
53342 O=C(CNC(=O)\C=C\c1ccco1)NNC1=c2ccccc2=NC1=O |c:16,23|
53343 Cc1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1
53344 CC1=Nc2ccc(C)cc2\C1=C\c1c(N)n2nc(CC(=O)N3CCOCC3)sc2nc1=O |t:1|
53345 COc1c2OCOc2cc(CCN(C)C(=O)c2ccccc2)c1\C=C1\C(=O)NC(=O)N(CC=C)C1=O
53346 CCN(CC)c1ccc(\C=C2/C(=O)N=C3SC(CC(=O)N4CCCC4)=NN3C2=N)cc1 |c:25,t:13|
53347 Oc1ccccc1C(=O)N=NC=C1SC(=O)N=C1N1C=CC(C=C1)c1ccncc1 |w:12.13,10.11,c:17,21,24|
53348 NS(=O)(=O)c1ccc(cc1)-c1cccc(\C=C2/SC(=O)NC2=O)c1
53349 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(OCC=C)c1
53350 Fc1ccccc1C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nnc(SCC=C)s1
53351 CCCCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1nnc(C)s1
53352 [#7]\[#6](-[#7])=[#7]\[#7]-c1ccc(cc1)-[#7]=[#7]-[#6](-[#7])=S |w:11.11|
53353 COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
53354 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(cc1)[N+]([O-])=O
53355 CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccccc1
53356 CCCSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccccc1F
53357 CN(C)c1cccc2n(C)nc(NS(=O)(=O)c3cn(C)cn3)c12
53358 CSc1nnc(s1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(SC)cc1
53359 COc1cccc(\C=C2/SC(=S)N(CCCC(=O)NC3=NCCS3)C2=O)c1 |t:19|
53360 CN1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O
53361 Cc1cc(NC(=O)CSc2nc3cc(C)ccn3c(=O)n2)no1
53362 Cc1ccc(cc1C)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
53363 CNC(=O)c1c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2C)sc2CN(C)CCc12
53364 CCCOc1ccc(C=c2sc3nc(nn3c2=O)-c2ccco2)cc1OCC
53365 CC(=O)c1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1
53366 CCN1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O
53367 CC(=O)N1CCc2c(C1)sc(NC(=O)C1CCCN1S(=O)(=O)c1cccs1)c2C(N)=O
53368 CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc3ccccc3c1)c2C(N)=O
53369 CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC1CCCO1)c2C(N)=O
53370 COc1ccccc1N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NC(C)C)s1
53371 CCCCN(C(=O)c1ccc(o1)[N+]([O-])=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
53372 CCCn1c(N)c(N(CCOC)C(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)c(=O)[nH]c1=O
53373 Oc1ccccc1C(=O)NNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F
53374 Cc1ccc(NC(=O)CSc2nnc(N)s2)cc1S(=O)(=O)N1CCOCC1
53375 CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)Nc1ccc(NC(C)=O)cc1
53376 Clc1cnc(NC(=O)COC(=O)C2CCCC2)c(Cl)c1
53377 [O-][N+](=O)c1ccccc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1
53378 Oc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1
53379 N=c1c(cc2c(nc3ccccn3c2=O)n1Cc1cccnc1)S(=O)(=O)c1ccccc1
53380 [H][C@]1(c2cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O)[C@]1([H])c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(cc12)C(O)=O
53381 C[C@@H]1C2C(O)C3[C@H](N(C)C)C(=O)C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2C(=O)c2c(O)cccc12
53382 CN(C)[C@H]1C2C(O)C3C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
53383 Cc1ccc(cc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1)S(=O)(=O)Nc1ccccc1F
53384 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nnc(C)s1)c1cccc(OCC=C)c1
53385 CCc1cc(sc1C)C(=O)Nc1ccc(OC)nc1
53386 Cc1ccc(cc1C(=O)NNC(=O)c1ccccc1O)S(=O)(=O)Nc1ccccc1F
53387 Cc1cnc(cn1)C(=O)NNC(=O)c1ccc(Br)cc1
53388 Nc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
53389 CCOc1ccc(cc1)N=Nc1c2[nH]c(C)cc(=O)n2[nH]c1=O |w:10.11|
53390 Cc1cc(=O)n2[nH]c(=O)c(N=Nc3ccccc3)c2[nH]1 |w:10.9|
53391 CCc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc(o2)N2CCN(C)CC2)C1=O |w:15.16|
53392 CN1CCN(CC1)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2cccc(C)c2C)o1 |w:11.11|
53393 Cc1ncc(CO)c(CNNC(=O)C2=CC(=O)C(=O)C(=O)C2)c1O |t:13|
53394 Oc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|
53395 CCN(CC)c1ccc(\C=C2/C(=O)NC(=S)N(C)C2=O)o1
53396 COc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
53397 CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
53398 CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(OC)cc2OC)o1 |w:9.8|
53399 Oc1ccc(CN=Nc2ccc(Cl)nn2)c(O)c1O |w:7.7|
53400 [O-][N+](=O)c1ccc(Cl)cc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1
53401 CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1 |c:4|
53402 C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1Br |c:4|
53403 COc1ccc(Br)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:12|
53404 Cc1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:18|
53405 COc1ccc(cc1)C1CC(O)(Oc2c(C)ccc(C)c12)c1ccccc1
53406 COc1ccc(cc1)C1\C=C/CN(CC(=O)N1Cc1ccc(F)cc1)C(=O)c1ccccc1 |c:10|
53407 COc1ccccc1-c1cc(=O)c2c(O)ccc([N+]([O-])=O)c2o1
53408 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1
53409 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
53410 CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
53411 Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
53412 CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
53413 Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
53414 CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1cccc(C)c1)C(=O)OCc1ccccc1
53415 Cc1cccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1
53416 CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
53417 CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1
53418 CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
53419 COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1
53420 COC(=O)[C@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C
53421 C1CCC(CC1)c1nc(nc2ccccc12)-c1ccccc1
53422 COc1ccc2nc(nc(C3CCCCC3)c2c1)C1CCCCC1
53423 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(c2oc3c(-[#8])c(-[#8])ccc3c(=O)c2c1-[#8])C([#6])([#6])[#6]=[#6]
53424 O[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12
53425 CC1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C
53426 CC1Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C1(C)C |c:15|
53427 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#8]-c3c(-[#6]-2)ccc2-[#8]C([#6])([#6])[#6]=[#6]-c32)c(-[#8])cc1-[#8] |c:22|
53428 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6@@H]-2-[#6]-[#8]-c3c(-[#6]-2)ccc2-[#8]C([#6])([#6])[#6]=[#6]-c32)c(-[#8])c1 |c:24|
53429 [#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1oc1-c3cc(-[#8])c(-[#8])cc3-[#8]-[#6](\[#6]=[#6](\[#6])-[#6])-c1c2=O |c:11|
53430 null
53431 Cc1cccc(OCC(=O)Nc2ccncc2)c1
53432 OC(=O)c1c(NC(=O)c2ccccc2F)scc1-c1ccc(Br)cc1
53433 COc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C(O)=O
53434 O=C1C=C(N2CCCCC2)c2ccccc2C1=O |t:2|
53435 COc1cc(OC)c([C@H]2C=C(C)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |t:9,TLB:7:8:15:13,THB:11:10:15:13|
53436 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
53437 COc1cc(C)c(C(=O)CC(=O)c2c(C)cc(OC)cc2C)c(C)c1
53438 Brc1cc(nc(n1)-c1ccccc1)-c1ccccc1
53439 CN1CCN(CC1)C1Cc2ccc(Cl)cc2Sc2ccc(F)cc12
53440 COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 |t:7|
53441 Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
53442 Cc1c(oc2c(Cl)cc(C)cc12)C(=O)N1CCC(O)(CC1)c1ccccc1
53443 COc1ccc(cc1Cl)N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O
53444 Cc1n[nH]c(C)c1CCCCOc1ccc(C)cc1
53445 CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(O)c(c3)[N+]([O-])=O)c(=O)n2C1c1ccccc1OC |c:5,t:8|
53446 CC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1
53447 Oc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
53448 CN(N)c1nc(cc(n1)-c1ccc(C)cc1)-c1ccccc1
53449 Cc1ccccc1C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
53450 Cc1cccc(c1)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
53451 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)[N+]([O-])=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
53452 Cc1ccc(Cn2c(nc3ccccc23)C(CO)Nc2nc(cs2)-c2ccc(F)cc2)cc1
53453 OC(C(=O)N\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)(c1ccccc1)c1ccccc1
53454 COc1ccc(cc1)-n1c(C=Cc2ccc(O)c(OC)c2)nc2ccccc2c1=O |w:10.10|
53455 COc1ccc(cc1)N=Nc1cc(ccc1O)-c1ccccc1 |w:8.8|
53456 CC(C)c1ccc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1 |w:8.8|
53457 Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
53459 COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O
53460 CC(C)c1cc(C)ccc1OCCn1c2ccccc2[nH]c1=S
53461 CCOc1ccc(CN=Nc2cc(nc(C)n2)N2CCOCC2)c(O)c1 |w:9.9|
53462 COc1cccc(c1)C(=O)Oc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1OC |w:17.18|
53463 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(C=NNC(N)=S)cc1 |w:18.21,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
53464 COc1ccc(Nc2nc(NN)nc(Nc3ccc(OC)cc3)n2)cc1
53465 Oc1cccc(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c1
53466 Cc1c(Cl)cccc1-c1ccc(CNCc2ccccn2)o1
53467 CCCOc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
53468 COc1ccccc1-c1cc(nc(SCC(O)=O)c1C#N)-c1ccccc1
53469 CC(N=Nc1cc(nc(C)n1)N1CCCCC1)c1ccc(Br)cc1 |w:3.3|
53470 CCN(CC)c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N(CC)CC
53471 CCC1=NN(C(=O)c2ccccc2O)C(O)(C1)c1ccccc1 |t:2|
53472 Clc1cccc(Cl)c1C1Nc2cccc3cccc(N1)c23
53473 Cc1nc(N=NCc2ccc3OCOc3c2)sc1C |w:4.3|
53474 CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
53475 COc1cccc(CN=Nc2cc(ncn2)N2CCOCC2)c1O |w:9.9|
53476 CCCCn1c2ccccc2c(O)c(C(=O)NCCc2ccccc2)c1=O
53477 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc23)C(=O)C1 |t:8|
53478 CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
53479 CC(C)(C)c1ccc(O)c(c1)N=Cc1c(O)ccc2ccccc12 |w:11.11|
53480 COc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1
53481 CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1
53482 CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2Cl)c1=O
53483 Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccc(c1)[N+]([O-])=O
53484 CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1
53485 CC(=NNC(=O)c1ccc(C)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O |w:2.2|
53486 CCOC(=O)c1cc2sccc2n1Cc1ccccc1
53487 Fc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCCc1ccccc1)Cc1ccco1
53488 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
53489 NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCCc4sc3n12
53490 CCN(CC)CCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1ccccn1
53491 COc1ccc(Cc2nn3c(nnc3s2)-c2cc(OC)c(OC)c(OC)c2)cc1
53492 OC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
53493 COC(=O)c1ccccc1NC(=O)Nc1cc(C)cc(C)n1
53494 O=c1n2CCCc2nc2sc3CCCc3c12
53495 CN(Cc1ccccc1)c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
53496 CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)N1CCCC1
53497 Cc1cc(C)n(n1)-c1nc(Nc2ccccc2)nc(n1)-n1nc(C)cc1C
53498 COCC(=O)N1CCC(CC1)n1nnc2cc(F)ccc12
53499 FC(F)(F)c1cccc(CNC(=O)C2CCCN(C2)c2ncccn2)c1
53500 CC(C)(Nc1ccccc1)C#N
53501 CCOc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C |(8.47,-3.04,;8.47,-1.5,;9.81,-.73,;11.14,-1.5,;11.14,-3.04,;12.47,-3.81,;13.81,-3.04,;13.81,-1.5,;12.47,-.73,;12.47,.81,;11.23,1.71,;9.76,1.24,;8.62,2.27,;7.15,1.79,;6.83,.29,;6.01,2.82,;4.54,2.35,;3.08,1.87,;4.07,3.81,;5.02,.88,;11.7,3.18,;13.24,3.18,;13.72,1.71,;15.18,1.24,;15.66,-.23,;17.2,-.23,;17.68,1.24,;16.43,2.14,;16.43,3.68,)|
53502 Nc1nc(Nc2cccc3ccccc23)nc(n1)C1CCCC1=O
53503 C(c1ccc2OCOc2c1)n1cnnn1
53504 Nc1nc(SCC=C)ns1
53505 Cc1c([nH]c2ccc(OCc3ccccc3)cc12)C(=O)N1CCOCC1
53506 CC(C)(C)n1nnnc1C(N1CCCC2(CCCCC2)C1)c1ccc(cc1)C#N
53507 CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccco1
53508 COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1OC
53509 CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1
53510 CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1
53511 Cn1c2nc(SCc3cccnc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O
53512 Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C([O-])=O |t:9|
53513 CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C([O-])=O |t:5|
53514 CNC(=O)N(c1ccccc1)c1ccccc1
53515 CNC(=O)N(O)C1N(C)C(=O)N(CC(=O)OC)C1(C)C
53516 Cc1nc2C(O)c3ccccc3CCc2o1
53517 O=C(N1CCOCC1)c1ccc(=O)oc1
53518 CN1CCN(CCOc2ccccc2OCc2cc(C)on2)CC1
53519 Cc1ccc(cc1)C(=O)c1c[nH]nc1-c1cc(Cl)ccc1O
53520 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cccs1
53521 CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccc(C)cc1
53522 CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
53523 COc1ccc2c(c1)[nH]c1c2ncn(CC2CCCO2)c1=O
53524 CN(C)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1Cl
53525 CCC(C)[C@H](NC(=O)NCC1CCCO1)C(=O)OC
53526 CC(C)(C)OC(=O)N1CC(O)CC1C(=O)OCC(=O)c1ccc(Cl)cc1
53527 CC1(C)CC(=O)c2cnc(NC(=O)c3ccco3)nc2C1
53528 COn1cnnc1-c1ccccc1
53529 N=c1n(CCN2CCOCC2)cnc2sc3CCCCc3c12
53530 CCn1c2ccccc2c2nnc(SCC(=O)N3CC(C)OC(C)C3)nc12
53531 Fc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1Cl)C(=O)NCCCN1CCCC1=O
53532 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
53533 OC(=O)C1(CCC1)c1ccc(Cl)cc1
53534 OC1C(F)C(COC(=O)c2ccccc2)OC1n1cnc2c(NC(=O)c3ccccc3)ncnc12
53535 CCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1
53536 O=C(COC(=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1)NCc1ccco1
53537 COc1ccc(-c2n[nH]c(c2-c2cc3ccccc3o2)C(F)(F)F)c(O)c1
53538 Cc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCc1ccco1
53539 CCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12
53540 COc1ccccc1CNC(=O)Nc1cccs1
53541 COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccnc2)cc1
53542 FC(F)(F)c1ccc(Cl)c(NC(=O)C2CCN(CC2)c2nnc(s2)-n2cccc2)c1
53543 Clc1ccc2c(c1)[nH]c(=O)n(CCCC(=O)NCCN1CCN(CC1)c1ccccc1)c2=O
53544 CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCC(C)CC1
53545 COc1ccc(NC(=O)CN2CCN(CC2)c2ccccc2F)cc1
53546 Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1cccs1
53547 Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc2OCCOc2c1
53548 O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NCc1ccco1
53549 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O |c:5,TLB:30:7:2:6.5,THB:9:8:2:6.5|
53550 CCOC(=O)COc1ccc(cc1)C1NC(CS1)C(O)=O
53551 COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1
53552 COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NCc1ccccn1
53553 COc1ccc(Br)cc1C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccco1
53554 [H]C12C3C(C(=O)N(CC(=O)N4CCOCC4)C3=O)C([H])(c3ccccc13)c1ccccc21 |TLB:27:26:2.3:25.20,21:20:2.3:31.26,16:2:25.20:31.26,THB:30:31:2.3:25.20,24:25:2.3:31.26,4:3:25.20:31.26,(13.92,1.26,;13.9,2.22,;10.07,.52,;10.84,-.81,;9.81,-1.94,;10.13,-3.45,;8.41,-1.32,;7.08,-2.09,;7.08,-3.63,;8.41,-4.4,;5.75,-4.4,;4.41,-3.63,;3.08,-4.4,;3.08,-5.94,;4.41,-6.71,;5.75,-5.94,;8.57,.2,;7.43,1.23,;13.51,.73,;13.57,-.22,;12,3.52,;10.6,4.3,;10.59,5.91,;11.98,6.71,;13.36,5.9,;13.33,4.29,;16.33,-.44,;17.44,-1.59,;19,-1.19,;19.41,.36,;18.27,1.49,;16.73,1.05,)|
53555 CCc1ccccc1N(CC(=O)OC)S(C)(=O)=O
53556 O=C(NC1CCN(Cc2ccccc2)CC1)Nc1ccc2OCOc2c1
53557 Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3ncccc3o2)cc1
53558 CNC(=O)C1=NCCCc2cc(OC)c(OC)cc12 |t:4|
53559 CCC(=O)Nc1ccc(NC(=O)c2ccco2)c(OC)c1
53560 OC(=O)C1CC=CCC1C(=O)Nc1ccc(F)c(F)c1 |c:5|
53561 CN(Cc1nc(no1)-c1cccnc1)S(=O)(=O)c1ccc(Br)cc1
53562 CCN(CC)CCNc1ccnc2cc(Cl)ccc12
53563 c1ccc(cc1)-c1nn[nH]c1-c1ccccc1
53564 O=C(NC1=NCCS1)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1 |t:3|
53565 Fc1c(F)c(F)c(C(=O)Nc2nncs2)c(F)c1F
53566 O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)c(c1)S(=O)(=O)N1CCOCC1
53567 Cc1nnc2sc(nn12)-c1ccc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2Cl)cc1
53568 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(N)=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
53569 Cc1cc(NC(=O)c2ccc3C(=O)N(Cc4cccnc4)C(=O)c3c2)no1
53570 Brc1ccc(cc1)-c1nnc2sc(CNC3CCCC3)cn12
53571 Fc1cccc(CNC(=O)c2noc3CCCCc23)c1
53572 Fc1ccc(CNC(=O)c2cc3ccccn3n2)cc1
53573 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCn2c1nc1ccccc21
53574 OC(=O)CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
53575 COc1ccccc1N1CCN(CC1)S(=O)(=O)c1c[nH]cn1
53576 COc1ccc(OC)c(c1)C1C(C(=O)Nc2ccccc2OC)C(C)=Nc2nc(CCCO)nn12 |c:26|
53577 Cc1ccc(cc1)-n1nnc2c1ncn(CC(=O)NCc1ccco1)c2=O
53578 COc1cccc2s\c(=N/C(=O)c3cccs3)n(CC#C)c12
53579 CC(NC(=O)c1ccco1)C(N1CCOCC1)c1cccs1
53580 C1CN(CCO1)c1ncnc2scc(C3COc4ccccc4O3)c12
53581 Cc1cc(C)cc(OCCCCCNCCO)c1
53582 O=C(OCN1C(=O)c2ccccc2C1=O)c1cccs1
53583 CC1(C)N(O)CC(c2cccs2)=[N+]1[O-] |c:12|
53584 Fc1c(F)c(F)c(C(=O)NC2CCCCCC2)c(F)c1F
53585 Cc1n(C)cc[n+]2cccc12
53586 CC1(CCC(=O)O1)C(=O)CSc1nnc[nH]1
53587 null
53588 O=C1CCNc2cc3ccccc3cc12
53589 OCCNC(=O)c1cc2ccccc2cc1O
53590 Oc1cccc2ccc(Nc3ccccn3)nc12
53591 Cc1ccc(cc1C)-n1c(O)cc(Sc2nnc[nH]2)c1O
53592 Cc1ccc(cc1)-n1c(O)cc(Sc2nnc[nH]2)c1O
53593 CC(C)c1ccc(cc1)-n1c(O)cc(Sc2nnc[nH]2)c1O
53594 CC1=NN2C(S1)=NC(=O)\C(=C\c1ccc(SCc3ccccc3)o1)C2=N |c:6,t:1|
53595 CCOc1ccc2N(C(=O)Nc3ccccc3)C(C)(C)C=C(C)c2c1 |t:21|
53596 Cc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1
53597 COc1ccc(NC(=O)C2CC(=O)n3cnnc3S2)cc1
53598 OCCN1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1
53599 OC(=O)Cc1sc(N[N-][CH+]c2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)nc1O
53600 CCCCC(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O
53601 [O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1
53602 Cc1ccc2cccnc2c1NC(=S)NC(=O)c1ccccc1
53603 CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl
53604 COc1ccccc1CSc1nc(c[nH]1)-c1ccc(cc1)[N+]([O-])=O
53605 ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
53606 O=C(Nc1ccccc1)C(=C\c1cccnc1)\C#N
53607 Cc1ccc(CCCOC(=O)C[N+]2(C)CCCC2)cc1
53608 CC(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O
53609 CCOC(=O)NC1(Nc2cccc(Cl)c2)Oc2ccccc2O1
53610 COc1ccc(cc1OC)C(=O)NC(=S)NNC(=O)c1cnccn1
53611 COc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2cccc(C)c2)c1O |(3.08,-4.98,;4.41,-4.21,;5.75,-4.98,;5.75,-6.52,;7.08,-7.29,;8.41,-6.52,;8.41,-4.98,;7.08,-4.21,;7.08,-2.67,;8.33,-1.76,;9.79,-2.24,;7.85,-.3,;6.31,-.3,;5.41,.95,;6.03,2.36,;5.26,3.69,;6.29,4.83,;7.7,4.21,;7.54,2.68,;9.03,4.98,;9.03,6.52,;10.37,7.29,;11.7,6.52,;11.7,4.98,;13.03,4.21,;10.37,4.21,;5.84,-1.76,;4.37,-2.24,)|
53612 CC1=[N+](C)c2ccc3ccccc3c2C1(C)C |c:1|
53613 CC(=O)Oc1ccc2c(oc(C)c(Oc3ccccc3)c2=O)c1OC(C)=O
53614 CC(=O)Oc1ccc2c(occ(Oc3ccccc3)c2=O)c1OC(C)=O
53615 CCOC(=O)c1ccc(cc1)-n1c(O)cc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)c1O
53616 CC[N+]1=C(C)C(C)(C)c2cc(C)ccc12 |c:2|
53617 CCCCCC1(C)NN(C(=S)N1)c1ccccc1
53618 CCNC(=S)Nc1cc(n[nH]1)-c1ccc(Cl)cc1
53619 CCn1c(C)[n+](-c2ccccc2)c2ccc(NC(C)=O)cc12
53620 CC1(C)CC2(CC(c3ccccc3F)c3ccc(O)c(O)c3O2)NC(=S)N1
53621 Cn1c2nc(Br)n(CCN=Nc3ccccc3)c2c(=O)[nH]c1=O |w:9.8|
53622 COc1ccc(Cc2n[nH]c(=S)n2N)cc1OC
53623 Cc1c(Cl)sn(-c2ccc(Cl)cc2)c1=O
53624 CCc1c(C)sc(NC(=S)Nc2nc(C)cc(C)n2)c1C(=O)OC
53625 Cc1ccc(cc1)C1=NN=C(NC(=O)C(F)(F)F)SC1 |t:8,10|
53626 Cc1cc(NC(=S)Nc2ccc(C)c(Cl)c2)[nH]n1
53627 NC(=S)NN=Cc1cccc(O)c1O |w:4.3|
53628 COc1ccccc1N1CCN(CC1)N=Cc1ccc(O)c(O)c1 |w:14.15|
53629 Cc1ccc(c(C)[n+]1C)[N+]([O-])=O
53630 OC(=O)c1ccccc1-c1ccc(\C=C2/SC(=N)N(C2=O)c2ccc3OCOc3c2)o1
53631 Cc1cc(C)cc(c1)-n1c(O)cc(Sc2nnc[nH]2)c1O
53632 COc1cccc(c1)-n1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O |w:10.10|
53633 Cn1c2ccccc2c(Oc2ccccc2)c([N+]([O-])=O)c1=O
53634 N=C1N2N=CSC2=NC(=O)\C1=C\c1ccc(SCc2ccccc2)o1 |c:3,7|
53635 CN(O)C=NC(=S)Nc1ccc(Cl)cc1Cl |w:4.4|
53636 Fc1ccccc1NNC(=O)\C=C\c1cnc2ccccc2c1
53637 OC(=O)c1cccc(c1)N=NCc1cccnc1 |w:9.9|
53638 Cc1snc(SCC(=O)c2ccc(cc2)[N+]([O-])=O)c1C#N
53639 Cc1c(NC(=O)CSc2ccccc2F)c(=O)n(-c2ccccc2)n1C
53640 CC1CCCCC1NC(=O)CSc1nnc(-c2ccccc2)n1N
53641 COc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1
53642 COc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2ccccc2OC)CC1
53643 CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1
53644 CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2ncccc2c1
53645 CS(=O)(=O)N1CCC(CC1)C(=O)c1cccc(Cl)c1
53646 Fc1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc3OCOc3c2)c1
53647 CCOc1cc(cc(Cl)c1O)C1C2C(=O)CCCC2=NC2=C1C(=O)CCC2 |c:20,22|
53648 Cc1ccsc1C(N(C1CC1)C(=O)c1csnn1)C(=O)NC1CCCCC1
53649 CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c1
53650 Fc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)c1
53651 Fc1ccccc1CNC(=O)CN1CCC(CC1)NC(=O)c1ccccc1
53652 O=C(NCc1ccccc1)N1CCC(CC1)NC(=O)c1ccco1
53653 Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CS(=O)CC(=O)Nc1ccc2OCOc2c1
53654 CC(=O)Nc1ccc2nc([nH]c2c1)-c1ccccn1
53655 Fc1ccc2n(nnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
53656 Cc1ccc(OCC(=O)N2CCN(CC2)C(=O)CCC2CCCC2)cc1
53657 [H]C12CC([H])(C=C1)C(C2C(=O)NCc1ccccn1)C(=O)Nc1cc(OC)ccc1OC |c:5,TLB:9:8:2:6.5,THB:19:7:2:6.5|
53658 O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)C1CCC1
53659 O=C(CN1c2ccccc2C(=O)N2CCCCC2C1=O)N1CCCc2ccccc12
53660 COCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCC2CCCO2)c1=N
53661 CCC(C)(C)NC(=O)CN(Cc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1ccccn1
53662 CS(=O)(=O)c1sc2nc(cc(-c3ccccc3)c2c1N)-c1cccs1
53663 CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)c1
53664 O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1cccs1
53665 CCCCc1nc(NCCNC(=O)c2ccco2)c(C#N)c2CC(C)(C)SCc12
53666 Clc1ccc2[nH]c(=O)c(CN3CCOCC3)c(-c3ccccc3)c2c1
53667 CCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCCOC)c1=N
53668 Oc1c(Cl)cc2c3CCCc3c(=O)oc2c1CN1CCOCC1
53669 Oc1c(Cl)cc2c3CCCCc3c(=O)oc2c1CN1CCOCC1
53670 CN(C)c1oc(nc1C#N)-c1cccs1
53671 CN1CCN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC1
53672 Cc1ccc(cc1CNC(=O)c1ccco1)-c1nn(C)c(=O)c2ccccc12
53673 CC1CCCN(Cc2c(O)c(Cl)cc3c(C)c(C)c(=O)oc23)C1
53674 CCCC(C)C1(CC)C(=O)NC(Nc2ccccc2OC)=NC1=O |c:21|
53675 CCCCc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12
53676 CCCCCCC(=O)N(O)c1cc(O)n(c1O)-c1ccccc1
53677 Cc1c(O)c(CN2CCCC2)cc2c3CCCc3c(=O)oc12
53678 CCCCc1cc(=O)oc2cc(C)cc(OCc3nnn[nH]3)c12
53679 Cc1cc(OCc2nnn[nH]2)c2c3CCCCc3c(=O)oc2c1
53680 CC(O)Cc1c(C)c2ccc(OC(C)=O)cc2oc1=O
53681 OC(=O)C1CCC(CNC(=O)Cc2cc(=O)oc3cc(O)ccc23)CC1 |(3.08,-6.86,;4.41,-6.09,;5.75,-6.86,;4.41,-4.55,;3.08,-3.78,;3.08,-2.24,;4.41,-1.47,;4.41,.07,;5.75,.84,;5.75,2.38,;4.41,3.15,;7.08,3.15,;7.08,4.69,;5.75,5.46,;5.75,7,;4.41,7.77,;7.08,7.77,;8.41,7,;9.79,7.82,;11.19,7.03,;12.52,7.8,;11.19,5.42,;9.79,4.63,;8.41,5.46,;5.75,-2.24,;5.75,-3.78,)|
53682 CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O
53683 CCc1cc(=O)oc2c(C)c(O)c(CN3CCCCC3)cc12
53684 O=C(NCCN1CCOCC1)c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1
53685 COc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc3ccccc3[nH]2)n1C1CCCCC1
53686 Oc1ccc(C=c2sc(=C(C#N)c3nnc4CCCCCn34)n(CC=C)c2=O)cc1
53687 CSc1ncc(Cl)c(n1)C(=O)C(C#N)c1nc2c(C)cc(C)cc2c(=O)[nH]1
53688 O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)c1cccs1
53689 COC(=O)CN1C(=O)C2(C(C#N)C(=N)Oc3[nH]nc(-c4cccs4)c23)c2ccccc12
53690 Clc1ccc(cc1)-n1c(SCC(=O)NCC2CCCO2)nc2CCSc2c1=O
53691 O=C(NCc1ccco1)C1CCCN(C1)S(=O)(=O)c1cccc2nonc12
53692 CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
53693 ONC(=O)Cc1ccsc1-c1ccccc1
53694 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)sc1nc(cn21)-c1ccccc1
53695 Cc1cc(no1)N1C(=O)c2ccc(cc2C1=O)C(=O)NCc1ccccc1
53696 O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)NCc1ccco1
53697 Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)no1
53698 O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)Nc1nccs1
53699 CC(=O)Nc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
53700 O=C(NCc1cccs1)C1CCN(CC1)S(=O)(=O)c1cccs1
53701 COc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc2ccc(Br)cc2)cc1
53702 Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
53703 COc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2cc(OC)ccc2OC)cc1
53704 COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3OCCOc3c2)c1
53705 FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)CS(=O)(=O)Cc1ccccc1
53706 CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C(C)C)c1=N
53707 COc1ccc(OC)c(c1)C1C2C(=O)CCCC2=NC(C)=C1C(=O)Nc1cccnc1 |c:19,22|
53708 OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
53709 COC(=O)c1ccc(O)c(Sc2cc(ccc2O)C(=O)OC)c1
53710 CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)NCCc1ccccc1
53711 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCC1
53712 O=C(NCc1ccc2OCOc2c1)C1CCCN(C1)S(=O)(=O)c1cccnc1
53713 O=C(NCc1ccccc1)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
53714 Brc1ccc2[nH]c(=O)c(CN3CCOCC3)c(-c3ccccc3)c2c1
53715 O=C(N(C1CCCCC1)C1CCCCC1)c1cnc2SCCn2c1=O
53716 OC(=O)c1c(NC(=O)c2cccs2)scc1-c1cccs1
53717 COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CC=C)c1=N
53718 Brc1ccc2[nH]c(=O)c(NC(=O)CCN3CCOCC3)c(-c3ccccc3)c2c1
53719 Cc1cc(Cl)ccc1OCCCC(=O)NO
53720 CCNc1cc2oc(=O)c(CN3CCOCC3)c(C)c2cc1C
53721 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
53722 CC(C)(C)c1nc2ccccc2c(=O)n1N1C(=O)c2ccccc2C1=O
53723 CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)[nH]2)sc2CCCCc12
53724 COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13|
53725 COc1cc(\C=C2/SC(NS(=O)(=O)c3ccccc3)=NC2=O)c(cc1OC)[N+]([O-])=O |c:19|
53726 OC(=O)c1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1
53727 O=Cc1cn(CC(=O)N2CCCc3ccccc23)c2ccccc12
53728 Cc1nc2ccccc2c(=O)n1NC(=O)c1ccco1
53729 O=c1nc(nc(Nc2ccccc2)[nH]1)N1CCCCC1
53730 CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3OCOc3c2)cc1
53731 CCCOc1ccc(cc1CSc1nc(O)cc(=O)[nH]1)C(C)=O
53732 O=C(Cn1c(SCc2ccccc2)nc2ccccc12)N1CCOCC1
53733 CC(N1C(=O)c2ccccc2C1=O)c1nc2ccccc2o1
53734 Cc1nn(c(Cl)c1C=C1SC(S)=NC1=O)-c1ccccc1 |w:7.7,c:12|
53735 [H]C12CC([H])(C=C1)C(C2C(=O)NCc1ccco1)C(=O)Nc1ccc(OC)cc1OC |c:5,TLB:9:8:2:6.5,THB:18:7:2:6.5|
53736 Clc1ccc(CN=Nc2nnn[nH]2)cc1 |w:7.7|
53737 CCCSc1nnc(NC(=O)c2nc(SC)ncc2Cl)s1
53738 CCSc1ncc(Cl)c(n1)C(=O)Nc1nnc(SCC=C)s1
53739 OC(=O)CSc1nc(nc2c3ccccc3oc12)-c1ccc(Cl)cc1
53740 CN(C)CCNc1nc(c(Cl)s1)S(=O)(=O)c1ccc(C)cc1
53741 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3C3CCCCC3)cc2)c1C
53742 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(C)n1
53743 CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1C
53744 CCOP(=O)(OCC)c1nc(\C=C\c2ccccc2)oc1NCc1ccc(OC)cc1
53745 CC(CCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
53746 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
53747 Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1
53748 Cc1ccc(NC(=O)Nc2cccs2)nc1
53749 CCN(CC)C(=O)Cn1c2sc3CCCc3c2c(=O)n(-c2ccccc2)c1=O
53750 COc1ccc(\C=C2\SC(=O)N(NS(=O)(=O)c3ccccc3)C2=S)cc1OC
53751 Brc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:22|
53752 CCOc1ccc(cc1)-n1c2nc(SCC(=O)N3CCC(C)CC3)[nH]c(=O)c2sc1=S
53753 Cc1ccc(C)c(CSc2ncccc2C(O)=O)c1
53754 CC(C)CCNC(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
53755 COc1cc(\C=C2\SC(NS(=O)(=O)c3ccccc3)=NC2=O)c(cc1OC)[N+]([O-])=O |c:19|
53756 Brc1ccc(o1)C(=O)Nc1c(c2nc3ccccc3nc2n1CC=C)S(=O)(=O)c1ccccc1
53757 COc1cccc(C2CC(=NN2S(C)(=O)=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1OC |c:9|
53758 CC(C)Oc1ccc(cc1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
53759 COc1cc(Br)c(cc1OC)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1cccnc1
53760 Cc1cc(nn1C)C(=O)NNC(=S)NCc1ccco1
53761 Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)[nH]1
53762 CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)NC1=NCCS1 |t:21|
53763 CCCOc1ccc(cc1)C(=O)NN=Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ncccn1
53764 [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccccc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
53765 CSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccc4ccccc4c3)c2=O)c(=O)[nH]1 |w:12.12|
53766 COc1nn(cc1[N+]([O-])=O)C(C)C(=O)N\[NH+]=C\c1cc(Br)cc(OC)c1[O-]
53767 CCOC(=O)c1c2CCCCCc2sc1N1N(O)c2cc(Cl)c(Cl)cc2NC1=O
53768 O=C(NC1CCCCC1)NC1CCN(CC1)C(=S)NCc1ccco1
53769 Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5F)nc4O3)c2c1
53770 Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=S)NCc1ccco1
53771 Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1ccco1 |t:12|
53772 Fc1ccccc1S(=O)(=O)Nc1ccccc1SCC(=O)Nc1nnc(s1)C(F)(F)F
53773 Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1
53774 [O-][N+](=O)c1ccc(cc1)N1CC[C+](CC1)[N-]OC(=O)c1ccccc1
53775 [#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2c(-[#6])cccc12
53776 Clc1ccsc1-c1csc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1
53777 Sc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
53778 [#6]-[#6]-[#8]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2c(-[#6])cccc12
53779 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc3ccccc23)C1=O
53780 CCOc1cc(\C=C2/N=C(SC)SC2=O)cc(c1OC(C)=O)[N+]([O-])=O |t:8|
53781 Oc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(O)c1
53782 Fc1ccc(N2N=C(CC2c2ccco2)c2cccs2)c(F)c1 |c:6|
53783 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
53784 CCOc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(o1)C(O)=O
53785 Oc1c(Br)cc(Br)cc1C=NNC(=O)CP(=O)(c1ccccc1)c1ccccc1 |w:10.11|
53786 [O-][N+](=O)c1ccc[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O
53787 COc1ccc(C=O)cc1OCCOc1ccc(\C=C\C)cc1OC
53788 OC(=O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
53789 NC(CC(O)=O)c1ccc(Br)cc1
53790 COc1c[c-](C=[NH+]NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+]([O-])=O)c1=O |w:6.6|
53791 Oc1ccc(Br)cc1C=NNC(=O)CN1CC(CC1=O)c1ccccc1 |w:9.10|
53792 COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1 |w:8.8|
53793 CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)s1 |w:21.21|
53794 Cc1cccc(c1)C1C2=C(Nc3[nH]n(-c4ccccc4)c(=O)c13)c1ccccc1C2=O |c:9|
53795 OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
53796 COc1ccccc1-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
53797 O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccccc1 |c:11,13|
53798 NC(=O)c1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+]([O-])=O)cc1
53799 Oc1nc(C=Cc2ccccc2OCC(=O)Nc2ccccc2)[nH]c(=O)c1[N+]([O-])=O |w:5.5|
53800 COc1ccc(C=CC(=O)NC(=S)Nc2ccc(cc2)C(O)=O)cc1 |w:6.5|
53801 COc1ccc(C=NNC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 |w:7.7|
53802 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1nnc2ccccc2c1=O
53803 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc4c(n3)[nH]c3ccccc43)cc2)c1C
53804 [#8]-[#6](=O)-c1ccc(-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1
53805 OC(=O)CCC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
53806 Oc1ccccc1C(=O)NNC(=O)CSc1nnc(-c2ccccc2O)n1Cc1ccccc1
53807 CCc1nnc(NC(=O)CSc2nnc(o2)-c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
53808 COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C/c1ccco1 |t:13|
53809 CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OC)cc3)cc2)s1
53810 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)nc(OC)n1
53811 Cc1ccc(cc1)S(=O)(=O)CCSc1cccc(c1)C(=O)Nc1ccccc1C(O)=O
53812 COc1c[c-](C=[NH+]NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+]([O-])=O)c1=O |w:6.6|
53813 Cc1c(C(c2ccccc2Cl)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C
53814 Fc1ccc(CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1
53815 O=C(NN1C(Nc2ccccc2C1=O)c1ccccn1)c1ccccc1
53816 CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3ccccc3)C(=N)N12 |t:6,9|
53817 Cc1ncc(C=O)c(CNNC(=O)c2ccc(Br)cc2)c1O
53818 CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3ccccc3)C(=N)N12 |t:4,7|
53819 Cc1ccc(cc1)S(=O)(=O)N(N=C1NS(=O)(=O)c2ccccc12)C(=O)c1ccccc1 |w:11.11|
53820 Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccncc1 |w:9.10|
53821 CC1(C)OC2OC(C3OC(C)(C)OC3C2O1)C(=O)NN=Cc1cc(Br)ccc1O |w:19.21|
53822 COc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccco1 |t:13|
53823 CC(=O)NS(=O)(=O)c1ccc(cc1)\N=c1/ssc2c1-c1ccc(C)cc1NC2(C)C
53824 Cc1ccccc1C1C2=C(Nc3[nH]n(-c4ccccc4)c(=O)c13)c1ccccc1C2=O |c:9|
53825 COCc1cc(C)n(CC(=O)NN=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)c(=O)c1C#N
53826 O=C(Nn1c(nc2ccccc2c1=O)-c1ccccc1)c1cccs1
53827 Oc1ccc(Br)cc1C=NNC(=O)C(N1CCOCC1)c1ccncc1 |w:9.10|
53828 Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3cccs3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
53829 Cc1cccc(c1)-c1nc2ccccc2c(=O)n1NC(=O)c1cccs1
53830 CCCCn1c(NS(=O)(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc12
53831 CN(C)c1oc(\C=C\c2ccccc2)nc1C#N
53832 OC(=O)CCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
53833 OC(=O)CCCC(=O)N1N=C(CC1c1cccs1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
53834 Cc1c(N2C(C(C(=O)c3ccc(Cl)cc3)C(=O)C2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
53835 Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)c1
53836 Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc2ccccc12)-c1ccccc1
53837 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(C)cn1
53838 Oc1ccc(Br)cc1C=NNC(=O)c1ccccc1Cl |w:9.10|
53839 CCN1C(=S)NC(=O)C(=CNNC(=O)c2ccncc2)C1=O |w:9.9|
53840 COc1ccc(cc1CSc1nc2cc(ccc2c(=O)n1Cc1ccccc1)C(O)=O)C(C)=O
53841 COc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1S(=O)(=O)N1CCCCC1
53842 CCOC(=O)N1CCN(CC1)C(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1
53843 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:11.11|
53844 Cc1ccc(cc1)C(=O)c1coc2cc(c(O)c([N+]([O-])=O)c12)[N+]([O-])=O
53845 NC(=O)NN=Cc1cc(Br)ccc1O |w:4.3|
53846 O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1
53847 COc1cc(C=NNC(=O)c2cccnc2)ccc1OCC(=O)Nc1ccc(C)cc1
53848 Cc1cc(=O)[nH]c(N=NCc2c(O)n(-c3ccccc3)c(=O)c3ccccc23)n1 |w:8.8|
53849 COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
53850 [O-][N+](=O)c1cccc(\C=C\C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c1
53851 COc1ccc(cc1)-c1nnc(SCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)n1N
53852 CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccc(Br)cc1
53853 Oc1ccc(cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)S(=O)(=O)N1CCCCC1
53854 Cc1ccc(cc1)-c1cc(-c2nnc(S)o2)c2ccccc2n1
53855 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1
53856 Cc1ccccc1S(=O)(=O)Nc1ncnc2scc(-c3ccccc3)c12
53857 COc1ccc(NC(=O)CSc2nc3nc(cc(c3c(=O)[nH]2)C(F)(F)F)-c2cccs2)c(OC)c1
53858 NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)CCSc2ccc(Cl)cc2)cc1
53859 COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(c2)C(=O)OC(C)C(=O)N2CCCC2)cc1Cl
53860 COc1ccc(cc1OC)-c1n[nH]c2OC(=N)C(C#N)C3(C(=O)N(CC(O)=O)c4ccccc34)c12
53861 COc1ccccc1N1C(=N)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
53862 Oc1ccc(Br)cc1C=NNC(=O)c1cccc(c1)N1CCCC1=O |w:9.10|
53863 OCCCC(=O)NN=Cc1cc(Br)ccc1O |w:7.6|
53864 CCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccco1
53865 Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccccc1 |w:9.10|
53866 CCC1=NN2C(S1)=NC(=O)\C(=C/c1c(C)nn(c1Cl)-c1ccccc1)C2=N |c:7,t:2|
53867 [#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cccc(Cl)c1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
53868 OC(=O)COc1ccc(C=Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1
53869 Cc1cccc(C)c1OCc1nc2ccccc2c(=O)n1N=Cc1ccc(OCC(O)=O)cc1
53870 CCOC(=O)C1C(=O)C(SC1=Nc1ccc(OC)cc1)=Cc1ccc(OCC(O)=O)c(OC)c1 |w:11.12,20.22|
53871 CCOC(=O)C1C(=O)C(SC1=Nc1ccc(OC)cc1)=Cc1ccc(OCC(O)=O)c(OCC)c1 |w:11.12,20.22|
53872 Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccc(Br)o1 |t:12|
53873 COc1cccc(\C=C(\C#N)c2ccc(F)cc2)c1OCc1cccc(c1)C(O)=O
53874 CCOC(=O)COc1ccc(Br)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+]([O-])=O |w:14.14|
53875 Nc1ccc(cc1)-c1nc2ccc(N)cc2s1
53876 Cc1cc(cnc1N)-c1ccc(s1)C(O)=O
53877 O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O |c:26|
53878 COc1cc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(cc1OC)C(O)=O
53879 [#6]-c1cccc2c(-[#6])nc(\[#7]=[#6](\[#7])-[#7])nc12
53880 COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12
53881 O=C1Nc2ccccc2\C1=C1\SC(NS(=O)(=O)c2ccccc2)=NC1=O |c:25|
53882 Nc1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
53883 Nc1nonc1C(=O)NN=Cc1cc(Br)ccc1O |w:9.9|
53884 [#6]-c1cn2c(-[#7])c(\[#6]=[#6]-3/[#6]=[#6](Cl)-[#6](=O)-[#6](Cl)=[#6]-3)c(=O)nc2s1 |c:15,t:9|
53885 COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc(c1O)[N+]([O-])=O
53886 COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1OC
53887 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1csc(C)n1
53888 Cc1ccc(c(C)c1)S(=O)(=O)NN=C1NS(=O)(=O)c2ccccc12 |w:12.12|
53889 Cc1c(N2C(C(C(=O)c3ccc(Br)cc3)C(=O)C2=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C
53890 O=C(NN1C(Nc2ccccc2C1=O)c1ccco1)c1ccccc1
53891 C\C(Cl)=C/CN1C(=O)C(=NNC(N)=S)c2ccccc12 |w:9.9|
53892 Cc1nc(N)nc(N)c1\C=C\C(C)(C)c1ccc(Cl)cc1
53893 [O-][N+](=O)c1cccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)c1 |w:9.8|
53894 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1[N+]([O-])=O
53895 Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C(=O)NN=Cc1ccccc1
53896 COc1ccc(cc1)C(=O)NNC(=O)CSc1nnc(-c2ccc(O)cc2)n1C
53897 CCOC(=O)NN1C(=O)c2ccccc2NC11CCCC1
53898 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
53899 COc1ccc(OC)c(c1)C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(O)c2ccccc2oc1=O
53900 Cc1ccc(cc1)-c1csc2ncnc(SCc3ccc(cc3)C(O)=O)c12
53901 O=C(NN1C(=O)c2ccccc2NC11CCCCC1)c1ccccc1
53902 CCn1c(C)cc(\C=C2\SC(=S)N(CC(O)=O)C2=O)c1C
53903 O=C(CSc1nnc2c(n1)[nH]c1ccccc21)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
53904 CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc(C)cc2)cc1
53905 Oc1ccc(Cl)cc1C=NNC(=O)c1ccccc1Br |w:9.10|
53906 OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
53907 Nc1nnc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)s1
53908 OC(=O)c1cccc(c1)N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
53909 OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)Cc2ccc(F)cc2)o1
53910 OC(=O)Cc1sc(N[N-][CH+]c2ccc(o2)-c2ccc(Cl)c(c2)[N+]([O-])=O)nc1O
53911 OCCN(CCO)CCCNc1cccc2C(=O)c3ccccc3C(=O)c12
53912 CC(=O)N1C(=O)C(=C2SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c2ccccc12 |w:6.26|
53913 Oc1ccc(cc1[NH+]=N[c-]1c(=O)[nH]c(=O)[nH]c1=O)[N+]([O-])=O |w:7.7|
53914 CC(NC(=O)CN(C)S(=O)(=O)c1c[nH]cn1)c1ccccc1
53915 O=C1N(CCCc2n[nH]c(=S)n2-c2ccccc2)C(=O)c2cccc3cccc1c23
53916 CCc1cc2cc3OCOc3cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
53917 Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
53918 CC1(C)Cc2oc3ccc(NS(=O)(=O)c4ccc(cc4)C(O)=O)cc3c2C(=O)C1
53919 OC(=O)c1cccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)c1
53920 NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1
53921 CC(CCc1sccc1N=Nc1c(O)ccc2ccccc12)CC(O)=O |w:9.9|
53922 Nc1nc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
53923 Cc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)CS(=O)CC(=O)Nc1ccc2OCOc2c1
53924 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)no1
53925 Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccccc4)c3cc12
53926 OC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nc3ccccc3s2)c1
53927 Brc1ccc(s1)C(=O)NNC(=S)NCCc1ccccc1
53928 CCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2)cc1
53929 [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(N=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O |c:2,TLB:31:9:6.8:3.2,7:8:9.10:3.2,THB:11:10:6.8:3.2,7:6:9.10:3.2|
53930 CCOc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 |c:24,t:15|
53931 CCOc1cc(CN=Nc2nc(O)c(CC(O)=O)s2)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:8.8|
53932 CC(=O)Nc1ccc(cc1)S(=O)(=O)Oc1cccc(CN=Nc2nc(O)c(CC(O)=O)s2)c1 |w:21.22|
53933 COc1cc(\C=C2/SC(=NC2=O)c2ccccc2)cc(Cl)c1O |c:8|
53934 CCOC(=O)C1C(=O)C(SC1=Nc1ccc(C)cc1)=Cc1ccc(OCC(O)=O)c(OCC)c1 |w:11.12,19.21|
53935 Cc1ccc(cc1)S(=O)(=O)NC1=NC(=O)\C(S1)=C\c1ccccc1 |t:12|
53936 CCCCN(CCCC)Cc1c(O)ccc2c3CCCc3c(=O)oc12
53937 O=C(Oc1c(oc2ccccc2c1=O)-c1ccco1)c1cccnc1
53938 OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=S)Nc2ccccc2)o1 |w:15.16|
53939 CC(NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1CC=C)c1ccccc1
53940 COC(=O)c1ccc(cc1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
53941 CCOC(=O)C1C(=O)C(SC1=Nc1ccccc1)=Cc1ccc(OCC(O)=O)c(OCC)c1 |w:11.12,18.20|
53942 CCOc1c[c-](\C=[NH+]\NC(=O)c2cccs2)cc([N+]([O-])=O)c1=O
53943 CCOc1cc(cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1O)[N+]([O-])=O
53944 COc1cccc(c1)-c1nc(SCC(=O)Nc2nc(c(C)s2)-c2ccccc2)[nH]c(=O)c1C#N
53945 Fc1ccc(CNC(=O)CCC2CCCN(C2)C(=O)c2ccc3cc[nH]c3c2)cc1F
53946 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1O |w:13.14|
53947 Cc1[nH]n(-c2nc(cs2)-c2ccc(C)cc2)c(=O)c1N=Nc1ccccc1O |w:19.21|
53948 Cc1cccc(NC(=O)N(CC2COCCO2)Cc2cc3cc(C)ccc3[nH]c2=O)c1
53949 CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)s1
53950 COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
53951 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1ccccc1C(O)=O
53952 OC(=O)c1ccc2NC(C3CC=CC3c2c1)c1cc2OCOc2cc1Br |c:11|
53953 COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)NCc1ccc2OCOc2c1
53954 CC1(C)CC(=O)C2=C(C1)c1c(NC2c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)ccc2ccccc12 |c:6|
53955 COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1
53956 CC(C)CC(NC(=O)C(COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN
53957 CCOC(=O)C(C=NC(N)=Nc1nc2ccccc2o1)C(=O)OCC |w:10.10,7.7|
53958 CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1
53959 CN1CCN(CC2=c3oc(=O)c(cc3C=CC2=O)=C2C=CCC=N2)CC1 |w:18.25,c:6,15,21,24|
53960 COc1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2Cl)cc(c1O)[N+]([O-])=O
53961 Cc1oc2cc(c(O)c([N+]([O-])=O)c2c1C(=O)c1ccc(Br)cc1)[N+]([O-])=O
53962 OC(=O)c1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1
53963 OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(c1)-c1nc2ccccc2o1
53964 COc1ccc(C=C2SC(S)=NC2=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 |w:6.5,c:10|
53965 Cc1ccc(cc1)C(=O)NC1CCN(CC(=O)Nc2cccc(c2)[N+]([O-])=O)CC1
53966 Fc1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1
53967 [O-][N+](=O)c1c(C=Cc2ccccc2OCC(=O)Nc2ccccc2)[nH]c(=O)[nH]c1=O |w:6.6|
53968 Cc1ccc(cc1C)-n1nnnc1SCC(=O)NC(C(O)=O)(c1ccccc1)c1ccccc1
53969 CCOc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)sc2c1
53970 Fc1cccc(c1)C(=O)NC1CCN(CC(=O)NCc2cccs2)CC1
53971 [H]C12CC([H])(C=C1)C(C2C(=O)NCc1cccnc1)C(=O)Nc1cc(OC)ccc1OC |c:5,TLB:9:8:2:6.5,THB:19:7:2:6.5|
53972 O=C(Nn1c(nc2ccccc2c1=O)C1CCC1)c1cccs1
53973 OC(=O)Cn1cc(\C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)c2ccccc12
53974 CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21
53975 Cc1ccc(S\C([C-](Cl)Cl)=C(/c2[nH]c3ccccc3[nH+]2)[N+]([O-])=O)cc1
53976 Fc1cccc(CNC(=O)C2CCN(CC2)C(=O)c2sccc2-n2cccc2)c1
53977 CCCN(CCC)C(=O)CSc1nc2n(-c3ccc(OCC)cc3)c(=S)sc2c(=O)[nH]1
53978 CCOP(=O)(OCC)c1nc(oc1N1CCCCC1)-c1cccc(c1)[N+]([O-])=O
53979 Oc1ccccc1N=Nc1ccccc1O |w:7.7|
53980 NS(=O)(=O)c1ccc(CCNC(=O)CCCn2c(SCC(=O)N3CCCC3)nc3ccsc3c2=O)cc1
53981 CCOC(=O)N1CCN(CC1)c1c(NCc2ccccc2Cl)c(=O)c1=O
53982 OC(=O)c1cccc(NC(=S)NC(NC(=O)c2ccccc2[N+]([O-])=O)C(Cl)(Cl)Cl)c1
53983 CCCCN(CC)C(=O)CSc1nc2n(-c3ccc(OCC)cc3)c(=S)sc2c(=O)[nH]1
53984 OC(=O)C(Cc1ccccc1)N=Cc1c(O)c2ccccc2oc1=O |w:11.11|
53985 O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1cccnc1
53986 CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCC=C)c(OC)c1)C2=N |w:14.15,c:10,t:5|
53987 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1
53988 Cc1cccc(C)c1-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19,(3.08,.16,;4.22,1.19,;3.9,2.7,;5.05,3.73,;6.51,3.25,;6.83,1.75,;8.3,1.27,;5.69,.72,;6.01,-.79,;4.98,-1.94,;5.75,-3.27,;7.26,-2.95,;7.42,-1.42,;8.75,-.65,;10.08,-1.42,;10.08,-2.96,;8.75,-3.73,;11.42,-3.73,;12.75,-2.96,;14.21,-3.43,;15.11,-2.19,;14.21,-.95,;12.75,-1.42,;11.42,-.65,;11.42,.89,;14.69,.52,;15.17,1.98,;16.15,.04,;13.22,.99,)|
53989 Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccccc1Br |w:9.10|
53990 O=C(COc1ccccc1\C=C1/SC(=O)NC1=O)Nc1ccccc1
53991 Cc1ccccc1CSc1nc2n[nH]cc2c(=O)[nH]1
53992 Clc1ccccc1CN=CC1Sc2ccccc2NC1=O |w:8.8|
53993 CC(N=Nc1nc(cs1)C(O)=O)c1ccccc1 |w:2.1|
53994 CCCn1c(nc2cc(C)c(C)cc12)-c1ccc[nH]c1=O
53995 CCC(C)(C)NC(=O)CN(Cc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1nccs1
53996 Fc1cccc(c1)C(=O)NC1CCN(CC1)C(=S)NCc1ccco1
53997 Nc1nonc1C(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(c1)C(O)=O
53998 CCN(CC)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12
53999 Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1
54000 Cc1ccc2n(CC(O)=O)c3nc(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1
54001 Nc1cccc2[nH]c(nc12)C(F)(F)F
54002 [#6]-[#6]-c1nc(\[#7]=[#6](\[#7])-[#7])nc2ccccc12
54003 Oc1ccc(Cl)cc1N=CC(C1OC(=O)c2ccccc12)[N+]([O-])=O |w:8.8|
54004 Cc1sc2ncn(CC(=O)N3CCOCC3)c(=O)c2c1-c1ccc(C)c(C)c1
54005 Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(o1)-c1cccc(c1)C(O)=O
54006 OC(=O)c1ccccc1C=NNC(=O)c1cc(n[nH]1)-c1ccc2CCc3cccc1c23 |w:10.11|
54007 NNC(=O)Cn1c(nc2ccccc12)-c1nonc1N
54008 CCOC1=C\C(=C\c2c(N)n3nc(sc3nc2=O)S(=O)(=O)CC)C=CC1=O |c:25,t:3|
54009 Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1cccc(O)c1)c1ccc(cc1)C(O)=O
54010 Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1ccccc1)c1ccc(cc1)C(O)=O
54011 Cc1cc(C)n(CC(=O)NN=Cc2cc(Br)cc(c2O)[N+]([O-])=O)n1 |w:10.9|
54012 Nc1nonc1-c1nc2ccccc2n1CC(=O)NN=Cc1ccc(o1)-c1ccccc1C(O)=O
54013 Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1Cl
54014 COc1cc(OC)c(NC(=O)c2ccc3c(SCC(O)=O)c4CCCCc4nc3c2)cc1Cl
54015 [O-][N+](=O)c1ncn(CC(=O)N\[NH+]=C\[c-]2cc(Cl)ccc2=O)n1
54016 Cc1ccc(C)c(c1)N1C(=N)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
54017 OC(=O)c1ccc(cc1)-c1ccc(C=c2c(=C)[nH]n(-c3ccc(Cl)c(c3)C(O)=O)c2=O)o1 |w:13.13|
54019 CC(C)S(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:16|
54020 [O-][N+](=O)c1c[c-](\C=C(/C#N)c2[nH+]c3ccccc3s2)ccc1=O
54021 O=C(NCC1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)NCc1ccccc1
54022 CC(=O)c1ccc(s1)-c1cccs1
54023 Clc1ccccc1CSc1nc2n[nH]cc2c(=O)[nH]1
54024 Fc1ccc(NC(=O)COc2ccccc2\C=C2/SC(=O)NC2=O)cc1
54025 CCOC(=O)c1cc(nc2[nH]c(=O)[nH]c(=O)c12)-c1cccc(c1)[N+]([O-])=O
54026 Nc1c(cnc2c(cnn12)-c1ccc(Cl)cc1)C(O)=O
54027 Oc1ccc(Cl)cc1N=Cc1c[nH][nH]c1=O |w:8.8|
54028 Oc1c(C=NNC(=O)c2cccnc2)c2ccccc2c(=O)n1-c1ccccc1Cl |w:4.4,(5.75,1.93,;7.08,2.7,;8.41,1.93,;8.41,.39,;7.08,-.39,;7.08,-1.93,;5.75,-2.7,;4.41,-1.93,;5.75,-4.24,;4.41,-5,;4.41,-6.54,;5.75,-7.32,;7.08,-6.54,;7.08,-5,;9.75,2.7,;11.13,1.87,;12.52,2.66,;12.52,4.27,;11.13,5.06,;9.75,4.24,;8.41,5,;8.41,6.54,;7.08,4.24,;5.75,5,;4.41,4.24,;3.08,5,;3.08,6.54,;4.41,7.32,;5.75,6.54,;7.08,7.32,)|
54029 CC(NC(=O)COC(=O)CNC(=O)c1ccc(C)s1)c1ccccc1
54030 CCC1CCCCN1C(=S)NC(=O)c1cccs1
54031 COc1ccc(cc1)-c1c\c(=[NH+]/CCCCCC(O)=O)c2cc(C)ccc2o1
54032 O=C(NN=C(Cc1ncc[nH]1)c1ccccc1)c1ccncc1 |w:3.2|
54033 Cc1nnc(NC(=O)c2ccc3ccccc3n2)s1
54034 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
54035 Cc1ccc(o1)C(=O)Nc1scc(c1C(O)=O)-c1ccccc1
54036 CCN(CC)c1ccc(cc1NC(=O)c1cccnc1)S(=O)(=O)N(CC)CC
54037 Cc1ccc(c(C)c1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14,(4.41,6.16,;5.75,5.39,;5.75,3.85,;7.08,3.08,;8.41,3.85,;8.41,5.39,;9.75,6.16,;7.08,6.16,;9.75,3.08,;9.75,1.54,;8.41,.77,;11.08,.77,;11.08,-.77,;9.75,-1.54,;9.75,-3.08,;11.08,-3.85,;11.08,-5.39,;9.75,-6.16,;8.41,-5.39,;8.41,-3.85,;7.08,-3.08,;7.08,-1.54,;5.75,-.77,;4.41,-1.54,;3.08,-.77,;4.41,-3.08,;5.75,-3.85,;5.75,-5.39,;12.42,1.54,;13.79,.72,;15.19,1.51,;15.19,3.11,;13.79,3.9,;12.42,3.08,;11.08,3.85,;11.08,5.39,)|
54038 OC(=O)C\C(=C/c1ccc(Cl)cc1)c1nc2ccccc2o1
54039 CNC(=O)c1nc[nH]c1C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C
54040 OC(=O)c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
54041 CCOC(=O)C1C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1cc(Br)ccc1Br |c:8,17|
54042 COc1cc(C=Nn2c(O)csc2=S)cc(Br)c1O |w:6.6|
54043 CN(C)CCNc1nc(c(Cl)s1)S(=O)(=O)c1ccccc1
54044 Cc1[nH]c2ccccc2c1\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O
54045 COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)Nc1ccc2nc(SC)sc2c1
54046 CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
54047 OC(=O)COc1ccccc1CN=Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(Cl)cc1 |w:13.14|
54048 CC1(NC(=O)N(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(OC(F)F)cc1
54049 OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1O)[N+]([O-])=O
54050 OC(=O)C(=C/c1ccc(o1)-c1ccc(F)cc1)\c1ccccc1
54051 COc1ccc(\C=C2/SC(NS(=O)(=O)c3cccs3)=NC2=O)cc1 |c:19|
54052 Fc1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccs1
54053 COc1ccc(cc1)-c1csc(NC(=O)Cc2cccc3ccccc23)c1C(O)=O
54054 COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3o2)cc1
54055 COC(=O)c1ccc(COc2ccccc2CN=Nc2cccc(c2)C(O)=O)cc1 |w:18.19|
54056 Clc1cc(CN2CCOCC2)c(OC(=O)c2cccs2)c2ncccc12
54057 CCOc1ccccc1Nc1nnc(SCC(=O)NC(Cc2c[nH]c3ccccc23)C(O)=O)s1
54058 Clc1nc2cc3OCCOc3cc2nc1NS(=O)(=O)c1ccccc1
54059 CCOc1ccc(cc1)-n1c(O)c(CN=Nc2nnc(C)c(=O)[nH]2)c2ccccc2c1=O |w:14.14|
54060 CCN1C(=O)\C(=N/NC(=O)c2cccs2)c2ccccc12
54061 FC(F)(F)c1cc(nc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c12)-c1cccs1
54062 NC(=O)c1ccc(Oc2ccc3ccc(=O)oc3c2)c(c1)[N+]([O-])=O
54063 Oc1ccc(cc1C(=O)OCC(=O)Nc1nc2ccccc2s1)S(=O)(=O)Nc1ccccc1Cl
54064 [O-][N+](=O)c1cc2OCOc2cc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O |w:12.13|
54065 CCCN(C(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
54066 Cn1cccc1\C=C1/SC(=S)N(NC(=O)c2ccccc2O)C1=O
54067 COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O
54068 COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc(OC)c1OC
54069 CCOc1ccc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC
54070 O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N1c2ccccc2Sc2ccccc12
54071 CC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O |c:4|
54072 CCN(CC)c1ccc(C=c2c(=C)[nH]n(-c3nnc(C)c(=O)[nH]3)c2=O)cc1 |w:9.8|
54073 COc1ccc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c(OC)c1
54074 CCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccco1
54075 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
54076 CCCCN(CC)Cc1c(O)ccc2c3CCCc3c(=O)oc12
54077 CCC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:14.30|
54078 CCOC(=O)CC1N(CCNC1=O)c1nc2c(C)cccn2c(=O)c1\C=C1/SC(=S)N(CC(C)C)C1=O
54079 CCCN1C(=S)S\C(=C/c2c(nc3c(C)cccn3c2=O)N2CCNC(=O)C2CC(=O)OC)C1=O
54080 CCOC(=O)CC1N(CCNC1=O)c1nc2ccc(C)cn2c(=O)c1\C=C1/SC(=S)N(CC(C)C)C1=O
54081 CCCN1C(=S)S\C(=C/c2c(nc3c(C)cccn3c2=O)N2CCNC(=O)C2CC(=O)OCC)C1=O
54082 Cc1cc(C)n2nc(nc2n1)C(=O)NNC(=O)c1ccc(Cl)cc1
54083 CCOc1cc(\C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O
54084 OC(=O)C(N1C(=S)S\C(=C/c2cccs2)C1=O)c1ccccc1
54085 COc1ccccc1\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O
54086 COc1ccc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c(C(O)=O)c1OC
54087 Oc1ccc(Br)cc1C=NNC(=O)c1ccncc1 |w:9.10|
54088 OC(=O)c1ccccc1NC(=O)CCCN1C(=S)S\C(=C/c2ccco2)C1=O
54089 Oc1ccc(Cl)cc1C=NNC(=O)c1ccncc1 |w:9.10|
54090 CCOC(=O)CC1N(CCNC1=O)c1nc2ccc(C)cn2c(=O)c1\C=C1/SC(=S)N(C(C)CC)C1=O
54091 Cc1nc(C)c(s1)C(=O)NN=Cc1cc(Br)ccc1O |w:10.10|
54092 Cc1cc(c[c-](\C=[NH+]\NC(=O)C2COc3ccccc3O2)c1=O)[N+]([O-])=O
54093 OC(=O)COc1ccc(Br)cc1CP(=O)(c1ccccc1)c1ccccc1
54094 FC(F)(F)C(CC(=O)c1cccs1)=NNC(=O)c1ccncc1 |w:13.14|
54095 CN1CCN(CC1)c1c2CCCCc2nc2c(c(C)nn12)-c1ccccc1
54096 COc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)ccc1O
54097 COc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
54098 Cc1ccc(cc1CNC(=O)c1ccccc1)-c1nn(C)c(=O)c2ccccc12
54099 CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O |t:5|
54100 COc1cc(\C=C2/SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)ccc1O
54101 C\C(\C=C1/SC(=S)N(C(C(O)=O)c2ccccc2)C1=O)=C/c1ccccc1
54102 OC(=O)C(N1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O)c1ccccc1
54103 CCC(=O)N1N=C(CC1c1ccccc1)C1C(=O)N(C)C(=O)N(C)C1=O |c:5|
54104 CN(C)CCCNc1oc(\C=C\c2ccccc2)nc1C#N
54105 CCN(CC)CCCNc1oc(\C=C\c2ccccc2)nc1C#N
54106 O=C(NN=Cc1cccnc1)c1cc(n[nH]1)-c1ccccc1OCc1ccccc1 |w:3.2|
54107 N#Cc1nc(\C=C\c2ccccc2)oc1NCCCN1CCOCC1
54108 COCCNc1oc(\C=C\c2ccccc2)nc1C#N
54109 COc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1cccnc1
54110 OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
54111 COc1ccc(OC)c(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)c1
54112 CCOC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)C(C)(C)C |t:5|
54113 CCCc1cc(=O)oc2c(CN(CC)CC)c(O)c(Cl)cc12
54114 O=C(Nc1ccc2OCOc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
54115 CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)Nc1ccc(O)c(c1)C(O)=O
54116 Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1O |w:14.16|
54117 COc1cc(\C=C\C(O)=O)cc(c1OC)S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
54118 NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(s2)S(=O)(=O)N2CCCC2)cc1
54119 Cc1ccc(\C=C2/SC(NS(=O)(=O)c3cccs3)=NC2=O)cc1 |c:18|
54120 COc1ccc(CN2C(=O)C(=CNc3ccccc3C(O)=O)c3ccccc3C2=O)cc1 |w:11.11|
54121 NS(=O)(=O)c1cccc(NC(=O)CSc2nc3nc(cc(c3c(=O)[nH]2)C(F)(F)F)-c2cccs2)c1
54122 CC(NNC(=O)c1ccccc1O)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O |w:1.0|
54123 OC(=O)c1ccc(NC(=S)NC(=O)C=Cc2cccs2)cc1 |w:14.14|
54124 O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/c1cccs1
54125 O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/c1nc2ccccc2[nH]1
54126 Cc1cccc(n1)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:12.13|
54127 [O-][N+](=O)c1cccc(\C=C2\SC(NS(=O)(=O)Cc3ccccc3)=NC2=O)c1 |c:23|
54128 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)Nc2ccc(cc2)C(O)=O)C1=O |TLB:6:5:10.9:2,27:9:2:7.5,THB:11:10:2:7.5,8:7:10.9:2|
54129 Oc1ccc2occ(C=C3SC(S)=NC3=O)c(=O)c2c1 |w:8.7,c:12|
54130 Clc1ccccc1Cc1nn2c(nc1=O)sc(=C1C(=O)N(CC=C)c3ccccc13)c2=O
54131 Oc1ccc2occ(\C=C3\C(=O)N=C4SC=CN4C3=N)c(=O)c2c1 |c:15,t:12|
54132 COC1=C\C(=C\c2c(N)n3c(nc2=O)sc2cc(ccc32)S(C)(=O)=O)C=CC1=O |c:28,t:2|
54133 Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NN=Cc1ccccc1
54134 OC(=O)Cc1c(-c2ccccc2Cl)c2cc(Br)ccc2[nH]c1=O |(3.91,.29,;5.24,1.06,;5.24,2.6,;6.57,.29,;7.91,1.06,;9.24,.29,;9.24,-1.25,;10.58,-2.02,;10.58,-3.56,;9.24,-4.33,;7.91,-3.56,;7.91,-2.02,;6.57,-1.25,;10.58,1.06,;11.95,.24,;13.35,1.03,;14.68,.26,;13.35,2.63,;11.95,3.43,;10.58,2.6,;9.24,3.37,;7.91,2.6,;6.57,3.37,)|
54135 Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3ccccc3OCC(O)=O)s2)cc1
54136 COc1ccccc1NS(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O |w:23.25|
54137 [H][C@@]12N(CC=C)c3ccccc3[C@@]11C[C@H](N(C(=O)OCCC#C)C1=NC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:26,32|
54138 OC(=O)c1ccc(cc1)-c1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)o1 |w:15.16|
54139 Cc1ccc(cc1)S(=O)(=O)NN1C(=S)S\C(=C/c2cccs2)C1=O
54140 O=C(NN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)c1ccccc1
54141 OC(=O)COc1ccccc1C=NNC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
54142 Cc1nccc(n1)-c1cccc(NN=C(C#N)C(=O)c2ccccc2)c1 |w:13.13|
54143 Nc1ccccc1Sc1ccc(cc1[N+]([O-])=O)C(=O)c1ccccc1C(O)=O
54144 Cc1csc(NC(=O)COCC(O)=O)c1-c1nc2ccccc2s1
54145 Cc1csc(NC(=O)CCCC(O)=O)c1-c1nc2ccccc2s1
54146 CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)Nc2c(C)onc2-c2ccccc2)c1
54147 Cc1csc(NC(=O)CSCC(O)=O)c1-c1nc2ccccc2s1
54148 Cc1ccc2Nc3c(Nc2c1C)c(=O)c3=O
54149 NC(=O)c1sc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccsc1
54150 Brc1ccc(cc1)C(=O)CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
54151 CCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
54152 NCCNC(=O)Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1
54153 CCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O
54154 CCCCn1c(SCC(=O)Nc2nnc(s2)C(C)C)nc2n(C)c(=O)n(C)c(=O)c12
54155 CCn1c(SCC(=O)Nc2nc(cs2)-c2ccccc2)nnc1-c1ccccc1
54156 Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
54157 Cn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12)N1CCN(CC1)c1ccccn1
54158 COc1ccc(O)c(c1)-c1n[nH]cc1C(=O)c1ccccc1
54159 CC1CCc2sc3ncnc(N4CCOCC4)c3c2C1
54160 COc1ccccc1-c1nc(C#N)c(o1)N1CCN(CC1)c1cccc(Cl)c1
54161 Clc1ccc(Cn2c3CCCc3c(=N)c3CCCc23)cc1
54162 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1
54163 CC(C)Cn1c(N)c(C(=O)COC(=O)c2oc3ccccc3c2C)c(=O)n(C)c1=O
54164 COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1
54165 Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O
54166 CCCCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2ccsc2c1=O
54167 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCc1ccc(OC)c(OC)c1
54168 CCN(C(=O)c1cnc(N2CCN(CC2)c2ncccn2)c2ccccc12)c1cccc(Cl)c1
54169 Cc1cc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2ccccc2)no1
54170 COc1ccc(NS(=O)(=O)c2ccc-3c(Cc4ccccc-34)c2)cn1
54171 CCS(=O)(=O)c1nnnn1-c1ccccc1S(C)(=O)=O
54172 COCCn1c(C)cc(C(=O)CSc2ncnc3sc4CCCc4c23)c1C
54173 null
54174 COc1ccc(CCNc2oc(COc3ccccc3Cl)nc2C#N)cc1OC
54175 COc1ccc(CCNc2oc(COc3ccc(Br)cc3)nc2C#N)cc1OC
54176 CCCc1nc(SCC(=O)N2CCC(Cc3ccccc3)CC2)c2c(n1)n(C)c(=O)n(C)c2=O
54177 Clc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
54178 O=C(Nc1ccc2nn(nc2c1)-c1ccccc1)c1ccc2OCCOc2c1
54179 Brc1ccc2ncnc(NCc3ccco3)c2c1
54180 Clc1ccc(OCC(=O)Nc2nc(cs2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
54181 Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc(Br)c1
54182 Cc1sc2nc(C)nc(N3CCN(CC3)C(=O)COc3ccccc3)c2c1C
54183 Cn1c(SCC(=O)N2CCCc3ccccc23)nc2ccccc2c1=O
54184 Cc1nc2c(Br)cc(Br)cc2cc1O
54185 Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1-c1ccc(Cl)cc1
54186 COc1cc2CCN=C(c3ccc(o3)-c3cc(Cl)ccc3Cl)c2cc1OC |t:7|
54187 Cn1c(Oc2ccc3ccccc3c2)nc2n(C)c(=O)n(C)c(=O)c12
54188 Cc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1 |w:10.9|
54189 COc1cccc(NC(=S)NN=C2C(=O)N(CC=C)c3ccccc23)c1 |w:11.10|
54190 FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
54191 Cc1ccc2c(C)ccc(O)c2n1
54192 Cc1cc(Cl)c(cc1OCC(=O)NC1CCCCC1)S(=O)(=O)N1CCSCC1
54193 Cc1c(NS(=O)(=O)c2ccc3OCCOc3c2)cccc1-c1nc2cccnc2s1
54194 COc1ccc(cc1)-n1c(C)c([N+]([O-])=O)c2ccc(O)c(CN3CCCCC3)c12
54195 Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C)cc1
54196 CCc1nc(SCC(=O)N2CCN(CC2)c2ccccc2)c2oc3ccccc3c2n1
54197 CCCCCCCn1ccc(=N)cc1
54198 CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
54199 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2|
54200 ClCC(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1
54201 COc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c1
54202 CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
54203 COc1cc(C=C(C(=O)c2cccs2)c2nc3ccccc3[nH]2)ccc1O |w:5.4|
54204 Cc1nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2s1
54205 ClCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1
54206 Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1
54207 Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1
54208 Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1
54209 O=S(=O)(Nc1cccc(c1)-c1cn2cccnc2n1)c1ccc(cc1)-c1ccccc1
54210 Cc1cc(C)cc(OCC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)c1
54211 Cn1c(Sc2ccc(Cl)cc2)c(C=O)c2ccccc12
54212 Clc1cccc(Cl)c1CON=CNc1ncnc2sccc12 |w:10.10|
54213 COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
54214 [#6]-[#6]-[#8]-c1cc(\[#6]=[#6](\[#6](=O)-[#8]-[#6])-[#6](=O)-[#8]-[#6])ccc1-[#8]-[#6]-c1ccc(cc1)-[#7+](-[#8-])=O
54215 [#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]
54216 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]-[#6]
54217 Cc1ccc(cc1)-c1c(C#N)c(N)n2c3ccccc3nc2c1C#N
54218 Clc1ccc(Nc2ncnc3ccc(Br)cc23)cc1
54219 Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1
54220 [O-][N+](=O)c1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1
54221 COc1ccccc1C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1
54222 Cc1nc2CCCCc2cc1C(=O)C=Cc1ccccc1 |w:13.14|
54223 CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccc(C)cc1
54224 CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(Br)s1 |w:2.2|
54225 Clc1cccc(c1)C(=O)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl
54226 COc1ccc2cc3c(N)nn(C(=O)c4ccc(Cl)c(c4)[N+]([O-])=O)c3nc2c1
54227 CCc1c(C)nc2ccc(Br)cc2c1SCCC#N
54228 Cc1ccccc1N1C(=O)NC(=O)C(=Cc2c([nH]c3ccccc23)-c2ccccc2)C1=O |w:14.15|
54229 CC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c(c1)[N+]([O-])=O
54230 CC(C)CCn1c(Sc2nc3ccccc3o2)nc2n(C)c(=O)[nH]c(=O)c12
54231 Cc1cc(C)nc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)n1
54232 Cc1ccc(C)c(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
54233 [#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(-[#6])cc1
54234 Cc1cc(C)c(C#N)c(SCc2nnc(o2)-c2ccccc2)n1
54235 COCCN(C(C(=O)NC1CCCCC1)c1ccccc1C)C(=O)CCl
54236 [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1
54237 COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(C)cc1)C(=O)NC1CCCCC1
54238 ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1
54239 [O-][N+](=O)c1nnn(n1)[C@@H]1[C@H](CC(=CC1=O)c1ccccc1)c1cccs1 |c:12|
54240 [O-][N+](=O)c1cc(ccc1S(=O)(=O)c1ccc(F)cc1)C(=O)N1CCCCCC1
54241 Cc1ccc(NS(=O)(=O)c2ccc3C(=O)c4ccccc4C(=O)c3c2)c(C)c1
54242 CCSCCc1nnc(NC(=O)Nc2cccc(c2)C(F)(F)F)s1
54243 COc1cc(CN=Nc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)ccc1OC(=O)c1ccco1 |w:7.7|
54244 Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NNC(=O)c2ccccc2)C1=O
54245 CCc1ccc(OCC(=O)Nc2ccc(c(OC)c2)-c2cc3ccccc3oc2=O)cc1
54246 CCOc1ccc(cc1)C(=O)C(CCC(CN(C)C)C(=O)c1ccc(OCC)cc1)CN(C)C
54247 COc1ccc(CN(CCC(c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC
54248 Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1cccc2ccc(C)nc12 |w:14.16|
54249 C=C(C(CC(=O)c1ccccc1)c1ccccc1)C(=O)c1ccccc1
54250 CC(C)CC(=O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1 |w:7.7|
54251 Cc1ccc(cc1)S(=O)(=O)C(\NC(=O)c1ccccc1)=C\Cl
54252 Cc1ccc(cc1)C(=O)c1cnc2cc3OCCOc3cc2c1S(=O)(=O)c1ccccc1
54253 CC(C)c1ccc(cc1)S(=O)(=O)c1cc2cc(Br)ccc2oc1=O
54254 Clc1cccc(\C=C(\C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c1
54255 CN(C1=C(NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:2|
54256 CN(c1ccccc1)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1nc2ccccc2[nH]1
54257 Cc1ccc(o1)C1=NN(C(C1)c1cccs1)C(=O)CCl |t:7|
54258 Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1
54259 CCOc1ccc(cc1)-c1csc([nH+]1)C(=C\[c-]1ccc(=O)c(c1)[N+]([O-])=O)\C#N
54260 [O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2cccc3ccccc23)o1
54261 Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCCCC1
54262 CCc1nnc(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCc3ccccc3C2)s1
54263 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O |c:32|
54264 CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)c1C
54265 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1
54266 Cc1cc(NC(=O)c2ccc(C)s2)n(n1)-c1nc2ccccc2[nH]1
54267 O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)\C=C/c1ccco1
54268 COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1
54269 FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2Cl)c(Cl)c1
54270 ClCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCCC1
54271 Brc1cccc(c1)C(=O)NC(=S)N1CCN(Cc2ccc3OCOc3c2)CC1
54272 ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1 |c:5|
54273 CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2nc(C)sc2c1
54274 COc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1OCC#N
54275 COc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2ccc(Br)cc2)cn1
54276 COc1ccc(NS(=O)(=O)c2ccc(N=NC(C)c3ccncc3)c(c2)[N+]([O-])=O)cc1 |w:14.13|
54277 COc1cc(\C=C2\CCc3ccccc3C2=O)cc(OC)c1OC
54278 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
54279 CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
54280 Cc1c(C=NNC(=O)c2ccccc2O)c2ccccn2c1C(=O)c1ccc(F)cc1 |w:4.4|
54281 CN(C(=O)COc1ccccc1C(=O)NCCOc1ccccc1)c1ccccc1
54282 [H]C12CCC([H])(C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccc(Cl)cc1 |TLB:9:8:6:2.3,THB:12:7:6:2.3|
54283 CCCc1nc(SCC(=O)Nc2nnc(SCC)s2)c2c(n1)n(C)c(=O)n(C)c2=O
54284 Cc1cc(CN=Nc2ncnc(N)c2[N+]([O-])=O)c(C)n1-c1ccccc1 |w:5.4|
54285 Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1NS(=O)(=O)c1cccs1
54286 Cc1ccc(Sc2ccc(\C=C3\C(=O)NN(C3=O)c3ccccc3)o2)cc1
54287 OC(=O)CCn1cc(\C=C\C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
54288 Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1ccccc1F |w:5.4,(8.87,-4.72,;7.96,-3.47,;8.44,-2.01,;7.19,-1.1,;7.19,.44,;8.53,1.21,;8.53,2.75,;9.86,3.52,;11.19,2.75,;12.53,3.52,;13.86,2.75,;12.53,5.06,;11.19,5.83,;9.86,5.06,;8.53,5.83,;8.53,7.37,;7.19,5.06,;5.95,-2.01,;4.48,-1.53,;6.42,-3.47,;5.52,-4.72,;6.14,-6.12,;5.24,-7.37,;3.71,-7.21,;3.08,-5.8,;3.99,-4.56,;3.36,-3.15,)|
54289 Clc1ccc(Sc2ccc(\C=C3/C(=O)NN(C3=O)c3ccccc3)o2)cc1
54290 CCOc1ccc(cc1)C(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
54291 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1
54292 O=S(=O)(NCC1CCCO1)c1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CCCO1
54293 Oc1ccc(\C=C2/SC(=O)N(Cc3cccc(c3)[N+]([O-])=O)C2=O)cc1[N+]([O-])=O
54294 Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4SCC(=O)Nc4c3)ccc2Cl)c(C)c1
54295 Cc1oc(nc1CN1CCN(CC1)c1ncnc2ccccc12)-c1cc(F)ccc1F
54296 COc1ccc(CC2(CO)CCN(CC3=Cc4cc(Cl)ccc4OC3)CC2)cc1 |t:14|
54297 CN1\C(=C\c2cc[n+](C)c3ccccc23)C=Cc2ccccc12 |c:17|
54298 CCCCN1\C(Sc2ccccc12)=C\c1ccc2ccccc2[n+]1CC
54299 O=C(N1CCN(CC1)c1ccccn1)c1ccc(Cn2c(=S)[nH]c3ccccc3c2=O)cc1
54300 Cc1oc(nc1CN1CCN(CC1)c1ncnc2ccccc12)-c1cccc2ccccc12
54301 S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)c1ccccn1
54302 Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)Nc1ccccc1F
54303 CCOC(=O)\C=C\C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
54304 Cc1cc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c(C)cc1Br
54305 CCN(CC)c1ccc(cc1NC(=O)CN1CCc2ccccc2C1)S(=O)(=O)N1CCOCC1
54306 Cc1ccc(NC(=O)CC(=O)c2ccc(cc2)[N+]([O-])=O)cc1S(=O)(=O)Nc1cccc(Cl)c1
54307 COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
54308 O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCCC1
54309 Nc1ncnc(Nc2ccccn2)c1[N+]([O-])=O
54310 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
54311 Nc1[nH]n2c(nc(cc2=O)-c2ccccc2)c1N=Nc1ccc2OCOc2c1 |w:18.21|
54312 CN(Cc1csc(C)n1)C(=O)c1cc(COc2ccc3ncccc3c2)on1
54313 O=C(N1CCCCCC1)c1cc(COc2ccc3ncccc3c2)on1
54314 Clc1ccc(cc1)C(=O)C1CCCN(Cc2ccc3ncccc3c2)C1
54315 COCC1CCN(CC1)C(=O)c1cc(COc2ccc3ncccc3c2)on1
54316 CN(Cc1cccnc1)C(=O)c1cc(COc2ccc3ncccc3c2)on1
54317 COc1ccc(-c2nc(CN3CCN(CC3)c3ncnc4ccccc34)c(C)o2)c(OC)c1
54318 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
54319 Clc1ccc(NC(=O)c2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)nc1
54320 Cc1ccc(NC(=O)Cc2cc(C(O)=O)c3ccccc3n2)c(C)c1
54321 COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1
54322 CC(C)COc1ccc(cc1)C(=O)Nc1sc2COC(C)(C)Cc2c1C(O)=O
54323 Cc1ccc(SCc2cc(=O)[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1
54324 Fc1ccc(cc1)N1CCN(CC1)C(=S)NC(=O)c1cccs1
54325 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1
54326 CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3|
54327 Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
54328 COc1ccc(cc1)C1=Nn2c(SC1)[n+](C)c1ccccc21 |t:9|
54329 C(Nc1ncnc2scc(-c3cccs3)c12)c1ccccn1
54330 COc1ccc(cc1)-c1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1
54331 COc1ccccc1N1CCN(CC1)c1ncc(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2ccccc12
54332 Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1
54333 Brc1cc(C=NNC(=O)c2ccncc2)sc1Br
54334 [O-][N+](=O)c1cc(ccc1S(=O)(=O)Cc1ccccc1Cl)C(=O)N1CCN(CC1)c1ccccn1
54335 Cc1ccc(C)c(c1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
54336 CN1C(=O)C(=NNC(=S)Nc2ccccc2F)c2cc(ccc12)S(=O)(=O)N1CCOCC1 |w:5.5|
54337 [#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1
54338 COc1ccc(NC(=O)Nc2nnc(s2)-c2ccncc2)cc1
54339 COc1cc2ncnc(NCCc3ccccc3)c2cc1OC
54340 Cc1noc2ncnc(N3CCN(CC3)c3cccc(Cl)c3)c12
54341 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccc(cc1)-n1cncn1)\[#6](=O)-[#8]-[#6]-[#6]
54342 CN(C)S(=O)(=O)Oc1ccc(cc1)C(=O)Nc1cccc(c1)C(F)(F)F
54343 Cc1oc(nc1CSc1nc2CCCCc2c(=O)[nH]1)-c1ccccc1Cl
54344 Cc1ccc(CNc2ncnc(N)c2[N+]([O-])=O)cc1
54345 Cc1ccc(O)c(c1)C(=O)c1cc(C#N)c2nc3ccccc3n2c1
54346 CCc1ccc(CN(C)C(=O)CCc2nc3ccccc3n(-c3ccc(OC)cc3)c2=O)cc1
54347 ClCC(=O)Nc1cn(nc1-c1ccccc1)-c1ccccc1
54348 CCCc1cc(NC(=O)CCl)n(n1)-c1ccccc1
54349 CC1CCCCC1NC(=O)C(=C\C=C\c1ccccc1[N+]([O-])=O)\C#N
54350 Cc1c(\[NH+]=c2/scc(-c3ccc(Cl)cc3Cl)n2CC=C)c(=O)n(-c2ccccc2)n1C
54351 CCc1ccc(cc1)C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O
54352 Cc1cc(C(=O)CCl)c(C)n1CCc1ccccc1
54353 CSC(=S)NN=Cc1ccc(Br)cc1 |w:5.4|
54354 COc1ccc(cc1)-c1csc(NC(=O)C2=NN(C(=O)CC2)c2ccccc2)n1 |t:16|
54355 CC(C)c1ccc(cc1)-c1csc(NC(=O)c2cccs2)c1C(O)=O
54356 Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1CC1CCCO1
54357 Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1S(=O)(=O)N1CCCCC1
54358 Cc1nn(-c2ccccc2)c2nc([nH]c(=O)c12)C(Cl)(Cl)Cl
54359 CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1
54360 COc1ccccc1N(CC=C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)N1CCOCC1
54361 O=C(N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
54362 CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2cccc3cnccc23)c1
54363 OC(=O)CCSc1ncnc2sc(cc12)-c1ccccc1
54364 CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC
54365 Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccccc2[N+]([O-])=O)n1 |w:13.13|
54366 COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O
54367 COC(=O)Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(OC)cc1 |w:22.25|
54368 COc1ccc(cc1)C(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1
54369 COc1ccc2c(C)nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1
54370 CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc12
54371 Oc1ccccc1C(=O)NN=Cc1cccc2cccnc12
54372 COc1ccc2nc(N3CCCCC3)c(C=C3SC(S)=NC3=O)cc2c1 |w:15.15,c:20|
54373 CCCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O
54374 CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccc(O)cc2)C1=O
54375 COc1ccc(cc1OC)-c1c[nH]nc1-c1ccc(OCc2ccccc2F)cc1O
54376 CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
54377 Cc1ccc(Nc2nc(N)nc(CCl)n2)c(C)c1
54378 CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
54379 [H]C12CC3([H])CC(C1)(CC(C2)(C3)n1nnc(C)n1)C(=O)N1CCN(CC1)c1cc(C)ccc1C |TLB:11:9:7:3.5.2,THB:12:9:7:3.5.2,12:9:5:1.7.2,10:9:5:1.7.2,10:1:5:9.8.11|
54380 CC(C)c1ccc(cc1)-c1nc2ccccc2s1
54381 Clc1c(Cl)c(Cl)c2[nH]nnc2c1Cl
54382 Cc1nc(cs1)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C |t:14|
54383 COc1cc(NC(=O)c2cc3ccccc3cc2O)c(OC)cc1Cl
54384 Oc1c(ccc2ccccc12)C(=O)Nc1ccc(Br)c2ccccc12
54385 CCc1cc2\C(C(=O)N3c2c(c1)C(C)CC3(C)C)=C1\SC(=O)NC1=O
54386 Oc1c(ccc2ccccc12)C(=O)Nc1cccc(c1)[N+]([O-])=O
54387 Clc1ccc(-c2nnc(SC3CCOC3=O)o2)c(Cl)c1
54388 FC(F)(F)c1cc(nc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c(=O)c12)-c1cccs1
54389 Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
54390 Cc1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccc(C)cc1
54391 Clc1ccc(cc1)-c1cn[nH]c1C(=O)C1CO1
54392 Oc1ccc(Cl)cc1-c1cc([nH]n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
54393 Cc1ccc2oc(N=C(N)NC(=O)C(C)(C)C)nc2c1 |w:7.6|
54394 ClCC(=O)Nc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1
54395 [O-][N+](=O)c1cnc(NC(=O)Cc2ccc(Br)cc2)s1
54397 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccno4)c3)cc2C(F)(F)F)CC1
54398 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cc3ccccc3o2)o1
54399 CC(C)(C)NC(=S)NN=Cc1cc(Br)c(O)c(Br)c1 |w:8.7|
54400 C(Nc1ncnc2scc(-c3ccccc3)c12)c1ccccn1
54401 Cc1csc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12
54402 Cc1csc2c(ncnc12)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
54403 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Oc2cccnc2)nc1
54404 Cc1ccc(\C=C2\SC(=S)N(C2=O)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
54405 COC(=O)c1scc(C#N)c1NN=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 |w:12.12|
54406 OC(=O)c1c(NC(=O)c2ccccc2Cl)sc2CCCCc12
54407 CC1CCc2c(C1)sc(NC(=O)\C=C\c1cccs1)c2C(O)=O
54408 COc1ccccc1OCCCOc1cccc(\C=C2/SC(=O)NC2=O)c1
54409 CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
54410 FC(F)(F)c1cc(C=Cc2ccccc2C(F)(F)F)[nH]c(=O)n1 |w:8.8|
54411 Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Cl
54412 CC(=O)c1cn(Cc2ccccc2F)c2ccccc12
54413 Clc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
54414 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(Cl)cccc2s1
54416 O=C1C=C(N2CCOCC2)c2ccccc2C1=O |t:2|
54417 FC(F)(F)c1cc(C=Cc2ccc(Cl)cc2Cl)[nH]c(=O)n1 |w:7.6|
54418 OC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2CCCCc12
54419 Fc1ccc(NC(=O)Nc2nc(SCC=C)ns2)cc1
54420 COc1ccc(cc1)-c1cc(=O)oc2cc(O)ccc12
54421 Cc1oc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc2c1-c1ccccc1
54422 COc1cc(cc(OC)c1OC)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
54423 COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(Br)c1OC
54424 COc1cc(\C=C2/CC(C\C(=C/c3cc(OC)c(OC)c(OC)c3)C2=O)C(C)(C)C)cc(OC)c1OC
54425 CC(=O)c1c(C)n(-c2ccc(cc2)C(C)=O)c2ccc(O)cc12
54426 Brc1ccc(cc1)-c1cc2nc(cc(=O)n2[nH]1)-c1ccccc1
54427 [O-][N+](=O)c1cccnc1S(=O)(=O)c1ccccc1
54428 Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
54429 FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
54430 Cc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
54431 CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(O)ccc12
54432 COc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
54433 COc1cc(OC)c(\C=C2/CC(C)C\C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1OC
54435 COc1cc(OC)c(\C=C2/CCC\C(=C/c3cc(OC)c(OC)cc3OC)C2=O)cc1OC
54436 COc1ccc(Cl)cc1\C=C\c1ccc2cccc(O)c2n1
54437 Oc1c(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1[N+]([O-])=O
54438 CN1\C(Sc2ccc(C)cc12)=C\c1cccc[n+]1C
54439 Cn1c(\C=C\c2ccc(Br)cc2)c([N+]([O-])=O)c(=O)n(C)c1=O
54440 COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(Cl)c1OC
54441 CCOc1cccc(C=Cc2ccc3cccc(O)c3n2)c1O |w:9.9|
54442 CCCCCOc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
54443 Cn1c(\C=C\c2ccc(Cl)cc2)c([N+]([O-])=O)c(=O)n(C)c1=O
54444 COc1cc(Br)cc(C=Cc2ccc3cccc(O)c3n2)c1O |w:9.9|
54445 CCN(CC)c1ccc(\C=C\c2ccc3ccc(OC)cc3[n+]2CC)cc1
54446 Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1
54447 Oc1ccc(N=Nc2ccccc2C(F)(F)F)c2cccnc12 |w:6.6|
54448 CN(C)c1ccc(\C=C\c2ccc(C)c[n+]2C)cc1
54449 COc1cc(cc(OC)c1OC)C(=O)NCCOc1cc(C)ccc1C(C)C
54450 Fc1ccc(cc1)-c1cc2nc(CCl)[nH]c(=O)c2s1
54451 CN(C)S(=O)(=O)c1cccc(CSCc2cccc(c2)S(=O)(=O)N(C)C)c1
54452 COc1ccccc1N1CCN(CC1)c1ncnc2sc(C)c(-c3ccccc3)c12
54453 CC(Nc1ncnc2sccc12)c1ccccc1
54454 CN(C(=O)C(C)(C)C)c1ccc(OCC(=O)N2CCc3ccccc3C2)cc1
54455 ClCC(=O)N1C(CSc2ccccc12)c1ccccc1
54456 COc1ccccc1CNc1ncnc2sccc12
54457 Fc1ccc(F)c(CNc2ncnc3cc(Cl)ccc23)c1
54458 On1c(nc2ccc(Br)cc2c1=O)-c1ccc(Cl)cc1
54459 COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CC(C)CCc2c1C(O)=O
54460 CSc1cccc(NS(=O)(=O)c2ccc3N(CCc3c2)C(C)=O)c1
54461 COc1cccc(OCCOc2ccc(C=C3SC(S)=NC3=O)cc2)c1 |w:15.14,c:19|
54462 ClCC(=O)Nc1c2CSCc2nn1-c1ccccc1
54463 COc1ccc(cc1)-n1nc2CSCc2c1NC(=O)CCl
54464 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2c(F)cc(F)cc2s1
54465 COc1cccc(c1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
54466 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
54467 Cc1cc(C(=O)N\N=C\c2ccc(s2)[N+]([O-])=O)c2ccccc2n1
54468 Cc1c(sc2ncnc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccc(F)cc1
54469 CCN(CC)C(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
54470 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
54471 Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccccc1F
54472 Cc1cccc(N2CCN(CC2)C(=O)CCCCCn2c(=S)[nH]c3ccc(cc3c2=O)N2CCOCC2)c1C
54473 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
54474 COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
54475 Cc1ccc(OCc2cc(no2)C(=O)N2CCCC2(CC=C)CC=C)cn1
54476 COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)C2CC2)cc1OC
54477 COc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(C)n2)cc1OC
54478 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(Cl)c1
54479 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1
54480 CCC(NC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1)c1ccncc1
54481 Cn1cc(cc1C(=O)NC(C)(C)C)S(=O)(=O)N1CCc2ccccc12
54482 Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
54483 COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3cccc(F)c3)s2)cc1
54484 Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
54485 O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1[nH]nc-2c1CCc1ccccc-21
54486 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2SC(C)C(=O)Nc2c1
54487 COc1ccc(CNS(=O)(=O)c2ccc3N(C(C)Cc3c2)C(=O)C2CC2)cc1
54488 Brc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCCC1
54489 CSc1ccccc1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1
54490 CN(C)S(=O)(=O)N1CCC(CC1)Oc1cccc(c1)C(=O)NC1CCCCC1
54491 OC(=O)c1cc(Br)ccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1
54492 Cc1onc(c1C(=O)Nc1ncc(s1)[N+]([O-])=O)-c1ccccc1
54493 Nc1ccc(cc1)S(=O)(=O)Nc1nccc(\C=C\c2cccc(Br)c2)n1
54494 CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)N(C)C1CCCCC1
54495 CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccn1 |w:13.13|
54496 CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)NC1CCCCC1
54497 CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1
54498 Cc1oc(nc1CSCC(=O)NC1CCN(Cc2ccccc2)CC1)-c1ccc(Cl)cc1
54499 COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
54500 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CCN(CC1)c1ccc(F)cc1
54501 CC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)c1
54502 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
54503 Cc1sc2ncnc(N3CCN(CC3)S(=O)(=O)c3ccc(Br)cc3)c2c1C
54504 COc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C
54505 CN1C(=O)\C(Sc2ccc(cc12)C(=O)N1CCN(CC1)c1ccccn1)=C\c1ccccc1C
54506 Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
54507 Cc1c(sc2nc(C)nc(N3CCN(CC3)c3ccccn3)c12)C(=O)N1CCN(CC1)c1ccc(F)cc1
54508 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(C)n1
54509 COc1ccc(CCNC(=O)c2ccc3SCCN(Cc4ccccc4)c3c2)cc1OC
54510 CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
54511 CCc1ccc(cc1S(=O)(=O)NCCCN1CCN(CC1)c1ccccc1)-c1cc(C)no1
54512 COc1ccc(cc1S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1)-c1cc(C)no1
54513 Cc1cc(on1)-c1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
54514 CN(Cc1ccc(F)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1
54515 CC1=C(OCCO1)C(=O)NC1CCCc2c1cnn2-c1cccc(C)c1C |t:1|
54516 Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1
54517 CCCCc1nc(N2CCN(CC2)C(=O)c2ccco2)c(C#N)c2CCCCc12
54518 O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccccc1
54519 Cc1cc(c(C)cc1Br)S(=O)(=O)NCc1ccncc1
54520 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1
54521 Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)C1(CC1)C(N)=O
54522 CCn1nc(C)c(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)c1C
54523 Cc1ccc(cc1)-c1csc(n1)N1CCN(CCCn2c(nc3ccccc23)-c2ccncc2)CC1
54524 Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F
54525 COc1ccc(NS(=O)(=O)c2ccc3oc(SC(C)C(N)=O)nc3c2)cc1
54526 CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
54527 COc1ccc(CC(=O)Nc2ccncc2Cl)cc1
54528 CC(=NNC(=O)c1cc(Br)ccc1O)c1ccccn1 |w:2.2|
54529 Clc1ccc(cc1)C(=O)NN=Cc1ccccn1
54530 O=C(C1C(N(C(=O)C1=O)c1nccs1)c1ccccc1)c1ccc2OCCOc2c1
54531 O=C(COc1ccc2c(cc(=O)oc2c1)-c1ccccc1)Nc1cccnc1
54532 Cc1ccc2N(CCCc2c1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccccc1C(O)=O
54533 COc1ccc(cc1Br)C(=O)NC(=S)N(C)C1CCCCC1
54534 CC(=NNC(=O)c1ccccc1F)c1ccccn1 |w:2.2|
54535 [O-][N+](=O)c1ccc(\C=N\NC(=O)C2COc3ccccc3O2)s1
54536 Clc1ccc(CC(=O)Nc2ccncc2Cl)c(Cl)c1
54537 CC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
54538 [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](/Cl)Cl)S(=O)(=O)c1ccc(-[#6])cc1
54539 COc1ccc(C)cc1NC(=O)CSc1ccc(nn1)-c1ccco1
54540 Cc1nc(C)c(s1)-c1ccc(SCC(=O)Nc2cccc(Cl)c2)nn1
54541 COc1ccc(C)cc1NC(=O)CSc1ccc(nn1)-c1sc(C)nc1C
54542 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54543 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(OC)c2)n1
54544 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2)n1
54545 COc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54546 COc1ccc(cc1)-c1noc(CCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54547 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Cl)n1
54548 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(C)cc2)n1
54549 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1
54550 COc1ccccc1-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54551 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Br)cc1
54552 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(cc1)C(F)(F)F
54553 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(F)cc1
54554 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Cl
54555 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(F)c1
54556 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Br)c1
54557 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C
54558 COc1ccc(cc1)-c1noc(CC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54559 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2Br)n1
54560 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(F)c2)n1
54561 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C(F)(F)F)n1
54562 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(Cl)cc1
54563 Cc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54564 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(Cl)c1
54565 Cc1cccc(c1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54566 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Cl)c2)n1
54567 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1cccc(c1)C(F)(F)F
54568 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1C(F)(F)F
54569 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2C)n1
54570 COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(OC)cc1
54571 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(F)cc2)n1
54572 COc1ccc(cc1)-c1noc(CCCCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54573 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2OC)n1
54574 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1F
54575 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccccc1Br
54576 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2C)n1
54577 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)n1
54578 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccccc2F)n1
54579 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(C)c2)n1
54580 CN(C)c1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54581 COc1ccc(cc1)-c1cccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)c1
54582 COc1ccc(cc1)-c1coc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)n1
54583 COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)on1
54584 COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1
54585 COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)s1
54586 COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:13|
54587 [O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1 |t:10|
54588 Fc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1cccc(Br)c1 |t:8|
54589 Brc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
54590 COc1ccc(cc1)C1CC(=NN1c1cccc(F)c1)c1ccc(OC)cc1 |c:11|
54591 COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
54592 COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(Cl)c1)c1ccc(OC)cc1 |c:11|
54593 Fc1ccccc1C1CC(=NN1c1ccc(Br)cc1)c1ccc(Br)cc1 |c:10|
54594 COc1ccc(cc1)C1CC(=NN1c1ccccc1Cl)c1ccc(Br)cc1 |c:11|
54595 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1ccccc1 |t:9|
54596 [O-]S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
54597 Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
54598 Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
54599 Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
54600 Oc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:11|
54601 CC(=O)Oc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:11|
54602 OC(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:11|
54603 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1C(F)(F)F)c1ccccc1 |t:9|
54604 FC(F)(F)c1ccccc1C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:13|
54605 FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:14|
54606 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Cl)cc1 |c:12|
54607 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12|
54608 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Br)cc1 |c:12|
54609 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:12|
54610 COc1ccc(cc1)C1=NN(C(C1)c1ccc(OC)c(OC)c1C(O)=O)c1ccccc1 |t:9|
54611 CCc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
54612 FC(F)S(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(Br)cc1 |c:14|
54613 COc1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:12|
54614 CN(C)c1ccc(cc1)C1C[C-](N=[N+]1c1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:13|
54615 Cc1ccccc1[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccccc1 |t:8|
54616 COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|
54617 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1C)c1ccccc1 |c:12|
54618 [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccccc1 |c:13|
54619 COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(Cl)cc1 |c:13|
54620 FC(F)(F)c1cccc(c1)N1N=C(CC1c1ccccc1Cl)c1ccc(Cl)cc1 |c:12|
54621 COc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1F |t:9|
54622 COc1ccc(cc1OC)C1CC(=NN1c1cccc(F)c1)c1ccc(F)cc1 |c:13|
54623 COc1ccc(cc1)C1CC(=NN1c1cc(Cl)ccc1Cl)c1ccc(F)cc1 |c:11|
54624 COc1ccc(cc1)C1=NN(C(C1)c1ccccc1F)c1ccc(Cl)cc1 |t:9|
54625 COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:13|
54626 COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)c1cccc(F)c1 |t:9|
54627 CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccc(F)cc1 |c:12|
54628 [O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccc(F)cc1 |c:13|
54629 COc1ccc(cc1)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:11|
54630 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(N)=O)c1ccccc1 |c:11|
54631 COc1ccc(cc1OC)C1CC(=NN1c1ccc(Cl)c(c1)C(O)=O)c1ccccc1 |c:13|
54632 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(O)=O)c1ccccc1 |c:11|
54633 COc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
54634 COc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
54635 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(F)c1 |c:11|
54636 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1F |c:11|
54637 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(F)cc1 |c:11|
54638 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Br |c:11|
54639 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Br)c1 |c:11|
54640 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 |c:11|
54641 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1Cl |c:11|
54642 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(Cl)c1 |c:11|
54643 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1 |c:11|
54644 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(OC)c1 |c:11|
54645 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(OC)cc1 |c:11|
54646 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N(C)C |c:11|
54647 Cc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
54648 Cc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
54649 COc1cccc(c1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:11|
54650 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1OC |c:11|
54651 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:12|
54652 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Br)c1)c1ccccc1 |c:12|
54653 Cc1ccccc1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1 |c:10|
54654 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C |c:11|
54655 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(C)c1 |c:11|
54656 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:11|
54657 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)C(F)(F)F |c:11|
54658 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)C(F)(F)F |c:11|
54659 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccs1 |c:11|
54660 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccsc1 |c:11|
54661 COc1ccc(cc1)C1CC(C)=NN1c1ccc(cc1)S(N)(=O)=O |c:12|
54662 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Br)cc1)c1ccccc1 |c:12|
54663 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cccc(Cl)c1)c1ccccc1 |c:12|
54664 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccccc1 |c:12|
54665 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Cl)c1ccccc1 |c:12|
54666 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C(C)(C)C |c:11|
54667 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccccc1C(F)(F)F |c:11|
54668 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)C1CCCCC1 |c:11|
54669 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccc(c1)N(C)C |c:11|
54670 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cccnc1 |c:11|
54671 COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccncc1 |c:11|
54672 COc1cccc(c1)C1=NN(C(C1)c1ccc(Br)cc1)c1ccc(cc1)S(N)(=O)=O |t:9|
54673 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1Br)c1ccccc1 |c:12|
54674 COc1ccc(cc1)C1CC(=NN1c1cccc(c1)S(N)(=O)=O)c1ccccc1 |c:11|
54675 O=C1NC(=O)\C(N1)=C1\C(=O)Nc2ccccc12
54676 O=C1NC(=S)N\C1=C1/C(=O)Nc2ccccc12
54677 O=C1Nc2ccccc2\C1=C1\Cc2ccccc2C1=O
54678 Brc1cccc2\C(C(=O)Nc12)=C1\Cc2ccccc2C1=O
54679 Brc1cccc2NC(=O)\C(=C3/Cc4ccccc4C3=O)c12
54680 Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1 |w:8.20|
54681 ONc1c([nH]c2ccccc12)C1=c2ccccc2=NC1=O |c:13,20|
54682 ONc1c([nH]c2ccccc12)C1=c2cc(Br)ccc2=NC1=O |c:13,21|
54683 ONc1c([nH]c2ccccc12)C1=c2cccc(F)c2=NC1=O |c:13,21|
54684 ONc1c([nH]c2ccccc12)C1=c2cccc(Cl)c2=NC1=O |c:13,21|
54685 ONc1c([nH]c2ccccc12)C1=c2cccc(Br)c2=NC1=O |c:13,21|
54686 COc1ccc(cc1Br)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(C)(=O)=O
54687 CCCCS(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(OC)c(OC)c(OC)c1
54688 COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccc(Br)cc1)-c1ccccc1
54689 COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cncc(Br)c1
54690 Nc1c(C#N)c(c(C(=O)c2ccccc2)n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc(Cl)cc1
54691 COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
54692 COc1ccc(cc1)S(=O)(=O)n1c(N)c(C#N)c(c1C(=O)c1ccccc1)-c1cc(Br)c(OC)c(OC)c1
54693 COc1ccc2cc(ccc2c1)[C@@H](C)C([O-])=O
54694 [O-][N+](=O)c1ccccc1C(=O)C#Cc1ccccc1
54695 O=C(C#Cc1ccccc1)c1ccccc1
54696 [O-][N+](=O)c1ccc(cc1)C#Cc1ccccc1
54697 Clc1ccc(cc1)C(=O)C#Cc1ccccc1
54698 O=C(C#Cc1ccccc1)c1cccnc1
54699 O=C(C#Cc1ccccc1)c1ccc(cc1)C#N
54700 FC(F)(F)Oc1ccc(cc1)C(=O)C#Cc1ccccc1
54701 Fc1ccc(cc1)C(=O)C#Cc1ccccc1
54702 COC(=O)c1ccc(cc1)C(=O)C#Cc1ccccc1
54703 COc1ccc(cc1)C(=O)C#Cc1ccccc1
54704 COc1ccc2cc(ccc2c1)[C@H](C)C([O-])=O
54705 CC(C(O)=O)c1cccc(Oc2ccccc2)c1
54706 COc1ccc2cc(CC(O)=O)ccc2c1
54707 CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C\c1ccc(cc1)S(C)=O |c:1|
54708 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)n1
54709 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(Br)cc2)n1
54710 COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2cccc(Br)c2)n1
54711 COc1ccc(cc1)-c1cc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]n1
54712 COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)o1
54713 COc1ccc(cc1)-c1ccc(CCC(=O)N2CCN(CC2)c2cc(C)ccc2C)[nH]1
54714 COc1ccc(cc1)-n1c(O)c(Cl)c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1O
54716 COc1cc(\N=C2/SSNC2Cl)c(OC)cc1Cl
54717 CNC1CCC(Br)CC(C(=O)C=Cc2cccc(OC)c2OC)C1=O |w:11.10|
54718 CCCC(N(C1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)o1)C(=O)NC1CCCC1
54719 Cc1cccc(c1)-n1cnc2n(Cc3ccco3)c3nc4ccccc4nc3c2c1=O
54720 CCOC(=O)c1sc2nc(-c3ccco3)c3COC(C)(C)Cc3c2c1N
54721 Cc1ccc(o1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(Br)cc1 |c:17|
54722 OC(=O)CCc1ccc(o1)-c1cccs1
54723 CCOC(=O)c1ccc(cc1)N1C(=O)C=CC1=O |c:15|
54724 O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
54725 CC(C=Cc1ccco1)=NNC(=O)c1cccnc1 |w:9.10,3.3|
54726 Cc1ccc(cc1)-n1nnnc1C(Cl)(Cl)c1nnnn1-c1ccc(C)cc1
54727 CCCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1 |c:9|
54728 O=C1NC(=O)C(=Cc2ccc(Sc3ccccc3)o2)C(=O)N1c1ccccc1 |w:6.6|
54729 [H]C12C=CC([H])(C3C1C(=O)N(N=Cc1ccc(o1)N1CCCCC1)C3=O)C21CC1 |c:2,TLB:8:7:26:2.3,THB:24:6:26:2.3|
54730 COc1ccc2nc(NC(=O)\C=C\c3ccc4OCOc4c3)sc2c1
54731 Clc1ccc(SCC(=O)Nc2cccc(c2)-c2nc3ccccc3[nH]2)cc1
54732 Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1 |(13.85,-1.03,;12.52,-1.8,;12.52,-3.4,;11.13,-4.2,;9.75,-3.37,;8.41,-4.14,;7.08,-3.37,;5.75,-4.14,;7.08,-1.83,;5.75,-1.06,;5.75,.48,;4.41,1.25,;3.08,.48,;4.41,2.79,;5.75,3.56,;5.75,5.1,;7.08,2.79,;7.08,1.25,;8.41,.48,;8.41,-1.06,;9.75,-1.83,;11.13,-1.01,)|
54733 CN1C(=O)C(Cl)(Cl)C(=O)c2ccccc12
54734 COC(=O)\C=C/C(=O)Nc1cccc(c1)[N+]([O-])=O
54735 CCN1C(=O)N\C(=C\c2ccc(C)o2)C1=O
54736 Cc1ccc(\C=C\C(=O)N2CCN(CC2)c2ncccn2)o1
54737 [#8]-[#6](=O)-[#6]-[#6]-n1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c(n1)-c1ccccc1
54738 CCOc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
54739 COc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccc(F)cc2)c1O
54740 Cc1ccc(\C=C\C(=O)NCc2ccc(cc2)S(N)(=O)=O)o1
54741 OC(=O)CCCNC(=O)\C=C\c1ccco1
54742 CC(=O)NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(C)o2)cc1
54743 O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
54744 CCc1nc2sc3c([nH]c(O)cc3=O)c2cc1C
54745 CN(CCOC(=O)\C=C\c1ccco1)Cc1ccccc1
54746 CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)N1CCOCC1
54747 Cc1cc(C)c2c(n1)sn(CC(=O)NC1CCCC1)c2=O
54748 OCc1cc(=O)c(O)c(o1)C(Nc1cccc(c1)C(F)(F)F)c1ccccn1
54751 O=C(COC(=O)CNC(=O)c1ccc(cc1)-c1ccccc1)NCc1ccco1
54752 [O-][N+](=O)c1ccc(\C=C\C(=O)N(C2CCCCC2)c2ccccn2)cc1
54753 Cc1ccc(o1)-c1nn(cc1\C=C\C(O)=O)-c1ccccc1
54754 OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8|
54755 C\C=C/C=C\C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)\C=C\C=C/C)C(N)=O)C1 |t:15|
54756 NC(=O)NC(=O)C=CC(=O)OCC=C
54757 C\C=C\C=C/C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)\C=C\C)C(N)=O)C1 |t:15|
54758 CC1=C(C#N)C(=O)N(C2CCS(=O)(=O)C2)C(=O)\C1=C/c1ccco1 |c:1|
54759 COc1cc(N2C(=O)C=CC2=O)c(OC)cc1Cl |c:8|
54760 Cn1sc(=O)c2cc(ccc12)S(=O)(=O)NC1CC1
54761 O=S(=O)(c1cccs1)c1nccnc1C#N
54762 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccc(CO)cc1 |c:31,t:5,7|
54763 CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
54764 Clc1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
54765 NC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1cc(Cl)c(N)c(Cl)c1
54766 CC1CC(C)CN(C1)C(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
54767 Cn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)ccc3O)ccc12
54768 CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO
54769 CCOc1cc(\C=C2\NC(=O)NC2=O)cc(Br)c1OCc1ccc(cc1)C(O)=O
54770 CCOc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Br)cc1
54771 CCNc1ccc(cc1N)C(O)=O
54772 OC(=O)CCCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
54773 Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
54774 COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
54775 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1
54776 CCC(C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCC1
54777 CCC(C)(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NC1CCCCC1
54778 C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)\C=C\c1ccccc1
54779 Cc1cccc(C)c1NC(=O)C1(CCCC1)N(Cc1ccco1)C(=O)c1ccccn1
54780 Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
54781 COc1ccc(CN(CC2CCCO2)C(=O)CN2C(=O)COc3ccccc23)cc1OC
54782 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
54783 CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccn1
54784 CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
54785 CCC(C)(N(Cc1cccs1)C(=O)c1ccccn1)C(=O)NC1CCCC1
54786 Cc1cccc(c1)-n1ccnc1CN1CCC(CO)(Cc2ccccc2)CC1
54787 Cc1ccc(Cl)cc1NC(=S)N(Cc1cccs1)C1CCCC1
54788 CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
54789 CC(Sc1nnc(CN2CCCC2)n1Cc1ccccc1)C(=O)Nc1ccc(F)cc1
54790 O=C(NN=Cc1ccc2OCOc2c1)c1cc(nc2ccccc12)-c1ccncc1
54791 COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
54792 CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
54793 CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N1CCOCC1)c1ccccc1
54794 CCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)N1CCC2(CC1)OCCO2)c1ccccc1
54795 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
54796 CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn(Cc2ccccc2)cn1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1 |(7.49,-14.31,;8.26,-12.98,;9.8,-12.99,;10.57,-11.65,;12.11,-11.66,;9.8,-10.32,;8.27,-10.15,;7.96,-8.65,;9.29,-7.88,;10.43,-8.91,;11.94,-8.59,;12.97,-9.74,;12.42,-7.13,;11.39,-5.98,;9.88,-6.3,;8.85,-5.16,;7.35,-5.47,;6.32,-4.33,;6.8,-2.86,;4.81,-4.64,;13.93,-6.81,;14.4,-5.35,;13.38,-4.2,;15.91,-5.03,;16.94,-6.18,;17.26,-7.68,;18.72,-8.16,;16.11,-8.71,;16.39,-3.57,;17.9,-3.25,;18.93,-4.4,;18.37,-1.79,;19.88,-1.47,;20.91,-2.61,;22.44,-2.46,;23.07,-3.86,;24.57,-4.19,;25.05,-5.65,;26.55,-5.98,;27.02,-7.44,;25.99,-8.58,;24.49,-8.26,;24.01,-6.8,;21.92,-4.89,;20.59,-4.12,;17.35,-.64,;17.82,.82,;19.33,1.14,;16.8,1.97,;17.27,3.43,;18.78,3.75,;19.81,2.61,;21.32,2.92,;21.8,4.39,;23.3,4.7,;20.77,5.53,;19.26,5.22,;15.29,1.65,;14.26,2.8,;14.74,4.26,;12.75,2.48,;12.28,1.02,;13.3,-.13,;11.73,3.63,;10.22,3.31,;9.74,1.85,;9.19,4.46,;7.68,4.14,;7.2,2.67,;8.1,1.44,;7.2,.2,;5.75,.67,;4.41,-.1,;3.08,.67,;3.08,2.21,;4.41,2.98,;5.75,2.21,;9.67,5.92,;8.64,7.07,;7.13,6.75,;9.12,8.53,;10.63,8.85,;11.1,10.31,;10.2,11.56,;11.11,12.8,;12.57,12.32,;12.57,10.78,;8.09,9.68,;6.58,9.36,;6.1,7.89,;5.55,10.5,;4.02,10.35,;3.4,11.75,;4.54,12.78,;4.39,14.31,;5.88,12.01,)|
54797 COc1ccc(NC(=S)NC(NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
54798 Cc1[nH]c2ccccc2c1\C=C1/SC(=N)N(C1=O)c1nccs1
54799 Fc1c(F)c(F)c(c(F)c1F)-c1cc(=O)c2ccccc2o1
54800 COc1ccc(cc1)C(=O)C(=C/c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:20,22,(15.5,1.39,;14.16,2.16,;12.83,1.39,;11.49,2.16,;10.16,1.39,;10.16,-.15,;11.49,-.92,;12.83,-.15,;8.83,-.92,;8.83,-2.46,;7.49,-.15,;6.16,-.92,;6.16,-2.46,;4.91,-3.36,;5.39,-4.83,;6.93,-4.83,;7.41,-3.36,;7.49,1.39,;8.83,2.16,;8.83,3.7,;7.49,4.47,;6.16,3.7,;6.16,2.16,;4.62,2.16,;3.85,3.5,;3.08,4.83,;3.85,.83,;3.08,-.51,)|
54801 CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1
54802 COc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1
54803 Clc1cc(Cl)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
54804 Brc1ccc(cc1)C(=O)C(=C\c1ccco1)\N1C=CC=CC1=C(C#N)C#N |c:19,21|
54805 Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl
54806 CCCN(CCC)CC(O)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
54807 COCCN=c1scc(-c2cc(OC)ccc2OC)n1N=Cc1c[nH]c2ccccc12 |w:20.21,4.3|
54808 CC(OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(C)=O)cc1
54809 COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
54810 COCCN(CC(=O)NC1CCCCC1)C(=O)\C=C\C(=O)c1ccc(OC)cc1O
54811 Clc1ncnc2n(-c3ccccc3)c(=S)sc12
54812 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1
54813 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1 |c:25|
54814 Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C
54815 Nc1c2CCCCc2nc2sc3CCCCc3c12
54816 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2Cc1ccc(C)cc1
54817 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
54818 CNc1cc(Cl)c2nonc2c1[N+]([O-])=O
54819 CC(C)(C)c1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
54820 COc1ccc(cc1)-n1nc(C#N)c(Cl)cc1=O
54821 C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1 |t:26|
54822 COc1ccc(C[C@H]2CN3[C@H](CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1 |c:12|
54823 Clc1cnn(CC(=O)N2CCc3ccccc23)c(=O)c1Cl
54824 COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O
54825 CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
54826 [H]C12OC([H])([C@@H](C)[C@H]1C)c1cc(OC)c(OC)c(OC)c1-c1c(OC)c3OCOc3cc21 |TLB:10:9:2:7.5,17:20:2:7.5,6:5:2:31.9.21.20,THB:30:31:2:7.5,22:21:2:7.5,8:7:2:31.9.21.20|
54827 C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|
54828 CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
54829 [O-]c1ccccc1Nc1cc(Cl)c2[nH+]onc2c1[N+]([O-])=O
54830 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(F)cc1)N2Cc1ccc(C)cc1
54831 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccccc1OCC)N2Cc1ccc(C)cc1
54832 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(C)c1)N2Cc1ccccc1
54833 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(OCC)cc1)N2Cc1ccccc1
54834 COc1cc(OC)c(OC)cc1CCC(C)NCCC(c1ccccc1)c1ccccc1
54835 CCN(CC)C(CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1Cl
54836 CCC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 |w:3.2|
54837 COc1ccc(cc1)N1CCN(CCCNC(=O)C(=O)c2c(C)n(C)c3ccccc23)CC1
54838 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
54839 CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
54840 [O-][N+](=O)c1ccc2nc(Cl)nc(-c3ccccc3)c2c1
54841 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(NC(=O)c3cccc(c3)-c3cn[nH]c(=O)c3)c2)cc(c1)C(F)(F)F
54842 COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
54843 CC(C)c1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCC2COc3ccccc3O2)cc1
54844 Cc1cccc(NC(=O)C2=C(N)C(C(=O)N3CCOCC3)\C(S2)=N\c2c(C)cccc2C)c1 |c:9|
54845 CC1CC(C)CN(C1)c1ncc2C(=O)CC(Cc2n1)c1ccccc1Cl
54846 Cc1cc(C(=O)OC(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)c(C)o1
54847 Cc1ccc(cc1)C(=O)C(N1Cc2ccccc2C1=N)c1ccccc1
54848 CCN(CC)C(=S)SC(C)C(=O)c1cc(Br)ccc1O
54849 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
54850 CN(C)C1C2CC3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
54851 CCCCCCC(O)(C(CNCCCCO)c1ccccc1)c1ccc(Br)cc1
54852 CC(C)(C)NN=C1CC(Oc2ccccc12)c1ccccc1 |w:5.4|
54853 CN(C(C)=O)c1ccc(OCC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc23)cc1
54854 Cc1cccc(C)c1OCC(O)Cn1c2ccccc2c2ccccc12
54855 COc1ccc2oc(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c(C)c2c1
54856 Cn1c2nc(SCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
54857 Cc1ccc(cc1)-c1nn(CCC(O)=O)cc1\C=C/C(=O)c1ccc(Br)cc1
54858 COc1ccc(cc1)-c1csc2ncnc(N3CCN(CC3)c3ccccc3Cl)c12
54859 CCOC(=O)c1c(NC(=O)c2cccs2)sc(CC)c1-c1cccs1
54860 Clc1ccc(cc1)-c1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)n1
54862 O=C(c1ccc(cc1)C#N)n1c2ccccc2c2ccccc12
54863 Cc1cc(C)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C)c1
54864 Brc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCC1
54865 Fc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
54866 COc1ccc(Nc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1
54867 CC1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12
54868 COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
54869 CN1C(=S)NC(=O)\C(=C\c2cccn2-c2ccc3ccccc3c2)C1=O
54870 Clc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
54871 Cc1ccc(\C=C\c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1
54872 Clc1cccc(Cl)c1CSc1nnc(\C=C\c2ccccc2)o1
54873 COCc1cc(Sc2c(Cl)cccc2Cl)nc(n1)-c1ccccc1
54874 COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1
54875 FC(F)(F)c1nc(nc2CCCCCc12)N1CCN(CC1)c1ccccc1
54876 Clc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
54877 Fc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)Nc1ccc(Cl)cc1
54878 Cn1nc(c2cc(COc3ccc(Cl)cc3Cl)sc12)C(F)(F)F
54879 O=C(CSc1ccncc1)N1c2ccccc2Sc2ccccc12
54880 Cc1cccc(C)c1Oc1nc(ncc1S(=O)(=O)c1ccccc1)-c1ccccc1
54881 Cc1cc(C)c2nc(cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)c2c1)-c1ccncc1
54882 COc1cccc(c1)C(=O)n1c2ccccc2c2ccccc12
54883 CCCOc1ccc(cc1)-c1nc(OC)c2ccccc2n1
54884 O=C(CSc1cccs1)N1c2ccccc2Sc2ccccc12
54885 CCN(CC)C(=S)SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
54886 CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc12
54887 Cc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
54888 Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2cccc(C)c2)n1CC=C)C(F)(F)F
54889 Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
54890 Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccccc1)c1ccc(O)cc1
54891 O=C(CSc1ccccc1)N1c2ccccc2Sc2ccccc12
54892 FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
54893 CN(C)c1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
54894 FC(F)(F)c1ccccc1C(=O)n1c2ccccc2c2ccccc12
54895 OCCNc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N1CCCC1
54896 [O-][N+](=O)c1ccccc1NCCNc1ncc(cc1Cl)C(F)(F)F
54897 COc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
54898 FC(F)(F)c1cccc(c1)-c1cc2ccccc2nc1N1CCCC1
54899 CC(C)c1cc2c(CN(C)Cc3ccccc3)cc(=O)oc2cc1C
54900 Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1
54901 COCCn1nnnc1C(N1CCc2ccccc2C1)c1cc2ccc(OC)cc2[nH]c1=O
54902 CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F
54903 C[N+]1(CCNC(=O)CN=O)CCCCC1
54904 COc1cc(CC(=O)NCc2ccc3OCOc3c2)cc(OC)c1OC
54905 Cc1cc(C)n2ncc(C(=O)Nc3ccc4OCOc4c3)c2n1
54906 O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccco1
54907 Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1
54908 CCCCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)c2nc3ccccc3nc12
54909 COC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3Cl)sc2=O)c1
54910 Fc1cccc(c1)C(=O)NN=Cc1ccc(OC(=O)c2cccs2)cc1
54911 COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F
54912 CCOC(=O)C1(C)CC(=Nc2ccc(O)cc2)C(=O)N1c1ccc(O)cc1 |w:9.9|
54913 O=C(CC1Nc2cccc3cccc(NC1=O)c23)Nc1ccccc1
54914 OC(=O)c1cc(Cl)c(Cl)cc1C(=O)Nc1cccc2cccnc12
54915 CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
54916 O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
54917 Oc1ccc(cc1)\N=C\c1sc2ccccc2c1Cl
54918 CCC1=Nc2cc(ccc2Sc2ccccc12)C(O)=O |t:2|
54919 COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccco1
54920 [#6]-[#7](-[#6])-c1cccc2c(\[#6]=[#6](\C#N)C#N)ccc(-[#7](-[#6])-[#6])c12
54921 CC1(C)OC(C)(C)C(=CNc2ccc(O)cc2)C1=O |w:8.8|
54922 Oc1c2CC=CCc2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Br)cc1 |c:4|
54923 CC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccc2nnc(C)n2n1
54924 Oc1ccc(cc1)\N=C\c1ccc(OCc2ccccc2)cc1
54925 O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NCc1ccco1
54926 [O-][N+](=O)c1ccc(cc1)-n1[nH]c(=O)c2ccccc2c1=O
54927 O=C1C=C(NCc2ccccc2)c2ccccc2C1=O |t:2|
54928 CC(C)(C)c1ccc(cc1)C(CC(O)=O)NC(=O)Cc1ccc(F)cc1
54929 Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1
54930 OC(=O)Cc1ccc(NC(=O)c2cc3cccc(CC=C)c3oc2=O)cc1
54931 Fc1ccc(C=NNC(=S)Nc2cccnc2)cc1F |w:6.6|
54932 O=C(OCc1nnc(o1)-c1ccccc1)\C=C\c1ccco1
54933 Brc1ccc(cc1)C(=O)NN=Cc1cccc(Br)c1
54934 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(=O)[nH]c1
54935 CC1=CC(C)(C)N2C(=O)\C(=N\c3ccc(O)cc3)c3cccc1c23 |t:1|
54936 OC(=O)c1ccc(C=NNC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1
54937 COCCCn1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12
54938 Cc1c(sc2nc(CSc3ncc(cc3Cl)C(F)(F)F)[nH]c(=O)c12)C(O)=O
54939 CC(C)COc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CC(O)=O)C1=O)-c1ccccc1
54940 OC(=O)c1sccc1Oc1ccc(NC(=O)c2ccccc2F)cc1
54941 CCCCNc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1
54942 NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
54943 Cc1ccccc1NC(=O)CN1C(=O)N\C(=C/c2ccccc2OCc2ccc(cc2)C(O)=O)C1=O
54944 Oc1ccc(Cl)cc1N=Nc1c(O)c2c(O)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O |w:9.10|
54945 CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccc(C)cc1
54946 C[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
54947 Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(O)=O)ccc2c(C)c(Cc3ccccc3)c(=O)oc12
54948 OC(=O)CCCCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
54949 CSc1ccccc1C(=O)NC(C)c1ccc(cc1)-n1ccnc1
54950 C1CCC(CC1)c1nn2c(nnc2s1)-c1ccco1
54951 c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccco1
54952 C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccco1
54953 COc1cc(ccc1-c1nn2c(nnc2s1)-c1ccco1)[N+]([O-])=O
54954 C1CCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
54955 c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1ccccn1
54956 C1CCCC(CC1)c1nn2c(nnc2s1)-c1ccccn1
54957 COc1cc(ccc1-c1nn2c(nnc2s1)-c1ccccn1)[N+]([O-])=O
54958 COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
54959 CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
54960 C(c1cccs1)c1nn2c(nnc2s1)-c1ccncc1
54961 CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1cccs1
54962 Cc1sccc1C1C(C#N)C(=N)SC(=N)C1C#N
54963 CC1(C)Cc2c(CS1)c(nc(N1CCN(CC1)C(=O)c1ccco1)c2C#N)-c1ccco1
54964 Cc1ccc(cc1)-c1nc(=S)c2COC(C)(C)Cc2n1Cc1ccco1
54965 CCc1nnc(NCC(=O)N2CCc3ccccc23)s1
54966 CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
54967 Brc1cc2[nH]cnc2c2ccccc12
54968 Cc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccc2OCOc2c1
54969 COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1ccc(Br)cc1
54970 COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1
54971 Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c2cccc(C)c2n1
54972 COc1cc([CH+]c2c(C)[n-]n(-c3ccccc3)c2=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
54973 CCOC(=O)c1sc(NC(=S)NC(=O)C2CCCC2)cc1C
54974 CCOC(=O)c1sc(NC(=S)NC(=O)C2CC2)cc1C
54975 COc1ccc(NC(=O)c2c3CCCc3nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
54976 NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc23)cc1
54977 S=c1[nH]ncn2c1cc1oc3ccccc3c21
54978 Cc1cccc2C(=[NH+]Nc3ccc(cc3[N+]([O-])=O)S(=O)(=O)Nc3ccc(Cl)cc3)C(=O)[N-]c12 |w:7.7|
54979 COC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)sc2CCCCCc12
54980 [O-][N+](=O)c1ccc(Cl)c2NC(C3CC=CC3c12)c1ccccn1 |c:13|
54981 Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1[CH+]\C=C\c1ccc(o1)[N+]([O-])=O
54982 Cc1nnc2ccc(nn12)-c1ccc(NC(=O)Cc2cccs2)cc1
54983 Cc1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1S(=O)(=O)N1CCOCC1
54984 Cc1cc(C(=O)NN=C2CC(=O)c3ccccc23)c(C)n1-c1ccc(F)cc1
54985 COc1ccccc1\C=C\C=c1sc2nc(=O)c(Cc3ccccc3)nn2c1=O
54986 Cn1cccc1\C=C1\C(=O)NC(=S)N(Cc2ccc(F)cc2)C1=O
54987 CC1(O)C(=O)C=C2C=C(OC=C2C1=O)c1ccc(cc1)C#N |c:7,10,t:5|
54988 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C |c:9,32|
54989 S=c1[nH]c(Cc2ccccc2)nc2ccccc12
54990 Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCCN4CCCCCC4)nn3c2C)cc1
54991 COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc2NC(CSCc3ccc(C)cc3)C(=O)Nc2c1
54992 COc1ccc(cc1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)Nc2cccc(O)c2)n1
54993 CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)|
54994 CC1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)COc2ccc(C)cc2)s1
54995 COc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(OC)c1
54996 Cc1ccc(cc1)C1CC(=NN1C(=O)CSc1nc2cc(C)ccn2c(=O)n1)c1cccs1 |c:10|
54997 COc1ccc(cc1)C1CC(=NN1C(=O)CSc1nc2cc(C)ccn2c(=O)n1)c1cccs1 |c:11|
54998 CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(c1)-n1cccc1
54999 COCCN(C(=O)COC(=O)c1cc2CCCc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
55000 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc2ccccc2n1
55001 Brc1ccc(C=CC(=O)OCC(=O)c2ccc3OCC(=O)Nc3c2)o1 |w:5.4|
55002 COc1cccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)c1
55003 COc1ccc(cc1NC(=O)c1cccc(c1)-n1cccc1)S(=O)(=O)N1CCOCC1
55004 Brc1ccc(C=CC(=O)OCc2nc3ccsc3c(=O)[nH]2)o1 |w:5.4|
55005 COc1ccc2oc(C(=O)Nc3ccc(cc3)N3CCOCC3)c(C)c2c1
55006 CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)cc2)cc1
55007 COc1ccc(NC(=O)CN(C)C(=O)c2cc3CCCc3s2)cc1
55008 NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1 |t:8|
55009 Cc1ccc2nc(N=NCc3ccc(o3)[N+]([O-])=O)nc(-c3ccccc3)c2c1 |w:7.6|
55010 Cn1cc(ccc1=O)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:11.11|
55011 Cc1ccc(cc1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
55012 Cc1ccc(OCCn2cccc2\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1
55013 COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1O
55014 CCN1CCN(CC1)c1cc(N2CCN(CC2)C(=O)c2ccco2)c2C(=O)c3ccccc3-c3onc1c23
55015 Cc1cc2cc(C(N3CCc4ccccc4C3)c3nnnn3Cc3ccco3)c(=O)[nH]c2cc1C
55016 Clc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1ccco1
55017 CCCCNC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC=C
55018 CC(C)C(C)(NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)C#N
55019 O=c1n(c(SCc2cn3cccnc3n2)nc2scc(-c3ccco3)c12)-c1ccccc1
55020 O=C(N1CCN(CC1)c1ccccc1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
55021 COc1ccc(OC)c(c1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1F |c:21|
55022 COc1c(N2CCN(C(C)C2)C(=S)NCc2ccccc2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
55023 CC(C)NC(=O)c1cc(nn1-c1ccc(Cl)cc1)-c1ccco1
55024 FC(F)(F)c1cccc(c1)-c1ccc(\C=C2/N=C(OC2=O)c2ccco2)o1 |c:17|
55025 O=C(NNC=C1C(=O)NC(=S)N(CCC2=CCCCC2)C1=O)c1ccccc1 |w:4.3,t:14|
55026 COc1ccccc1\C=C\C1=N\C(=C/C=C\c2ccccc2)\C(=O)O1 |t:11|
55027 CCCCCOc1ccc(C=c2sc3nc(=O)c(nn3c2=O)-c2ccccc2)cc1OC
55028 CCCCCCCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccccc1[N+]([O-])=O
55029 Cc1ccc(cc1)C(CCN(Cc1ccccc1)C(=O)c1ccco1)c1ccco1
55030 O=C(Nc1nc(-c2ccco2)c(s1)-c1ccco1)C1CCC1
55031 Cc1cn2c([NH-])c([CH+]c3ccc(o3)[N+]([O-])=O)c(=O)nc2s1
55032 O=C(CCCSc1ccccc1)Nc1nc(-c2ccco2)c(s1)-c1ccco1
55033 CCOc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1
55034 CC(Oc1ccccc1)C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N
55035 [O-][N+](=O)c1c[c-](Cc2ccccc2)cc(\C=[NH+]\c2ccc(cc2)N2CCOCC2)c1=O
55036 Cc1ccc(cc1C)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:15.16,17.18|
55037 Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)o1)C(O)=O
55038 CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(C(=O)c4c(O)cccc4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
55039 Cc1cccc(n1)N1C(C(C(=O)c2cccs2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
55040 CC(C)c1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1c1cccc(C)n1
55041 Oc1c(C=CC=CC=Nc2ccccc2)sc(=S)n1Cc1ccccc1 |w:8.8,3.2,5.4|
55042 Oc1cc(CSc2ccc(Cl)cc2)nc2[nH]n(-c3ccccc3)c(=O)c12
55043 [O-]c1[nH]c(=O)n(-c2ccccc2)c(=O)c1[CH+]c1ccc(s1)[N+]([O-])=O
55044 Oc1ccc(ccc1=O)N=Nc1ccccc1 |w:10.11|
55045 [H]C12CC(NC(=S)NN=Cc3cc(Cl)cc(Cl)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
55047 OC(=O)c1ccc(COc2ccc(\C=C(/C#N)C(=O)NCc3ccccc3)cc2)cc1
55048 CC(=NNC(N)=S)c1cc(c(s1)-c1ccccc1)-c1ccccc1 |w:2.2|
55049 CCCCOc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
55050 OC(=O)c1cccc(c1)-n1c(\C=C\c2ccccc2)nc2ccccc2c1=O
55051 Cc1ccc(o1)C(=O)\C=C\c1cc(Br)cc(Br)c1O
55052 CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccccc1F
55053 Cc1cc(O)c(C(=O)C=Cc2c(F)c(F)c(F)c(F)c2F)c(=O)o1 |w:9.9|
55054 COc1ccc(cc1)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccc(cc1)C(C)C
55055 COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
55056 CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccc(OC)cc1
55057 CCCOc1ccc(cc1OC)-c1nc(SCc2ccccc2)[nH]c(=O)c1C#N
55058 Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
55059 Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
55060 COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCCCC4C)c3=O)c2c1
55061 COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1cc(OC)ccc1OC
55062 Cc1ccc(o1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
55063 CCCOc1ccc(cc1OCC)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
55064 Cc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(O)cc1
55065 CCCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
55066 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
55067 CCCCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
55068 CCCCOc1ccc(cc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccco1
55069 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccccc1
55070 COc1cc(ccc1OCc1ccccc1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1c1cc(C)on1
55071 Cc1occc1C(=O)NNC(=S)NC(=O)COc1ccc(Cl)cc1Cl
55072 Cc1ccc(o1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccc(Cl)c1
55073 Oc1c(Cl)cc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1Cl |w:7.7|
55074 COc1ccc(cc1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1c1nc(C)c(s1)C(C)=O
55075 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1ccc(OCc2ccccc2)cc1
55076 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1cccc(Oc2ccccc2)c1
55077 COc1ccc(cc1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
55078 Cc1cc(no1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Oc2ccccc2)c1
55079 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(C)cc1
55080 NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
55081 [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])C2C(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6|
55082 COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
55083 Clc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
55084 Fc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl
55085 Oc1ccc(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(3.08,5.02,;4.54,5.5,;5.02,6.96,;6.56,6.96,;7.04,5.5,;8.5,5.02,;5.79,4.59,;5.79,3.05,;7.12,2.28,;7.12,.74,;5.79,-.03,;5.79,-1.57,;7.12,-2.34,;8.46,-1.57,;7.12,-3.88,;5.79,-4.65,;5.79,-6.19,;7.12,-6.96,;8.46,-6.19,;8.46,-4.65,;4.46,.74,;4.46,2.28,;3.12,3.05,)|
55086 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)c2ccccc2C1=O
55087 Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ccccn2)cc1Cl
55088 Oc1c2CCCCc2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |(7.68,2.7,;7.2,1.24,;5.75,.77,;4.41,1.54,;3.08,.77,;3.08,-.77,;4.41,-1.54,;5.75,-.77,;7.2,-1.24,;7.68,-2.7,;8.1,,;9.64,,;10.41,1.33,;11.95,1.33,;12.72,,;14.26,,;15.03,1.33,;14.26,2.67,;16.57,1.33,;17.34,2.67,;18.88,2.67,;19.65,1.33,;18.88,,;17.34,,;11.95,-1.33,;10.41,-1.33,;9.64,-2.67,)|
55089 Oc1c2[C@H]3CC[C@H](O3)c2c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl |wU:3.7,wD:6.6,TLB:9:8:7:5.4,THB:1:2:7:5.4,(10.27,3.88,;9.13,2.85,;7.63,3.17,;3.79,4.86,;.97,3.69,;1.37,2.21,;4.19,3.38,;4.93,6.38,;6.86,1.84,;7.89,.7,;7.57,-.81,;9.29,1.32,;10.62,.55,;10.62,-.99,;11.95,-1.76,;13.29,-.99,;14.62,-1.76,;14.62,-3.3,;13.29,-4.07,;15.95,-4.07,;17.29,-3.3,;18.62,-4.07,;18.62,-5.61,;17.29,-6.38,;15.95,-5.61,;13.29,.55,;11.95,1.32,;11.95,2.86,)|
55090 [H][C@@]12C(C(=O)N(C1=O)c1ccc(NC(=O)c3ccccn3)cc1Cl)[C@@]1([H])CC[C@]2([H])C=C1 |c:34,TLB:6:1:27.26:30.31,THB:3:2:27.26:30.31|
55091 CC1(C)c2c1c(O)n(c2O)-c1ccc(NC(=O)c2ccccn2)cc1Cl |(19.1,-1.33,;18.33,,;19.1,1.33,;17,.77,;17,-.77,;15.54,-1.25,;15.06,-2.71,;14.63,,;15.54,1.25,;15.06,2.71,;13.09,,;12.32,-1.33,;10.78,-1.33,;10.01,,;8.47,,;7.7,-1.33,;8.47,-2.67,;6.16,-1.33,;5.39,,;3.85,,;3.08,-1.33,;3.85,-2.67,;5.39,-2.67,;10.78,1.33,;12.32,1.33,;13.09,2.67,)|
55092 CC1(C)CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl
55093 Clc1cc(NC(=O)c2ccccn2)ccc1N1C(=O)CC2(CCCCC2)C1=O
55094 Oc1cc(c(O)n1-c1ccc(NC(=O)c2ccccn2)cc1Cl)-c1ccccc1 |(3.08,3.07,;4.54,3.55,;5.02,5.01,;6.56,5.01,;7.04,3.55,;8.5,3.07,;5.79,2.64,;5.79,1.1,;7.12,.33,;7.12,-1.21,;5.79,-1.98,;5.79,-3.52,;7.12,-4.29,;8.46,-3.52,;7.12,-5.83,;8.46,-6.6,;8.46,-8.14,;7.12,-8.91,;5.79,-8.14,;5.79,-6.6,;4.46,-1.21,;4.46,.33,;3.12,1.1,;7.47,6.26,;9,6.1,;9.9,7.34,;9.28,8.75,;7.74,8.91,;6.84,7.66,)|
55095 CC1(CC(=O)N(C1=O)c1ccc(NC(=O)c2ccccn2)cc1Cl)c1ccccc1
55096 OC(=O)c1c[nH]nc1-n1cnnn1
55097 OC(=O)CSc1nnc[nH]1
55098 O=C(CSc1nnc[nH]1)OCN1C(=O)c2ccccc2C1=O
55099 CN1C(=O)N(C(n2cncn2)C1(C)C)c1cccc2ccccc12
55100 Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br
55101 O=C(CSc1nnc(o1)-c1ccccc1)Nn1cnnc1
55102 Cc1c(cnn1C)C(=O)c1n[o+]n([O-])c1C(=O)c1cnn(C)c1C
55103 O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1
55104 Oc1c(C=Nn2cnnc2)c2ccccc2c(=O)n1-c1ccccc1 |w:4.4|
55105 FC(F)(F)C1(NC(=O)N2CCC3(CC2)OCCO3)Oc2ccccc2O1
55106 Cc1cc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)no1
55107 COCC(C)NC(=O)NC1(Oc2ccc(Cl)cc2O1)C(F)(F)F
55108 Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl
55109 COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1
55110 Clc1cc(Br)ccc1NC(=O)Nn1cnnc1
55111 O=C(Nn1cnnc1)c1ccccc1-c1ccccc1
55112 Cc1c(oc2ccccc12)C(=O)Nn1cnnc1
55113 O=C(Nn1cnnc1)c1csc2ccccc12
55114 Cc1scc(C(=O)Nn2cnnc2)c1-c1ccccc1
55115 O=C(CSc1nnc[nH]1)Nc1nc(ns1)-c1ccccc1
55116 COc1cccc(c1)-c1cc(C(=O)Nn2cnnc2)c2ccccc2n1
55117 COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1
55118 Cc1ccc(cc1)-n1c(O)c(C=Nn2cnnc2)c2ccccc2c1=O |w:12.13|
55119 COc1ccc(cc1)-n1c(O)c(C=Nn2cnnc2)c2ccccc2c1=O |w:13.14|
55120 COc1cc(Br)cc(C=Nc2nnc[nH]2)c1O |w:9.9|
55121 NCCc1ccc(O)c(O)c1
55122 COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl
55123 Cc1ccc(cc1-c1[nH+]c([nH]c1-c1ccccc1)-[c-]1ccc(=O)c(O)c1)[N+]([O-])=O
55124 O=S(=O)(Nn1cnnc1)c1ccccc1
55125 FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N2CCOCC2)Oc2ccccc2O1
55126 CC1(C)Cc2oc3cc(O)c(O)cc3c2C(=O)C1
55127 C(Nc1ccccn1)n1cncn1
55128 COc1ccc(Cl)cc1NC(=O)Nn1cnnc1
55129 CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccccc3O2)C(F)(F)F)n1
55131 NC(N[N+]([O-])=O)=NN=Cc1ccc(O)cc1O |w:7.6,1.0|
55132 O=C(Nn1cnnc1)C=Cc1ccccc1 |w:9.10|
55133 [O-][N+](=O)c1ccc(NC(=O)CSc2nnc[nH]2)c(Br)c1
55134 Oc1ccc(cc1O)-c1csc(n1)-c1cccnc1
55135 Brc1ccccc1C(=O)NC(=S)Nn1cnnc1
55136 Cc1cccc(NC(=S)Nn2cnnc2)c1C
55137 COc1cccc2c(SCC(=O)NN=Cc3ccc(O)c(O)c3)cc(C)nc12 |w:13.12|
55138 CC(C)(C)c1ccc(O)c(c1)N=Cc1cc(Br)ccc1O |w:11.11|
55139 Fc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|
55140 Br\C(C=Nn1cnnc1)=C/c1ccccc1
55141 CCOc1cc(cc(OCC)c1OCC)C(=O)NC(=S)Nn1cnnc1
55142 CCOC(=O)NC(=O)COC(=O)c1ccc(Sc2nnc[nH]2)c(c1)[N+]([O-])=O
55143 COc1cccc(C(=O)NC(=S)Nn2cnnc2)c1OC
55144 Cc1nnc(NNS(=O)(=O)c2ccc(Cl)cc2)[nH]c1=O
55145 O=c1[nH]c(CSc2nnc[nH]2)nc2ccccc12
55146 CC1(C)C2(CN3CC1(CN(C2)C3c1ccc(O)c(O)c1)[N+]([O-])=O)[N+]([O-])=O |TLB:12:11:4:1.7.6,1:7:3.4.10:11,1:3:7.6.8:11,THB:8:7:4:9.10.11,12:11:3.4.10:7.6.8,23:3:7.6.8:11,(9.98,-4.95,;9.98,-3.41,;11.31,-4.18,;10.93,-2.01,;10.93,-.52,;9.65,.22,;8.58,-1.07,;8.58,-2.68,;7.07,-2.75,;8.36,-2.01,;9.65,-2.48,;8.36,-.52,;7.27,.57,;5.78,.17,;4.69,1.26,;5.09,2.74,;4,3.83,;6.58,3.14,;6.98,4.63,;7.67,2.05,;7.59,-3.86,;6.08,-3.59,;8.12,-5.31,;12.42,-2.41,;13.51,-1.32,;12.82,-3.9,)|
55147 Clc1ccc(Cl)c(NC(=S)Nn2cnnc2)c1
55148 O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)|
55149 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nn1cnnc1
55150 Oc1ccc(C=NN=Cc2ccc(O)c(O)c2)cc1O |w:6.6,8.8|
55151 Cc1cc(=O)[nH]c(SCC(=O)c2ccc(O)c(O)c2)n1
55152 Clc1ccc(NC(=O)Nn2cnnc2)cc1Cl
55153 CC1=NC(=O)NC(C1[N+]([O-])=O)c1ccc(O)c(O)c1 |t:1|
55154 [O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(Cc1ccccc1)c2=O
55155 Oc1ccc(CCNC(=O)CNC(=O)c2ccccc2)cc1O
55156 Oc1ccc(CCNC(=O)C2COc3ccccc3O2)cc1O
55157 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nn1cnnc1
55158 Oc1ccc(C=Nn2cncn2)cc1O |w:6.6|
55159 OC(Cn1cnnc1)c1ccccc1
55160 CCOC(=O)C1C(NC(=O)N=C1CS(=O)(=O)c1ccc(F)cc1)c1ccc(O)c(O)c1 |c:10|
55161 CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1
55162 Clc1ccccc1NC(=O)Nn1cnnc1
55163 [O-][N+](=O)c1ccc(NC(=O)Nn2cnnc2)cc1
55164 Clc1ccc(NC(=O)Nn2cnnc2)c(Cl)c1
55165 Cc1c(Cl)cccc1NC(=O)Nn1cnnc1
55166 FC(F)(F)c1cccc(NC(=O)Nn2cnnc2)c1
55167 Cc1ccc(Cl)cc1NC(=S)Nn1cnnc1
55168 COc1cc(ccc1NC(=S)Nn1cnnc1)[N+]([O-])=O
55169 COc1cc(ccc1NC(=O)Nn1cnnc1)[N+]([O-])=O
55170 Cc1ccc(Cl)cc1NC(=O)Nn1cnnc1
55171 COc1ccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)cc1OC
55172 Clc1cccc(NC(=O)Nn2cnnc2)c1Cl
55173 Oc1ccc(\C=C\C(=O)NC(=O)c2ccccc2O)cc1O
55174 Fc1ccc(NC(=O)Nn2cnnc2)cc1Cl
55175 Cc1ccc(NC(=S)Nn2cnnc2)c(C)c1
55176 CCc1ccccc1NC(=S)Nn1cnnc1
55177 Clc1ccc(Cl)c(NC(=O)Nn2cnnc2)c1
55178 [O-][N+](=O)c1cccc(NC(=O)Nn2cnnc2)c1
55179 CCOC(=O)c1ccc(NC(=O)Nn2cnnc2)cc1
55181 Cc1nc2ccccn2c1C(=O)NNC(=O)Nc1ccccc1
55182 [#8]-c1cc(F)ccc1-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)o1
55183 CC1(C)NC(=O)N(CC(O)COC2CCCCC2)C1=O
55184 Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(cc1)S(=O)(=O)N1CCOCC1
55185 CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1
55186 Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n1
55187 OCCCCNc1cccc2ccccc12
55188 CC#CCN(CC#CC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
55189 CC1CCCC(C)N1C(=O)CSc1nnc2cc(C)nc(N)n12
55190 O=S(=O)(N1CCCC1)c1ccc(cc1)-c1nnc(SCc2ccccc2)o1
55191 COc1cc2cc(C(O)=O)n(C)c2c(OC)c1OC
55192 CCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O
55193 Cc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc32)c(=O)c2ccccc12
55194 Cc1ccc(cc1)C(N(Cc1ccco1)C(=O)CNC(=O)c1ccco1)C(=O)NCc1ccco1
55195 O=C(NC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1
55196 Cc1cc2n(C)c3c(cnn(CC(=O)NCCc4ccccc4)c3=O)c2s1
55197 COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
55198 CC(C)N1CC(=Cc2cccnc2)C2=C(C1)C(C(C#N)C(=N)O2)c1cccnc1 |w:6.6,c:14|
55199 COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cnn(c1)C(C)C
55200 Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1
55201 COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1ccco1
55202 CCN1C(=O)C2C(NC(C)(C2C1=O)C(=O)OC)c1ccc(O)c(OC)c1
55203 Nc1c(nnn1Cc1ccccc1)C1=NCCO1 |t:15|
55204 Nc1ccc(cc1)-n1nnnc1-c1ccco1
55205 COc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2CC=C)ccc1NC(=O)c1ccco1
55206 Fc1ccc(cc1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1
55207 CCOc1ccc(cc1OCC)-c1nnn(CC(=O)Nc2ccccc2OC)n1
55208 O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)N1CCOCC1
55209 O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2ccccc2s1
55210 Cc1c(C)c2ccccc2n1CC(O)CN1CCOCC1
55211 COCCn1c(SCC(=O)N2CCCc3ccccc23)nc2ccccc2c1=O
55212 CC(C)(C)NC(=O)COc1ccc(CNn2nnnc2N)cc1
55213 Cc1ccc2nc(SCC(=O)NCc3ccco3)c(cc2c1)C#N
55214 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccc2OCOc2c1
55215 OC(=O)C1CCCN1c1ncccn1
55217 COc1nccc(Nc2ccccc2)c1C#N
55218 OCC1(CO)COC2(CCCC2)N1
55219 CN1C(=O)NC2(N(C)C(=O)N(C)C12c1ccccc1)c1ccccc1
55220 CCCSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(C)cc1
55221 Cn1ncc(N=Cc2ccccc2O)c1C(=O)N1CCOCC1 |w:5.4|
55222 CCCCCOC(=O)CSc1nnc(o1)-c1cc(OC)c(OC)c(OC)c1
55223 O=C(CC(N1C(=O)c2ccccc2C1=O)c1ccccc1)[CH-][N+]#N
55224 CC[n+]1cc(nc(n1)N1CCOCC1)-c1ccccc1
55225 CCc1[nH]c(=O)c(C#N)c2CCCCc12
55226 CCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2C(=O)OC)c1=O
55227 CCCCNC(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c1ccccc1
55228 COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc12
55229 Cc1cccc(c1)-n1ncc(C#N)c1N
55230 CC(C)Cc1ccc(s1)C(N=O)C(O)=O
55231 Cc1[nH]nc2C(=O)N(C(c12)c1ccccn1)c1ccc(C)cc1
55232 Nc1nc2NC(CC(c3ccco3)n2n1)c1ccccc1
55233 Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1
55234 Cc1[nH]nc2C(=O)N(C(c3ccco3)c12)c1ccc(C)cc1
55235 CC1CCCCN1C(=O)C12CCC(C)(C(C1)N=O)C2(C)C |THB:16:14:18:10.11|
55236 COc1ccc(cc1)N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1OC
55237 CCOC(=O)C1CCN(CC1)c1ncnc2c3cc(Br)ccc3oc12
55238 NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccccc2)cc1
55239 CNC(=O)OCc1cccc(COC(=O)NC)n1
55240 CCOc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1
55241 CC(C)(C)NC(=O)c1ccccc1-c1nc(no1)-c1ccccc1Cl
55242 CC(C(=O)c1ccccc1)n1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCOCC1
55243 COc1cc(cc(OC)c1OC)-c1noc(n1)-c1ccccc1C(=O)NCc1ccco1
55244 CC(C)[C@H](NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C(O)=O
55245 COc1ccc(N2CC(C)Cn3c2nc2n(C)c(=O)n(Cc4ccccc4F)c(=O)c32)c(OC)c1
55246 CCCc1cc(=O)n2[nH]cnc2n1
55247 COc1ccc(cc1)-c1cc(n2nc(nc2n1)C(O)=O)C(F)(F)F
55248 Nn1c(SCc2nc3ccccn3c2Br)nnc1-c1cccnc1
55249 CCc1n[nH]c(=O)n1Cn1c(CC)n[nH]c1=O
55250 COc1ccc(OC)c(N)c1
55251 FC(F)(F)c1cccc(CC(=O)OCC(=O)NCC2CCCO2)c1
55252 CN(C)C=Nc1c(cnn1-c1ccc(cn1)C(F)(F)F)C#N
55253 Clc1cccc(NC(=O)COC(=O)c2ccccn2)c1
55254 CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
55255 Cc1cc(C2N=C(N)Nc3nc4ccccc4n23)c(C)n1-c1ccccc1Cl |t:5,(5.56,-2.43,;6.82,-1.54,;6.83,-0,;8.3,.45,;8.8,1.91,;10.37,2.24,;10.86,3.76,;12.37,4.09,;9.78,4.94,;8.22,4.59,;6.97,5.49,;5.73,4.59,;4.16,4.94,;3.08,3.76,;3.58,2.24,;5.15,1.91,;6.2,3.12,;7.74,3.12,;9.19,-.8,;10.73,-.82,;8.28,-2.04,;8.73,-3.51,;10.24,-3.84,;10.7,-5.31,;9.65,-6.45,;8.15,-6.11,;7.69,-4.64,;6.19,-4.3,)|
55256 CCCOc1ccc(NC(N)=O)cc1OCCC
55257 CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccco1
55258 Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
55259 Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1
55260 CC1Cc2ccccc2N1C(=O)CSc1nc(C)cc(=O)[nH]1
55261 COc1cc(cc(Br)c1O)C1NC(=NO1)c1ccccc1 |c:13|
55262 O=C1N(CCCCSc2nnc3ccccn23)C(=O)c2ccccc12
55263 CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1
55264 C1CN(CCO1)c1ccc(C=Nn2cnnc2)s1
55265 O=C(COC(=O)C1=COCCO1)c1ccc(cc1)S(=O)(=O)N1CCCC1 |t:6|
55266 Cc1ccc(cc1F)C(=NC(=O)N1CCOCC1)C(Cl)Cl |w:9.10|
55267 CCCN(CCC)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2OCOc2c1
55268 OC(c1c[nH]c2ccccc12)c1ccccn1
55269 COc1ccc(CNC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)cc1OC
55270 CCOc1ccc(CCNS(=O)(=O)c2c[nH]cn2)cc1OCC
55271 CC1Cc2nc(SCC(=O)N3CCc4ccccc34)n(C)c(=O)c2S1
55272 CCOC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1
55273 Fc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCC1CCCO1
55274 CCn1c2ccccc2c(OCC(=O)NCCCN2CC(C)CC(C)C2)cc1=O
55275 O=C(NCc1cccnc1)c1cc(on1)-c1cccs1
55276 Nc1cc(ccc1Nc1ccc(F)c(F)c1)C(O)=O
55277 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCc1ccc(OCC)c(OCC)c1
55278 Fc1ccc(CC(=O)N(C2CS(=O)(=O)C=C2)c2ccc(F)cc2)cc1 |c:14|
55279 O=C(NCCN1CCOCC1)c1csc2CCCCc12
55280 CC(=O)N1C(=O)C2(C(C#N)C(=N)Oc3[nH]nc(c23)-c2ccccn2)c2ccccc12
55281 COc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c(OC)c1
55282 COc1ccc2cc3cc(oc3nc2c1)C(=O)Nc1ccc2OCCOc2c1
55283 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#8]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |t:1,4|
55284 CSc1sc(C)cc1C1C(C#N)C(=N)N(C2=C1C(=O)CCC2)c1cccnc1 |c:16|
55285 C1CN(CCN1c1ccccc1)c1nc(nc(n1)-n1ccnc1)-c1ccccc1
55286 C[N+](C)(C)CCNC(=O)c1c(O)c2CCCCc2[nH]c1=O
55287 O=C(NCc1ccco1)c1ccc(Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)cc1
55288 CCn1cnc2sc(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c(C)c2c1=O
55289 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC1CCC(CC1)C(=O)NCCCN1CCOCC1 |(5.75,-11.17,;5.75,-9.63,;4.41,-8.86,;4.41,-7.32,;3.08,-6.55,;5.75,-6.55,;7.08,-7.32,;8.41,-6.55,;7.08,-8.86,;5.75,-5.01,;7.29,-5.01,;4.21,-5.01,;5.75,-3.47,;7.08,-2.7,;7.08,-1.16,;8.41,-.39,;8.41,1.16,;7.08,1.93,;5.75,1.16,;5.75,-.39,;7.08,3.47,;5.75,4.24,;8.41,4.24,;8.41,5.78,;9.75,6.55,;9.75,8.09,;11.08,8.86,;11.08,10.4,;12.42,11.17,;13.75,10.4,;13.75,8.86,;12.42,8.09,)|
55290 COc1ccc(cc1OC)C(=O)COC(=O)c1ccc(OC)c(OC)c1
55291 O=C(NCCCN1CCCCCC1)c1ccc(cc1)N1CCCC1=O
55292 Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NCc1ccccn1
55293 CCc1cccc(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)c1
55294 Cc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(C)c1
55295 CCOc1ccc(cc1)-n1c(SCC=C)nnc1-c1ccncc1
55296 CC(=O)OCc1cc(=O)n(C)c(=O)n1C
55297 NC(=O)CCn1c2ccccc2oc1=O
55298 COc1ccc(OCc2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1
55299 CC1CN(CC(C)O1)c1nc(nc2c(C)cc(C)cc12)C(F)(F)F
55300 CN(CC(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
55301 COC(=O)COc1ccc(cc1)S(=O)(=O)Nc1ccccc1SC
55302 CC(C)n1c(nc2ccccc12)C(O)c1ccc(C)cc1
55303 CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(C)=O)cc1
55304 Cc1cc(cs1)C(=O)N1CCN(C\C=C\c2ccccc2)CC1
55305 COc1ccc(cc1OC)C(=O)CSc1cc(C)nc2nc(C)nn12
55306 Cc1csc(SCC(=O)Nc2cccc3nsnc23)n1
55307 CCOC(=O)c1cccc(c1)N1C(=O)c2ccccc2S1(=O)=O
55308 O=C(Oc1ccccc1)c1cccc2cccnc12
55309 COc1ccc(cc1)C1C(C#N)C(=N)Oc2cc3OCOc3cc12
55310 CC1(C)C2(C)CCC1(OC2=O)C(=O)N1CCN(Cc2ccccc2)CC1 |TLB:10:9:1:5.6|
55311 Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc2OCOc2c1
55312 Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nn1CC(=O)NCc1ccco1
55313 COc1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1
55314 CCCCOc1ccc(cc1)C(=O)NCc1ccccn1
55315 CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1
55316 CC(C)OC(=O)c1[nH]c2CCCC(=O)c2c1C
55317 CCOc1cccc(CNc2nccs2)c1OCC=C
55318 Fc1ccc(CSc2nncn2NCc2ccc3OCOc3c2)cc1
55319 Clc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccco2)cc1
55320 CCOC(=O)C1C(CC(C)SCC)CC(=O)CC1=O
55321 O=C(CN1CCOCC1)NCc1ccccc1
55322 CCOc1ccc(OCC)c2sc(C)nc12
55323 Fc1c(F)c(F)c(C(=O)Nc2ccc3OCCOc3c2)c(F)c1F
55324 [H]C12CC(C)(CN1C(=O)c1ccc(OC)cc1)CC(C)(C)C2 |TLB:7:6:2:18.17.21|
55325 O=C(CSc1nnc(o1)C1COc2ccccc2O1)Nc1nccs1
55326 Cc1nc2ccccc2c2oc(cc12)C(=O)NCc1ccc2OCOc2c1
55327 O=C(Cn1cc2CCCCCc2n1)NCc1ccccn1
55328 CN(C1CCCCC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCCN3CCCC3)c(=O)c2c1
55329 COc1ccc(cc1)N1C(N2CCCC2C1=O)c1cc(OC)c(OC)c(OC)c1
55330 Cn1cccc1Cc1nnc(SCC(N)=O)n1CCc1ccccc1
55331 CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1
55332 COc1ccc(cc1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SCC(=O)Nc1ccccc1
55333 CCOc1ccc(cc1)N(CC(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1c(C)noc1C
55334 OC(=O)c1ccc(Cl)c2NC(C3CC=CC3c12)c1ccccn1 |c:13|
55335 CCCC(=O)Nc1cc(=O)n(C)c(=O)n1C
55336 c1ccc2[nH]c(nc2c1)-c1ccnc2ccccc12
55337 COc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1
55338 Cc1c(Cl)cccc1N1CC(CC1=O)C(=O)Nc1nccs1
55339 CN(C)CC(=O)c1ccc(cc1)-c1ccccc1
55340 O=C(N1CCc2ccccc12)c1cccc(n1)C(=O)N1CCc2ccccc12
55341 Cc1ccc(cc1NC(=O)COc1ccc(Cl)cc1C)-c1nc2cccnc2o1
55342 O=C(Nc1ccc(cc1)N1CCOCC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
55343 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1cc(OC)ccc1OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
55344 CCNC(Sc1cc(O)n(c1O)-c1ccccc1F)=Nc1ccc2OCOc2c1 |w:19.21,(11.45,-3.07,;11.45,-1.53,;12.78,-.76,;12.78,.78,;11.45,1.55,;10.11,.78,;9.95,-.75,;8.44,-1.07,;7.82,-2.48,;7.67,.26,;8.71,1.4,;8.39,2.91,;6.14,.42,;5.24,-.83,;3.71,-.66,;3.08,.74,;3.99,1.99,;5.52,1.83,;6.42,3.07,;14.11,1.55,;15.45,.78,;15.45,-.76,;16.78,-1.53,;18.11,-.76,;19.57,-1.23,;20.47,.01,;19.57,1.25,;18.11,.78,;16.78,1.55,)|
55345 OC(=O)COc1ccc(cc1)S(=O)(=O)c1ccc(OCC(O)=O)cc1
55346 CCC1CC(C)(OC1=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O
55347 Cc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
55348 CCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1
55349 COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1 |c:4|
55350 CCOC(=O)c1c(O)csc1Nc1ccc(Cl)cc1
55351 CCn1c(n[nH]c1=S)-c1ccccc1O
55352 CC(C)c1ccc(OC(=O)NCCO)cc1
55353 Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1
55354 CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1
55355 [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)C=C[C@H](O)CCC[C@@H](C)CC=C[C@@]1([H])[C@H](O)C(=C)[C@H]2C
55356 CCn1nc(C)c(NC(=O)\C=C\c2ccc(OC)c(COc3ccc(Cl)cc3Br)c2)c1C
55357 CCCCSc1cnn(-c2ccccc2)c(=O)c1SCCCC
55358 CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
55359 CCOC(=O)NC(CC(O)=O)c1ccc(OC)c(OC)c1
55360 Oc1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1[N+]([O-])=O
55361 Clc1ccccc1-n1c(CSc2nnnn2-c2ccccc2)nc2ccccc2c1=O |(5.52,-1.78,;5.52,-3.32,;4.18,-4.09,;4.18,-5.63,;5.52,-6.4,;6.85,-5.63,;6.85,-4.09,;8.18,-3.32,;8.18,-1.78,;6.85,-1.01,;6.85,.53,;5.52,1.3,;4.11,.67,;3.08,1.82,;3.85,3.15,;5.36,2.83,;6.5,3.86,;7.97,3.39,;9.11,4.42,;8.79,5.92,;7.32,6.4,;6.18,5.37,;9.52,-1.01,;10.85,-1.78,;12.23,-.96,;13.62,-1.75,;13.62,-3.35,;12.23,-4.14,;10.85,-3.32,;9.52,-4.09,;9.52,-5.63,)|
55362 OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
55363 Cc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1
55364 CC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
55365 CC1CC(C)CN(CC(=O)Nc2ccc3OCCOc3c2)C1
55366 O=C(Nc1ccc2nc([nH]c2c1)-c1ccccn1)C1CCCCC1
55367 Cc1ccccc1OCCn1cnc2c(N)ncnc12
55368 O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1
55369 NC(=O)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
55370 Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)cc1
55371 O=S(=O)(N1CCCCC1c1cccnc1)c1ccccc1
55372 CC(C)(C)c1ccc(cc1)C(=O)N1CCNCC1
55373 CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccccc1
55374 COc1ccc(OCc2nc(N)nc(Nc3ccccc3OC)n2)cc1
55375 CN(C)c1ccc(\C=C2\C(=O)N(N=C2c2ccccc2)c2nc(cs2)-c2ccc(C)cc2)cc1 |c:12|
55376 O=C(CSc1nc(c[nH]1)-c1ccccc1)Nc1ccccc1
55377 O=C(Nc1ccc2OCCOc2c1)c1cnccn1
55378 COc1ccc(cc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC
55379 CCOC(=O)c1cnc2ccc(C)cc2c1NCCO
55380 Cc1ccc(OCC(=O)NC2=NCCS2)cc1 |t:10|
55381 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1
55382 [Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(CCO)nn1
55383 Cn1nc(c(CSc2ccccc2)c1Cl)-c1ccccc1
55384 CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3ccccc3Cl)=C1NC2=O |c:27|
55385 CCOC(=O)Cn1c2ccccc2ncc1=O
55386 CN(NC(=O)c1c(F)cccc1F)c1nc(cc(C)c1S(C)(=O)=O)-c1ccccc1
55387 COc1ccc(cc1)S(=O)(=O)ON=C1CCCc2ccccc12 |w:12.12|
55388 Cn1nc(c(CSc2ccccc2Cl)c1Cl)-c1ccccc1
55389 Clc1ncccc1C(=O)Nc1ccc(cc1)N1CCCCC1
55390 CCOC(=O)Cn1c2ccccc2nc(-c2ccccc2NC)c1=O
55391 [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6])cc1)-c1ccc(-[#8]-[#6])cc1)-c1cn(-[#6]-[#6](-[#8])-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-2)c2ccccc12
55392 Cc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2CC(C)(C)OCc12
55393 O=C(COc1ccc(cc1)S(=O)(=O)N1CCCCC1)NCc1cccnc1
55394 CN1CCN(CC1)c1nc(C)nc2n(C)c(=S)sc12
55395 Cc1ccccc1Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3OCOc3c2)c1=O
55396 COc1ccc(\C=C\C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC)cc1
55397 Cc1ccc(cc1Br)C(=O)N1CCCC1
55398 CCc1ccccc1NC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:14|
55399 CCCc1cc(=O)oc2cc(C)cc(O)c12
55400 O=C(C1CN(C2CCCCCCC2)C(=O)C1)N1CCC2(CC1)OCCO2
55401 CC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(n1)N(C)C
55402 CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl
55403 NCCNc1nc(-c2ccccc2)c2CCCCc2c1C#N
55404 COc1ccc(cc1)N1C(C(CCC1=O)C(=O)NCc1cccnc1)c1ccc(OC)c(OC)c1
55405 COc1ccc(Br)cc1CNC(=O)Nc1cccs1
55406 COc1ccccc1-n1c(C)nc2cc(ccc12)C(O)=O |(15.22,.92,;13.71,.6,;12.68,1.75,;13.16,3.21,;12.13,4.36,;10.63,4.04,;10.15,2.57,;11.18,1.43,;10.7,-.04,;11.6,-1.28,;13.14,-1.28,;10.7,-2.51,;9.24,-2.05,;7.91,-2.82,;6.57,-2.05,;6.57,-.51,;7.91,.26,;9.24,-.51,;5.24,-2.82,;3.91,-2.05,;5.24,-4.36,)|
55407 CCC(C)N1CC(CC1=O)C(O)=O
55408 OCCCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
55409 O=C(COc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1
55410 OC(=O)C1CCCCC1C(=O)NCCCn1ccnc1
55411 Cc1ccc(CNC(=O)CCc2nc(no2)-c2cccs2)cc1
55412 Oc1ccc(cc1)N1C(=O)\C(=C\c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:23|
55413 N=C1OC2=C(CN(Cc3ccccc3)CC2=Cc2cccnc2)C(C1C#N)c1cccnc1 |w:16.18,t:3|
55414 CC(=NNC(=O)c1[nH]c2c(cc(C)cc2c1-c1ccccc1)[N+]([O-])=O)c1cccnc1 |w:2.2|
55415 O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1
55416 CC1(C)CC(=O)C2C(c3ccc4OCOc4c3)c3cc4OCOc4cc3N=C2C1 |c:30|
55417 CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc3ccccc3c(=O)n2c1
55418 CCOC(=O)c1c2CCCn2c2ccc(OC(C)=O)cc12
55419 Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCc3ccccc3)c(C)c12
55420 Cc1nc2nc(C)c(CCC(=O)N3CCN(CC3)c3ccccc3)c(C)n2n1
55421 Cc1cc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCc2ccccc2)[nH]n1
55422 CCCCNC(=O)Cn1c2CCCc2c(cc1=O)-c1ccccc1Cl
55423 [H]C12CC3(C)CC(C)(C1)CC(CN1CCOCC1)(C2)C3 |TLB:8:1:19:6.9.5,THB:2:3:9:1.18.8,2:1:9:3.19.5,4:3:9:1.18.8,7:6:19:1.18.2|
55424 COc1ccc(C)c2s\c(=N/C(=O)c3ccccc3)n(C)c12
55425 Cc1onc(c1C(=O)Nc1ccon1)-c1ccccc1
55426 CCOC(=O)c1cnc(SC)nc1N
55427 COc1ccc(cc1OC)-c1ccc(C#N)c(SCC(=O)Nc2sc3CCCc3c2C#N)n1
55428 Cc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)c(F)c1
55429 Cn1c(OCc2ccc3OCOc3c2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12
55430 Oc1oc(nc1C=Nc1ccccc1)-c1ccccc1 |w:7.8|
55431 Cc1ccc(cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)-c1nn(C)c(=O)c2ccccc12
55432 C=CCNC(=S)N1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccco2)CC1 |(3.08,-11.13,;3.08,-9.59,;4.41,-8.82,;4.41,-7.28,;5.75,-6.51,;7.08,-7.28,;5.75,-4.97,;7.08,-4.2,;7.08,-2.66,;5.75,-1.89,;5.75,-.35,;7.08,.42,;7.08,1.96,;8.41,2.73,;8.41,4.27,;7.08,5.04,;5.75,4.27,;7.08,6.58,;8.41,7.35,;9.75,6.58,;9.75,5.04,;11.08,4.27,;9.18,8.69,;8.56,10.1,;9.7,11.13,;11.04,10.36,;10.72,8.85,;4.41,-2.66,;4.41,-4.2,)|
55433 CCN(CC)CC(=O)c1c[nH]c2ccc(OC)cc12
55434 COC(=O)c1cc(Br)c(=O)n(c1)-c1ccc(F)cc1
55435 CN1c2ccc(Br)cc2C(=NC(OC(C)=O)C1=O)c1ccccc1 |c:10|
55436 C(C1=NCCN1)c1ccccc1 |t:1|
55437 Cc1ccc(cc1)-n1c(O)c(C=NC2CCS(=O)(=O)C2)c2ccccc2c1=O |w:12.13|
55438 Cc1[nH]c2c(ccc3ccccc23)c1C1C(CCN)C1(C)C
55439 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](/C#N)-[#6](=O)-[#8]-[#6]-[#6])-[#6]=[#6]-1 |c:7,20|
55440 CC(C)c1ccc(\C=C2/CC\C(=C/C=NN(C)C)C2=O)cc1
55441 Cc1noc(C)c1C(=O)N1CCCc2ccccc12
55442 C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(CC1)C(=O)c1cccs1
55443 Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1
55444 COc1ccc(NC(=O)c2ccc(cc2)-n2nc(C)cc2C)cc1OC
55445 CC(C)Cn1c(SCC(=O)Nc2ccc3OCOc3c2)nc2ccccc12
55446 Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1
55447 Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1
55448 COC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
55449 OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
55450 CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1
55451 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N1CCc2ccccc2C1
55452 CCOC(=O)Nc1ccc(C)cc1C
55453 Cc1ccc(NC(=S)N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 |w:8.7|
55454 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(O)=O
55455 CC1(C)N(C(=O)COC(=O)C2CCCCC2)c2ccccc2NC1=O
55456 Nc1ccccc1-c1nnc(o1)-c1ccc(cc1)-c1ccccc1
55457 CC(C)c1nc(C)cc(OCC(=O)Nc2ccc(F)c(F)c2)n1
55458 COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)NC(C)(C)C
55459 Cc1ccccc1NC(=O)c1sc(Cl)nc1-c1ccccc1
55460 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NNC(=O)c1ccoc1C |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
55461 Brc1ccc2[nH]cc(\C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)c2c1
55462 Cc1nn(C)c(C(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)c1[N+]([O-])=O
55463 OC([C@@H]1CCCN1)(c1ccc(F)cc1)c1ccc(F)cc1
55464 CN(C)CCOc1ccc(NC2c3ccccc3CSc3ccc(C)cc23)cc1
55465 CN(C)CCCOc1ccc(NC2c3ccccc3CSc3ccccc23)cc1
55466 CC(C)c1nc2cccc3cccc([nH]1)c23
55467 CC(=C)C1CC=C(C)C(C1)=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 |w:10.11,t:5|
55468 O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccncc2)CC1
55469 Cc1ccc(OCc2ccc(o2)C(=O)Nc2nc3ccccc3n2Cc2ccccc2)c(c1)[N+]([O-])=O
55470 Cc1cc(nn1Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1)C(F)(F)F
55471 CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 |w:2.2|
55472 CCOC(=O)c1nc2cc3C(C)=C(C)C(C)n3c(C)c2c1C |t:11|
55473 C1Sc2nnc(-c3cc([nH]n3)-c3ccccc3)n2N=C1c1ccc2ccccc2c1 |c:21|
55474 CCOc1cc2[nH]c(=S)n(CCC(=O)NCc3ccc(OC)cc3)c(=O)c2cc1OCC
55475 COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
55476 Cc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1
55477 CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
55478 CC1CCN(CC(=O)Nc2cc(ccc2C)[N+]([O-])=O)CC1
55479 [O-][N+](=O)c1ccc(N=NCc2cccn2-c2ccccc2)nc1 |w:8.8|
55480 CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(cc4)C(C)=O)c3=O)c2c1-c1ccc(Cl)cc1
55481 COc1cc(\C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccncc1
55482 CC(C(=O)Oc1ccc(C)cc1)c1cccc(c1)C(=O)c1ccccc1
55483 CCC(=O)N1CC2(CC1C(=O)NCC(N)=O)C[C+]([N-]O2)c1cccc(c1)[N+]([O-])=O
55484 COc1cccc(SCc2noc(C(=O)NCC=C)c2C(O)=O)c1
55485 COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccccc1F
55486 Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F
55487 COc1ccc(CCNC(=O)CC(C)=NNC(=O)c2ccc(N)cc2)cc1OC |w:14.14|
55488 Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1
55489 [H]C12CCC([H])(CC(C1)NC(=S)Nc1ccc(C)cc1C)N2Cc1ccco1
55490 [H]C12CCCC([H])(CC(C1)NC(=S)NC)N2CC(C)C
55491 Cc1ccc(cc1[N+]([O-])=O)-c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)o1
55492 COCC(=O)N(C)c1nnc(s1)-c1ccc(cc1)[N+]([O-])=O
55493 O=C(Nc1cccc(c1)-c1cn2ccccc2n1)C1CC1
55494 Cc1cccc(c1)C(=O)ON=C1CCSc2ccc(C)cc12
55495 Cc1[nH]n(-c2ccccc2)c(=O)c1CCOC(=O)c1ccc(C)cc1
55496 CCOC(=O)C(=C/N(C)C)\C#N
55497 COC(=O)C(CC(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(C)C
55498 Clc1ccc(CN=Nc2nc(Cl)nc3ccccc23)cc1 |w:7.7|
55499 CC(Oc1ccc(c(F)c1)-c1ccccc1)c1ccn(n1)S(=O)(=O)c1cccc2ccccc12
55500 Cc1ccc(cc1)C(CSc1nccn1-c1ncc(cc1Cl)C(F)(F)F)N=O
55501 COc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)Cn1nnc(n1)-c1cccs1
55502 COc1ccc(C=NNC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1
55503 Cc1nccc(O)c1OCc1ccccc1
55504 Cc1cccc(C)c1NC(=O)N1C(CSC1C(O)=O)C(O)=O
55505 FC(F)(F)c1cnc(c(Cl)c1)C(C#N)(N1CCOCC1)c1ccccc1
55506 COc1ccc(\C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1C(O)=O
55507 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)N\N=C\c1cccc2ccc(OCC=C)cc12
55508 CCOc1ccc(N=CCC(=O)c2ccc(C)cc2)c(c1)[N+]([O-])=O |w:7.6|
55509 Clc1ccccc1-c1ccc(\C=C2/N=C(OC2=O)c2cccs2)o1 |c:14|
55510 O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccc2OCOc2c1
55511 CC(C)CNc1cc(ccc1[N+]([O-])=O)N1CCCC1
55512 CS(=O)(=O)N1CCN(CC1)c1ccc(c(NCCN2CCOCC2)c1)[N+]([O-])=O
55513 O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1
55514 CC(=O)Nc1cc(ccc1C)C(=O)OC(C(=O)c1ccccc1)c1ccccc1
55515 CCC(C)N1C(=S)NC(=O)\C(=C\c2cc3CCCN4CCCc(c2)c34)C1=O
55516 Oc1cc(OCC(=O)c2ccc(F)cc2)cc2oc(cc(=O)c12)-c1ccccc1
55517 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|
55518 CCOc1cc(CNCCc2ccc(cc2)S(N)(=O)=O)cc(Cl)c1OCc1ccccc1
55519 COc1ccc(cc1NC(=O)c1ccc(o1)[N+]([O-])=O)-c1cc2ccccc2oc1=O
55520 Cc1ccc(cc1)C(N(Cc1cccs1)C(=O)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C
55521 COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSCc2cc(C)cc(C)c2)cc1
55522 CCOc1ccc(N=CCC(=O)c2ccccc2)c(c1)[N+]([O-])=O |w:7.6|
55523 COc1ccc2oc(nc2c1)-c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
55524 [O-][N+](=O)c1ccc(cc1)-c1cncn1CC(=O)Nc1cccc2ccccc12
55525 Oc1ccccc1N1CCN(CC1)C(=S)NCCc1ccccc1
55526 COc1ccc(cc1OC)-c1c(oc2cc(OCC(=O)Nc3ccccc3C(F)(F)F)ccc2c1=O)C(F)(F)F
55527 Cc1ccc(NCCCC(=O)NN=Cc2cccc(CC=C)c2O)cc1 |w:12.11|
55528 Cc1cc2c(C)nc(N=NCc3ccc(cc3)[N+]([O-])=O)nc2o1 |w:8.7|
55529 Clc1ccc(NC(=S)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1
55530 Cc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1
55531 CCOC(=O)C1C(NC(=O)N=C1COc1ccc(C)cc1)c1cc(C)ccc1C |c:10|
55532 Cc1nc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)ccc1Br
55533 Oc1c(cc(Cl)c2cccnc12)C(NC(=O)c1cccnc1)c1ccc(Cl)cc1
55534 O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2ccccc12
55535 CCOc1ccc(NC(=O)Cn2cncc2-c2ccc(cc2)[N+]([O-])=O)cc1
55536 CCCC[N-]c1c2NC3(CCCCC3)[N+](=O)c2ccc1[N+]([O-])=O
55537 CCOC(=O)c1ccc(cc1)-c1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)o1
55538 CCCN1C(=S)SC(C1=O)=c1sc(=C2C=Cc3ccccc3N2CC)c(=O)n1-c1ccccc1 |c:15|
55539 COc1ccc(cc1OC)-c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1
55540 Cc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12
55541 CCOC(=O)CCc1c(C)c2ccc(OCc3cc(ccc3OC)[N+]([O-])=O)c(C)c2oc1=O
55542 CN(C)c1ccc(\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1
55543 CSc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(F)c2)cc1
55544 Nc1ncc(cn1)-c1ccc(cc1)[N+]([O-])=O
55545 COc1ccc(cc1)-c1cc(=O)oc2cc(OCC(=O)c3cccc(c3)[N+]([O-])=O)ccc12
55546 COc1ccc2nc(N=Cc3c(C)[nH]n(-c4ccc(C)cc4)c3=O)sc2c1 |w:8.7|
55547 [O-][N+](=O)c1ccccc1-c1ccc([CH+]c2c([n-]oc2=O)-c2ccccc2)o1
55548 COc1cccc(c1)C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1
55549 Cc1cccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3ccccc3O)c3ccccc23)c1
55550 Cc1ccc2nc(Cl)c(C=NNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1
55551 CCCCc1c(C)nc2c(OC)cccc2c1SCCC(O)=O
55552 COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC
55553 COC(=O)c1nc2[N-]C(C)=C(C(c3ccc(cc3)[N+]([O-])=O)n2[nH+]1)C(=O)Nc1ccc(Cl)cc1 |c:9|
55554 [#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6])cc3\[#6](=[#7]\[#7]-[#6](=O)-c3ccccn3)-c2c1
55555 COc1ccc(cc1)-c1c[nH][nH+]c1-[c-]1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1=O
55556 Clc1ccc(cc1)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12
55557 CCOc1cc(\C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)ccc1O |c:25|
55558 CC(=NNC(=O)c1ccc2OCOc2c1)c1ccc(NC(=O)C(F)(F)F)cc1 |w:2.2|
55559 COc1ccc(cc1CSc1nc2ccccc2s1)C1NCCc2c1[nH]c1ccccc21
55560 COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12
55561 COc1cc(SC)ccc1C(=O)NCc1ccccc1
55562 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F
55563 Fc1ccc(cc1)C(N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NC1CCCCC1
55564 Cc1cccc(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O
55565 OC(Cn1c2ccccc2c2ccccc12)C[n+]1cccc2cccc(O)c12
55566 O=C(NCCc1c[nH]c2ccccc12)C(=C/c1ccc(o1)N1CCCCC1)\C#N
55567 COc1ccc2nc(C)cc(SCC(=O)NN=Cc3c(OC)ccc4ccccc34)c2c1
55568 [#6]=[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]/[#6]=[#6](\C#N)C#N)-c2ccccc-12 |c:4|
55569 Cc1ccccc1CCN(C(C(=O)NCC1CCCO1)c1nc2ccccc2n1C)C(=O)Cn1nnc2ccccc12
55570 COc1ccccc1CN(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)CCl
55571 Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1
55572 Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NN3CCOCC3)ncnc12
55573 COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1
55574 COc1ccc2cc3cc(sc3nc2c1)C(=O)NCCCN1CCc2ccccc2C1
55575 COc1ccc(cc1)-n1nc(C(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O
55576 [H]C12CCN(CC1)c1sc(N\C=C3/C=CC(=CC3=O)N(CC)CC)c(C#N)c21 |c:14,16,TLB:8:7:2.3:6.5,THB:24:27:2.3:6.5|
55577 CCN(CC)c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1
55578 Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1C |w:9.9,t:6|
55579 COc1ccc(C=NNC(=O)CN(C2=NS(=O)(=O)c3ccccc23)c2ccccc2)cc1 |t:13|
55580 Cn1c2ccccc2c(=O)c2c1nc(C1CCCCC1)n(C1CCCCCC1)c2=O
55581 CCC(C)N1C(=S)NC(=O)\C(=C\c2ccc(cc2)N2CCCCCC2)C1=O
55582 COc1ccc(cc1)-n1c(O)c[nH]c1=S
55583 CN(C)c1ccc(\C=C\[N+]([O-])=O)cc1
55584 CCc1cc(=O)oc2cc3occ(-c4ccc(OC)c(F)c4)c3cc12
55585 Cc1ccc(cc1)-c1nnc(Oc2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12
55586 COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
55587 CCc1ccc2nc(sc2c1)N1C(c2c(oc3ccccc3c2=O)C1=O)c1ccc(OC)c(OC)c1
55588 COC(=O)c1cc(cc(c1)-n1c(O)cc(NNC(=O)c2ccc(C)cc2)c1O)C(=O)OC
55589 COc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1
55590 Clc1ccccc1-c1nc2nc3ccccc3nc2n1-c1ccc2OCOc2c1
55591 Cc1cccc(Oc2coc3cc(OC(=O)c4cncc(Br)c4)ccc3c2=O)c1
55592 CCCN1CCCc2cc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)ccc12
55593 CNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1
55594 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]/[#6]=[#6](\C#N)C#N)-c2ccccc-12 |c:7|
55595 COc1ccccc1-n1cnc2n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc3c2c1=O
55596 CC1CCCN(C1)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:8|
55597 CCn1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12
55598 Cc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1
55599 C=CCn1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12
55600 Clc1ccc(OCCCC(=O)NN=Cc2ccccc2)c(Cl)c1
55601 CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
55602 COc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12
55603 Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NNC(=O)Nc2cccc(Cl)c2)n1
55604 Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S\C(=C/c2ccccc2)C1=O
55605 COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3scc(-c4ccc(OC)c(OC)c4)c3c(=O)n2CC=C)c1C
55606 COc1ccc2nc(N=Nc3c(O)ccc4ccccc34)sc2c1 |w:8.7|
55607 COc1ccc(cc1COC(=O)CNC(=O)c1ccc(Cl)cc1)C(C)=O
55608 CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(o2)-c2cccs2)ccc1C
55609 COc1ccc(OCC(=O)NN=Cc2ccsc2)cc1
55610 CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OCC(O)CNC(CO)(CO)CO)cc12
55611 Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccncc1
55612 Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C)cc1 |w:12.13,18.20|
55613 Cc1ccc(CNC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
55614 CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1 |t:22|
55615 CC(C)n1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12
55616 CCN(CC)c1ccc(\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1
55617 Clc1ccc2=NC(=O)C(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)=c2c1 |c:30,t:4|
55618 CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
55619 [O-][N+](=O)c1cc(ccc1N=NCc1cn(nc1-c1ccccc1)-c1ccccc1)C#N |w:9.9|
55620 COc1ccc2c(cc(=O)oc2c1)-c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
55621 CCn1c(C)cc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C
55622 Cc1ccc(cc1NC(=O)C1c2ccccc2Oc2ccccc12)-c1nc2cccnc2s1
55623 Cc1cc(C)cc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2ccccc2)c1
55624 COc1ccc(C=CC(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1OC |w:6.5|
55625 Brc1ccc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)nc1
55626 COc1ccc(-c2ccc(o2)-c2nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c3n2C)c(c1)[N+]([O-])=O
55627 Brc1cccc(-[#8]-[#6]-[#6](=O)-[#7]\[#7]=[#6]-2/c3ccccc3-c3ccccc-23)c1
55628 [#6]-[#6]-[#7](-[#6]-c1ccccc1)-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:15.16|
55629 [#6]-[#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:7.7|
55630 [Br-].Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45
55631 CCN(CC)c1ccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 |c:28|
55632 COc1cccc(c1)-n1nc2c(c1C)c(C)nn(Cc1ccccc1Cl)c2=O
55633 Cc1cccc2cc(-c3ccccc3)c(c[n+]12)-c1ccccc1
55634 [#6]-[#6]-[#7](-[#6]-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:5,7|
55635 [O-][N+](=O)c1ccc(F)c(NC(=O)c2cccs2)c1
55636 CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)C1CCCCC1
55637 Cn1nc(N)c2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12
55638 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1
55639 CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccccc2)cc1
55640 CC(=O)c1ccc(cc1)N1Cc2ccccc2C1=NC(=O)c1cccs1 |w:18.21|
55641 Cc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)c(C)c1 |w:7.7|
55642 Cc1ccc(cc1C)-c1nnc(-n2ncc(C#N)c2N)c2ccccc12
55643 C(C1CO1)[n+]1c[nH]c(c1-c1ccccc1)-c1ccccc1
55644 Cc1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O |(5.66,-2.34,;5.66,-3.88,;4.33,-4.65,;4.33,-6.19,;5.66,-6.96,;6.99,-6.19,;6.99,-4.65,;8.33,-3.88,;8.33,-2.34,;6.99,-1.57,;6.99,-.03,;5.66,.74,;4.33,-.03,;5.66,2.28,;4.33,3.05,;4.33,4.59,;3.08,5.5,;3.56,6.96,;5.1,6.96,;5.57,5.5,;9.66,-1.57,;10.99,-2.34,;12.37,-1.52,;13.77,-2.31,;13.77,-3.91,;12.37,-4.7,;10.99,-3.88,;9.66,-4.65,;9.66,-6.19,)|
55645 CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4C(C)COc5c(N6CCN(C)CC6)c(F)cc(c45)c3=O)cc2)cc1
55646 FC(F)(F)CNC(=O)CSc1nc(C2CCCCC2)n(n1)-c1ccccc1
55647 COc1cc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1[N+]([O-])=O
55648 Cc1nc2ccccc2nc(=O)c1NNc1ccccc1
55649 CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O
55650 Cc1cc(C)c(cc1C)-c1cc(NC(=O)COC(=O)c2ccc(CO)cc2)n(n1)-c1ccccc1
55651 COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3cccc(F)c3)c2)cc1
55652 CSc1cccc(NC(=O)CCC(O)=O)c1
55653 O=C(N1CCN(CC1)C1CCCCC1)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1
55654 COc1ccc(cc1OC)C1C(C(=O)c2ccccc2)C(C)=Nc2nc3ccccc3n12 |c:23|
55655 Cc1ccc(NC(=O)c2cc(ccc2Cl)-n2cnnc2)c(C)c1
55656 Cc1cc(cs1)-c1n[nH]c(=S)n1Cc1ccccc1
55657 OC(=O)C1CSC(N1C(=O)c1ccc(Cl)cc1)c1ccccc1Cl
55658 COc1cc(\C=C(\NC(=O)c2ccccc2)C(=O)N2CCN(C)CC2)c(cc1OC)[N+]([O-])=O
55659 Cc1ccc(cc1)-c1nnc(N(NC(=S)C(=O)Nc2ccccc2)c2ccccc2)n1-c1ccccc1
55660 COc1ccc(OC)c(C=NNC(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)c1
55661 CC(C)N(C)CCOC(=O)\C=C\c1ccccc1
55662 CCOc1ccccc1NC(=O)c1c(Br)cnn1C
55663 O=C(\C=C\c1ccc2OCOc2c1)c1ccc[nH]1
55664 COc1ccc(cc1)N(C(=O)C(C)C)S(=O)(=O)c1cccc2cccnc12
55665 CCOc1ccc(cc1)-n1nc2c(c1C)c(C)n[nH]c2=O
55666 COCCCNCCCCOc1ccc(Br)cc1C
55667 CN(C)c1ccc(\C=C\C=C2\SC(=O)N(CC#C)C2=O)cc1
55668 CN(C)CCNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(o1)-c1ccc(Cl)cc1Cl
55669 Clc1ccccc1NC(=O)CNC(=O)C1CCCCC1
55670 COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1
55671 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C)n1
55672 CCc1cc(CNC(=O)CC2N(Cc3c(F)cccc3Cl)CCNC2=O)on1
55673 CN(C1CCN(C)CC1)C(=O)NC(C)(C)c1cccc(c1)C(C)=C
55674 CCOC(=O)C1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
55675 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c(O)c1
55676 Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc(cc3)[N+]([O-])=O)ccc2C)c1
55677 CC(C)Cc1cc(CN2CCC(CO)(Cc3cccc(c3)C(F)(F)F)CC2)n[nH]1
55678 CC1Cc2ccccc2N1C(=O)c1ccc(C)o1
55679 CCS(=O)(=O)c1ccc(Sc2nncn2C)c(c1)[N+]([O-])=O
55680 CN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
55681 OCCC1CN(Cc2ccc(cc2)N2CCNC2=O)CCN1C1CCCCC1
55682 OCCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCCO)c3=O
55683 COc1ccc(cc1)N=Cc1c(O)n(-c2ccc(OC)cc2)c(=O)c2ccccc12 |w:8.8|
55684 O=C(NCc1nc2ccccc2[nH]1)C1CCCCC1
55685 Cc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl
55686 COc1ccc(CNC(=O)c2noc(C)c2[N+]([O-])=O)cc1
55687 COc1cc(NC(=O)COc2ccccc2[N+]([O-])=O)ccc1NC(=O)c1cccs1
55688 COc1ccccc1CCNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccncc1
55689 Cc1cc(nn1CC(=O)NCc1nc2ccccc2[nH]1)[N+]([O-])=O
55690 O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1c[nH]c2ccccc12 |w:18.19|
55691 COc1ccc(Cl)cc1C(=O)C1CCCN(Cc2cnc(s2)N2CCOCC2)C1
55692 Cc1c(C(c2ccc(Br)cc2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C
55693 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccc(Br)cc1 |t:1|
55694 Cc1cc(c(C)o1)-c1nnc(CCC(=O)N2CCN(Cc3cccnc3)CC2)o1
55695 [O-][N+](=O)c1ccc(cc1)\[NH+]=C\[c-]1c2ccccc2ccc1=O
55696 CSCCNCc1cn(nc1-c1ccccc1C)-c1ccc(F)cc1F
55697 Clc1ccc(cc1)C(=O)C1CCCN(Cc2ccc3nonc3c2)C1
55698 CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3cccc(C)c3C)ccc2n1
55699 CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1
55700 COc1ccc(-c2ccc(o2)C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)c(c1)[N+]([O-])=O
55701 CC(CNS(=O)(=O)c1ccc(Br)cc1)CN(C)C
55702 O=c1[nH]c(C=Cc2cccc3ccccc23)nc2ccccc12 |w:5.5|
55703 CCOc1ccccc1OCCOCCN1CCN(Cc2ccccc2)CC1
55704 OC(=O)c1cccc(NC(=O)C(\NC(=O)c2cccc3ccccc23)=C/c2ccccc2)c1
55705 Cc1cc(Br)ccc1OCCCCN1CCCCC1
55706 C(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCCCC1)c1ccco1 |w:2.2|
55707 CCN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
55708 CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4C)C3=O)cc2)CC1
55709 COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(CC1CCCO1)c2=O
55710 [O-][N+](=O)c1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
55711 O=c1cnnc(N=NCc2c[nH]c3ccccc23)[nH]1 |w:7.7|
55712 [#6]-[#6]\[#7+](-[#6]-[#6])=[#6]-1/[#7-]S(=O)(=O)c2cc(ccc-12)-[#7+](-[#8-])=O
55713 Fc1ccc(c(F)c1)-n1cnc2cc(ccc12)C(=O)N1CCC2(CC1)OCCO2
55714 CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC
55715 Cc1cc(C)c2c(n1)nc(SCC(=O)c1ccc(F)c(C)c1)[nH]c2=O
55716 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2OC)c(O)c1
55717 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(o2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-[#7]-1
55718 CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(C1)c1ccccc1 |t:1|
55719 COc1cc2CCN(Cc2cc1OC)C(=S)NC(=O)c1ccccc1
55720 C=CCN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CNC(=O)c1cccs1
55721 COc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl
55722 Cc1cc(C)c2nc3nc(C)c(C)cc3c(N)c2c1
55723 [#6]-[#8]-[#6]-1=[#6]\[#6](=[#6]/[#7]-[#7]-[#6](=O)-c2ccc(-[#6]-[#7]3-c4cccc5cccc(c45)S3(=O)=O)cc2)-[#6]=[#6](-[#8]-[#6])-[#6]-1=O |t:2,35|
55724 Cn1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)[N+]([O-])=O)c2ccccc12
55725 Brc1ccc2=NC(=O)C(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)=c2c1 |c:30,t:4|
55726 Cc1cc(N2CCCC2)c(F)cc1\C=C/[N+]([O-])=O
55727 Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
55728 Cc1ccc2oc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1
55729 CSc1ccccc1NC(=O)c1cc(nc2ccc(Br)cc12)-c1cccnc1
55730 Clc1ccc2nc(cc(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c2c1)-c1ccncc1
55731 CCOc1ccccc1NC(=O)c1cc(nc2c(Cl)cccc12)-c1ccncc1
55732 CC1CCCN(CCCOc2ccccc2-c2ccccc2)C1
55733 CC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12
55734 CC1=C(C#N)C(=O)NC(=O)C1=NNc1cccc(C)c1 |w:11.12,c:1|
55735 OC(COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(Cc2ccccc2)c1=N
55736 O=C(N1CCN(Cc2nc(Cc3ccccc3)no2)CC1)c1ccco1
55737 O=C(CCCc1ccccc1)N1CCCC(CCC(=O)N2CCN(CC2)c2ccccn2)C1
55738 COc1cc(cc(OC)c1OC)-c1n[nH]cc1CN(C)Cc1cc(C)n[nH]1
55739 Clc1ccccc1Cc1noc(CN2CCN(CC2)c2cnccn2)n1
55740 CC(C)CCN1CCN(CC1CCO)C1CSCCSC1
55741 Cc1cccc(SC2CCN(Cc3nc(CC4CC4)no3)CC2)c1
55742 C(C1CCN(CC1)c1nc2nonc2nc1N1CCSCC1)N1CCOCC1
55743 CN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2Cl)no1
55744 Cc1ccccc1OCc1nnc(SCC(=O)NCc2ccco2)n1C
55745 CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O
55746 Clc1ccc(Cl)c(c1)S(=O)(=O)n1ccnc1
55747 Cc1cccc(c1)-n1c(O)cnc1Nc1nc(C)cc(C)n1
55748 CCOC(=O)c1ccc(cc1)-n1c(O)cc(Nc2ccc(O)cc2)c1O
55749 Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCc3ccco3)cc12
55750 Sc1nnc(NCCc2ccccc2)s1
55751 COc1ccc2cc(OC)c(cc2c1)C(=O)N1CCOCC1
55752 CC(=NNC(=O)COc1ccc(C)cc1Br)c1cc(cs1)[N+]([O-])=O |w:2.2|
55753 OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1
55754 Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(O)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O
55755 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
55756 CCCCCCCCCCCCOCn1c[n+](C)c2ccccc12
55757 CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1O |w:7.7|
55758 Cc1onc(c1C(=O)N1CCN(CC1)c1ncccn1)-c1c(Cl)cccc1Cl |(11.3,2.38,;12.21,1.14,;13.75,1.14,;14.22,-.33,;12.98,-1.23,;11.73,-.33,;10.27,-.8,;9.24,-1.95,;9.12,.23,;7.66,-.25,;6.51,.78,;6.83,2.29,;8.3,2.76,;9.44,1.73,;5.69,3.32,;4.22,2.84,;3.08,3.87,;3.4,5.38,;4.86,5.85,;6.01,4.82,;12.98,-2.77,;11.64,-3.54,;10.1,-3.54,;11.64,-5.08,;12.98,-5.85,;14.31,-5.08,;14.31,-3.54,;15.64,-2.77,)|
55759 c1ccc2[nH]c(nc2c1)-c1ccncc1
55760 COCCCNC(=S)N1CCCC(C1)c1nc2cc(C)c(C)cc2[nH]1
55761 Cc1ccc2[nH]c([nH+]c2c1)C(=C(/Sc1ccccc1)[C-](Cl)Cl)\[N+]([O-])=O
55762 Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc(c1)[N+]([O-])=O
55763 CCOC(=O)c1ccc2[nH]c3C(O)CCCc3c2c1
55764 Cc1ccc(cc1)C(N1CCCC1)c1nnnn1CS(=O)(=O)c1ccc(C)cc1
55765 Cc1c(CCOC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)sc[n+]1CC(=O)c1ccccc1 |TLB:6:8:15:10.18.12,11:10:15:8.19.20,THB:17:16:12:8.20.9,6:8:16.15.18:12,19:16:12:8.20.9,19:8:16.15.18:12,9:8:15:10.18.12|
55766 Cn1ccnc1C(O)(c1nccn1C)c1ccccc1
55767 [O-][N+](=O)\C=C/c1ccc(N2CCCC2)c(F)c1
55768 CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
55769 CCCCN1C(=S)S\C(=C/C=C2\SCCN2C)C1=O
55770 [O-][N+](=O)c1cnc(NC(=O)CCc2ccccc2)s1
55771 O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NC1CCCC1
55772 Clc1ccccc1NC(=S)N(CCC#N)Cc1cccnc1
55773 COc1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C
55774 CCCCOC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1
55775 CC(NC(=O)Cn1cccc1C(=O)c1ccccc1)c1ccc2OCCOc2c1
55776 CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1
55777 CCC(C)NC(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1
55778 CCCCN(C)C(=S)Nc1ccsc1C(=O)OC
55779 [O-][N+](=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1
55780 CCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O
55781 [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-[#6](=O)-[#6]-[#7](-c1ccc(F)cc1)S(=O)(=O)c1ccc(-[#6])cc1
55782 CCNC(=S)N1CCn2cccc2C1c1ccc(F)cc1
55783 CCOc1ccc(cc1)-n1c(N)c2c(C)nnc2nc1SCC(=O)Nc1ccc(Br)cc1
55784 CCCCCc1ccc(OCCOCCn2c[n+](C)c3ccccc23)c(CCCCC)c1
55785 CSc1nnc(C)c(=O)n1COC(=O)COc1ccc(Cl)cc1Cl
55786 Nc1nc(CCOc2ccc(F)cc2)cs1
55787 Fc1cccc(Cl)c1C(=O)NCc1nnc(SCC(=O)Nc2ccc3OCOc3c2)o1
55788 Fc1ccccc1N1CCN(CC1)C(CNC(=O)C(=O)NCc1ccccc1)c1ccco1
55789 CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc(C)cc(C)c2s1
55790 O=C(Nc1nc(cs1)-c1ccncc1)\C=C\c1ccccc1
55791 CN(C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2c(C)c(C)ccc2s1
55792 CCOC(=O)C(=C\C=C1/C=Cc2ccccc2N1CC)\C#N |c:9|
55793 CC1Cc2ccccc2N1C(=O)C(=O)c1c(C)n(C)c2ccccc12
55794 Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(O)=O
55795 Fc1ccccc1-c1nnc(NC(=O)c2cccnc2)s1
55796 Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ncccc2c1
55797 COc1ccc(cc1OC)-c1nnn(CC(=O)NCc2ccc3OCOc3c2)n1
55798 FC(F)(F)c1ccc2N3CCCC3CNc2c1
55799 CCCCNC(=O)NC1(CCCCC1)C#C
55800 Cc1cc(C)cc(Oc2ccccc2CO)c1
55801 CN(O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
55802 OC(=O)CNc1ncccc1[N+]([O-])=O
55803 CCOc1ccc(NC(c2ccccn2)c2oc(CO)cc(=O)c2O)cc1
55804 COC(=O)CSc1nccc(n1)-c1cccs1
55805 CN(C)C=NC(=S)Nc1c(C)cccc1C |w:4.4|
55806 COc1cccc2cc(C(=O)NNC(=O)c3ccc(Br)cc3)c(=O)oc12
55807 CC(=O)N1CC(=O)N(Cc2ccccc2)\C(=C\c2ccccc2)C1=O
55808 Fc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1
55809 CNC(=S)NNC(=O)CNc1ccc(C)c(Cl)c1
55810 CCOc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1 |c:8,17,t:6|
55811 CCOC(=O)COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O |(3.08,-6.95,;4.41,-6.18,;4.41,-4.64,;5.75,-3.87,;7.08,-4.64,;5.75,-2.33,;7.08,-1.56,;7.08,-.02,;8.41,.75,;8.41,2.29,;7.08,3.06,;7.08,4.6,;5.75,2.29,;5.75,.75,;4.41,-.02,;9.75,3.06,;9.75,4.6,;8.41,5.37,;11.08,5.37,;12.42,4.6,;13.79,5.42,;15.19,4.63,;16.52,5.41,;16.51,6.95,;15.19,3.03,;16.52,2.25,;16.51,.71,;13.79,2.24,;12.42,3.06,;11.08,2.29,;11.08,.75,)|
55812 CC[n+]1c(C)cc2c(sc3ccccc23)c1C
55813 CC(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
55814 Clc1ccc(Cl)c(c1)-c1ccc(C=C2C(=O)NC(=O)NC2=O)[nH]1 |(3.08,4.19,;4.61,4.35,;5.24,5.76,;6.77,5.92,;7.67,4.68,;9.21,4.84,;7.05,3.27,;5.52,3.11,;7.95,2.02,;9.49,2.02,;9.97,.56,;8.72,-.35,;8.72,-1.89,;10.06,-2.66,;10.06,-4.2,;8.72,-4.97,;11.39,-4.97,;12.72,-4.2,;14.06,-4.97,;12.72,-2.66,;11.39,-1.89,;11.39,-.35,;7.48,.56,)|
55815 [H]C12C=CC([H])(C3C4C(C13)C(=O)N(C4=O)c1ccc(O)cc1)C1C2C(=O)N(C1=O)c1ccc(O)cc1 |c:2,TLB:27:22:9.6:2.3,THB:24:23:9.6:2.3|
55816 CC(=NOCC(=O)Nn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 |w:2.2|
55817 O=C(NN=C1CCOC1=O)c1cccnc1 |w:3.2|
55818 CCN1CCN(CCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
55819 COc1c(OCC(OC(C)=O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12
55820 CN1CCc2c(C1)sc(NC(=O)c1cc3cc(ccc3s1)[N+]([O-])=O)c2C(N)=O
55821 COc1cc(\C=C2/SC(=O)N(CCN)C2=O)ccc1OS(=O)(=O)c1cc(C)ccc1C
55822 CN1CCN(CC1)N=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
55823 Cn1cnnc1SCC(=O)Nc1ccc(cc1)N1CCOCC1
55824 O=C(NCc1ccccn1)C(=O)C1C(=O)Nc2ccccc12
55825 CCC(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N
55826 Cc1cc(C(=O)COC(=O)c2ccc(C)cc2)c(C)n1CC1CCCO1
55827 COCCNC(=O)C(=C\c1ccc(OC(=O)c2cccs2)c(OC)c1)\C#N
55828 FC(F)Oc1ccc(\C=C\C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1
55829 N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:11,14|
55830 [#6]-[#8]-c1ccc(-[#16]\[#7]=[#6]-2/[#6](-[#6])=[#6]-[#6](=O)-[#6]=[#6]-2-[#6])cc1 |c:10,14|
55831 Cc1cc(C)n2nc(SCC(=O)NC(=O)NCc3ccco3)nc2n1
55832 COc1cc(C=NNC(=O)c2cc(C)oc2C)ccc1O |w:6.6|
55833 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:4|
55834 Cc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)cc1S(=O)(=O)N1CCOCC1
55835 OC(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1
55836 COc1cc2nc(CN3CCN(CC3)C(c3ccccc3)c3ccccc3)[nH]c(=O)c2cc1OC
55837 Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CO
55838 Cl.NC(Cc1ccc(O)cc1)c1cn(nn1)C(Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1
55839 CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1
55840 OC(=O)c1csc(n1)-c1ccc(Cl)cc1
55841 COc1ccc(cc1)C(=O)NCC(=O)N1CCc2ccccc2C1
55842 COc1ccc2c(CC(=O)Nc3ccc(OC)nc3)coc2c1
55843 CCOc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)OCC(=O)N(CC)C1CCS(=O)(=O)C1
55844 CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(c1)C(C)=O
55845 CC1CCCC(NC(=O)COC(=O)c2ccccc2[N+]([O-])=O)C1C
55846 Cc1ccc(cc1)S(=O)(=O)NCCC(=O)OCC(=O)Nc1ccccc1Cl
55847 CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2cccnc2)cc1
55848 CCOC(=O)c1sc(N)c(C(N)=O)c1C
55849 Cc1cc(=O)oc2cc(OCC(=O)c3ccc4OCC(=O)Nc4c3)ccc12
55850 CCO[C@@H]1OC(=C[C@H](C)[C@H]1CCCO)C(=O)NCc1nc2ccccc2[nH]1 |c:5|
55851 O=C([N-]c1ccc[n+](c1)-c1nc2ccccc2nc1C(C#N)C#N)c1cccs1
55852 COc1ccc(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1OC
55853 Cc1cc(C(=O)N\N=C\c2ccc(o2)[N+]([O-])=O)c(C)o1
55854 O=C([N-]c1ccc[n+](c1)-c1nc2ccccc2nc1C(C#N)C#N)c1ccccc1
55855 COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccccc2)c2ccc(O)cc2)c(C)n1C
55856 Cc1cc(NC(=O)CSc2nnc(C3COc4ccccc4O3)n2N)no1
55857 Fc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)cc1
55858 CCN(CC)CCCN=Cc1c(O)n(-c2ccc(C)cc2)c(=O)c2ccccc12 |w:8.7|
55859 CCSS(=O)(=O)c1cccc2cccnc12
55860 C\C=C(\C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:14|
55861 CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
55862 [H]C12CC([H])(N(O1)C(C)(C)C)c1nc3ccccc3n1C2 |THB:12:11:6.5:2,7:5:2:19.20.11,18:19:6.5:2|
55863 COc1cccc(C=NNC(=O)CNC(=O)COc2ccccc2)c1O |w:8.8|
55864 COC(=O)CSc1nc2sc3CCCc3c2c(=O)[nH]1
55865 Cc1ccc2[nH]c(C(O)=O)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2c1
55866 CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O |(14.98,-2.98,;13.64,-3.75,;13.64,-5.29,;14.98,-6.06,;12.31,-6.06,;12.31,-7.6,;10.98,-5.29,;9.64,-6.06,;10.98,-3.75,;9.64,-2.98,;8.1,-2.98,;7.2,-4.22,;5.75,-3.75,;4.41,-4.52,;3.08,-3.75,;3.08,-2.21,;4.41,-1.44,;5.75,-2.21,;7.2,-1.74,;7.68,-.27,;6.65,.87,;7.13,2.34,;6.1,3.48,;4.6,3.16,;6.58,4.94,;5.55,6.09,;5.24,7.6,;4.09,6.57,;12.31,-2.98,;12.31,-1.44,)|
55867 [#7]-[#6](=O)-[#6](\C#N)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
55868 CC1(C)Cc2c(C#N)c(NC(=O)COc3cccc4ccccc34)sc2C(C)(C)N1
55869 COc1ccc(cc1)C(CCNC(C)c1ccccc1)C(C)C
55870 CCOc1ccc(cc1)C1CC(N=N1)C1C(=O)N(C)C(=O)N(C)C1=O |c:13|
55871 CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)[N+]([O-])=O
55872 CN(C)c1ccc(\C=C2\C=C(OC2=O)c2ccc3CCCCc3c2)cc1 |c:9|
55873 CC(C)CC(=O)Nc1ccc2ccccc2c1
55874 Cn1c2nc(SCCN3CCCC3)[nH]c2c(=S)n(C)c1=O
55875 [H]C12C3c4ccccc4C4([H])C([N+]([O-])=O)C([H])(N1C)C([H])(c1ccccc21)C3([H])N4C |TLB:17:15:29:2.3.8,29:27:17.15:21.26,1:2:29:19.15.11,21:19:17.2.1:29.11.9,21:19:29:2.3.8,26:1:19:29.11.9,3:2:17.15:21.26,8:9:19:17.2.1,THB:30:29:19:17.2.1,18:17:19:29.11.9,7:8:29:19.15.11,12:11:19:17.2.1,12:11:29:2.3.8,3:2:19:29.11.9|
55876 [O-][N+](=O)c1ccc2nccc(Nc3ccc(cc3)C(=O)Nc3ccc(Nc4ccncc4)cc3)c2c1
55877 Oc1ccc2ccccc2c1N=Nc1nccs1 |w:11.12|
55878 Nc1cc(Cl)ccc1-n1c(O)ccc1O |(3.91,.36,;5.24,-.41,;5.24,-1.95,;6.57,-2.72,;6.57,-4.26,;7.91,-1.95,;7.91,-.41,;6.57,.36,;6.57,1.9,;5.33,2.8,;3.86,2.32,;5.8,4.26,;7.34,4.26,;7.82,2.8,;9.28,2.32,)|
55879 [H]C12C=CC([H])(C3C1C(=O)N(NC(=O)c1ccccc1Cl)C3=O)C21CC1 |c:2,TLB:8:7:23:3.2,THB:21:6:23:3.2|
55880 Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
55881 OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1 |(3.45,13.18,;3.45,11.7,;4.73,10.96,;4.73,9.48,;3.45,8.74,;2.13,9.54,;.79,8.78,;.79,7.24,;2.13,6.48,;3.45,7.27,;4.73,6.53,;6.01,7.27,;7.34,6.48,;8.68,7.24,;8.68,8.78,;7.34,9.54,;6.01,8.74,;9.95,9.52,;9.95,11,;11.23,11.74,;12.51,11.01,;12.51,9.53,;11.24,8.79,)|
55882 O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cccs1
55883 COc1ccc(C=Nn2nnnc2N)cc1OC
55884 Cc1cc2cc3c(nc2cc1C)[nH]c(=O)[nH]c3=O
55885 Cc1[nH]ccc2c3ccc(O)cc3nc12
55886 CCOc1ccc(Nc2nc(N)nc(CSC(=S)N3CCOCC3)n2)cc1
55887 [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)C(=O)Nc2cccc(c2)[N+]([O-])=O)c1
55888 CN(C)CC(C)(C)CN=CC1C(=O)Nc2ccccc12 |w:8.7|
55889 Cc1ccc(cc1)-n1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1nccs1
55890 [O-][N+](=O)c1cccc(NC(=O)C2C3CC\C=C/CCC23)c1 |c:15|
55891 CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=S
55892 [#8]-[#6](=O)-c1ccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)cc1
55893 Cc1ccc(O)c(c1)C(=O)c1cnn(c1)C(=O)COc1ccccc1C#N
55894 NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12 |t:1|
55895 O=C(N\N=C1/C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12)c1ccco1
55896 COc1ccc(Nc2oc(\C=C3\SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1
55897 Cc1ccc(cc1C)-n1c(O)c(CN=Nc2ccccc2)c(=O)[nH]c1=O |w:13.13|
55898 Nc1nc(NCc2ccco2)nc(Nc2ccccc2)c1[N+]([O-])=O
55899 CCCCCCNC(=O)N[C@@H](C(C)O)C(=O)NCCC[C@H]1CN2[C@H](C)CN=C2N1CCC(c1ccccc1)c1ccccc1 |c:26|
55900 CCCCCCNC(=O)N[C@H](C(C)C)C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccccc3)CN=C2N1CCc1cccc(OC)c1 |c:33|
55901 CCCCCCNC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCC[C@H]1CN2[C@H](CCC)CN=C2N1CC1CCC1 |c:34|
55902 CN(CCCC[C@H](CNCc1ccc(cc1)-c1ccccc1)N1C[C@@H](N(CCc2ccc(Cl)c(Cl)c2)C(=O)C1=O)c1ccccc1)Cc1ccc(cc1)-c1ccccc1
55903 Cl.NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CO)n1cc(nn1)[C@@H](N)CO
55904 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
55905 COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccnc3Cl)ccc2N2CCCC2)cc1
55906 COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)cc(OC)c1OC
55907 CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(N(CCCCO)C=C2C1=O)c1ccsc1 |c:15,23,t:13|
55908 CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(N(CCc3ccccn3)C=C2C1=O)c1ccc(cc1)C#N |c:18,30,t:16|
55909 COc1cc(NC(=O)c2cc(C)on2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
55910 [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1csc(Nc2ccccc2)n1
55911 CN(C)c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1
55912 [#6]-[#7]1-c2ccccc[c+]2-[#7](-[#6])C11[#6](=[#6]\[#6](-[#6]=[#6]1-[#7+](-[#8-])=O)=[#7+](\[#8-])-[#8-])-[#7+](-[#8-])=O |c:14,17|
55913 Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)NCCN2CCCCC2)c1
55914 Clc1cccc(CNC(=O)c2ccc(cc2)-c2csnn2)c1
55915 COC(=O)c1onc(c1C(=O)OC)-c1c(Cl)cccc1Cl |(7.7,5.44,;6.8,4.2,;7.42,2.79,;8.95,2.63,;6.52,1.55,;4.98,1.55,;4.5,.08,;5.75,-.82,;6.99,.08,;8.46,-.39,;9.49,-1.54,;9.6,.64,;11.07,.16,;5.75,-2.36,;4.41,-3.13,;3.08,-2.36,;4.41,-4.67,;5.75,-5.44,;7.08,-4.67,;7.08,-3.13,;8.62,-3.13,)|
55916 Cc1nn(c(C)c1C=NOC(=O)Nc1ccc(C)c(Cl)c1)C(C)(C)C |w:8.9|
55917 CN(C)c1nc(cc(c1C#N)C(F)(F)F)-c1cccs1
55918 CCOC(=O)N1CCc2c(C1)sc1nc3SCC(=Nn3c(=O)c21)c1ccc(OC)cc1 |c:18|
55919 Cc1cc(nc2oc(C(=O)NN)c(N)c12)-c1ccccc1
55920 Cl.CC(C)CC(N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)C(N)COC(=O)C(F)(F)F
55921 CC(C)n1c(=O)[nH][nH]c1=S
55922 CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1
55923 COC(=O)c1sc(cc1NC(=O)CCC(O)=O)-c1ccc(cc1)C(C)(C)C
55924 FC(F)(F)c1ccccc1-n1c(=O)[nH][nH]c1=S |(3.64,-2.13,;4.41,-.8,;3.08,-.03,;5.18,.53,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;5.84,1.64,;4.37,1.17,;6.31,3.11,;7.85,3.11,;8.33,1.64,;9.79,1.17,)|
55925 Fc1ccc(Cc2cc(n[nH]c2=O)-c2ccc(F)cc2)cc1
55926 Cc1c(c(nn1C)C(=O)Sc1ccc(Br)cc1)[N+]([O-])=O
55927 CCOC(=O)C(C=Nc1ccc(Oc2cccnc2)nc1)C(=O)OCC |w:7.7|
55928 CC(C)OC(=O)c1cccc2-c3ccccc3C(=O)c12
55929 OC(=O)CCCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1
55930 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1
55931 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)cc(OC)c3)cc2C(F)(F)F)CC1
55932 CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(n[nH]4)-c4ccc(OC)cc4)cc(OC)c3)cc2C(F)(F)F)CC1
55933 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(n[nH]4)-c4ccc(Br)cc4)c3)cc2C(F)(F)F)CC1
55934 COc1cc(OC)c2ccc(=O)oc2c1C(CCN1CCN(CC1)c1ccccc1)c1ccc(cc1)N(C)C
55935 CC(=O)N1Cc2c(C)c3c([nH]c4ccccc34)c(C)c2C=C1 |c:23|
55936 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1
55937 Cc1cccc(C)c1OCC(O)CN
55938 CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C
55939 CC(=O)Nc1c([nH]c2ccccc12)C(O)=O
55940 COc1ccc(CCNC(=O)CSc2nnc(o2)-c2ccc(F)cc2)cc1OC
55941 CCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(O)=O
55942 Cc1sc2nc(N)sc2c1C
55943 Fc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)Cn1nnc(n1)-c1cccs1
55944 CCNc1nc(SC(C)C(=O)OC)nc(n1)N1CCOCC1
55945 Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1
55946 CCC(C)(C)n1nnnc1C(N1CCN(CC1)C1CCCCC1)c1cc2ccc(OC)cc2[nH]c1=O
55947 CC(C)(C)n1nnnc1C(N(CC1CCCO1)Cc1cccnc1)c1cccs1
55948 COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCc1cccs1
55949 CC(C)Cc1oc(C)c(C(O)=O)c1CN1CCCC1
55950 O=C(Cn1nnc(n1)-c1ccncc1)NCCc1ccccc1
55951 Cn1nnnc1SCC(=O)N1CCc2ccccc2C1
55952 CC12OC3(C=C1)C(C2C(=O)Nc1ccccc1)C(=O)N(C3C(=O)NC1CCCCC1)c1cccnc1 |c:4|
55953 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
55954 COc1ccc(CCNC(=O)Cn2nnc(n2)-c2ccc(cc2)N2CCOCC2)cc1OC
55955 Cc1ccc(NC(=O)CSc2nnc(COc3ccc(cc3)C#N)n2-c2ccccc2)cc1C
55956 CN(C)c1ccc(cc1)-c1nnn(CC(=O)Nc2ccccc2N2CCOCC2)n1
55957 COc1ccc(Cn2nnnc2C(N2CCC(CC2)C(N)=O)c2cc(OC)ccc2OC)cc1
55958 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(o1)-c1cccnc1)C(C)=O
55959 COCCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1)c1ccc(C)o1
55960 COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2ccccc2o1
55961 CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC
55962 Fc1cccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)c1
55963 OC(=O)c1c(NC(=O)c2ccco2)scc1-c1ccccc1
55964 Cc1ccc(cc1)C(=O)C(NC(=O)c1ccco1)N1CCOCC1
55965 Cc1cc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1
55966 Fc1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CSc1nnc(COc2ccccc2)o1
55967 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2c(C)cc(C)cc2[nH]c1=O
55968 Oc1ccc(cc1)-c1cccc(n1)-c1ccc(O)cc1
55969 O=C(CN1CCOCC1)N1CCc2ccccc2C(C1)c1ccccc1
55970 COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1
55971 O=C1CC(c2cccs2)c2cc3OCOc3cc2N1
55972 CC1CCN(CC1)C(c1nnnn1Cc1ccc2OCOc2c1)c1cc2cccc(C)c2[nH]c1=O
55973 COC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
55974 CC(C)(C)c1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)C(=O)Cc2cccs2)cc1
55975 Cc1oc(cc1C(=O)Nc1ccc2OCCOc2c1)C(C)(C)C
55976 COc1cc(c(OC)cc1NC(C)=O)S(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1F
55977 O=C(C1CCCCC1)N1CCC(CC1)c1nc2ccccc2[nH]1
55978 COc1ccc(cc1OC)C(OC(=O)c1ccco1)C(=O)NC1CCCCC1
55979 CCOC(=O)C1(CCN(Cc2cccc(c2)C(O)=O)CC1)c1ccccc1
55980 COc1ccccc1OP(C)(=O)Nc1ccc(C)cc1
55981 COc1cccc(c1)C(=O)SC1=NCCS1 |t:12|
55982 O=C1N(CCN2CCCCC2)C(=O)c2ccccc12
55983 Cc1ccccc1C(=O)NC1CC(C)(C)NC(C)(C)C1
55984 OC(=O)c1cccc(c1)N1CCCC1
55985 O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
55986 COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1
55987 CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1
55988 CCN(C(=O)Cc1cccs1)c1nnc(s1)-c1cccnc1
55989 COc1ccc(OC)c(CN2CCN(CC2)C(=O)c2cccc3ccccc23)c1
55990 Cc1cc2cc(CN(Cc3ccc4OCOc4c3)C(=O)c3ccco3)c(=O)[nH]c2cc1C
55991 Cn1c2nc(SCCN3CCOCC3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O
55992 O=C(NCCc1nc2ccccc2[nH]1)c1ccco1
55993 Cc1nn(c(C)c1NC(=O)c1cccs1)-c1ccccc1
55994 CCS(=O)(=O)N1CCCC(C1)c1nc(no1)-c1cccc(OC)c1
55995 O=C(CNCC1CCCO1)N1CCCc2ccccc12
55996 CCC(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1cccs1
55997 CCCCOc1ccc(cc1)-c1nnn(n1)C(C)(C)C(=O)OC
55998 Cc1cc(C)cc(NC(=O)CSc2nnc(o2)-c2ccccc2C)c1
55999 OC(=O)CCC(=O)Nc1nnc(s1)C(F)(F)F
56000 [H]C12CCC([H])(CC(O)(C1)c1ccccc1F)N2CCN1CCOCC1 |TLB:8:7:17:3.2,THB:10:7:17:3.2|
56001 COc1ccc(cc1)S(=O)(=O)N(CCCN1CCCC1=O)Cc1cc2cc(C)c(C)cc2[nH]c1=O
56002 COc1ccccc1N1CCN(CCCCOc2ccc(F)cc2)CC1
56003 O=C(CCCOC(=O)c1ccccc1)N1CCOCC1
56004 OC(CN1C2=NCCN2c2ccccc12)c1ccc(Br)cc1 |t:4|
56005 O=C1NC(=O)C(=CNCc2ccco2)C(=O)N1Cc1ccco1 |w:6.6|
56006 Cc1cc(=O)n2[nH]cnc2n1
56007 C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
56008 CN(C)CCN1C(C(C(=O)c2ccc(OCc3ccccc3)c(C)c2)C(=O)C1=O)c1ccncc1
56009 CN(C)c1cc(C)nc(NCc2ccccc2)c1C#N
56010 Cc1cccc(n1)-n1c(CCCN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
56011 CC12CCC(CC1=O)(C(=O)N1CCN(CC1)c1ccccc1)C2(C)C |THB:7:6:22:3.2|
56012 OC(=O)CCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
56013 Cc1cc(C)n(Cc2cc(O)n(c2O)-c2ccc(Cl)c(Cl)c2)n1
56014 CC(C)CC(=O)Nc1ccccc1N1CCCC1
56015 CC(C)C1Cc2c(CO1)c(=S)n(C)c(N)c2C#N
56016 COCCCNC(=O)c1c(N)n(-c2ccc3OCOc3c2)c2nc3ccccc3nc12
56017 CCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
56018 CCC(=NCC1CCCO1)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:3.3|
56019 C(Sc1nnc(-c2cccnc2)n1Cc1ccco1)\C=C\c1ccccc1
56020 CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1
56021 CC1CN(CC(C)O1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
56022 COc1ccc(CSc2nnc(-c3cccnc3)n2CC=C)cc1
56023 CC1CN(c2nc3n(C)c(=O)n(CC(=O)OCc4ccccc4)c(=O)c3n2C1)c1ccc(C)c(C)c1
56024 Clc1ccc(OCC(=O)Nc2nc3NC(=O)CC(c4ccccc4)n3n2)c(Cl)c1
56025 COc1ccc(cc1)-c1ccc(-c2noc(n2)-c2cccc(OC)c2)c(OC)n1
56026 COc1cccc(Oc2c[nH]nc2-c2ccc(OCC(C)=C)cc2O)c1
56027 COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CCN(C(C)C1)c1cccc(OC)c1
56028 CNCc1cc2ccc(C)cc2[nH]c1=O
56029 COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
56030 CC(=O)N1CCN(CC1)c1ccc(cc1)N=Cc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O |w:15.16|
56031 COc1ccc(C2C3C(ON2c2ccccc2)C(=O)N(Cc2ccccc2)C3=O)c(OC)c1OC
56032 COc1ccc(Oc2cncnc2-c2ccc(OCC(C)=C)cc2O)cc1
56033 COc1cc(CNc2nnc[nH]2)cc(Br)c1OC
56034 Oc1ccccc1-c1n[nH]c2C(=O)N(Cc3ccco3)C(c12)c1ccccc1F
56035 CCc1nc(OCCN(C)C)c2oc3ccccc3c2n1
56036 CN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O
56037 CN1C(=O)C(O)(c2ccccc12)c1sc(N)nc1-c1ccccc1
56038 COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)NCc1ccco1
56039 CCOc1cc(cc(OCC)c1OCC)C(=O)NC
56040 Cc1nc(C)c(NC(=O)N2CCc3ccccc23)cc1NC(=O)N1CCc2ccccc12
56041 C(NC1=NCCCCC1)c1ccncc1 |t:2|
56042 CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
56043 CC(OC(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ncc(Cl)cc1Cl
56044 [H]C12CC(C)(CN1CC(=O)C(C#N)c1ccccc1)CC(C)(C)C2 |TLB:7:6:2:20.19.23|
56045 CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2F)n1N
56046 CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
56047 Cc1nc2sccn2c1C(=O)c1cc(C)ccc1C
56048 CCOC(=O)Nc1sc(C)nc1-c1ccccc1
56049 Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccc(cc1)C(C)(C)C
56050 CN(C)CP(=O)(Nc1ccccc1)N(C)C
56051 [H]C12CCC(C)(c3c1c(nn3-c1ccccc1)C(=O)Nc1nccs1)C2(C)C |TLB:10:6:25:3.2,THB:8:7:25:3.2|
56052 CC(=C)C\N=c1/scc(C)n1N=Cc1ccco1
56053 O=S(=O)(N1CCN(CC1)c1nnnn1-c1ccccc1)c1ccccc1
56054 COCCn1cc(cc(C#N)c1=O)C(=O)c1ccccc1OCC(=O)Nc1cc(C)on1
56055 Cc1c(NC(=O)CN2CCCc3ccccc23)c(=O)n(-c2ccccc2)n1C
56056 CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1
56057 CC(=C)Cn1c(=O)c(NC(=O)c2ccccc2)c2CCCn2c1=S
56058 Clc1ccc(cc1)-c1nnc(o1)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
56059 COC(=O)c1cc(CSc2nnc(NC3CCCCC3)s2)oc1C
56060 CN(C)C(CNC(=O)CSc1nnc(o1)-c1ccco1)c1ccccc1
56061 CSc1c(CC(=O)NCCO)n(C)c2ccccc12
56062 COc1ccccc1-c1cc(no1)C(=O)NCc1ccco1
56063 CCOC(=O)N1CCN(CC1)C(=O)CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1
56064 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)NC2CCCc3ccccc23)C1=O |c:5,TLB:9:8:2:5.6,THB:27:7:2:5.6|
56065 Cn1c2ccccc2c(OCCCC(=O)NC2CCCC2)cc1=O
56066 COc1cc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(C)C)cc(OC)c1
56067 CC(C)c1cc(no1)C(=O)Nc1cccnc1
56068 CCC(=O)N1C(C2C(=O)CCCC2=Nc2ccccc12)c1ccc(cc1)N(C)C |c:13|
56069 CN1CCN(CC1)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1
56070 COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
56071 O=C1CSC(N1Cc1ccco1)c1cn(nc1-c1cc2ccccc2oc1=O)-c1ccccc1
56072 COC(=O)c1c(C)oc(C)c(C(=O)OC)c1=O
56073 CCOC(=O)c1sc2ccc(cc2c1N)S(=O)(=O)N1CCOCC1
56074 Cc1ccc(C)c(c1)C1=CSC2=NCCN12 |t:9,12|
56075 CCN(CC)c1cc(C)c2cc(NC(=O)CNC(C)=O)ccc2n1
56076 Cc1ccc(C)c(NC(=O)Cn2nnc(C(=O)Nc3c(C)cccc3C)c2N)c1
56077 CCOC(=O)CCC(=O)NCc1ccc2n(C)c(C)cc2c1
56078 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1CCN(CC1)C(=O)c1cc2cccc(OC)c2oc1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
56079 CCN(CC)CCCN1C(SCC1=O)c1ccc2OCOc2c1
56080 Clc1cccc2sc(nc12)N1CCCC1
56081 CCOc1ccccc1NC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
56082 CCOC(=O)CNC(=O)Cn1cnc2n(nnc2c1=O)-c1ccc(F)cc1
56083 CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC
56084 CC(C(=O)NCC1CCCO1)n1nc(C)n2c3ccoc3cc2c1=O
56085 CCOC(=O)N1CCN(CC1)C(=O)c1cnn2c(C)c(Cc3ccc(C)cc3)c(C)nc12
56086 COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1
56087 Cc1ccc(CCNC(=O)C2CCCN(C2)C(=O)c2cc3sccc3n2C)cc1
56088 O=C(CCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)c1ccccc1
56089 COC(=O)c1ccc2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1
56090 O=C(CN1CC(=O)Oc2ccccc12)N1CCOCC1
56091 CCCCCSc1nnc(-c2cc(Br)ccc2N)c(=O)[nH]1
56092 CCCN(CCC)C(=O)Cn1ccc(=N)c2ccccc12
56093 C(c1cccnc1)c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12
56094 COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)c(OC)c1
56095 CCOc1ccc(c2ccccc12)S(=O)(=O)n1ccc(C)n1
56096 CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1N
56097 Nc1nc(cc(n1)C(F)(F)F)-c1ccc(Cl)cc1
56098 [H]C12OC3(CN(Cc4ccc(C)cc4)C(=O)C3C1C(=O)NCc1ccco1)C=C2 |c:31|
56099 COc1ccc(NC(=O)c2oc3ccc(cc3c2C)S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
56100 Cc1ccc(cc1)C1C(C(=O)C(=O)N1c1ccccc1)S(C)(=O)=O
56101 Fc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(nn1)N1CCOCC1
56102 CC(C)CCN(C)C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
56103 CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)NCC1CCCO1
56104 Cc1cc(c(C#N)c(SCC(=O)NC(C)(C)C)n1)C(F)(F)F
56105 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)CCC(=O)NCc1ccc2OCOc2c1
56106 Fc1ccc(cc1)N1CCN(CC1)C(CNC(=O)OCc1ccccc1)c1cccnc1
56107 CC(NC(=O)c1cnc2SCCn2c1=O)c1ccccc1
56108 COCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
56109 O=P(C(N1CCOCC1)c1c[nH]c2ccccc12)(N1CCOCC1)N1CCOCC1
56110 Cc1cc(-c2ccco2)n(CC(O)=O)n1
56111 CCCc1nc2c(o1)c1ccccc1[nH]c2=O
56112 COc1ccc(cc1)N1C(=N)C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccnc1 |c:16|
56113 O=C1NC(=O)C(Cc2cccs2)C(=O)N1
56114 Fc1ccccc1N1CCN(Cc2nc(no2)-c2ccc(Cl)cc2Cl)CC1
56115 CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CC
56116 NC(=O)C1(CCN(CC1)C(=O)CSc1nc2ccccc2s1)N1CCCCC1
56117 CC(=O)Nc1cccc(c1)C(=O)OCc1ccccc1
56118 CCC(=O)c1ccccc1OCCSc1nc(C)cc(=O)[nH]1
56119 COc1ccc(Cl)c(c1)S(=O)(=O)N1CCCC1
56120 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ncccc1C
56121 CCOC(=O)CSc1nnnn1-c1cccc2ccccc12
56122 Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1
56123 O=C(NCCSc1ccccc1)c1ccccc1
56124 Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)NCc1ccncc1
56125 Oc1cc(SCc2nc3ccccc3[nH]2)c(O)n1-c1ccc(F)cc1
56126 CN1C(=O)NC(NS(=O)(=O)c2ccc(C)cc2)(C1=O)C(F)(F)F
56127 CS(=O)(=O)N(CC(=O)Nc1ccc2OCCOc2c1)Cc1ccc(Cl)cc1
56128 CC\N=C1/SCC(=O)N1c1ccc(OC)cc1
56129 Oc1ccc(O)n1-c1cccc(c1)C(=O)Nc1ccccc1
56130 OC(=O)Cn1c(SCCOc2ccccc2)nc2ccccc12
56131 OC(=O)c1cc(CN=O)ccc1OCc1ccccc1
56132 CC(C)OCCCn1c(C)c(C(C)=O)c2cc(O)ccc12
56133 COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccc(F)c(Cl)c1
56134 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc2OCOc2c1
56135 COCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
56136 COc1cc2c3N(C(=O)C22C(C#N)=C(N)Oc4cc(O)ccc24)C(C)(C)C=C(C)c3c1 |t:13,29|
56137 CSCCC(NC(=O)c1cncc(Br)c1)C(O)=O
56138 O=C(NCc1ccccc1)c1cccnc1N1CCOCC1
56139 O=C(NCc1ccccc1)NC(=O)c1ccncc1
56140 CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1
56141 Cc1ccc2[nH]c(=O)c(N3CCOCC3)c(-c3ccccc3)c2c1
56142 COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1
56143 NC(=O)COc1c(oc2ccccc2c1=O)-c1ccccc1
56144 Cc1ccc(OCC(=O)N2CCCCC2)c(Br)c1
56145 Clc1ccccc1C(=O)NCc1ccccn1
56146 Cc1cc(Cl)c(cc1OCC(N)=O)S(=O)(=O)N1CCCCCC1
56147 CC(C)CNC(=O)CN(C1CCCCC1)S(C)(=O)=O
56148 CN(c1ccc(cc1)C(=O)NCc1ccccc1)S(C)(=O)=O
56149 CCCCSc1nc2CCCc2cc1C#N
56150 Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C
56151 CCCNC(=O)N1CCN(CC1)c1ncccn1
56152 Cc1occc1C(=O)Nc1cccnc1
56153 COC(=O)c1ccc(C)c(c1)N(CCO)CCO
56154 Cc1nnc(SCc2cccc(Oc3ccccc3)c2)n1N
56155 COc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1
56156 COC(=O)c1ccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NC(C)C)cc1
56157 CCOc1ccc(Br)cc1-c1noc(n1)-c1cccs1
56158 COc1cc(Cl)c(cc1Cl)S(=O)(=O)N1CC(C)OC(C)C1
56159 Cn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1
56160 CS(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccc(Cl)cc1
56161 FC(F)(F)C1(Nc2ncccn2)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1
56162 CCOC(=O)C1CCCN(C1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccc(OC)c1
56163 CCCCS(=O)(=O)c1sc2nc3CCCCc3cc2c1N
56164 O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccco1
56165 Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccccc2)n1
56166 COc1cc2[nH]c(=S)n(CCN3CCOCC3)c(=O)c2cc1OC
56167 COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O |(3.08,2.14,;4.07,.96,;5.59,1.23,;6.11,2.67,;6.58,.05,;5.24,-.72,;5.24,-2.26,;6.58,-3.03,;7.91,-2.26,;7.91,-.72,;9.24,.05,;9.24,1.59,;8.72,3.03,;10.58,2.36,;11.91,1.59,;13.29,2.41,;14.68,1.62,;14.68,.01,;13.29,-.78,;11.91,.05,;10.58,-.72,;10.58,-2.26,)|
56168 COCC(=O)Nc1nc(ns1)-c1ccccc1
56169 CCOC(=O)c1c(N)nn(C(C)=O)c1-c1ccccc1
56170 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)CN1C(=O)c2cccc3cccc1c23
56171 COc1cc(ccc1OC(C)C)C(=O)Nc1ccc2OCCOc2c1
56172 CCc1nnc(NC(=O)CSc2nc3CCCCc3cc2C#N)s1
56173 CCOc1ccccc1NC(=O)CCc1ccc(C)o1
56174 Brc1ccc(o1)C(=O)NCCCc1ccccc1
56175 CN(C)S(=O)(=O)N1CCc2ccccc12
56176 CC(C)(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
56177 Clc1ccc(Cn2ncc3c(ncnc23)N2CCCC2)cc1
56178 COc1ccc(cc1OC)S(=O)(=O)NCCC(C)C
56179 CCSc1ccccc1C(=O)NCCCn1ccnc1
56180 COc1ccc(Br)c2Cc3sc(NC(=O)c4ccco4)nc3-c12
56181 Cn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1
56182 COC(=O)c1cc(NC(=O)c2ccoc2C)cc(c1)C(=O)OC
56183 COC(=O)c1ccccc1NC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
56184 Oc1cc(Nc2ccccc2)c(O)n1-c1ccc(cc1)N1CCOCC1
56185 CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nncs2)c(Cl)cc1Cl
56186 COc1ccc(cc1)N(C(C)C(=O)NC1CCCCCC1)S(C)(=O)=O
56187 Clc1ccccc1-c1nc(no1)-c1cccnc1
56188 Cc1ccc(cc1)N(C1CS(=O)(=O)C=C1)C(=O)C1CCCC1 |c:14|
56189 COC(=O)c1cccc(NC(=O)CSc2nnc(C(C)NC(=O)c3cccs3)n2CC=C)c1
56190 Cc1ccc(cc1C)-c1n[nH]c2OC(=N)C(C#N)C(c3ccoc3)c12
56191 Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1
56192 Clc1ccc2c(ccnc2c1)N1CCNCC1
56193 FC(F)(F)c1cccc(c1)-c1nnn(CC(=O)N2CCOCC2)n1
56194 CS(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1F
56195 CCC(=O)Nc1cc(C(C)C)c(O)cc1C
56196 Fc1ccccc1CN1CCN(CC1)C(=O)c1cccc(Cl)c1
56197 CN(c1ccccc1)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
56198 CCN(CCNS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)c1ccccc1
56199 CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NCc2ccco2)c1C
56200 Cc1noc(C)c1S(=O)(=O)N(CC(=O)Nc1ccc(C)cn1)c1cc(C)cc(C)c1
56201 CC1CCCCN1S(=O)(=O)c1coc(c1)C(N)=O
56202 [H]C12OC3(C=C1)C(CC(C)=C)N(C(=O)C3C2C(O)=O)c1cccc(OC)c1 |c:4|
56203 CC(C)N(CCCNC(=O)CC1Oc2ccccc2NC1=O)Cc1ccccc1
56204 CC1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccn1 |c:12,(3.08,-3.7,;4.62,-3.7,;5.39,-5.03,;6.93,-5.03,;7.7,-3.7,;6.93,-2.37,;5.39,-2.37,;8.61,-4.94,;10.07,-4.47,;11.32,-5.37,;10.07,-2.93,;11.32,-2.02,;8.61,-2.45,;8.13,-.99,;6.62,-.67,;9.16,.16,;8.68,1.62,;9.71,2.77,;11.22,2.44,;12.25,3.59,;11.78,5.05,;10.27,5.37,;9.24,4.23,)|
56205 COCCCNC(=O)CC1Oc2ccccc2NC1=O
56206 Cc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1 |t:7|
56207 CN(CC(=O)N1CCN(CC1)c1cc(C)ccc1C)S(=O)(=O)c1ccc2NC(=O)CCc2c1
56208 CCc1ccc(cc1)C1CC(c2ccccc2)n2ncnc2N1
56209 O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCC1=O
56210 COc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3cccnc23)c(OC)c1
56211 Cc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)cc1F
56212 CCOC(=O)C1CCCN(C1)c1c(NCCCN(C)c2ccccc2)c(=O)c1=O
56213 CC1CCCCN1CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
56214 Clc1ccc(NC(=O)Cn2ncc3COc4ccccc4-c23)nc1
56215 CC(C)Cc1cc(no1)C(=O)NCCN1CCOCC1
56216 [H]C12OC3(CN(CC(=O)OCC)C(=O)C3C1C(=O)Nc1ccc(OCC)cc1)C=C2 |c:31|
56217 O=C(N1CCc2ccccc12)c1cnn2ccccc12
56218 COc1ccccc1OCC(O)CN1C(=O)NC(C)(C)C1=O
56219 COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCCCC3)c12
56220 Clc1ccc(cc1)-c1ccc(=O)n(CC(=O)NCC2CCCO2)n1
56221 COc1ccc(cc1)-c1cc(CCCC(=O)N2CCN(CC2)C(=O)c2ccco2)no1
56222 COc1cc(NC(=O)c2nccnc2C(O)=O)cc(OC)c1
56223 CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)cc2C)c1C
56224 CC1=Nc2nc(nn2C(C1C(N)=O)c1ccccn1)-c1ccccc1Cl |t:1|
56225 CCOC(=O)N1CCN(CC1)c1c(NCc2ccccn2)c(=O)c1=O
56226 CCn1ncc(C2=NOC(C2)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C |t:6|
56227 C1CC(=CCN1c1nc2ccccc2n2cnnc12)c1ccccc1 |c:2|
56228 CC(C)OCCCNS(=O)(=O)c1ccc2n(C)c(=O)oc2c1
56229 COc1cccc(CNc2ccc3n(cnc3c2)C(C)C)c1OC
56230 CC(C)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)cc1
56231 CC1CCCC(C)N1CC(O)COc1ccc(cc1)C(C)=O
56232 CCSc1nnc(s1)N1C(=O)CC(c2ccsc2)C2=C1CC(C)(C)CC2=O |c:20|
56233 CCN(CC)c1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1
56234 COc1ccc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1
56235 null
56236 CCCCN(C)C(=O)CS(=O)(=O)Cc1nc(oc1C)-c1cccc(OC)c1
56237 Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)N1CCN(CC1)c1ncccn1
56238 CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc12
56239 CC(=O)c1c(C)nn(C(=O)c2cccs2)c1C
56240 COc1ccc(OC)c(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccc3cccnc23)c1
56241 O=C1N(C(Nc2ccc3OCCOc3c2)c2ccccc12)c1ccccn1
56242 COc1ccccc1-n1c2CC(C)(C)CC(=O)c2cc(C(=O)N2CCC(C)CC2)c1=O |(3.08,-4.62,;4.41,-3.85,;5.75,-4.62,;5.75,-6.16,;7.08,-6.93,;8.41,-6.16,;8.41,-4.62,;7.08,-3.85,;7.08,-2.31,;8.41,-1.54,;9.79,-2.36,;11.19,-1.57,;12.73,-1.58,;11.95,-2.91,;11.19,.03,;9.79,.82,;9.77,2.36,;8.41,,;7.08,.77,;5.75,,;4.41,.77,;3.08,,;4.41,2.31,;5.75,3.08,;5.75,4.62,;4.41,5.39,;4.41,6.93,;3.08,4.62,;3.08,3.08,;5.75,-1.54,;4.41,-2.31,)|
56243 [H]C12CC(C)(CN1C(=O)c1cc(on1)-c1ccccc1O)CC(C)(C)C2 |TLB:7:6:2:22.21.25|
56244 CCOc1ccc(cc1)-n1c(SCC(N)=O)nc2c3ccccc3[nH]c2c1=O
56245 CC(C)c1nc(SCc2c(F)cccc2Cl)c2c(n1)n(C)c(=O)n(C)c2=O
56246 CCOCCn1c(CN2CCOCC2)nc2n(C)c(=O)[nH]c(=O)c12
56247 CCOC(=O)CC1N(Cc2cccc(c2)C(F)(F)F)CCNC1=O
56248 CCOC(=O)N1CCC(CC1)Nc1ncnc2n(ncc12)-c1ccc(C)cc1C
56249 COc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1 |t:19|
56250 CCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(Cl)cc1 |c:7|
56251 FC(F)(F)c1ccccc1NC(=O)CSc1ncnc2c3ccccc3oc12
56252 COc1ccc(cc1)-n1c(SCC(=O)Nc2cc(C)on2)nc2CCSc2c1=O
56253 CCn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc1ccc(OC)cc1
56254 Fc1ccccc1-c1nc(C#N)c(NCc2ccccc2)o1
56255 O=C1N(CCc2nc3ccccc3c(=O)n2Cc2ccco2)C(=O)c2ccccc12
56256 CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccco1
56257 null
56258 CC(=O)c1c(C)n(-c2ccccc2)c(=O)nc1NCc1ccccc1
56259 Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cn1
56260 CC(=O)NC1CSCC1OC(C)=O
56261 Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3Cl)CC2)c(Cl)c1
56262 CCOC(=O)C(C)n1cnc2sc3CCCc3c2c1=O
56263 CCCn1ncc(SC)c(O)c1=O
56264 COC(=O)c1cc(ccc1Cl)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:26,TLB:16:15:20:23.24,THB:12:14:20:23.24|
56265 OC(=O)Cc1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
56266 FC(F)(F)c1cc(nc2nc(nn12)C(=O)N1CCCCC1)-c1ccccc1
56267 COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1
56268 Brc1ccc(o1)C(=O)NC1CCCCC1
56269 CCNc1nc(NCC)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1
56270 CCCC(C)C1C(C#N)C(=N)Oc2c1c(=O)oc1ccccc21
56271 CC1(C)CC(=O)c2cnc(NC(=O)CCc3ccccc3)nc2C1
56272 [#6]-c1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1 |t:15|
56273 Cc1nc(=O)c(c(C)n1CC1CCCO1)-c1ccccc1
56274 O=[#6]-1\[#6](=[#6]\[#7]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-c2ccccc-12
56275 OC(=O)CCC(=O)CCC(=O)c1ccc(Cl)cc1
56276 CC1(C)CC(=O)C=C(C1)NCC(O)=O |c:6|
56277 COC(=O)CCCCCC(CCC(=O)OC)NC(C)=O
56278 OC(=O)CP(=O)(c1ccccc1)c1ccccc1
56279 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CN(C(=O)C3)c3ccccc3)cc2)n1
56280 CCCCOCCCNC(=O)C1CCCCC1
56281 CCN(CC)C(=O)CSc1ccccc1N
56282 [#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]\[#6]=[#6]-2/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6]-[#6]-1
56283 OC1(CC(=O)c2ccc3ccccc3c2O1)C(F)(F)F
56284 CC(NC(C)=O)c1ccc(Cl)c(Cl)c1
56285 CC1(C)CC(=O)c2cnc(NC(=O)Cc3ccc(Cl)cc3)nc2C1
56286 O=C(NCC1CCCO1)c1c(NC(=O)c2cccs2)sc2CCCCc12
56287 CCCn1c(NCc2cccs2)nc2ccccc12
56288 CC(=O)C1C(c2cccs2)C(C(C)=O)=C(C)N=C1C |c:17,t:14|
56289 CC(=O)Nc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1
56290 O=C(NCCOC(=O)C1COc2ccccc2O1)C1COc2ccccc2O1
56291 CCOCCCNC(=O)c1cccs1
56292 CC(N1CCOCC1)C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1
56293 COc1ccc(CCNS(=O)(=O)c2ccc3OCCOc3c2)cc1OC
56294 CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC(C)C)cc1
56295 COCCCNC(=O)C(F)(F)C(F)(F)C(=O)NCCCOC
56296 CN(C)C1OC2=C(C=C1C)C(=O)c1cccc3cccc2c13 |c:5,7|
56297 CC(=O)N1CN2CN(CC(C2)(C1)C(=O)c1ccccc1)C(C)=O
56298 CC1=C(C(C2C(=O)CCCC2=N1)c1cccs1)C(=O)N1CCCCC1 |c:11,t:1|
56299 CN(C)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
56300 Cc1cccc(Nc2sc(=O)n(c2O)-c2ccccc2)c1
56301 Cc1nnc(NC(=O)c2cccc(F)c2)s1
56302 COc1cccc(c1)C(=O)N1CCSC1=S
56303 CCOC(=O)Nc1c(O)ccc2oc(C)c(-c3ccccc3)c12
56304 COc1ccccc1CNc1nc(Cl)c(-c2ccc(OC)c(OC)c2)n(-c2ccccc2)c1=O
56305 CN1c2ccccc2Sc2ccc(cc12)C(C)=O
56306 CC(C)C(NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nc(C)cs2)n1CC=C
56307 CC(=O)NC(c1ccc(F)cc1)c1cccnc1
56308 CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C
56309 Cc1cc(=O)oc2cc(OCC(=O)NCc3ccco3)ccc12
56310 COc1cccc(c1)C(=O)C1C(N(CCCN2CCOCC2)C(=O)C1=O)c1ccncc1
56311 Cn1cc(-c2nnc(o2)-c2ccccc2)c2ccccc12
56312 O=C(CSc1nc2cccnc2n1Cc1ccccc1)N1CCCC1
56313 Cc1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1
56314 Clc1ccc(cc1)-c1ccc(SCc2ccccn2)nn1
56315 CCn1c(NCc2ccc3OCOc3c2)nc2ccccc12
56316 CC(=O)c1[nH]c(C)c(C(C)=O)c1C
56317 CC(CC(=O)NC1CCCC1)c1ccccc1
56318 COc1ccc2oc(C(=O)c3ccccc3)c(N)c2c1
56319 CCOC(=O)C1CCCN(C1)c1cc(O)n(c1O)-c1ccc(C)cc1
56320 COc1ccc(CCNC(=O)C(=O)NCC2CCCO2)cc1OC
56321 CC1CCCN(CC(=O)N2CCCc3ccccc23)C1
56322 Nc1nnc(CCOc2ccc(Cl)cc2)s1
56323 CCN(CC)CCN1C(Nc2ccccc2C1=O)c1ccccc1F
56324 Cc1cccc(N2C(=O)CSC2=NNC(=O)c2ccc(Br)cc2)c1C
56325 COc1ccc(CNCCCO)cc1OC
56326 CCN1CCN(CC1)C(=O)Nc1ccccc1OC
56327 CCOc1ccc(cc1)N(C(C)=O)c1nc(C)cc(C)c1C#N
56328 O=C(Cn1nnc(n1)-c1ccccc1NC(=O)C1CCC1)N1CCc2ccccc2C1
56329 COc1cc(C)nc(n1)N1CCCC(C1)C(=O)NCC(C)C
56330 Cc1ccc(NC2=NCC(=O)N2C2CCCC2)c(C)c1 |t:6|
56331 null
56332 CCCc1nnc(SCC(=O)N2CCCCC2)n1CC1CCCO1
56333 COc1ccc(CC(=O)N2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
56334 CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C)c(C)c1)c1ccccc1
56335 Cc1ccc(cc1C)S(=O)(=O)N1CCN=C1c1ccccc1 |c:15|
56336 COc1cccc(NC(=O)COc2ccc(cc2)S(=O)(=O)NC(C)C)c1
56337 Cc1nn(Cc2ccc(o2)C(=O)Nc2cc(C)cc(C)c2)c(C)c1Cl
56338 CCCCC(=O)[N-]S(=O)(=O)c1ccc(cc1)\N=N\N(C)C
56339 Clc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1
56340 Clc1ccc(cc1)\N=C(/N1CCOCC1)P(=O)(N1CCOCC1)N1CCOCC1
56341 CC(=NOc1nc(C)cc(C)n1)c1ccc(Br)cc1
56342 Cl\C(C=NNC(=O)c1cnccn1)=C\c1ccccc1
56343 COc1cccc2C3C(COc12)COc1c3c(=O)n(C)c(=O)n1C
56344 COc1ccc(cc1)C(=O)c1cnc2cc3OCOc3cc2c1C
56345 NC1=NC(SCc2ccccc2)=C(C#N)C2(CCCC2)C1C#N |t:1,12|
56346 Fc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
56347 Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
56348 Cc1occc(=O)c1OC(=O)Nc1ccc(Cl)c(Cl)c1
56349 CCOc1ccccc1NC(=S)NCc1ccco1
56350 COc1cc(CNC(C)(C)CO)ccc1OCC(=O)Nc1ccc(Br)cc1
56351 CC1CN(CCN1c1cccc(C)c1)C(=O)c1ccc2nc(-c3ccccc3NC(C)=O)c(=O)[nH]c2c1
56352 Cc1cc(no1)-n1c(O)cc(Cc2ccc(Cl)cc2)c1O
56353 O=C(NCc1cccs1)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 |(9.52,4.85,;8.18,4.08,;6.85,4.85,;6.85,6.39,;5.52,7.16,;5.36,8.69,;3.85,9.01,;3.08,7.68,;4.11,6.53,;8.18,2.54,;9.52,1.77,;9.52,.23,;8.18,-.54,;8.18,-2.08,;9.52,-2.85,;9.52,-4.39,;7.98,-4.39,;11.06,-4.39,;9.52,-5.93,;8.18,-6.7,;8.18,-8.24,;9.52,-9.01,;10.85,-8.24,;12.31,-8.71,;13.21,-7.47,;12.31,-6.23,;10.85,-6.7,;6.85,.23,;6.85,1.77,)|
56354 CC1CCN(CC1)c1ccc(cc1)-n1c(C)nc2n(ncc2c1=O)-c1ccc(Cl)cc1
56355 COc1ccc(cc1OC)S(=O)(=O)n1nc(cc1N)-c1ccc(Cl)cc1
56356 NC(=O)C1(CCN(Cc2ccc(F)cc2)CC1)N1CCCCC1
56357 CCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
56358 O=C(CCS(=O)(=O)c1cccc2nsnc12)NC1CCCCCC1
56359 CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C(=O)OCC)c1C
56360 Cc1ccc(NC(=O)C2CCN(CC2)S(C)(=O)=O)cc1
56361 CC(C)(CO)N=CC1C(=O)Nc2ccccc12 |w:5.4|
56362 CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)cc1
56363 Fc1cc(Br)ccc1NC(=O)CCCN1C(=O)CCC1=O
56364 Clc1cccc(NC(=S)N2CCN(CCNC=C3C(=O)CC(CC3=O)c3ccccc3)CC2)c1 |(3.08,-11.63,;4.41,-10.86,;5.75,-11.63,;7.08,-10.86,;7.08,-9.32,;5.75,-8.55,;5.75,-7.01,;7.08,-6.24,;8.41,-7.01,;7.08,-4.7,;5.75,-3.93,;5.75,-2.39,;7.08,-1.62,;7.08,-.08,;8.41,.69,;8.41,2.23,;9.75,3,;9.75,4.54,;11.08,5.31,;12.42,4.54,;11.08,6.85,;9.75,7.62,;8.41,6.85,;8.41,5.31,;7.08,4.54,;10.52,8.96,;12.06,8.96,;12.83,10.29,;12.06,11.63,;10.52,11.63,;9.75,10.29,;8.41,-2.39,;8.41,-3.93,;4.41,-9.32,)|
56365 CSc1ccccc1C(=O)Nc1cccc(c1)C(C)=O
56366 CCOC(=O)CN(c1cccc(c1)C(C)=O)S(C)(=O)=O
56367 COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)c3ccc(Br)cc3)n2CC=C)cc1
56368 Cc1cccc(OCCn2c(nc3ccccc23)-c2ccco2)c1
56369 CCn1c(=S)[nH]c2nc3CCCCc3cc2c1=O
56370 CCCCNC(=O)Cc1coc2ccc3ccccc3c12
56371 Cc1ccc(CSCC(=O)Nc2ccc3OCOc3c2)cc1
56372 CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCC(CC1)C(N)=O
56373 Brc1ccccc1OCc1ccc(o1)C(=O)N1CCN(CC1)c1ccccn1
56374 COc1cccc(Nc2nc3ccccc3n3cnnc23)c1
56375 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
56376 CCOc1ccc(CCNC(=O)c2cc3ccccn3n2)cc1OCC
56377 CCOc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
56378 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2ccccc2-[#16]-c2ccccc2)-[#6](=O)-[#6]1
56379 CCCn1c(N=Cc2ccc3OCOc3c2)nc2ccccc12
56380 CC(=O)Nc1nnc(SCc2ccc(F)cc2)s1
56381 [H]C12CCN(CC1)C1=C2NC(=S)NC1c1ccc(Br)cc1 |c:8,TLB:13:7:2.3:6.5,THB:9:8:2.3:6.5|
56382 Clc1cc(Cl)cc(NC(=O)c2cnn3cccnc23)c1
56383 CC(O)C\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
56384 Fc1ccc(CN2CCCN(CC(=O)NC3CCCCCCC3)C2=O)c(Cl)c1
56385 COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc(OC)c1
56386 CN1C(=O)CSc2ccc(NC(=O)Nc3cccc(C)n3)cc12
56387 O=C(NCc1ccccc1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
56388 CCOC(=O)C1C(=N)OC2=C(C(=O)CCC2)C11C(=O)N(CC(N)=O)c2ccccc12 |t:9|
56389 Cc1occc1C(=O)Nc1c(C)cc(C)cc1C
56390 CCOC(=O)C1CCCN(C1)C(=O)c1ccccc1SCC
56391 CC(C)CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccco1
56392 COc1ccc(NC(=O)c2cccnc2N2CCCC2)cc1
56393 COC(=O)CNC(=O)CNC(=O)Nc1ccccc1Cl
56394 CCC(C)OC(=O)C(C)Oc1ccc(cc1)-c1ccccc1
56395 Fc1cccc(NC(=O)C2CCN(CC2)C(=O)c2ccccc2Cl)c1
56396 COc1ccc(cc1)S(=O)(=O)Nc1cc2c3c(CC(C)(C)CC3=O)oc2c2ccccc12
56397 COc1ccc(cc1)-c1noc(CSc2ccc(C)cc2)n1
56398 O=C(NCCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1
56399 Nc1c(cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1)-c1ccccc1
56400 CCCCn1nnc(NC(=O)COc2ccc(Cl)c(C)c2)n1
56401 COC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1\C=C\c1ccccc1 |c:4,t:7|
56402 COc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1
56403 Cc1ccccc1NC(=O)CSc1nc2ccccc2o1
56404 CCN1CCN(CC1)c1cc(nc2c(c(C)nn12)-c1ccccc1)C(C)(C)C
56405 null
56406 CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1
56407 Fc1ccc(cc1)N1CCN(Cc2cc(=O)oc3cc4CCCCc4cc23)CC1
56408 CN1C(=O)C(NC(C)=O)c2cc(Br)ccc12
56409 Oc1ccc(C2Nc3cccc4cccc(N2)c34)c(O)c1
56410 O=c1n(CCN2CCCCC2)c2sc3CCCCCc3c2c(=O)n1Cc1ccco1
56411 CC(C)(C)C(=O)NC1(C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2)C(F)(F)F |c:19|
56412 Cc1ccc(C=Nn2cnnc2)s1
56413 CN1CCN(CC1)C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O
56414 CCC(=O)C1=C(CC(C)(C)CC1=O)N1CCCC1 |t:4|
56415 [H]C12CCC3(C)C1(C)COC3(C2)C(=O)Nc1nccs1 |TLB:3:4:1.11:9.8,2:1:4:9.8,THB:8:6:10.11:3.2,5:4:1.11:9.8,7:6:10.11:3.2|
56416 CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(C)cc2[nH]1
56417 Cc1ccc2nc(C)c(=NO)c(C)nc2c1 |w:9.9|
56418 CN1\C(=C/C(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C(C)(C)c2ccccc12
56419 CC1Cc2ccccc2N1C(=O)C1CCCCN1S(=O)(=O)c1ccccc1
56420 Clc1ccc(cc1)C(=O)NC(Cc1c[nH]c2ccccc12)c1nnc2CCCCCn12
56421 CCCC(C)N=C1CCCCCN1 |w:5.4|
56422 FC(F)(F)c1cnc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c(Cl)c1
56423 COc1ccc(OCCCc2c(C)n[nH]c2C)cc1
56424 COc1ccc(cc1)C(=O)NC(=S)N1CCCCC1
56425 CSc1nc(nc(N)c1C(C)=O)-c1ccccc1
56426 CCC(CC)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
56427 Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1
56428 CC(C)(C)C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
56429 CC1CCCCC1NC(=O)COC(=O)c1ccc(OCc2c(C)noc2C)cc1
56430 O=c1c2CCCCc2nc2c(c[nH]n12)C#N
56431 CCc1nnc(NC(=O)CSc2nc(c[nH]2)-c2ccccc2)s1
56432 CN(C)C(Cc1ccccc1)C(=O)c1ccc(cc1)-c1ccccc1
56433 COc1cc(cc(OC)c1C)C(=O)N1CCN(C\C=C\c2ccccc2)CC1
56434 CCc1nnc(NC(=O)CSc2nc3ccccc3o2)s1
56435 Fc1ccc(cc1F)S(=O)(=O)Nc1ccccc1C(=O)NCCCn1ccnc1
56436 CC(C)(C)c1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)[nH]1
56437 Clc1cccc(Cl)c1Cn1cnc2c(NCc3ccco3)ncnc12
56438 COc1ccc(C=C2CCCC3C(N(N=C23)C(=O)COC(=O)CNC(=O)c2ccccc2)c2ccc(OC)cc2)cc1 |w:6.5,t:14|
56439 C[C+]([N-]NS(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O)c1cc2ccccc2o1
56440 CCOC(=O)c1cc(sc1NC(=O)CN1C(=O)NC(CC)(C1=O)c1ccccc1)-c1ccccc1
56441 CC1CC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)N1C(=O)c2cccc(N)c2C1=O
56442 O=C(NCCN=C1NS(=O)(=O)c2ccccc12)c1ccco1 |w:5.4|
56443 CN(CC(=O)Nc1nc(c(C)s1)-c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1)C1CCCCC1
56444 COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)C(=O)NC1CCCCCC1
56445 FC(F)(F)c1cccc(NC(=O)N2CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)c1
56446 CCCOc1ccc(C=NNC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
56447 CCOC(=O)c1sc2cc(cc(SCC(=O)OC)c2c1N)[N+]([O-])=O
56448 Cc1cc(C=NNC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c(C)n1-c1ccc(C)cc1 |w:5.5|
56449 CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Oc1cccc(c1)-c1cnc2ccccc2n1
56450 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OC(C)C)-c1ccc(C)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
56451 CC(O)C1CCC2C3CC[C@H]4CC(O)CCC4(C)C3CC3(OCCO3)C12C
56452 CCCC(=O)NC(=S)Nc1ccc(Cl)cn1
56453 [H]C12CCC([H])(C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)Nc1ccccc1C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
56454 Cc1ccccc1NC(=O)C1(CCCCC1)NC(=O)c1cccc(c1)N1C(SCC1=O)c1ccccc1
56455 COc1cccc(c1)C(=O)NN=Cc1ccc(OC2CSC2)cc1
56456 COc1ccc(cc1)\N=C1\S\C(=C/c2cc(C)n(C)c2C)C(=O)N1C
56457 Cc1occc1C(=O)NNC(=O)c1ccccc1C
56458 [O-][N+](=O)c1ccc(OCC(=O)N[N-][C+]2CCCC2)cc1
56459 NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc(F)cc2)Cc2ccco2)c1N
56460 COc1cc(cc(OC)c1OC)C(=O)N1CCC(O)(CC1)c1ccccc1
56461 CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC
56462 CN(CC(=O)Nc1ccc(cc1)C#N)Cc1ccc(Cl)cc1Cl
56463 CCOc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)cc1
56464 Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)no1
56465 CSc1cc(C)n(-c2ccccc2)c(=S)c1C(C)=O
56466 COc1ccc(cc1)-c1nnc(SCC(C)=C)n1N
56467 COc1ccc(OC)c(c1)C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:13|
56468 NC1=c2c(N)c(C#N)c(N)nc2=C2C(CC(=O)N=C2S1)c1c(F)cccc1Cl |c:1,18,t:12|
56469 OC(CNc1ccccc1)COc1ccc(OCC(O)CNc2ccccc2)cc1
56470 Cn1c2ccccc2n(CC(=O)c2cccs2)c1=N
56471 COc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
56472 COCCNC(=O)CSc1nc2ccc(cc2c(=O)n1Cc1ccc(OC)cc1)N1CCOCC1
56473 Cc1nc(Cl)c(cc1-c1ccccc1)C#N
56474 CN(C)C(=CN1CCN(CC1)C=O)c1nc(oc1O)-c1ccccc1 |w:4.4|
56475 CN(C)C(=O)CSC1N(C(=O)c2ccccc12)c1ccccc1
56476 CCc1cccc(Oc2nnn[nH]2)c1
56477 Cn1nc(-c2ccccc2)c2cc(sc12)-c1nnc(SCC=C)n1C
56478 CN1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)C(F)(F)F
56479 Cc1ccc(cc1)-n1ncc(NCC=C)c(Cl)c1=O
56480 CCOC(=O)c1cnc(nc1Oc1ccc(Cl)c(Cl)c1)-c1ccccc1
56481 COC(=O)c1ccccc1NC(=O)Oc1ccc(cc1)C(C)C
56482 CC(C)NC(=O)ON=C(C)c1sc(nc1C)-c1ccc(Cl)cc1 |w:7.6|
56483 Brc1ccc(NC(=O)CSC2CC(=O)N(CCc3ccccc3)C2=O)cc1
56484 O=C(CSc1ncccn1)n1c2CCCCc2c2ccccc12
56485 CC(=O)NN1C(=S)S\C(=C\c2ccccc2)C1=O
56486 Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(C)cc2)n1
56487 [O-][N+](=O)c1cccc(c1)[C+]1[N-]OC2(CN(Cc3ccccc3)CC12)C(=O)NCc1ccc(cc1)C(F)(F)F
56488 COc1ccc(CN(C(C(=O)NC2CCCCC2)c2ccc3ncccc3c2)C(=O)c2ccc3OCCOc3c2)cc1
56489 COc1cccc(c1)-c1csc(n1)N1CCN(CC1)C(=S)Nc1ccccc1
56490 COc1ccccc1NC(=O)c1csc2CCCCc12
56491 Clc1ccc(cc1Cl)\N=C(\N1CCOCC1)c1ccccc1
56492 Cc1nc(Cl)c2oc3ccccc3c2n1
56493 CCCOc1ccc(OCCNC2CCCC2)cc1
56494 CCCCC(=O)Nc1cc(ccc1Cl)C(=O)NCCc1ccccc1
56495 CSc1nc(Sc2ccc(Cl)cc2)c2ccccc2n1
56496 COc1ccc(Oc2ccccc2C=O)cc1
56497 CN1C(=O)S\C(=C/c2ccccc2Oc2ccc(C)cc2)C1=O
56498 OCc1cc(=O)c(OCc2cccc(F)c2)co1
56499 CC(=O)c1cccc(NC(=O)c2csc(n2)-n2nc(C)cc2C(F)(F)F)c1
56500 CCOC(=O)n1c2ccccc2n(Cc2c(Cl)cccc2Cl)c1=O
56501 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCCNC(=O)Nc1ccc(OC(F)(F)F)cc1
56502 Cc1ccc(NC(=O)Cc2ncc(cc2Cl)C(F)(F)F)cc1Cl
56503 O=C(Cc1cccs1)N(C(C(=O)NCC1CCCO1)c1cccnc1)c1ccccc1
56504 COc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccco1 |c:6,8|
56505 CCOC(=O)c1nnc(nc1NC(C)C)-c1cccs1
56506 Oc1ccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)cc1
56507 COc1ccc(Oc2ccccc2CN=O)cc1
56508 COC(=O)c1scc(C)c1NC(=O)Cc1ccccc1
56509 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc2ccccc2s1)C(C)=O
56510 Cc1ccc(Sc2cc(Cl)nc(N)n2)cc1
56511 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCN(CC1)c1ccc(c(NCC2CCCO2)c1)[N+]([O-])=O
56512 Cc1cccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)c1
56513 COC(=CC=Nc1ccc(Br)cc1)C(C#N)C#N |w:5.5,3.3|
56514 COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1cccc(Cl)c1N1CCOCC1
56515 O=C(NN=Cc1ccc2OCOc2c1)C1COc2ccccc2O1
56516 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
56517 Cc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1C
56518 CCC(=O)c1ccc(OCc2ccc(cc2)C(=O)OC)c(OC)c1
56519 CCc1ccc(cc1)C(=O)COC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)c1ccccc1nc2C
56520 CCc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
56521 null
56522 O=C(N\C(=C\c1ccco1)C(=O)OCN1C(=O)c2ccccc2C1=O)c1ccccc1
56523 CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)c1cccc(c1)[N+]([O-])=O
56524 Cn1c(Sc2ccc(cc2[N+]([O-])=O)C(F)(F)F)nnc1-c1ccccc1
56525 CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
56526 Fc1ccc(cc1)-c1csc2ncnc(Nc3ccc(cc3)N3CCOCC3)c12
56527 Clc1ccccc1NC(=O)CS(=O)(=O)c1ccc2ccccc2c1
56528 CCC(CO)NC1=C(C(=O)CC(C)(C)C1)[N+]([O-])=O |t:6|
56529 Clc1ccc(CNC2=CC(=O)CCC2)cc1 |t:7|
56530 COc1cccc(Nc2ccc(Nc3cccc(OC)c3)nn2)c1
56531 Clc1ccc(OC(=O)c2ccc(COC(=O)CCC(=O)Nc3ccccc3)cc2)cc1
56532 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Oc1cccnc1-c1ccc(OC)cc1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
56533 CSc1nc(nn1C(=O)c1ccccc1)-c1ccc(Cl)cc1
56534 Cc1ccc(cc1)S(=O)(=O)CCC(=O)OCc1ccc(Cl)cc1
56535 COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(C)c2)ccc1OC(=O)c1ccco1
56536 Cc1cc(C)c(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)c(C)c1
56537 [O-][N+](=O)c1ccc(NC(=O)NNC(=O)c2cccnc2)cc1
56538 COc1ccc(cc1Cl)C(=O)Nc1ccccc1C(O)=O
56539 CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(C)cc1
56540 NC1=NC(=O)C(S1)=CC=Cc1ccccc1 |w:9.10,7.8,t:1|
56541 Cc1ccc(C)c(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
56542 CC(=O)c1ccc(cc1)S(=O)(=O)N(C1=NCCCS1)c1cccc2ccccc12 |t:14|
56543 Oc1ccc(Nc2c3CCCc3c(C#N)c3nc4ccccc4n23)cc1
56544 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2n(c3CCCC(=O)c3c2c1)S(=O)(=O)c1ccc(C)cc1
56545 COc1cc(C=NNC(=O)C(=O)Nc2ccccn2)ccc1O |w:6.6|
56546 [O-][N+](=O)c1ccc(cc1)C1Nc2cccc3cccc(N1)c23
56547 OC(=O)\C=C\C(=O)Nc1cccnc1
56548 Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1ccc(O)cc1
56549 Cc1ccc(cc1)C(=O)NC(NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(Cl)(Cl)Cl
56550 Cc1cc(N=NCc2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1 |w:4.3|
56551 COc1ccc(CCc2nc(C)ccc2O)cc1
56552 [O-][N+](=O)c1ccc(Nc2ccc(F)cc2)nc1
56553 CC(C)COc1cccc(c1)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1
56554 Clc1cccc(\C=C\C(=O)NCc2ccncc2)c1
56555 COc1ccc(cc1)C(=O)NNC1=CC(=O)CC(C)(C)C1 |t:13|
56556 Cc1cc(Oc2ccc(cc2[N+]([O-])=O)-c2nnc(o2)-c2ccccc2)ccc1Cl
56557 COc1ccc(Cl)cc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc(C)c(c1)[N+]([O-])=O
56558 COc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1
56559 Cc1ccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)o1
56560 COc1ccc2=NC(=NNC(c3ccc(cc3)N3CCOCC3)=c2c1)c1cccnc1 |c:7,24,t:5|
56561 Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1
56562 CCOc1ccc(Cn2ccnc2)cc1[N+]([O-])=O
56563 O=c1oc(nc2ccccc12)-c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
56564 [H]C12C3C(C(=O)N(C3=O)c3nc(cs3)-c3ccc(OC)cc3)C([H])(c3ccccc13)c1ccccc21 |TLB:31:30:3.2:29.24,25:24:3.2:35.30,4:3:29.24:35.30,THB:34:35:3.2:29.24,28:29:3.2:35.30,7:2:29.24:35.30,(20.09,1.47,;19.37,.83,;15.54,-.86,;16.31,-2.19,;15.28,-3.33,;15.6,-4.84,;13.88,-2.7,;14.04,-1.18,;12.89,-.15,;12.55,-3.47,;11.14,-2.85,;10.11,-3.99,;10.88,-5.33,;12.39,-5.01,;8.58,-3.83,;7.95,-2.43,;6.42,-2.26,;5.52,-3.51,;3.98,-3.35,;3.08,-4.6,;6.14,-4.92,;7.67,-5.08,;18.97,-.65,;19.61,.05,;21.79,-1.82,;22.91,-2.97,;24.46,-2.57,;24.88,-1.02,;23.74,.1,;22.19,-.34,;17.47,2.14,;16.07,2.92,;16.05,4.52,;17.44,5.33,;18.83,4.51,;18.8,2.91,)|
56565 [#6]-c1ccc(-[#7]-[#6](=O)-[#8]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
56566 CC1CCC(CC1)NC(=O)C1N(Cc2cccs2)C(=O)c2ccccc12 |(8.57,6.74,;8.09,5.27,;9.12,4.13,;8.64,2.66,;7.13,2.35,;6.1,3.49,;6.58,4.96,;6.65,.88,;7.68,-.26,;9.19,.05,;7.2,-1.73,;8.1,-2.97,;9.64,-2.97,;10.41,-4.3,;11.95,-4.46,;12.27,-5.97,;10.93,-6.74,;9.79,-5.71,;7.2,-4.21,;7.68,-5.67,;5.75,-3.74,;4.41,-4.51,;3.08,-3.74,;3.08,-2.2,;4.41,-1.43,;5.75,-2.2,)|
56567 COc1cc2[nH]c(=S)n3nc(COc4ccccc4C)nc3c2cc1OC
56568 On1n(nc([N+]([O-])=O)\c1=N/Cc1cccnc1)-c1cccc(Cl)c1
56569 CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=S)Nc1cc(C)ccc1C
56570 [O-][N+](=O)c1cccc(\C=N\c2cc3OCCOc3cc2Br)c1
56571 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NN=Cc2cccnc2)CC1
56572 Cc1cc(C)cc(OP(C)(=O)Nc2ccc(SC(F)(F)F)cc2)c1
56573 CCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1
56574 Clc1ccc(cc1)-c1csc(n1)-c1cc2ccccc2oc1=N
56575 CCOc1ccccc1\C=C(\NC(=O)c1ccccc1)C(=O)NCC(O)=O
56576 O=C(N\C(=C/c1cccc2ccccc12)C(=O)OCc1ccccc1)c1ccccc1
56577 Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c2CCCCc12
56578 CNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N(Cc1ccccc1)Cc1ccccc1)\C#N
56579 Cc1ccc(cc1)S(=O)(=O)NN1C(=S)S\C(=C/c2cccn2C)C1=O
56580 CC(CC(=O)NCCCN1CCOCC1)=NNC(=O)COc1ccc(C)cc1 |w:15.16|
56581 Cc1nn(c(Cl)c1C=NNC(=O)c1ccc(C)nc1)-c1ccccc1
56582 COC(=O)NCC(N1CCN(CC1)c1ccc(F)cc1)c1ccco1
56583 Cc1nn(c(N)c1C(O)(C(F)(F)F)C(F)(F)F)-c1ccccc1
56584 Cc1cc(N=NCc2ccccc2Br)nc2ccccc12 |w:4.3|
56585 COc1ccc(CNC(=O)NC(C)(C)c2cccc(c2)C(C)(C)NC(=O)NCc2ccc(OC)cc2)cc1
56586 FC(F)Oc1ccc(cc1)C(=O)NCc1ccc[n+](CC(=O)Nc2cc(ccc2Cl)C(F)(F)F)c1
56587 CC(C)N1C(=O)N(Cc2ccco2)C(=O)C(=CNc2ccc(Br)cc2)C1=O |w:16.17|
56588 CCN(Cc1ccccc1)c1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
56589 Oc1ccccc1C=NOCC(=O)N1CCc2ccccc12 |w:8.9|
56590 Cc1ccc(NC(=O)CN2C(=O)S\C(=C/C(=O)Nc3ccc(Cl)cc3)C2=O)cc1
56591 NNc1nc2ccc(F)cc2s1
56592 Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1
56593 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1
56594 Cc1ccccc1CN1CCc2c(OCC(=O)N3CCCc4ccccc34)cccc2C1=O
56595 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1N1CCCCC1
56596 Fc1ccc(CNC(=O)c2ccc(cc2)S(=O)(=O)Nc2cccc(c2)C(F)(F)F)cc1
56597 Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1)-c1ccccc1
56598 CN(C)c1ccc(cc1)\N=N\c1ccccc1C(=O)OCC(=O)NCC1CCCCC1
56599 [O-][N+](=O)c1cccc(c1)-c1cc2cccc[n+]2cc1-c1cccc(c1)[N+]([O-])=O
56600 Fc1ccc(CC(=O)NN=Cc2ccncc2)cc1
56601 Fc1ccc(cc1)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccccc1
56602 COc1ccc(C2=NCCn3cccc23)c(OC)c1 |t:6|
56603 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C=Cc1cccc(F)c1 |w:18.18|
56604 CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1CC
56605 CCCc1nc2ccccc2c(C(=O)OCC(=O)N2CCc3ccccc23)c1CC
56606 CNC(=S)NN=C(C)c1ccc(cc1)C(C)(C)C |w:5.4|
56607 FC(F)(F)c1cccc(c1)C(=O)NCc1ccccc1Cl
56608 Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)c(C)n1-c1ccccc1
56609 CC1CCCC(C)N1N=Cc1c[nH]c2ccc(Br)cc12 |w:8.8|
56610 CCN(CC)c1ccc(\C=C(/C#N)C(=O)NCc2ccco2)cc1
56611 Cc1[nH]c2ccccc2c1C(=O)COC(=O)Cn1c(C)nc2ccccc12
56612 Cc1nc2cc3OCOc3cc2c(C)c1C(=O)OCC=C
56613 CC1(C)N(C(=O)COC(=O)c2cc(ccc2N)[N+]([O-])=O)c2ccccc2NC1=O
56614 CN(C1CCCCC1)C(=O)COC(=O)C(\NC(C)=O)=C\c1ccccc1
56615 Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC(F)(F)F
56616 Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc3OCOc3c2)c1Cl
56617 CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)c1C
56618 CCC(C)(C)NC(=O)\C=C\c1ccc(OC)c(c1)S(=O)(=O)N1CCOCC1
56619 Cc1ccc(\C=C\C(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)o1
56620 CCN(CC)S(=O)(=O)c1ccc2n(C)c(CCC(=O)OCC(=O)Nc3ccc(CC)cc3)nc2c1
56621 Cc1ccsc1C(=O)NNC(=O)C1CC=CCC1C(O)=O |c:15|
56622 Cc1occc1C(=O)NNC(=O)c1ccccc1Br
56623 CCCCCC(=O)Nc1ccc2ccccc2c1
56624 N(c1ccccc1)c1cccc(Nc2ccccc2)c1
56625 Clc1ccc2Sc3ccccc3NC(=S)c2c1
56626 CC(=NNC(=S)NCc1ccccc1)c1ccc(Cl)cc1 |w:2.2|
56627 CCOc1ccc(NC(=O)CSC2=NCCN2)cc1 |t:12|
56628 CCCNC(=O)c1cccc(Cn2cc(Br)c(n2)[N+]([O-])=O)c1
56629 CCn1c(n[nH]c1=S)-c1c(Cl)c(C)nn1C |(4.46,-2.73,;5.79,-1.96,;5.79,-.42,;7.04,.49,;6.56,1.95,;5.02,1.95,;4.54,.49,;3.08,.01,;8.5,.01,;8.98,-1.45,;8.07,-2.7,;10.52,-1.45,;11.42,-2.7,;10.99,.01,;9.75,.92,;9.75,2.46,)|
56630 CC1(CC1(Cl)Cl)C(=O)N1CCOCC1
56631 Cc1ccc(NCc2cccnc2)c(Br)c1
56632 Fc1ccc(CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)cc1
56633 CC(C)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1
56634 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)Nc1cn(C)nc1C)(C2)C3 |TLB:5:3:22:6.9.8,THB:2:3:9:1.22.8,5:6:22:3.23.2|
56635 Fc1ccc(cc1)-n1cc(C=O)c2ccccc12
56636 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1cccnc1
56637 CCC=S(C)NS(=O)(=O)c1ccc(C)cc1 |w:2.1|
56638 CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1NC(=O)c1ccc(F)cc1
56639 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(cc1)C(C)=O
56640 [O-][N+](=O)c1ccc(cc1NC1CC1)N1CCCC1
56641 Clc1ccc(NC(=S)NCCN2CCOCC2)cc1
56642 CCOc1ccc(cc1)C(=O)n1cnnc1N
56643 COc1cc(C=C(C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCC#N |w:5.4|
56644 CC(C(O)=O)n1cc(Cl)cn1
56645 Oc1ccc(cc1)C(=O)n1cc(cn1)C(=O)c1ccccc1O
56646 Fc1cccc(Cl)c1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1cn[nH]c1
56647 OCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1
56648 C(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
56649 Clc1ccccc1CN1C(=O)NC(=O)\C(=C/c2cccs2)C1=O
56650 N=C1N2N=CSC2=NC(=O)\C1=C\c1ccc(OC(=O)c2ccco2)cc1 |c:3,7|
56651 CC1CCN(CC1)C1(O)C(=O)Nc2ccc(Br)cc12
56652 O=NC(C#N)c1nc2ccccc2s1
56653 CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2OCOc2c1
56654 CCOC(=O)NC(=O)CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O
56655 C(Sc1ncnc2sccc12)c1ccccc1
56656 Nc1nc(CSC(=S)N2CCCCC2)nc(Nc2ccccc2)n1
56657 COc1ccc(cc1OC)C(=O)Nc1cccc(c1)S(C)(=O)=O
56658 Cc1cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)ccc1Cl
56659 [H]C12CCC3(C)C1(C)CN(NC(=O)c1ccc(Cl)cc1)C3(C2)C#N |TLB:10:9:4:1.21,3:4:1.21:9.8,2:1:4:9.8,THB:8:6:20.21:3.2,5:4:1.21:9.8,7:6:20.21:3.2|
56660 CC(c1ccc(F)cc1)n1c(n[nH]c1=S)-c1cccs1
56661 CCOCCCNC(=S)NCCCNc1nc2c(C)c(C)ccc2cc1C#N
56662 NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
56663 S=C(NCC1CCCO1)Nc1ccc(Nc2ccccc2)cc1
56664 COc1cccc(c1)-c1nn(cc1CN(C)C(C)c1ccon1)-c1ccccc1
56665 COc1ccc(NC(=O)c2cc(ccc2N2CCNCC2)[N+]([O-])=O)cc1
56666 CCCN1CCC(CC1)NCc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
56667 CCc1ccc(cc1)C1N(CCc2c1[nH]c1ccccc21)C(=O)c1cc[n+]([O-])cc1
56668 CC(CNC(=O)CCc1nnc(o1)-c1ccc(C)s1)Oc1cccnc1
56669 COc1ccc(OC)c(Cc2nnc(CCC(=O)N3CCC(CC3)N3CCCCC3)o2)c1
56670 CN(Cc1ccon1)Cc1cn(C)nc1-c1cccc(Cl)c1
56671 CC(C)c1csc(CN2CCC(CO)(Cc3ccccc3)CC2)n1
56672 COc1cccc2c(S)c(CC=C)c(C)nc12
56673 CS(=O)(=O)N1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
56674 CSc1ccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)cc1
56675 O=C(Nc1ccccc1-c1ccccc1)c1cccs1
56676 Cc1cc(\C=C/c2ccccc2)nc2ccccc12
56677 NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|
56678 COc1ccc2cc(C3C(C#N)C(=N)OC(C)=C3C(C)=O)c(Cl)nc2c1 |c:16|
56679 CCCCCc1ccc(OCCCC[n+]2ccc(C)cc2)c(CCCCC)c1
56680 CC(=O)c1ccc(Nc2cc(C)nc3c(C)cc(C)cc23)cc1
56681 COc1ccc(CCCc2n[nH]c(=S)n2C)cc1C
56682 CC1CC(O)(C#CC=C)C(C)CN1C
56683 CC[C@]12C=CCN3CCC4(C(N(C)c5cc(OC)c(Br)cc45)[C@](O)([C@@H]1OC(C)=O)C(=O)OC)C23 |c:3|
56684 COc1cc(C=O)ccc1Oc1nc(Nc2ccc(F)cc2F)nc(n1)N1CCOCC1
56685 COC(=O)c1cccc(c1)N1CCCC1=O
56686 O=C1N(C(=O)c2cccc3cccc1c23)c1ccccn1
56687 Cc1ccc(cc1)-n1c(=O)n(CC(=O)C(C)(C)C)c2ccccc2c1=O
56688 Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NC3CCCC3)n2n1
56689 COc1ccccc1NC(=S)NN=C1CC(C)(C)Oc2ccc(O)cc12 |w:12.12|
56690 COc1cccc(c1)C(=O)Nc1sc2CN(CCc2c1C#N)C(C)=O
56691 OC(=O)c1cc(Sc2ccc(Br)cc2)nc2ccccc12
56692 COc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c1
56693 CCOC(=O)Cn1c2cc(C)cc(C)c2sc1=NC(=O)C1CC1 |w:17.19|
56694 CCN(CC)CCCNC(=O)Cn1cnc2ccc(cc2c1=O)S(=O)(=O)N1CCC(C)CC1
56695 CCc1ccc(NC(=S)N(CC2CCC(CC2)C(O)=O)Cc2cccc(Br)c2)cc1 |(3.08,8.95,;4.41,8.18,;4.41,6.64,;5.75,5.87,;5.75,4.33,;4.41,3.56,;4.41,2.02,;5.75,1.25,;7.08,2.02,;5.75,-.29,;4.41,-1.06,;4.41,-2.6,;3.08,-3.37,;3.08,-4.91,;4.41,-5.68,;5.75,-4.91,;5.75,-3.37,;4.41,-7.22,;3.08,-7.99,;5.75,-7.99,;7.08,-1.06,;8.41,-.29,;8.41,1.25,;9.75,2.02,;11.08,1.25,;11.08,-.29,;12.42,-1.06,;9.75,-1.06,;3.08,4.33,;3.08,5.87,)|
56696 Cc1ccc(C)c(c1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1cccnc1
56697 Cc1ccnc(NC(=O)CCCOc2ccc(Cl)cc2C)c1
56698 Cc1nn(C)c(=S)n1-c1ccc(Cl)cc1
56699 CN(N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O)c1ncc(cc1Cl)C(F)(F)F
56700 CC(=NOC(=O)C1CC1)C1CC1c1ccc(F)cc1 |w:2.2|
56701 Clc1ccc(cc1)-n1cc(COCc2ccccc2)nn1
56702 CCOC(=O)C1C(C1C(=O)Nc1cccc(c1)C(F)(F)F)C(=O)NC(C)C
56703 CCOc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O |w:8.8|
56704 CC(=O)Cc1nsc(NC(=O)c2cccc(F)c2)n1
56705 CCOc1ccc(cc1)N(Cc1ccccc1F)C1=NC2CS(=O)(=O)CC2S1 |t:20|
56706 CC(=NNC(=S)NCc1ccccc1)c1ccc(cc1)C#N |w:2.2|
56707 COc1ccc(cc1OC)-c1cn(-c2ccc(C)cc2C)c(=O)[nH]1
56708 CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ccccc1OC(F)F
56709 [H]C12CCC([H])(C1)C(CC(=O)Nc1nc(cs1)-c1ccccn1)C2 |TLB:8:7:6:3.2|
56710 COc1cc(\C=C\C(=O)OCc2c(C)noc2C)ccc1OC(F)F
56711 CN(CC(=O)Nc1ccc2CCCc2c1)Cc1ccc(C)cc1
56712 CN1CCN(CC1)C(=O)c1ccc(cc1)C(F)(F)F
56713 [O-][N+](=O)c1cccc2C(=O)N(CCC(=O)OCC(=O)NCc3ccccc3)C(=O)c12
56714 Nc1ccncc1Cl
56715 CC(C)NC(=O)NC(=O)CSc1nc(C)c(C)c(C)n1
56716 COc1ccc(Nc2nc(c(s2)C(=O)Nc2cccnc2)-c2ccccc2)cc1
56717 COc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
56718 FC(F)Sc1ccc(NC(=O)c2ccccc2F)cc1
56719 CC1CN(CC(O)COC2CCC(CC2)C(C)(C)C)CC(C)O1 |(6.16,.83,;4.83,1.6,;4.83,3.14,;3.49,3.91,;3.49,5.45,;4.83,6.22,;6.16,5.45,;4.83,7.76,;6.16,8.53,;6.16,10.07,;7.5,10.84,;7.5,12.38,;6.16,13.15,;4.83,12.38,;4.83,10.84,;6.16,14.69,;6.16,16.23,;7.7,14.69,;4.62,14.69,;2.16,3.14,;2.16,1.6,;.83,.83,;3.49,.83,)|
56720 CCOC(=O)C(=NNc1cccc(c1)C(F)(F)F)N1CCOCC1 |w:6.6|
56721 [O-][N+](=O)c1ccc(C(=O)NCCc2ccc3OCCOc3c2)c(Cl)c1
56722 CCNc1ccc(cc1[N+]([O-])=O)C(=O)OC(C(C)C)C(=O)NC(N)=O
56723 CCOC(=O)C1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)C2CCCCC2C1=O |c:8,17|
56724 CC(Sc1nnc(o1)-c1ccco1)C(=O)NCCC1=CCCCC1 |t:20|
56725 CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C)s2)c1C
56726 COCCCn1cn[nH]c1=S
56727 COc1ccc(cc1)S(=O)(=O)NC(CCSC)C(=O)NC1CCCCC1
56728 COc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |t:23|
56729 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1CCc1ccc(F)cc1
56730 Cc1ccc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c2c1
56731 CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(\C=C\C(O)=O)cc2)cc1
56732 CCC1CCCCN1C(=S)Nc1cccc(c1)S(=O)(=O)N(C)C
56733 Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccn1
56734 CCc1ccc(cc1)N(C(C)=O)c1nc(CCl)cs1
56735 COc1cc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc(OC)c1OC
56736 COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(C)cc1
56737 CC(NC(=O)c1ccco1)C(=O)OC(C)C(=O)NCc1ccccc1
56738 CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(=O)[nH]c2ccccc12
56739 COc1ccc(\C=C\C(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)cc1OC
56740 OC(=O)\C=C\C(=O)N1CCN(CC1)S(=O)(=O)c1cc(ccc1Cl)C(F)(F)F
56741 NC(=O)COC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
56742 COc1ccc(-c2nnc(NC(=O)Cc3ccccc3)s2)c(OC)c1
56743 O=C(NCc1cccnc1)C(=O)C1C(=O)Nc2ccccc12
56744 CCCCc1nnc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)s1
56745 ClCC(=O)Nc1ccccc1C(=O)Nc1ccc2OCOc2c1
56746 Nc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)[nH]1
56747 CCN(CC)CCCNCC(=O)Nc1ccc(OC)c(Cl)c1
56748 CN(C)c1ccc(C=NNC(=O)CCCCCNC(=O)c2ccccc2)cc1
56749 Nc1nnc(o1)-c1cccc(c1)[N+]([O-])=O
56750 O=c1[nH]c2ccccc2nc1-c1ccccc1
56751 Cc1c(nc(N)c(C#N)c1-c1cccnc1)-c1ccc(F)cc1
56752 [O-][N+](=O)c1ccc(cc1)N1CCCCC1
56753 OCc1nc2ccccc2n1N=Cc1cccs1
56754 CCCCCCCCNC1=CC(=O)CC(C)(C)C1 |t:9|
56755 Oc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
56756 COc1ccc(cc1OC)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
56757 CC1CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23
56758 COc1cccc(c1)-n1c(O)cc(NNc2nc3ccccc3s2)c1O
56759 CC1(C)CC(=O)C=C(C1)NNC(=O)c1cccnc1 |c:6|
56760 COc1ccc(cc1OC)C(=O)CC=NCc1ccc(F)cc1 |w:14.15|
56761 COc1ccc(cc1)N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCO1
56762 COc1ccc(Br)cc1C=NNC(=O)CN1CCN(Cc2ccccc2)CC1
56763 [#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](\C#N)C#N)-[#6]=[#6]-1 |c:4,14|
56764 [#6]-[#6]-[#8]-[#6](=O)-c1ccc(-[#7]\[#6](=[#6]-2/[#6](=O)-[#7](-[#6])-[#6](=O)-[#7](-[#6])-[#6]-2=O)-c2ccccc2)cc1
56765 COc1cc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc(OC)c1OC |w:6.6|
56766 CNC(=O)C(=C\c1cc(C)n(c1C)-c1ccc(cc1)N1CCOCC1)\C#N
56767 Clc1ccc(cc1)C1CSc2n1cnc1ncnc21
56768 Cc1ccc(C)c(NC(=S)NCCc2c[nH]c3ccccc23)c1
56769 NC(=O)Cc1ccc2c(c1)[nH]c1ccccc21
56770 CSc1ccc(NC(=O)Nc2ccc(cc2)C(=O)NCC(O)=O)cc1
56771 null
56772 CCOC(=O)C1(C)CC(=Nc2cccc(OC)c2)C(=O)N1c1ccccc1 |w:9.9|
56773 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccco2)c1
56774 CCN(CC)C(=N)C(=NNc1ccc(C)cc1)C#N |w:8.8|
56775 CC(=NNC(=O)CNC(=O)Cc1ccccc1)c1ccc(Cl)cc1 |w:2.2|
56776 CCCSc1nnc(NC(=O)Nc2ccc(C)cc2)s1
56777 Cc1cc([nH]n1)C(=O)NN=Cc1c(C)nn(c1C)-c1ccccc1 |w:9.9|
56778 OC(=O)c1ccccc1C=NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl
56779 Clc1ccc(nn1)-c1ccccc1
56780 CC(C)(C)c1ccc(cc1)C(=O)Cn1nc(C(O)=O)c2ccccc2c1=O
56781 NC(=O)c1ccc(NC(=O)COC(=O)\C=C\c2ccc3OCOc3c2)cc1
56782 Fc1ccc(OCC(=O)N2CC(=O)Nc3ccccc23)c(Cl)c1
56783 Cc1sc2ncnc(OCC(=O)NC3CCS(=O)(=O)C3)c2c1C
56784 COCCn1c(N)c(C(=S)NC(=O)c2cccs2)c(=O)[nH]c1=O
56785 CNC(=O)COC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
56786 O=C(CSc1nccc(=O)[nH]1)c1cc2ccccc2o1
56787 COC(=O)c1ccc(NC(=O)CC2N(Cc3ccc(cc3)S(N)(=O)=O)C(=S)N(C)C2=O)cc1
56788 Oc1cccc(NC2=NC(=O)C(S2)=Cc2cccnc2)c1 |w:13.14,t:7|
56789 C[C@H](N)C(=O)NN=Cc1c(C)[nH]c(=O)[nH]c1=O |w:6.5|
56790 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cccc3cc[nH]c23)c1
56791 O=c1[n-]c(c(C=NNC(=S)Nc2ccccc2)s1)-[n+]1ccccc1 |w:6.6|
56792 Cc1ccccc1NNC(=O)C(=O)NNc1ccccc1C
56793 CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1[N+]([O-])=O
56794 CC1CC(=O)Nc2ccccc2N1C(=O)Nc1ccc(F)cc1
56795 CCCCNC(=O)Nc1ccc(cc1)C1SCCS1
56796 Clc1ccc(Cl)c(NNC(=O)c2cccs2)c1
56797 Cc1nc(SCC(=O)c2ccccc2)[nH]c(=O)c1Oc1ccc(Cl)cc1
56798 CC(C)(CO)NC(=S)NCc1ccco1
56799 Cc1ccsc1CNC(=O)c1c(C)onc1-c1ccccc1
56800 Clc1ccc(cc1)S(=O)(=O)CCNCc1cccs1
56801 CCOC(=O)CC1Sc2ccccc2NC1=S
56802 Cc1cc2c(NC(=O)Nc3ccccc3)cccc2nn1
56803 COC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2Cl)c1
56804 Cc1ccccc1-n1cc(nc1SCC(N)=O)-c1ccc(Br)cc1
56805 Cn1c(CSCCOc2ccccc2)n[nH]c1=S
56806 OC[C@@H]1[C@H](C[C@H]2OC(=O)C[C@@H]12)OC(=O)c1ccc(cc1)-c1ccccc1
56807 CC(=O)N1CCC(CC1)c1[nH][nH]c(=O)c1N=Nc1ccc(F)cc1F |w:15.16|
56808 CNC(=S)Nc1cccc(c1)C(=O)OC
56809 COC(=O)c1cccc(NC(=O)NC(=O)c2ccc(Cl)cc2)c1
56810 Clc1ccc(cc1)S(=O)(=O)CC(N1CCCCC1)c1ccccc1
56811 Clc1ccc(NC(=O)Nc2ccc(Oc3cccnc3)nc2)cc1
56812 Cc1cc(no1)-c1nc(cs1)-c1ccc(C)cc1
56813 CC(C)N(C(C)C)C(=O)c1ccc(cc1)-c1ccccc1F
56814 Cc1cc(no1)C(N)=NOC(=O)c1ccc(Cl)cc1 |w:8.9|
56815 CC(CC(O)=O)CC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
56816 Cc1ncn2cc([nH]c(=O)c12)-c1ccc(Cl)cc1Cl
56817 Cc1onc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1Br
56818 COc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1OC
56819 CNC(=O)NNC(=O)c1nc(c(C)o1)-c1ccccc1
56820 NC(=NOC(=O)c1cccc(Cn2cc(ccc2=O)C(F)(F)F)c1)c1ccc(Cl)cc1 |w:2.2|
56821 CCOC(=O)CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(sc1C(F)(F)F)C(=O)OC
56822 Cc1cc(=O)oc2cc(NC(=O)CC3(CC(O)=O)CCCC3)ccc12
56823 COC(C\C=C\[C@@H](O)COCc1ccccc1)OC
56824 COc1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:19|
56825 CCOc1ccc(OCC)c(NC(=O)C2CCN(CC2)c2ncccn2)c1
56826 FC(F)C(F)(F)COP(=O)(N1CCOCC1)N1CCOCC1
56827 CCOc1ccccc1C(=O)Nc1nccs1
56828 Cc1onc(c1C(=O)Nn1cnnc1)-c1c(Cl)cccc1Cl |(9.22,4.12,;10.12,2.87,;11.66,2.87,;12.14,1.41,;10.89,.5,;9.65,1.41,;8.18,.93,;7.15,-.21,;7.04,1.96,;5.57,1.49,;4.33,2.39,;3.08,1.49,;3.56,.02,;5.1,.02,;10.89,-1.04,;9.56,-1.81,;8.02,-1.81,;9.56,-3.35,;10.89,-4.12,;12.23,-3.35,;12.23,-1.81,;13.56,-1.04,)|
56829 CN1CCN(CC1)C1=C(Cl)C(=O)N(Cc2ccccc2)C1=O |c:8|
56830 Oc1ccc(NS(=O)(=O)c2ccccc2)cc1CN1CCCCC1
56831 CC1CC(C)=CC(C)C1(COC(N)=O)COC(N)=O |c:4|
56832 Cc1[nH]nc2CCCC(=O)c12
56833 CN1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(Br)cc1
56835 COC(=O)c1nc(N)sc1-c1ccccc1
56836 CC(=O)Nn1c(cc2ccccc12)-c1ccccc1
56837 Cc1cc(C)n(n1)-c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1
56838 CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)n(C)c3cccc(C)c23)CC1
56839 O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nccs1 |c:8|
56840 CCC1(C)Nc2ccccc2C(=O)N1O
56841 CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=c1sc2ccccc2n1C |w:18.18|
56842 O=C(CSc1nnc(Cc2ccccc2)o1)N1CCc2ccccc12
56843 COCCn1c2ccc(F)cc2sc1=NC(=O)CSC(C)=O |w:14.16|
56844 COC(=O)COc1ccc(cc1C)S(=O)(=O)NCCC1=CCCCC1 |t:20|
56845 Cc1ccc(cc1)C(=C/c1cn(C)c2ccccc12)\C#N
56846 O=c1[nH]c(nc2CCCc12)N1CCN(Cc2ccc3OCOc3c2)CC1
56847 Cc1cc(cs1)C(=O)Nc1cccnc1
56848 COc1ccc(cc1)-c1nc(C#N)c(NCC=C)o1
56849 Cc1ccc(cc1)C(=O)COc1cccc(NC(=O)c2ccco2)c1
56850 CCC(CC)c1nnc(NS(=O)(=O)Cc2ccccc2)s1
56851 O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
56852 O=C(Nc1ccc(cc1)-c1nc2ccccc2o1)c1ccc2OCOc2c1
56853 O=C(CSc1ncn(n1)-c1ccccc1)c1cccs1
56854 OC(COc1ccc2CCCc2c1)Cn1cnc2ccccc12
56855 CCOC(=O)c1c(NS(C)(=O)=O)sc2CC(C)CCc12
56856 CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(OC)cc1
56857 O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1ccco1)Nc1nccs1
56858 Cc1ccccc1NC(=O)NCC1CCCO1
56859 CCOC(=O)C(NC(C)=O)(Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1)C(F)(F)F
56860 Oc1c(ccc2oc(cc(=O)c12)-c1ccccc1Cl)[N+]([O-])=O
56861 FC(F)(F)c1nnc2ccc(nn12)N1CCCC1
56862 CCC(=O)Nc1nc(=S)ss1
56863 COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)Nc1ccccc1C(F)(F)F
56864 CCCCC(Nc1ncnc2ccccc12)C(O)=O
56865 CCCOc1ccccc1N=C(NC(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1 |w:10.10|
56866 CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
56867 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(=S)NCCCC |TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
56880 COC(=O)CSc1nnc(-c2cnccn2)n1C
56881 O=C(CN1CCc2ccccc2C1)Nc1ccccc1N1CCCCCC1
56882 O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1
56883 Cc1cc2-c3ccccc3NC(c3c[nH]c4ccccc34)n2n1
56884 CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(CC)c2n1
56885 CCOc1ccc2n(C)c3nc(SCC(=O)N4CCC(C)CC4)nnc3c2c1
56886 O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccco1
56887 CCCCn1c(SCC(=O)c2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
56888 Cc1nn(c(Cl)c1C1C(C#N)C(=N)OC2=C1C(=O)CCC2)-c1ccccc1 |c:15|
56889 Clc1cccc(Cl)c1C1C(C#N)C(=N)SC(=N)C1C#N
56890 Cc1nn(c(Cl)c1C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2)-c1ccccc1 |c:15|
56891 Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(c1)C(F)(F)F
56892 Oc1cc2ccccc2cc1-c1nnc(S)o1
56893 COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC
56894 COc1ccccc1OCCCn1c(C)c(C#N)c2ccccc12
56895 Cc1cccc(N2CCN(CC2)C(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccco2)c1C
56896 Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c3nnnn3c2c1C
56897 COc1ccc(cc1)-n1nc2cc(C)c(NC(=O)C(C)C)cc2n1
56898 CC(C)(C)CC(=O)N1CCC(CC1)c1nc2n(Cc3c(F)cccc3Cl)nnc2c(=O)[nH]1
56899 Cc1ccc(cc1C)-c1cnc(N)n1C
56900 O=c1cc([nH]n1-c1nc2ccccc2s1)-c1ccccc1
56901 Fc1cccc(Cl)c1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)C1CCCCC1
56902 CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nc2nc(C)cs2)c1=O
56903 COc1cc(OC)cc(c1)-c1cc2nc3CCCCc3c(N3CCN(CC3)c3ncccn3)n2n1
56904 CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2CCCc3cccc(c23)c1=O
56905 C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O
56906 Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12
56907 Cn1c(Oc2ccccc2NCc2cc(Br)ccc2O)cc(=O)n(C)c1=O
56908 CCCCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
56909 CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1C
56910 CCCCCCC(N=O)c1ccccn1
56911 Cn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O
56912 COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
56913 CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc21
56914 Cc1cc(Oc2ccc(cc2)-c2ccccc2)nc(n1)N1CCOCC1
56915 COC(=O)c1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1
56916 COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1-c1ccco1
56917 Nc1nc2ccccc2n1N=Cc1ccc(o1)-c1ccccc1
56918 COc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCC(C)Cc3s2)CC1
56919 CCCCN1C(=O)NC(=O)C(=C(CC)Nc2ccc3CCCc3c2)C1=O |w:11.13|
56920 CCCCN1C(=O)NC(=O)C(=C(C)Nc2ccc(OCC)cc2)C1=O |w:11.11|
56921 CCOC(=O)c1cnc(nc1N(CC)CC)-n1nc(C)cc1C
56922 CCOC(=O)c1cnc(nc1Nc1ccccc1OCC)-n1cc(C)cn1
56923 CCN(CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.10|
56924 CCOC(=O)c1cnc(nc1NCc1ccccc1)-n1nc(C)cc1C
56925 Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1ccccc1
56926 null
56927 CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1
56928 CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCC)cc2O)cc1
56929 CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2O)cc1
56930 Clc1ccccc1COc1ccc(cc1)-c1nc(C#N)c(NCCCn2ccnc2)o1
56931 CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1
56932 CC(=C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
56933 CCn1nc(NC(=O)c2ccncc2)c2cc3cc(C)ccc3nc12
56934 COc1ccc(Oc2cnc(N)nc2-c2ccc(OCC(C)=C)cc2O)cc1
56935 COc1ccc(cc1)C1CC(=O)c2cnc(nc2C1)N1CCN(Cc2ccccc2)CC1
56936 Cc1nn2c(cc(nc2c1-c1ccccc1)C(C)(C)C)N1CCN(CC1)C(=O)c1ccco1
56937 COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1
56938 Cc1cccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccccc3F)n2)c1
56939 COc1ccc(Cn2c(nc3oc4ccccc4c(=O)c3c2=O)-c2ccco2)cc1
56940 COc1ccc2c(c1)[nH]c1c2ncn(CCc2cnc[nH]2)c1=O
56941 Cc1cccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(F)cc3)n2)c1
56942 Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccccc3)n2)cc1Cl
56943 Nc1nc(CN2CCN(CC2)c2ccc(F)cc2)nc(n1)N1CCCc2ccccc12
56944 COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)nc2n(nc(C)c12)-c1ccc(C)c(C)c1
56945 Oc1ccccc1-c1n[nH]c2C(=O)N(Cc3ccco3)C(c12)c1cccc(Cl)c1
56946 Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(C)n1
56947 CCSc1nnc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)s1
56948 CC(C)c1cc2c(CC(=O)NC3=NCCS3)coc2cc1C |t:11|
56949 CC(C)c1oc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1O
56950 CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc2OCCOc2c1
56951 Cc1noc(C)c1CSc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
56952 CCOC(=O)c1sc2ncnc(NCC(N(C)C)c3cccs3)c2c1C
56953 Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)c1C
56954 O=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1
56955 CCCn1c(NC(=O)c2ccccc2)nc2ccccc12
56956 Cc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1
56957 N(c1nc2ccccc2[nH]1)c1ccccn1
56958 Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCCC1
56959 Cc1cc(Oc2ccc(Cl)cc2)nc(n1)-c1ccccc1O
56960 Cc1cc(NC(=O)CC2CCCC2)n(n1)-c1nc2ccccc2[nH]1
56961 CCn1cnc2n(Cc3ccccc3)c(=O)n(CC(=O)Nc3cc(C)on3)c(=O)c12
56962 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)N1CCN(CC1)c1cccc(C)c1C |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
56963 O=C(Nc1nnc(s1)C1CC1)c1cc(nn1-c1ccccc1)-c1ccccc1
56964 Cc1sc2ncnc(SCc3nnc(o3)-c3ccccc3)c2c1C
56965 Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12
56966 C(Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12)c1ccc2OCOc2c1
56967 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)C(C#N)c1nc2ccccc2[nH]1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
56968 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCc2ccccc2C1
56969 CC1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
56970 OC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(Cl)c1
56971 Cc1cc(nc2ccc(NC(=O)c3ccc4OCOc4c3)cc12)N1CCN(CC1)c1ncccn1
56972 Fc1ccc(cc1)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
56973 CCOC(=O)c1sc2ncnc(N3CCN(CC3)c3ccc(OC)cc3)c2c1C
56974 CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12
56975 CCN(CC)C(=O)c1cc(on1)-c1ccc(Br)cc1
56976 CC1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
56977 Cc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
56978 CCOC(=O)c1cccnc1SCC(=O)NC(C)CC
56979 S=c1[nH]c2ccccc2c2nc(nn12)-c1ccccc1
56980 CC(C)c1ccc(cc1)-c1nc(nc2n[nH]c(N)c12)N1CCCC1
56981 CN(c1ccccc1)c1nc(nc(n1)-n1ccnc1)N1CCCC1
56982 Cc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1
56983 CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(C)o1
56984 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cn(C)c(=O)c2n(C)c3ccccc3c12
56985 C1CCN(C1)c1nc(nc(n1)-n1ccnc1)N(c1ccccc1)c1ccccc1
56986 CC1CN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2CCCc2ccccc2)CC(C)O1
56987 COc1cccc(c1)-n1nnc2c1ncn(Cc1ccccc1Cl)c2=O
56988 COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)Nc1ccc2OCCOc2c1
56989 COc1ccc(cc1OC)C(=O)Nc1nnc(o1)-c1ccccc1
56990 CC1CCN(CC1)c1nc(cc(n1)-c1ccc(C)cc1)C(F)F
56991 Oc1cc(=O)[nH]c(SCc2ccc(Cl)cc2)n1
56992 CCOC(=O)c1nnn(c1CN1CCC(C)CC1)-c1nonc1-n1cccc1
56993 Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)cc1
56994 FC(F)Oc1ccccc1C1CC(Nc2ncnn12)c1ccc(Br)s1
56995 CCc1nc2n(ncc2c(=O)n1-c1ccc(OC)cc1)-c1ccc(Cl)cc1
56996 C1CCCN(CC1)c1nc(nc(n1)-n1ccnc1)-c1ccccc1
56997 Cc1cccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccc3OCOc3c2)c1
56998 COc1cccc(c1)-c1cc(nc(n1)N1CCC(C)CC1)C(F)(F)F
56999 Fc1cccc2sc(Nc3nnc(o3)-c3ccco3)nc12
57000 FC(F)(F)c1cc(nc(n1)N1CCCCCC1)-c1ccccc1
57001 CCOc1ccc(cc1)-c1nc2SCCCn2c(=O)c1C#N
57002 O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
57003 Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCCC1
57004 COc1ccc(cc1F)C(=O)c1ccc(cc1)N1CCN(CC1)C1CC(=O)NC1=O
57005 CC(C)c1nc(N2CCCC2)c(C#N)c2CCCCc12
57006 CC1CC(C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1
57007 COc1cccc(c1)-c1nn(cc1C(=O)Nc1nccs1)-c1ccccc1
57008 CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1
57009 O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
57010 Cc1cc2c(nc(SCC(=O)N3CCCc4ccccc34)n(Cc3ccco3)c2=O)s1
57011 CC(=O)Oc1ccc(cc1)-c1nc(no1)-c1cccnc1
57012 Cc1nc(Nc2nc(cc(=O)[nH]2)-c2ccccc2)nc2ccccc12
57013 CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21
57014 Oc1c(oc2ccccc2c1=O)-c1cccs1
57015 Clc1ccc2[nH]c(=O)c(N3CCN(CC3)c3ccccn3)c(-c3ccccc3)c2c1
57016 Cc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)c1
57017 CC1(C)CN=C(Nc2nc3ccccc3s2)S1 |t:4|
57018 Clc1cccc(NC(=O)c2ccc3OCCOc3c2)c1N1CCCCC1
57019 O=C(Nc1ccccc1N1CCCC1)c1ccc2OCOc2c1
57020 CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)c(Br)c3C)cc12
57021 COc1ccc2nc(sc2c1)-n1c(C)ccc1C
57022 Oc1c(C(=O)CC2CCCCC2)c(=O)oc2ccccc12
57023 Cc1ccnn2c(-c3ccccc3)c3c(n(C)c(=O)n(C)c3=O)c12
57024 COc1ccc(cc1NC(=O)c1cccnc1)-c1nc2cc(ccc2o1)C(C)C
57025 CN(c1nc(cs1)-c1sc(N)nc1C)c1ccc(O)cc1
57026 Oc1cc(Cc2ccccc2)c(O)n1-c1nc2ccccc2n1CC=C |(10.07,1.41,;10.55,-.06,;12.01,-.53,;12.01,-2.07,;13.26,-2.98,;14.67,-2.35,;14.83,-.82,;16.23,-.19,;17.48,-1.1,;17.32,-2.63,;15.91,-3.26,;10.55,-2.55,;10.07,-4.01,;9.64,-1.3,;8.1,-1.3,;7.2,-2.54,;5.75,-2.07,;4.41,-2.84,;3.08,-2.07,;3.08,-.53,;4.41,.24,;5.75,-.53,;7.2,-.06,;7.68,1.4,;6.65,2.55,;7.13,4.01,)|
57027 Clc1cccc(NC(=O)c2cc3ccccc3o2)c1N1CCCC1
57028 Cc1ccc(cc1Cl)C(=O)N1CCOCC1
57029 Brc1ccc(s1)C(=O)Nc1nnc(s1)C1CCCCC1
57030 Clc1cccc(Nc2ncnc3n(ncc23)-c2ccccc2)c1
57031 Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
57032 O=C(Nc1nc(cs1)-c1ccccn1)C1CC1
57033 CCC(CO)Nc1ncnc2n(ncc12)-c1ccc(OC)cc1
57034 COc1cccc(c1)C(=O)Nc1nnc(o1)-c1cccs1
57035 CC1CCN(CC1)c1cc(C)nc(n1)-n1nc(C)cc1C
57036 COc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
57037 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCC1=CCCCC1)c2=O |t:27|
57038 Cc1cc(NC(=O)c2cnccn2)no1
57039 CCNc1nc(NCC)nc(n1)-n1nc(C)cc1C
57040 COc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1
57041 CC(C)(C)c1ccc(OCC(O)CS(=O)(=O)c2ccccn2)cc1
57042 Cn1c(n[nH]c1=S)-c1cc(Br)ccc1O
57043 Oc1ccc(Cl)cc1C(=O)CC(=O)c1ccccc1
57044 CCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
57045 [O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1
57046 CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O |c:21|
57047 CN(C)C(N)=NC(N)=N |w:5.5|
57048 [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8-])=O
57049 Clc1ccc(cc1)N1COC2C1c1cccc3cccc2c13
57050 CCc1ccc(cc1)C1C2CC(CC=C2C(C#N)(C#N)C(=N)C1C#N)C(C)(C)C |c:14|
57051 CC1=NN([C@@H](S1)c1ccc(C)cc1)C(Nc1nnc(C)s1)=Nc1ccc(cc1)C(C)(C)C |w:21.24,t:1|
57052 CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2CC(O)CCl
57053 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
57054 Cc1cc2CSC(SCc2cc1C)c1c(O)ccc2ccccc12
57055 Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1cccc(Br)c1
57056 Oc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(O)cc1
57057 O=C(Cc1cccs1)NNC(=S)NC(=O)\C=C\c1ccccc1
57058 CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(=O)c3ccco3)c21)C1CC1
57059 OC(COc1ccccc1)C\N=c1/sc2ccccc2n1CC(O)COc1ccccc1
57060 O=c1[nH]c2cc3OCOc3cc2cc1CN(CCc1ccccc1)Cc1nnnn1CC1CCCO1
57061 CCCC(=O)NCCc1ccc(F)cc1
57062 Cc1cc(C)n(n1)-c1nc(Nc2ccccc2C)nc(n1)-n1nc(C)cc1C
57063 CC(C)C1C(N(C)C(CC1(O)c1ccccc1)c1ccccc1)c1ccccc1
57064 [O-][N+](=O)c1ccc(Cl)cc1Sc1nc2ccccc2o1
57065 COc1cccc(C=Nn2c(N)nc3ccccc23)c1OC
57066 CCOc1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
57067 CCCc1sc(N=NCc2ccccn2)nc1-c1ccc(F)cc1 |w:6.5|
57068 CCCc1sc(N=NCc2ccccn2)nc1-c1ccc(Br)cc1 |w:6.5|
57069 O=C(NC(=S)NNC(=O)c1ccco1)\C=C\c1ccccc1
57070 Cc1cc(C)n(n1)-c1nc(Nc2ccccc2C(F)(F)F)nc(n1)-n1nc(C)cc1C
57071 COC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC=C)cc1
57072 CC(C)(C)c1ccc(CN(Cc2ccco2)Cc2nnnn2C2CCCC2)cc1
57073 CCc1c(C)nc2cc(nn2c1N1CCC(C)CC1)-c1ccc(OC)c(OC)c1
57074 CCOc1ccc2nc(NC(=O)CN3CCC(CC3)n3nnc4cc(ccc34)C(F)(F)F)sc2c1
57075 C1CCN(CC1)c1nc(Nc2ccccc2)nc(n1)N1CCCCC1
57076 CCC1CCCCN1c1cc(C)nc2cc(nn12)-c1cccc(C)c1
57077 c1[nH]c2ccccc2c1-c1c2ccccc2nc2ccccc12 |(8.42,1.48,;7.95,2.94,;6.42,2.94,;5.4,4.09,;3.89,3.77,;3.41,2.31,;4.44,1.16,;5.95,1.48,;7.19,.58,;7.19,-.96,;8.52,-1.73,;9.9,-.9,;11.29,-1.7,;11.29,-3.3,;9.9,-4.09,;8.52,-3.27,;7.19,-4.04,;5.85,-3.27,;4.48,-4.09,;3.08,-3.3,;3.08,-1.7,;4.48,-.9,;5.85,-1.73,)|
57078 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1c(C)cc(C)cc1C |w:10.10|
57079 Cc1ccc(o1)C(=O)Nc1ncc(Cc2cccc(C)c2)s1
57080 Cc1c(C#N)c2[nH]c(N)c(C#N)c(=C)c2c1=Cc1ccc(C)cc1 |w:16.18|
57081 CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Sc2cc(F)ccc12 |t:8|
57082 Brc1ccc(cc1)C(=O)C1=C(CCc2ccccc12)N1CCCC1 |t:10|
57083 Cc1ccc(C=NNC(=O)C2=NNC(C2)(c2ccccc2)c2ccccc2)c(O)c1 |w:6.6,t:10|
57084 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NS(=O)(=O)c1ccc(NC(=O)c2c(Br)c(C)nn2C)cc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
57085 COC(=O)[C@@H]1[C@@H](C#N)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
57086 Cc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1
57087 CC(C)OC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2CCCCc12
57088 [O-][N+](=O)c1cc(C(=O)N\[NH+]=C\c2ccc[c-](CC=C)c2=O)n(Cc2ccccc2)n1
57089 CC(=O)c1cccc2C(=O)C(Nc12)=C1Nc2ccccc2C1=O |w:10.10|
57090 O=C1c2ccccc2CC1(Cc1ccccc1)Cc1ccccc1
57091 CC(C)c1cc(C)cc(Oc2cnn(c(=O)c2Cl)C(C)(C)C)c1
57092 Cc1ccc(Nc2nc3ccccc3[nH]2)nc1
57093 CC(C)C1OC2C(N1c1ccccc1)c1cccc3cccc2c13
57094 Cc1ccc(cc1)-n1c(=O)c2[nH][nH]n(CC(=O)N3N=C(CC3c3ccccc3)c3cccc4ccccc34)c2c1=O |c:19|
57095 COc1ccccc1CNC(=O)c1ccc(o1)-c1ccccc1Cl
57096 Clc1ccc(Cn2nc-3c(CCc4ccccc-34)cc2=O)c(Cl)c1
57097 Cn1nc(c(CSc2cccc(Cl)c2)c1Cl)-c1ccccc1
57098 Cc1ccc(C=CC2=NN(Cc3ccc(Cl)c(Cl)c3)C(=O)CC2)cc1 |w:6.6,t:7|
57099 CCOC(=O)c1sc2nccc(N(C)C)c2c1NC=NOCc1c(F)cccc1Cl |w:19.21|
57100 CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
57101 CSc1nc2nccc(-c3ccc(cc3)-c3ccccc3)n2n1
57102 C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
57103 Clc1ccc(cc1)C(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(n1)-c1ccccc1
57104 CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
57105 OCCNc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CC1CCCCC1
57106 OC(C(=O)NNc1ccccc1Br)(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
57107 OC(C(=O)NNc1ccccc1Cl)(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
57108 FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
57109 [O-][N+](=O)c1cccnc1N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
57110 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)c1ncccc1[N+]([O-])=O
57111 CC(C)(C)c1ccc(Oc2cccc(c2)C2CC(=O)C(C3NCCc4ccccc34)C(=O)C2n2cncn2)cc1
57112 Clc1ccc(cc1Cl)-c1n[nH]c2CCCc12
57113 Cc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1
57114 Cc1cc(=O)c(cn1Nc1ccc(Cl)cc1)C(O)=O
57115 O=C1O\C(=C/c2ccccc2)C(=C1C#N)c1ccccc1 |c:12|
57116 CC(C)(C)C1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:7|
57117 Clc1cc(NC(=O)c2cccnc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
57118 Oc1c(CN2CCN(CC2)c2ccc(F)cc2)cc(Cl)c2cccnc12
57119 CCC(C)Sc1nc(O)cc(=O)n1CC=C
57120 Cc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2o1
57121 CC(=C)C1Cc2c(C)nn(c2C1)-c1cccc2ccccc12
57122 Clc1cc(Cl)cc(NC(=O)Nc2ccccc2)c1
57123 CC(=O)C(Nc1ccc(Cl)cc1Cl)=NNc1cccc(Cl)c1 |w:13.14|
57124 Cc1c(NCc2cc(Cl)cc(Cl)c2O)c(=O)n(-c2ccccc2)n1C
57125 CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
57126 Cc1n[nH]c(C)c1CCCOc1ccccc1
57127 Cc1nn(CC(O)CN2c3ccccc3Sc3ccccc23)c(C)c1Br
57128 COc1ccc(cc1)-c1noc(n1)-c1ccccc1-c1ccccc1
57129 [O-][N+](=O)c1cc(ccc1Sc1nc2ccccc2[nH]1)S(=O)(=O)C(F)(F)F
57130 COc1ccc(cc1OC)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
57131 COc1cc2c(C(=O)N3CCN(CC3)c3ccccc3C)c(C)oc2cc1Br
57132 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1
57133 Clc1ccc(-c2n[nH]c3CCCc23)c(Cl)c1
57134 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1c(=O)[nH]c2ccsc2c1=O |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
57135 [O-][N+](=O)c1cccnc1N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
57136 COc1ccc(NC(=S)NC(NC(=O)c2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
57137 Cc1nc2c(cnn2c(C)c1Cc1ccc(F)cc1Cl)C(=O)NCc1ccc2OCOc2c1
57138 CC(C)CN1C(n2oc(=O)n(-c3ccc(Cl)cc3)c2=O)C(C)(C)SC1=S
57139 [O-][N+](=O)\C=C\c1c(OCc2ccccc2)ccc2ccccc12
57140 Nc1nc(CN2CCC(Cc3ccccc3)CC2)nc(Nc2ccccc2)n1
57141 CC(C)COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nccs1)-c1ccccc1
57142 [H]C12CC3([H])CC([H])(C1)C(C(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)C([H])(C2)C3 |TLB:10:9:5:1.8.2,THB:10:9:3.34.5:1.33.8,33:31:5:1.8.2,33:1:31.9.34:5,2:1:9:3.34.5,(1.92,.06,;2.25,1.56,;.74,1.49,;2.03,2.23,;3.04,1.07,;2.03,3.72,;3.32,4.46,;3.32,6,;2.25,3.17,;4.61,3.72,;5.69,4.81,;5.3,6.3,;7.18,4.41,;8.27,5.5,;9.76,5.1,;10.85,6.19,;12.37,5.95,;13.07,7.32,;11.98,8.41,;12.22,9.93,;13.66,10.48,;14.85,9.51,;13.9,12,;15.34,12.56,;15.58,14.08,;14.38,15.05,;14.62,16.57,;12.94,14.49,;12.7,12.97,;10.61,7.71,;9.23,8.41,;4.61,2.23,;6.08,1.78,;3.65,.83,;3.32,1.77,)|
57143 Cc1ccc(cc1)C1CC(=NN1C(=O)c1ccc(Br)o1)c1cccs1 |c:10|
57144 CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(=O)NC1=NCCS1 |t:19,TLB:13:10:2:6.8.5,13:10:8:3.2.5,7:6:2:10.11.12,12:10:8:3.2.5,THB:9:10:2:6.8.5,12:3:8:10.9.11,4:3:8:10.9.11|
57145 CCn1c(SCc2ccccc2Cl)nc2ccccc12
57146 OC(COc1ccc2ccccc2c1Br)Cn1cnc(c1)-c1ccccc1
57147 Clc1ccc(NC(=O)N2CCC(=CC2)c2ccccc2)cc1Cl |c:11|
57148 CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccco2)cc1
57149 CC(C)C1Cc2c(CO1)sc1[nH]c(=S)n(Cc3ccccc3)c(=O)c21
57150 O=C(OCc1ccccc1)c1cccc(c1)-c1nnn(Cc2ccccc2)n1
57151 c1ccc(cc1)-c1noc(n1)-c1ccccc1-c1ccccc1
57152 Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
57153 Cc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(O)c(c1)S(=O)(=O)c1ccc(C)cc1
57154 CCOC(=O)C(=NNc1ccccc1)c1csc(Nc2ccccc2)n1 |w:6.6|
57155 CCOC(=O)C(=NNc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1 |w:6.6|
57156 C(COc1ccc2CCCc2c1)Cn1cnc2ccccc12
57157 Clc1ccc(cc1)C1N2NC=NC2=NC2=C1CCc1ccccc21 |c:11,14,16|
57158 CCOc1cc(CNc2ccc3CCCc3c2)ccc1OC
57160 CCOC(=O)N1CCC(CC1)N1Cc2cccc(C(=O)Nc3ccc(F)cc3)c2C1=O
57161 O=c1n(CCc2ccccc2)c(SCC#N)nc2ccc(cc12)N1CCOCC1
57162 CCCCCCCCOC(=O)C1C(c2cccs2)n2nnnc2N=C1C |c:25|
57163 Clc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1
57164 COC(=O)c1cn[nH]c1NC(=S)Nc1ccc(C)cc1Cl
57165 Cc1oc(nc1Cn1cccc1C1=NC(CO1)c1ccccc1)-c1ccccc1Cl |t:14|
57166 CC1CCC(CC1)C(=O)c1c(O)c2ccccc2oc1=O |(3.08,1.83,;4.41,1.06,;4.41,-.48,;5.75,-1.25,;7.08,-.48,;7.08,1.06,;5.75,1.83,;8.41,-1.25,;8.41,-2.79,;9.75,-.48,;11.08,-1.25,;11.08,-2.79,;12.42,-.48,;13.79,-1.3,;15.19,-.51,;15.19,1.09,;13.79,1.89,;12.42,1.06,;11.08,1.83,;9.75,1.06,;8.41,1.83,)|
57167 CC(C)OC(=O)c1c(N)scc1-c1cc(C)ccc1C
57168 C(N1CCN(CC1)c1nc2ccccc2c2ccccc12)c1ccccc1
57169 Oc1cc(=O)cc[c-]1N=[NH+]c1ccc(cc1)[N+]([O-])=O |w:9.10|
57170 Fc1ccc(CSc2nc3ccccc3[nH]2)c2ccccc12
57171 Cn1cc(cc1C(=O)NN=C(N)COc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1Cl |w:9.9|
57172 Cn1cc(cc1C(=O)NN=C(N)COc1cccc(c1)C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl |w:9.9|
57173 Fc1ccc(CON=CC2=C(Cl)c3ccccc3CC2)cc1 |c:9|
57174 Cc1cc(C)c2nc(SCCc3ccccc3)nc(C)c2c1
57175 Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc(Br)cc1
57176 COc1ccc2ccc3O[C@@]4(C=Nc3c2c1)N(C)c1ccccc1C4(C)C |c:11|
57177 COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2)nc(O)cc1=O |(11.08,-2.31,;12.42,-1.54,;13.75,-2.31,;13.75,-3.85,;15.08,-4.62,;16.42,-3.85,;16.42,-2.31,;15.08,-1.54,;15.08,,;13.75,.77,;12.42,,;11.08,.77,;9.75,,;9.75,-1.54,;8.41,.77,;7.08,,;5.75,.77,;4.41,,;4.41,-1.54,;3.08,-2.31,;5.75,-2.31,;7.08,-1.54,;13.75,2.31,;15.08,3.08,;15.08,4.62,;16.42,2.31,;16.42,.77,;17.75,,)|
57178 COc1ccc(CCN2C(c3c(n[nH]c3C2=O)-c2ccccc2O)c2cccc(Cl)c2)cc1
57179 CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2CCCCc2n(CC(C)C)c1=O
57180 Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
57181 CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
57182 CCOC(=O)c1cnc(nc1Nc1ccc(OC)cc1)-n1nc(C)cc1C
57183 CCOC(=O)c1cnc(nc1Nc1ccc(C)cc1)-n1nc(C)cc1C
57184 CCSC1=NC(C)=C(C(C1C#N)c1ccc(Cl)cc1)C(=O)OCC=C |c:6,t:3|
57185 Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|
57186 Brc1ccc(cc1)C1CN=NC11CCc2ccccc2C1=O |c:10|
57187 CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(cc1)C#N
57188 COC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)n1nc(C)c(Br)c1C
57189 CCOC(=O)c1c(NC(=O)c2c(N)n(CCCOC)c3nc4ccccc4nc23)sc2CCCCc12
57190 COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
57191 CCCCN(CCCC)c1cc(C)nc(n1)-c1ccccc1O
57192 Cc1ccc(cc1)C1Oc2ccccc2C2=C1C(N1NC=NC1=N2)c1cccs1 |c:17,23,26|
57193 CCC1(C)Cc2ccccc2-c2nc(oc(=O)c12)-c1ccccc1
57194 Cn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n(C1CCCCC1)c2=O
57195 O=C(Nc1ccc(cc1)-c1ccccc1)C1c2nc3ccccc3n2CCC1=O
57196 Cc1cccc(CSc2ncnc3n(Cc4ccccc4)ncc23)c1
57197 Cc1sc2nc(SCc3ccc(C)cc3)n(Cc3ccco3)c(=O)c2c1C
57198 CCCC(=O)Nc1ccc2n(C)c(CCNC(=O)c3ccccc3)nc2c1
57199 Brc1ccc(cc1)C1N2NC=NC2=NC2=C1C(Oc1ccccc21)c1ccncc1 |c:11,14,16|
57200 COc1ccc(cc1O)-c1cc(=Nc2nc(c(C)s2)-c2ccccc2)c2ccccc2o1
57201 Cc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1
57202 Cc1nn(c(N)c1-c1ccc(Cl)cc1)-c1nc2ccccc2[nH]1
57203 CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
57204 FC(F)(F)c1cccc(c1)N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:18|
57205 Cc1ccc2nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc(C)c2c1
57206 CC1(C)Cc2nc3sc4c(OCc5ccccc5)ncnc4c3cc2CO1
57207 Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1
57208 Cc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1
57209 CCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc12
57210 Cc1cc2ncn(-c3ncnc4sc5CCCc5c34)c2cc1C
57211 Brc1ccc(cc1)-c1cn-2c(CCc3ccc4cccnc4c-23)n1
57212 Clc1ccc(cc1)C1NC(=S)N=C2NC(N(C(=O)C12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:12|
57213 Cc1ccsc1C(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C
57214 CC1(C)N=C(N)NC(Nc2ccccc2)=N1 |c:15,t:3|
57215 CC(=N)C(C#N)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC=C
57216 CCOC(=O)c1c(N)sc(c1-c1ccc(Cl)cc1)C(O)(C(F)(F)F)C(F)(F)F
57217 CCn1c(c[nH]c1=S)-c1ccccc1
57218 Cc1cccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)c1
57219 Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)Nc1ccc(Oc2ccccc2)cc1
57220 CCCSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1
57221 Cc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1
57222 Fc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(cs2)-c2ccccc2)CC1
57223 CSCC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1
57224 Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12
57225 CCCc1ccc(cc1)-c1cc(N)[nH]n1
57226 COc1cc(OC)cc(c1)C(=O)Nc1nc2ccccc2[nH]1
57227 Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccc(Cl)cc3)c2n1
57228 CC(=NNC(=S)NCC=C)c1ccccn1 |w:2.2|
57229 CCN(CC)c1ccc(cc1)C(=O)OCc1cc(=O)oc2cc(O)ccc12
57230 CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1CC
57231 COc1ccc(cc1)-c1oc(NC(=O)CSc2nnc[nH]2)c(C#N)c1-c1ccc(OC)cc1
57232 [H]C12CCC([H])(C1)C(C2)C(C)n1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NC(C)C |TLB:9:7:6:3.2|
57233 Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1ccccn1
57234 COc1ccc(cc1)-c1oc(NC(=O)CCl)c(C#N)c1-c1ccc(OC)cc1
57235 O=C(CCCSc1ccccc1)Nc1nc(cs1)-c1ccccn1
57236 Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
57237 CC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
57238 CC(C)n1nc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c2ccccc2c1=O
57239 CC(C)CCOc1ccc(C=NNC(=S)Nc2c(C)cccc2C)cc1 |w:11.11|
57240 CC1CCc2c(C1)sc(c2C#N)-n1c(C)ccc1C |(3.08,-2.27,;4.41,-1.5,;4.41,.04,;5.75,.81,;7.08,.04,;7.08,-1.5,;5.75,-2.27,;8.54,-1.97,;9.44,-.73,;8.54,.51,;9.02,1.97,;9.5,3.44,;10.98,-.73,;11.88,-1.97,;11.41,-3.44,;13.35,-1.5,;13.35,.04,;11.88,.52,;11.41,1.98,)|
57241 CCOC(=O)C(=NNc1ccc(Cl)cc1)c1csc(Nc2ccccc2)n1 |w:6.6|
57242 OC(CNCc1ccco1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
57243 Cc1nc(N)sc1N=Nc1ccc(F)cc1 |w:8.9|
57244 Cc1ccc(C)c(C=NNC(=S)NCCc2ccccc2)c1 |w:8.8|
57245 CC1CC(CC(C)(C)C1)=NNC(=S)NCc1ccccc1 |w:9.10|
57246 CC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1 |t:15|
57247 CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1ccccc1)c(O)c1ccccc21
57248 Cn1c(N)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c(=O)n(C)c1=O
57249 CC1=C(C(NC(=S)N1c1ccccc1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)[N+]([O-])=O |t:1|
57250 CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
57251 CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)scc1-c1ccc(C)o1
57252 FC(F)Sc1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1
57253 COc1ccc(cc1OC)C(=O)Nc1sc(C)c(c1C#N)-c1ccccc1
57254 CCc1ccc2=NC(=O)C(NNc3nc(cs3)-c3ccccc3)=c2c1 |c:24,t:5|
57255 OC(c1nnc(o1)-c1ccccc1)c1ccc(OCc2ccccc2)cc1
57256 CN1C(=S)NC(=O)\C(=C/c2cccn2-c2ccc3ccccc3c2)C1=O
57257 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
57258 COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)c1O |w:9.9|
57259 Nc1[nH]n2c(nc3CCCCc3c2=O)c1N=Nc1ccc(Cl)cc1 |w:15.17|
57260 CC(Sc1nnc(COc2ccccc2)n1CC=C)C(=O)NN=Cc1cc(Cl)ccc1O |w:22.23|
57261 Oc1ccc(C=Nn2c3ccccc3c3ccccc23)cc1 |w:6.6|
57262 Cc1cccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1
57263 CCCCCCCn1[nH]c(C)c(C(=O)c2ccccc2)c1=O
57264 CC(C)OC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C#N)c1C
57265 COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
57266 CC(C)c1ccc(cc1)-c1cc(C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c2ccccc2n1 |c:16|
57267 CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)cc1
57268 CC(C)Nc1nc(NC(C)C)nc(n1)N(C)N
57269 Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1
57270 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
57271 Clc1cccc(NC(=O)NNC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1
57272 Oc1ccc(Cl)cc1C=NNC(=O)CSc1nnc(COc2ccccc2)n1CC=C |w:9.10|
57273 COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1
57274 CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C(F)(F)F
57275 Cc1cccc(C)c1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
57276 CC(C)c1ccc(OCCc2c(C)n[nH]c2C)cc1
57277 COC(=O)c1c(C)c(sc1NC(=O)c1ccccc1)C(=O)c1ccccc1
57278 Cc1ccc(cc1)S(=O)(=O)CNC(=S)c1ccc2ccccc2c1
57279 CCOC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C#N)c1C
57280 C\N=C1\S\C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C
57281 CCc1sc(nc1-c1ccccc1)N(C(=O)Cc1ccccc1)c1ccc(F)cc1
57282 Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
57283 CCCc1ccc(cc1)-c1cc(C(=O)N\N=C\c2ccc(o2)[N+]([O-])=O)c2ccccc2n1
57284 Clc1ccc(NC(=O)NNC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)c(C#N)c2=O)cc1Cl
57285 CCOC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(C1)c1ccc(Cl)cc1 |t:5|
57286 COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(n2)-n2nc(C)cc2C)cc(OC)c1OC |w:7.7|
57287 Clc1ccccc1CSc1nnc(NC(=O)C2COc3ccccc3O2)s1
57288 CCSc1cc(nc(n1)-c1ccccc1)N1CCCC1
57289 Cc1nnc(-c2ccccc2)c(=O)n1N=Cc1c(O)ccc2ccccc12 |w:14.15|
57290 CC(C)Sc1cc(nc(n1)-c1ccccc1)N1CCCC1
57291 COc1ccc(Cl)cc1C(=O)NNC(=S)NC(=O)c1cc(nc2ccccc12)-c1ccccc1
57292 CC(C)Sc1cc(nc(n1)-c1ccc(F)cc1)N1CCCC1
57293 CCOc1ccc(cc1)C(=O)NN=C(c1ccccc1)c1ccccn1
57294 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1
57295 CC(C)C(NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1
57296 c1[nH]c2ccccc2c1-c1nnc(-c2ccccc2)c(n1)-c1ccccc1
57297 COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)cc1OC |w:8.8|
57298 Fc1ccccc1CNc1cc(Cl)cc(Cl)c1
57299 Fc1ccccc1CNc1ccc(Cl)c(Cl)c1
57300 CCc1sc(nc1-c1ccc(C)cc1)N(C(=O)Cc1ccccc1)c1cccc(F)c1
57301 Cc1ccc(cc1)-c1n[nH]c(N)c1N=Nc1ccccc1C |w:14.16|
57302 Cc1ccc(CN2CN(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1
57303 Cc1cccc(NC(=O)c2c(N)n(CC=C)c3nc4ccccc4nc23)c1
57304 Cc1ccccc1N1CCN(CC1)C(=O)CCN1C(=O)c2ccccc2C1=O
57305 CC1CCCC(C)N1c1nnc(NC(=O)c2cc(on2)-c2ccc(Br)cc2)s1
57306 COc1cnc(nc1Oc1ccccc1Cl)-c1ccccn1
57307 COc1cnc(nc1Oc1ccc(Cl)c2ccccc12)-c1ccccn1
57308 COc1ccc(Oc2nc(nc3ccccc23)C(F)(F)F)cc1
57309 Clc1ccc(SCc2cc(Cl)nc(n2)-c2ccccc2)cc1
57310 CCOC(=O)c1cnn(-c2nc(cs2)-c2ccccc2)c1C(F)(F)F
57311 CCOC(=O)c1cnn(-c2nc(cs2)-c2cccc(F)c2)c1C(F)(F)F
57312 CC(=O)c1ccc(N2CCC(CC2)c2cc(n[nH]2)-c2ccc(Cl)cc2Cl)c(c1)[N+]([O-])=O
57313 CSc1nc(Oc2ccc3ccccc3c2)c2sccc2n1
57314 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(C)=O
57315 CC(C)n1c2ccccc2c2oc(=O)cc(O)c2c1=O
57316 COC(=O)c1ccc(N2CCC(CC2)c2cc(n[nH]2)-c2ccc(OC)cc2)c(c1)[N+]([O-])=O
57317 CC(C)(C)c1ccc(Cn2ccc(n2)-c2ccc3OCOc3c2)cc1
57318 CCOC(=O)c1cnn(-c2nc(cs2)-c2ccccc2F)c1C(F)(F)F
57319 COc1cc2CCN3C(Cc4c(cnc5c(cnn45)-c4ccc(F)cc4)C3=O)c2cc1OC
57320 Cn1c(Sc2ccccc2Cl)c(C=O)c2ccccc12
57321 COc1ccc(CN2C(=O)C(C=NOCc3ccc(Cl)cc3)c3ccccc3C2=O)cc1
57322 COc1ccc(CN2C(=O)C(C=NOCc3ccc(C)cc3)c3ccccc3C2=O)cc1
57323 COc1cnc(nc1Sc1ccc(Cl)cc1)-c1ccccn1
57324 COc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
57325 COc1cccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
57326 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1
57327 Fc1ccccc1C1Sc2ccccc2N=C2C1C(=O)c1ccccc21 |c:17|
57328 Cc1cc(=O)n([nH]1)-c1nc(cs1)-c1ccccc1
57329 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1
57330 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(Br)s1)-c1ccccc1 |w:8.9|
57331 O=C(NNC(=S)NC(=O)c1ccco1)c1cccs1
57332 CC1(C)CC(=O)C2=C(C1)N=C1C(C2c2ccc(Cl)cc2)C(=O)c2ccccc12 |c:6,10|
57333 CC1(C)CC(CCS1)c1nc(cs1)-c1ccc(Cl)cc1
57334 COc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3OC)cs2)cc1
57335 Cc1ccc(CNC(=O)c2ccc(o2)[N+]([O-])=O)cc1
57336 COC(=O)c1c(NC(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2CCCc12
57337 Clc1ccc(Cl)c(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)c1 |w:15.14|
57338 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(Cl)s1)-c1ccccc1 |w:8.9|
57339 Cc1cc(C)c(-c2noc(C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C)c(C)c1 |(8.75,-7.05,;8.75,-5.51,;7.42,-4.74,;7.42,-3.2,;5.9,-2.94,;8.75,-2.43,;9.28,-.99,;10.76,-.56,;10.82,.98,;9.37,1.5,;8.94,2.98,;7.45,3.36,;10.01,4.09,;9.59,5.57,;9.16,7.05,;11.07,6,;8.11,5.15,;8.42,.29,;6.88,.34,;6.07,-.96,;6.16,1.7,;4.62,1.76,;3.08,1.81,;4.67,3.3,;4.57,.22,;10.09,-3.2,;11.42,-2.43,;10.09,-4.74,)|
57340 [H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1ccc(OC)cc1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:25:3.2|
57341 COc1ccccc1-c1n[nH]c2[C@@H](CC[C@@H](C)c12)C(C)C
57342 COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)cc1C
57343 CCCCSc1ccc2nc(cn2c1)-c1ccc(cc1)C#N
57344 Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccc(Br)cc1
57345 CCCSc1cc(nc(n1)-c1ccccc1)N1CCCC1
57346 Clc1ccc(c(Cl)c1)-c1cc(C(=O)NNC(=O)Nc2ccccc2)c2ccccc2n1
57347 CCCCNC(=O)c1onc(CSc2ccc(cc2)C(C)C)c1C(O)=O
57348 Fc1ccccc1-c1nnn(CC(=O)N(CC(=O)NCc2ccccc2)c2cccc3CCCCc23)n1
57349 CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
57350 C1C(N(N=C1c1cccs1)c1ccccc1)c1ccco1 |c:3|
57351 N=c1n(Cc2ccco2)cnc2oc(c(-c3ccccc3)c12)-c1ccccc1
57352 Clc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
57353 Clc1c(sc2ccccc12)C(=O)Nc1nccs1
57354 Clc1ccc(C=NN=C(Nc2ccccc2)c2ccccn2)c(Cl)c1 |w:7.6,5.4|
57355 CCc1c(C)sc2nc(nc(SCC(=O)N3CCc4ccccc4C3)c12)C(C)C
57356 Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
57357 COc1cccc(c1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:9.10|
57358 Clc1ccc(cc1Cl)-c1cc(C(=O)NNC(=O)Nc2ccccc2)c2ccccc2n1
57359 Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccc(C)cc2[N+]([O-])=O)o1
57360 [O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2ccccn2)c1=O |w:10.9|
57361 FC(F)(F)c1cc(ccc1Cl)N(CC(=O)NN=Cc1cccc2OCCOc12)S(=O)(=O)c1ccccc1
57362 CCc1nc(SCC(=O)N2C(C)Cc3ccccc23)c2c(C)c(C)sc2n1
57363 Cc1cc(N2CCN(CC2)c2ccccc2Cl)n2cc(nc2n1)-c1ccccc1
57364 Clc1ccc(COn2c(nc3ccccc23)-c2ccc(Cl)cc2)cc1
57365 COc1ccc(cc1)C(=O)OC1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
57366 CN(C)CCN=CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl |w:5.4|
57367 Clc1ccc(cc1)C(=O)c1cnc(Nc2ccccc2Cl)s1
57368 Clc1ccc(Cn2nc(-c3ccccc3)c(cc2=O)N2CCCCC2)c(Cl)c1
57369 Clc1ccc(C(=O)c2cnc(s2)-c2ccccc2)c(Cl)c1
57370 Clc1ccc(cc1)-c1cc2ccccc2nc1N1CCCC1
57371 Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2cccc(F)c2)n1
57372 Cc1ccc(cc1)S(=O)(=O)N1C(COc2ccccc12)C(C)(C)C
57373 FC(F)(F)c1nnc(NC(=O)CSc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)s1
57374 OC(=O)c1cnc(nc1Sc1ccc(Cl)cc1Cl)-c1ccccc1
57375 CCNc1nc(Oc2c(Cl)cccc2Cl)cc(n1)C(F)(F)F
57376 CC(C)Nc1nc(Oc2cccc(Cl)c2Cl)cc(n1)C(F)(F)F
57377 Clc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1Cl
57378 Clc1ccc(cc1)S(=O)c1snnc1C(=O)Nc1ccccc1
57379 FC(F)(F)c1cnc(Cc2ccc(s2)C(=O)CCl)c(Cl)c1
57380 Cc1ccccc1C(=O)Nc1nc(=S)ss1
57381 Clc1cc(CSc2ccccc2)nc(n1)-c1ccccc1
57382 COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3OCCOc3c2)n1
57383 Clc1ccc(Oc2ccccc2\C=C2/SC(=O)NC2=O)cc1
57384 CN(C)c1nc(SCc2ccccc2Cl)nc2CCCCc12
57385 Clc1ccc(CN2c3cc(Cl)ccc3SCCC2=O)cc1
57386 Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(n1)-c1ccc(Cl)cc1 |(3.56,4.89,;4.46,3.64,;6,3.64,;6.48,2.18,;7.94,1.7,;8.42,.24,;7.52,-1.01,;9.96,.24,;10.44,1.7,;11.9,2.18,;13.05,1.15,;14.51,1.62,;14.83,3.13,;16.29,3.61,;13.69,4.16,;12.22,3.68,;9.19,2.61,;9.19,4.15,;5.23,1.27,;3.99,2.18,;5.23,-.27,;3.9,-1.04,;3.9,-2.58,;5.23,-3.35,;5.23,-4.89,;6.57,-2.58,;6.57,-1.04,)|
57387 Cc1cc(n[nH]1)-c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O
57388 CN1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@]2(COc3ccccc3C2=O)[C@@]11C(=O)Nc2ccccc12
57389 FC(F)(F)c1cccc(NC(=O)c2cc3c(nc2C(F)(F)F)oc2ccccc2c3=O)c1
57390 CCCCCCn1[nH]c(C)c(C(=O)c2ccc(Cl)cc2)c1=O
57391 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C2CCCCC2)c1
57392 CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2OCOc2c1 |w:2.2|
57393 CC(=O)Nc1ccc(cc1)C#Cc1ccc(NC(C)=O)cc1
57394 Cc1cccc(C)c1OC1(OC(=O)c2ccccc12)c1ccccc1
57395 Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(Br)c(C)n1
57396 Clc1cc(NC(=S)NC(=O)C=Cc2ccco2)ccc1N1CCOCC1 |w:10.9|
57397 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(=O)n([nH]1)-c1ccccc1
57398 CCCCC(CC)CN1C(=S)S\C(=C/c2ccncc2)C1=O
57399 CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
57400 COc1cc(NC(=O)c2cc3nc(cc(-c4ccccc4)n3n2)-c2ccccc2)cc(OC)c1OC
57401 COc1cc(C)ccc1OCCCOc1ccccc1Br
57402 Cc1cccc(OCCCOc2cccc3cccnc23)c1C
57403 COc1cc(OC)cc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
57404 Cc1nnc(SCC(=O)NN=Cc2cn(nc2-c2ccc(C)cc2)-c2ccccc2)n1-c1ccccc1
57405 Clc1cccc(c1)N=CC1Sc2ccccc2NC1=O |w:7.7|
57406 Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
57407 CC(=NNC(=N)Sc1cc(O)n(c1O)-c1ccc(Br)cc1)c1cccs1 |w:2.2|
57408 O=C(N1N=C(CC1c1ccccc1)c1ccccc1)c1cccs1 |c:3|
57409 Cc1ccc(NC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1C
57410 CC(=NNC(=N)Sc1cc(O)n(c1O)-c1ccc(Cl)c(Cl)c1)c1cccs1 |w:2.2|
57411 Cc1ccc(C=CC(=O)C2C(=O)c3ccccc3C2=O)cc1 |w:6.6|
57412 Oc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
57413 Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
57414 CC(=O)N(CCC(Cc1ccccc1)c1ccc2OCOc2c1)Cc1ccc(Cl)cc1
57415 C(N=Nc1ncnc2sc3CCCc3c12)c1cccs1 |w:2.2|
57416 Cc1ccc(Cn2c(Cc3ccccc3)nc3ccccc23)cc1
57417 Cc1ccc(-c2csc(n2)-c2c[nH]c3ccccc23)c(C)c1
57418 CCCCCCOC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O |w:10.10|
57419 Clc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)nc1
57420 Cc1cc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1C
57421 Clc1ccc2nc(SCC=C)nc(-c3ccccc3)c2c1
57422 CC(C)c1nc(NCc2ccccc2)c(C#N)c2CCCCc12
57423 FC(F)C(F)(F)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(F)(F)F
57424 CC(C)CC(=O)NC(NC(=S)Nc1sc2CCCCc2c1C#N)C(Cl)(Cl)Cl
57425 Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2cc(C)ccc2C)c(C(N)=O)c1C
57426 COc1ccc(cc1NC(=S)NC(NC(=O)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl)[N+]([O-])=O
57427 Cc1cc(C)nc(SCC(=O)NC2=NN=C(CS2)c2ccc(Br)cc2)n1 |c:14,t:12|
57428 [O-][N+](=O)c1ccc(cc1)-c1nc(-c2cccs2)c([nH]1)-c1cccs1
57429 CCC(=O)N(CCC(Cc1ccccc1)c1ccc2OCOc2c1)Cc1ccccc1F
57430 Clc1cccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)c1 |w:14.13|
57431 Cc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1
57432 Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
57433 Fc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1
57434 OC(=O)c1ccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
57435 Clc1cccc(Cl)c1Cn1nc(-c2ccccc2)c2ccccc2c1=O
57436 Clc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl
57437 Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)NCC=C)c1
57438 [O-][N+](=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1
57439 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc([nH]n1)C(=O)NN=Cc1c(C)nn(c1C)-c1ccccc1 |w:21.24,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
57440 Clc1ccc(CSc2nccn2Cc2ccccc2)cc1
57441 C1CCc2sc(Nc3cccc4ccccc34)nc2C1
57442 CCOc1c(OC(C)=O)ccc(\C=C\c2ccc3cccc(OC(C)=O)c3n2)c1[N+]([O-])=O
57443 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1)-c1ccccc1 |w:8.9|
57444 Cc1nn(c(C)c1C=Nn1c(n[nH]c1=S)-c1ccc(cc1)C(C)(C)C)-c1ccccc1 |w:8.9|
57445 O=C(Cc1ccccc1)NN=Cc1ccccn1
57446 CNC(Sc1cc(O)n(c1O)-c1ccc(cc1)C(=O)OC)=Nc1cc(Cl)ccc1Cl |w:21.23|
57447 N=C1N2C(SCc3ccccc3)=NSC2=NC(=O)\C1=C/c1cccs1 |c:12,16|
57448 [O-][N+](=O)c1cccc(Cl)c1N1CCN(CC1)C(=S)NC(=O)c1cccs1
57449 COC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1
57450 Cc1ccc(Oc2ccc3C(=O)N(C(=O)c3c2)c2cccc3cccnc23)cc1
57451 Fc1ccc(CSc2ncnc3sc4CCCCc4c23)cc1
57452 Fc1ccccc1C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
57453 Clc1cccc(Cl)c1CSCCNS(=O)(=O)c1ccc2OCCOc2c1
57454 FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1
57455 O=C(CSC(=S)N1CCCCC1)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
57456 Clc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|
57457 Cc1ccc(Oc2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
57458 CCc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccs1
57459 COc1ccc(cc1)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
57460 FC(F)(F)c1cccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)c1
57461 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
57462 Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
57463 COc1ccc(cc1)C1CC(=NN1C(=O)c1cccs1)c1ccccc1 |c:11|
57464 Cc1cccc(NC(=S)NC(N)=Nc2nc(C)c3ccc(C)cc3n2)c1 |w:12.12|
57465 CC(C)(C)c1nnc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)s1
57466 Clc1ccc(CSCCNC(=S)Nc2ccccc2)c(Cl)c1
57467 Clc1ccc(COc2ccc3ccccc3c2CN=O)cc1
57468 CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc1
57469 Clc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1 |w:13.12|
57470 COc1ccc(cc1)-c1oc2ncn(Cc3ccco3)c(=N)c2c1-c1ccc(OC)cc1
57471 CCOc1ccc(cc1)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
57472 Cc1cc(C)c(CSc2nc(c[nH]2)-c2ccc(cc2)[N+]([O-])=O)c(C)c1
57473 [O-][N+](=O)c1cc(ccc1NCCNC(=S)Nc1ccc(Cl)cc1)C(F)(F)F
57474 Cc1nn(C(=O)c2cccnc2)c(C)c1Sc1ccc(Br)cc1
57475 OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
57476 CCN1C(=O)C(CC(=O)Nc2ccc(Br)cc2)N(CCCc2ccccc2)C1=S
57477 Cc1ccc(cc1)C(O)(C(=O)NNc1ccc2ccccc2n1)c1ccc(C)cc1
57478 COc1cc(OC)cc(c1)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
57479 CCOC(=O)c1c(NC(=S)NCCc2ccccc2)sc2COC(Cc12)C(C)C
57480 Cc1oc(cc1C(=O)NCCc1ccccc1)-c1cc(Cl)cc(Cl)c1
57481 COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1OC
57482 COc1ccc(CCNC(=O)c2cc(oc2C)-c2ccc(Cl)c(Cl)c2)cc1
57483 CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
57484 COc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1OC
57485 Cc1ccc(NS(=O)(=O)c2ccc(cc2)C2CCCCC2)cc1
57486 COc1cccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1
57487 OCCN(CCO)c1ccc(C(c2ccccc2Cl)c2ccc(cc2Cl)N(CCO)CCO)c(Cl)c1
57488 O=C(Cc1ccccc1)NN1C(=S)S\C(=C/c2c[nH]c3ccccc23)C1=O
57489 COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
57490 COc1cc(C=O)cc(CC=C)c1OCc1ccc(Cl)cc1Cl
57491 CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1
57492 Cc1cc(C)c(C)c(OCCCOc2cccc3cccnc23)c1
57494 Oc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1Sc1nc2ccccc2s1
57495 Cc1ccc(s1)C(Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1O
57496 CCC(=O)Nc1ccc(Nc2nc(C)c(c(Nc3ccc(NC(=O)CC)cc3)n2)[N+]([O-])=O)cc1
57497 Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1c(C)[nH][nH]c1=O
57498 CC(C)C(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
57499 [O-][N+](=O)c1ccc(cc1)-c1c[nH]c(SC(c2ccccc2)c2ccccc2)n1
57500 CCCCCCCCOC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O |w:11.10|
57501 Cc1ccc(C)c(c1)C(=O)COC(=O)c1cc(Cl)nc2ccccc12
57502 Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1ccccc1F |w:12.13|
57503 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)-c1ccc(Br)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
57504 Nc1c(C#N)c(nn1CCO)C(=C/c1ccc(\C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1)\C#N
57505 Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)c1
57506 C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |t:16|
57507 COc1cc(c[c-](\C=[NH+]\NC(=O)C(C)Nc2cccc(C)c2)c1=O)[N+]([O-])=O
57508 Oc1ccccc1C(=O)NN\C=C1/C=C2CCCN3CCCC(C1=O)=C23 |t:14,26|
57509 Clc1ccc(cc1)S(=O)(=O)Nc1cccc2CCCCc12
57510 Cc1nn(c(C)c1CN=Nc1nc2ccccc2[nH]1)-c1ccccc1 |w:9.10|
57511 COc1cccc(Nc2c3CCCc3nc3c(c(C)nn23)-c2ccccc2)c1
57512 Cc1ccc2nc(sc2c1)-c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
57513 Oc1ccccc1C=NNC(=O)C(=O)CC1=NC2(CCCC2)Cc2ccccc12 |w:8.9,t:16|
57514 CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:9,t:4|
57515 CCC(C)N1C(=S)NC(=O)C(=CNNc2ccccc2)C1=O |w:11.11|
57516 OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2ccccc2Cl)cc1 |w:9.9|
57517 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(Br)cc3)cc2)n1
57518 Clc1ccc(C(=O)NNC(=S)NC(=O)c2cccnc2)c(Cl)c1
57519 COc1cccc(C2C3=C(N=c4sc(=Cc5cccc(O)c5)c(=O)n24)c2ccccc2CC3)c1OC |c:8,t:10|
57520 Clc1cccc(NC(=S)NC(=O)c2ccc3OCCOc3c2)c1N1CCCCC1
57521 CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
57522 C(Oc1ccccc1)c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1
57523 Cc1n[nH]c(=S)n1N=Cc1ccc(OCc2c(C)cc(C)cc2C)cc1 |w:7.7|
57524 O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccccc1
57525 COc1ccc2oc(=O)c(cc2c1)-c1csc(Nc2ccc(O)cc2)n1
57526 Clc1ccc(cc1)C1Sc2ccccc2N=C2C1C(=O)c1ccccc21 |c:17|
57527 Clc1ccc(NC(=O)ON=Cc2ccncc2)cc1Cl |w:9.8|
57528 O=C(Oc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)c1)c1ccco1 |w:10.10|
57529 Cc1cc(N=NCc2cccc(Br)c2)nc2ccccc12 |w:4.3|
57530 COc1cccc(C=CC(c2ccc(Br)cc2)=c2c(=C)[nH]n(-c3ccccc3)c2=O)c1OC |w:9.9,8.8|
57531 c1ccc(cc1)-c1cc(nc2ccc3ccccc3c12)-c1ccncc1
57532 [H]C12C=CC([H])(C3C1C(=O)N(C3=O)c1ccc(C)cc1)C1=C(CC3C(C21)C(=O)N(C3=O)c1ccc(C)cc1)c1ccccc1 |c:2,t:23,TLB:11:6:25.20:2.3,21:20:7.6:2.3,THB:8:7:25.20:2.3,24:25:7.6:2.3|
57533 O=C(COc1ccccc1)Nc1cccc(c1)-c1nc2ccccc2[nH]1
57534 Oc1ccc(Br)c(C=NNC(=O)COc2ccc(cc2)-c2ccccc2)c1
57535 CC(=C)CNC(=S)NNC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc12
57536 Cc1sc2ncnc(N=NCc3ccccc3O)c2c1C |w:8.7|
57537 CC(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)=NNC(=O)c1cc2ccccc2cc1O |w:17.18|
57538 COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc2OCOc2c1
57539 CN(C)c1ccc(C=CC(C)=NNC2=NC(=O)CC(S2)C(=O)Nc2ccc(Cl)cc2)cc1 |w:11.11,7.6,t:13|
57540 CCCCCCCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccc(cc1)[N+]([O-])=O
57541 CN(C)c1ccc(C=CC(C)=NNC2=NC(=O)CC(S2)C(=O)Nc2ccccc2)cc1 |w:11.11,7.6,t:13|
57542 COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1
57543 Clc1ccc2nc(c(Nc3ccc4OCOc4c3)n2c1)-c1ccccn1
57544 CCCCCCCc1nn2c(O)cc(=O)nc2s1
57545 COc1ccc(cc1)-c1cc(nc(NCc2cccs2)n1)C(F)(F)F
57546 CNC(=S)NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12 |w:5.4|
57547 COc1ccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)cc1OC
57548 CC(C)c1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SC=CN2C1=N |c:23,t:20|
57549 COc1cccc(C=NNC(=O)c2cnn(c2C(F)(F)F)-c2ccccc2)c1O |w:8.8|
57550 Cc1cccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1
57551 COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)cc(OC)c1OC |w:7.7|
57552 Clc1ccccc1C1C(C#N)C(=N)OC2=C1CCc1ccccc21 |c:15|
57553 COc1ccc(CCCC(=O)NN=Cc2cccc(OC)c2O)cc1C |w:12.11|
57554 COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCc3ccccc3C2)cc1
57555 Clc1ccc(NCc2nn(CC(=O)c3ccc(Br)cc3)c3CCCCC[n+]23)cc1
57556 Cc1cccc(c1)-n1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(8.88,-7.09,;9.91,-5.94,;11.41,-6.26,;12.44,-5.11,;11.96,-3.65,;10.46,-3.33,;9.43,-4.48,;9.98,-1.87,;10.88,-.63,;12.42,-.63,;9.98,.61,;10.46,2.07,;11.91,2.54,;11.92,4.07,;13.07,5.1,;12.75,6.61,;11.28,7.09,;10.14,6.06,;10.46,4.55,;9.56,3.31,;8.02,3.31,;8.52,.14,;7.19,.91,;5.85,.14,;4.48,.96,;3.08,.17,;3.08,-1.43,;4.48,-2.22,;5.85,-1.4,;7.19,-2.17,;8.52,-1.4,)|
57557 Nc1nc(NCc2ccco2)nc(N2CCCCCC2)c1[N+]([O-])=O
57558 CCCCc1nc(NCc2ccccc2)c(C#N)c2CCCCc12
57559 CCCc1nc(NCc2ccccc2)c(C#N)c2CCCCc12
57560 Oc1c(C=NNC(=O)c2cccc3ccccc23)sc2ccccc12 |w:4.4|
57561 Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1
57562 CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1
57563 CCCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1
57564 Fc1ccc(cc1)C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1
57565 [H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OCCCCCCC)C2(C)C |TLB:8:6:25:3.2|
57566 O=c1[nH]c(NNC(=S)NCc2ccccc2)nc2-c3ccccc3CC3(CCCCC3)c12
57567 COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
57568 Nc1nc(c(N=Nc2cccc3ccccc23)s1)-c1ccccc1 |w:6.6|
57569 [H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1cccc(Br)c1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
57570 Oc1ccc(CN=Nc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1 |w:7.7|
57571 COc1ccccc1CN=Nc1cc(C)nc(n1)-n1nc(C)cc1C |w:10.11|
57572 Cc1onc(c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1O)-c1ccccc1
57573 CCCn1nnnc1NC(=O)c1ccc2ccccc2c1
57574 CCC(CC)C1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:10,t:5|
57575 Cc1cccc(C)c1OC(=O)C(c1ccccc1)c1ccccc1
57576 COc1cc(OC)cc(c1)C(=O)NC(=S)NNC(=O)Cc1cccs1
57577 CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN1CCSCC1 |w:16.18|
57578 [#6]-[#6]-[#8]-[#6](=O)-c1c(-[#7]\[#6]=[#6]-2/[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)scc1-c1ccc(-[#8]-[#6])cc1
57579 Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1cccc2ccccc12)-c1ccccc1 |w:8.9|
57580 [O-][N+](=O)c1ccc(NN=C(Sc2nnnn2-c2ccccc2)C(=O)c2ccccc2)cc1 |w:8.7|
57581 CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N=NN1CCSCC1 |w:16.18|
57582 Cc1cccc(Nc2nnc(-c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3ccccc23)c1
57583 Cc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
57584 Cc1ccc(cc1)C(O)(C(=O)NNc1ccc2ccccc2[nH+]1)c1ccc(C)cc1
57585 CC(=O)Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)C=Cc1ccccc1 |w:23.25,t:11|
57586 Cc1cc(c(C#N)c(SCC(=O)Nc2nc3cc(Br)ccc3s2)n1)C(F)(F)F
57587 Cc1ccc(cc1)S(=O)(=O)N1CC([C+]([N-]1)C(=O)C1CO1)c1cccc(c1)[N+]([O-])=O
57588 CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=O)C1CCCCC1 |t:12|
57589 COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1
57590 CCc1ccc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)NCC2COc3ccccc3O2)cc1
57591 CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C
57592 Cc1ccc2sc(NNC(=O)c3ccc4OCCOc4c3)nc2c1C
57593 CCS(=O)(=O)Nc1ccc(cc1)-c1cc(-c2ccccc2)c2cc(C)ccc2n1
57594 COc1ccc2ncc(c(N3CCN(CC3)c3ccccc3)c2c1)S(=O)(=O)c1ccccc1
57595 CCOc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12
57596 Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
57597 Cc1ccc2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
57598 COc1cccc(C2CC(=NN2C(=O)CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)c2cccs2)c1OC |c:9|
57599 CC(C)c1cc(C)ccc1OCC(=O)NN=C(C)c1cc2ccccc2o1 |w:15.15|
57600 O=C1N=c2ccccc2=C1NNC(=S)NCCc1ccccc1 |c:9,t:2|
57601 CN1\C(=C/C(=O)Nc2ccc(Cl)cc2)C(C)(C)c2ccccc12
57602 CC(C)c1ccc(NC(=S)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCCC2)cc1
57603 CC(NC(=O)NC(c1ccc(C)c(F)c1)C(Cl)(Cl)Cl)c1ccccc1
57604 O=C(NC(=S)Nc1sc2CCCCCc2c1C#N)C1CCCC1
57605 Cc1ccc(CN2CC(CC2=O)C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1
57606 CC1Cc2ccccc2N1C(=S)NC(=O)c1ccc(Cl)cc1Cl
57607 CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1C
57608 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C1=NC(=S)NC(C1)c1cc(OC)ccc1OC |t:16,TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
57609 Cc1cccc2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc12
57610 Fc1ccc(cc1)C1CC(=NN1C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1)c1cccs1 |c:10|
57611 COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1
57612 Cn1cnnc1SCc1ccc(cc1)C(=O)N\N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12
57613 Fc1ccc(cc1)-c1csc2ncnc(N3CCc4ccccc4C3)c12
57614 FC(F)(F)COc1cc(NC(=O)Nc2ccccc2)cc(OCC(F)(F)F)c1
57615 Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl
57616 Brc1ccc2[nH]c(C(=O)NN=Cc3c[nH]c4ccccc34)c(-c3ccccc3)c2c1 |w:10.9|
57617 [O-][N+](=O)c1ccc(cc1)C(=O)Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:18|
57618 O=C(NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
57619 Oc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br
57620 [O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2ccc3ccccc3c2)o1
57621 Cc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
57622 CCOC(=O)c1nn(-c2cccc(OC)c2)c2nc(Nc3ccccc3)cc(=O)n12
57623 CCn1cc(Cl)c(n1)C(=O)N1N=C(CC1c1ccccc1O)c1ccc2ccccc2c1 |c:12|
57624 CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
57625 O=C(NC(=S)Nn1cnc2n(ncc2c1=O)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
57626 Fc1cccc2sc(Nc3nc4cc5OCOc5cc4s3)nc12
57627 CCOC(=O)c1ccc(NC(=O)Cc2sc(N=NCc3c[nH]c4ccccc34)nc2O)cc1 |w:16.15|
57628 COc1ccc2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
57629 O=C(NNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 |w:4.3|
57630 CCOC(=O)C1=NN(C(=O)c2ccc(OC)cc2)C(O)(C1)c1ccc(Cl)cc1 |t:5|
57631 Cc1ccc(cc1)-c1csc(NNC(=O)c2ccccc2)n1
57632 CC(=O)c1ccc(NC(=O)CN2C(=S)SC(=CC=Cc3ccccc3)C2=O)cc1 |w:16.16,18.18|
57633 O=C(Nc1nnc(o1)-c1ccco1)c1ccc2ccccc2c1
57634 Clc1ccc2nc(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1
57635 Clc1c(sc2ccccc12)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
57636 COc1ccc(NC2=NN=C(CS2)c2c(C)[nH]c3ccccc23)cc1 |c:9,t:7|
57637 NS(=O)(=O)c1ccc2n(CC#C)\c(=N\C(=O)c3cc(Cl)sc3Cl)sc2c1
57638 Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc2ccccc2c1
57639 Fc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4CCCc4c3)c(Cl)cc2Cl)cc1
57640 Cc1c([nH]c2ccc(Cl)cc12)C(=O)NN=Cc1ccc(Cl)cc1
57641 CCC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1 |w:3.3|
57642 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O
57643 COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(=S)NC1=O |c:15|
57644 C1Cc2ccccc2CN1c1ncnc2scc(-c3ccccc3)c12
57645 CC(CCc1ccccc1)NC(=O)C(=O)Nc1ccccc1C
57646 CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)cc1C
57647 CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(cc2)C#N)s1
57648 CC(Sc1nc2cc(ccc2n1-c1cccc(c1)C(F)(F)F)[N+]([O-])=O)C(=O)NC(N)=O
57649 Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1)-c1ccccc1
57650 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25|
57651 COc1cccc(\C=C(\C(=O)OCC(=O)NC2CCCC(C)C2C)c2ccccc2)c1
57652 Cc1ccc(C)c(NC(=S)NN=C2CCCCc3ccccc23)c1 |w:11.10|
57653 CN(Cc1nc(N)nc(Nc2ccccc2C)n1)Cc1ccccc1Cl
57654 CC(N=Nc1ccc(Cl)c(Cl)c1)c1ccc(cc1)-n1ccnc1 |w:2.1|
57655 CC(C)CN1C(=O)\C(=N/NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c2ccccc12
57656 COc1cc(cc(OC)c1OC)C(=O)NC(=S)N(CCc1ccccc1)CCc1ccccc1
57657 Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc3CCc4cccc2c34)nc(O)cc1=O
57658 CC1(CCCCC1)C(=O)NC(=S)NNC(=O)c1ccncc1
57659 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(=S)N1CCN(CC1)c1ccc(F)cc1 |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
57660 Fc1ccccc1NC(=O)CC1S\C(=N/c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O
57661 CN1C(=O)NC(SC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)(c1ccccc1)C(F)(F)F |w:7.6|
57662 O=C(NN=Cc1cccc2ccccc12)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
57663 COc1cc(cc(OC)c1OC)C(=O)NNC(=S)NC(=O)c1ccccc1C
57665 Cc1nn(c(N)c1N=Nc1cccc(C)c1C)-c1ccccc1 |w:8.9|
57666 CCOC(=O)C(NNc1cc(Cl)ccc1Cl)=NC(C)(C)C |w:16.17|
57667 Clc1ccc(cc1)C(=O)OCc1csc(Nc2ccccc2)n1
57669 Oc1c(C=NNC(=O)C2COc3ccccc3O2)c2ccccc2c(=O)n1-c1ccccc1Cl |w:4.4,(5.83,3.13,;7.16,3.9,;8.49,3.13,;8.49,1.59,;7.16,.82,;7.16,-.72,;5.83,-1.49,;4.49,-.72,;5.83,-3.03,;7.16,-3.8,;7.16,-5.34,;5.83,-6.11,;5.85,-7.71,;4.47,-8.52,;3.08,-7.72,;3.09,-6.12,;4.49,-5.34,;4.49,-3.8,;9.83,3.9,;11.21,3.08,;12.6,3.87,;12.6,5.48,;11.21,6.27,;9.83,5.44,;8.49,6.21,;8.49,7.75,;7.16,5.44,;5.83,6.21,;4.49,5.44,;3.16,6.21,;3.16,7.75,;4.49,8.52,;5.83,7.75,;7.16,8.52,)|
57670 CCC(CC)NC(=O)c1oc2ccccc2c1COc1ccccc1
57671 NC(=O)c1ccc(NC(=O)COC(=O)c2c3CCC\C(=C\c4ccc5OCOc5c4)c3nc3ccccc23)cc1
57672 Clc1cccc(NC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)c1
57673 CCc1cccc2c(c[nH]c12)C(=O)COC(=O)C=Cc1ccc(O)c(OC)c1 |w:18.20|
57674 Clc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc4CCCCc4s3)c2)cc1
57675 COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)cc1
57676 [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccccc1)S(=O)(=O)Nc1ccccc1
57677 O=C(COC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1
57678 FC(F)(F)c1ccc(Cl)c(NC(=O)C[n+]2ccc3ccccc3c2)c1
57679 CC(C)[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
57680 Cc1cc(C)c(C(=O)Nc2ccc(Br)c(c2)C(F)(F)F)c(C)c1
57681 CCn1cc(C(=O)OCC(=O)c2cc(C)n(c2C)-c2cccc(c2)C(F)(F)F)c(=O)c2ccc(C)nc12
57682 CC1CCN(CC1)c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12
57683 COc1ccc(cc1OC)-c1nnc(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1N
57684 Cc1[nH]c2ccccc2c1C1=NN=C(Nc2cccc(C)c2)SC1 |t:12,14|
57685 CC(N=Nc1nc2ccccc2s1)c1ccc2OCOc2c1 |w:2.1|
57686 S=C(NCC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1
57687 CC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc12
57688 COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)c1
57689 Cc1ccc(NC(=O)C(OC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1Cl
57690 Cc1nn(Cc2ccccc2Cl)c2sc(cc12)C(=O)Nc1ccccc1N1CCOCC1
57691 CC(=N)C(C#N)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(Br)cc1
57692 CCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F
57693 Cc1cc(NC(=O)\C=C\c2ccccc2Cl)n(n1)-c1nc2ccccc2[nH]1
57694 CC1=C2C(C3=C(N=C2N(N1)c1ccccn1)c1ccccc1C3=O)c1c(C)cc(C)cc1C |c:1,4,6|
57695 CCN(CC)c1ccc(C=NNC(=S)NCc2ccccc2)c(O)c1 |w:10.10|
57696 NS(=O)(=O)c1ccc(NN=C2CCCCC2C2CCCCC2)c(c1)[N+]([O-])=O |w:9.8|
57697 COc1ccc(cc1)-c1nc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)sc1C
57698 Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=C2CC3CCC=C23)c(Br)c1 |w:17.17,t:24|
57699 Cc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)Nc1ccc(Cl)cc1
57700 Cc1ccc(cc1C)S(=O)(=O)NCC(=O)OCC(=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:21|
57701 CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1
57702 Cc1nn(c(Cl)c1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)-c1ccc(Cl)cc1
57703 CN1C(=O)\C(=N/NC(=O)c2cc(nc3ccccc23)-c2cccs2)c2ccccc12
57704 CCOc1cccc(CN=Nc2ccc(cn2)S(=O)(=O)N(CC)CC)c1O |w:10.10|
57705 FC(F)(F)c1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCC2)c1
57706 COc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1cc2oc3ccccc3c2cc1OC
57707 CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)N3CCCCC3)=c2c1 |c:31,t:6|
57708 CCCCN1C(=O)\C(=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc12
57709 Oc1ccc(N=Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc12 |w:6.6|
57710 CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)NN=Cc1cccc(O)c1O |w:21.22|
57711 CN1C(=O)C(=NNc2nc(cs2)-c2ccccc2)c2ccccc12 |w:5.5|
57712 Oc1c(ccc2cccnc12)C(Nc1cccc(c1)C(F)(F)F)c1cccnc1
57713 COc1ccc(NC(=S)NNc2ccc(cc2S(=O)(=O)Nc2ccc(C)cc2C)[N+]([O-])=O)cc1
57714 Cc1noc(C)c1COc1cccc(c1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1Cl
57715 Cc1ccc(cc1)-c1csc2ncnc(NS(=O)(=O)c3ccc(Cl)cc3)c12
57716 Brc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ccccc2c1
57717 COc1cc2nc(CSc3nc(cs3)-c3ccc(F)cc3)[nH]c(=O)c2cc1OC
57718 FC(F)Sc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1
57719 COc1ccc2cc3c(N)nn(C(=O)C4CCC(CC4)C(C)(C)C)c3nc2c1 |(3.08,-.22,;4.42,.54,;5.75,-.23,;5.75,-1.84,;7.14,-2.63,;8.52,-1.8,;9.85,-2.57,;11.19,-1.8,;12.64,-2.27,;13.12,-3.74,;13.54,-1.03,;12.64,.21,;13.12,1.67,;12.09,2.82,;14.63,1.99,;15.11,3.45,;16.61,3.77,;17.64,2.62,;17.16,1.16,;15.66,.84,;19.15,2.94,;20.66,3.26,;18.83,4.45,;19.47,1.43,;11.19,-.26,;9.85,.51,;8.52,-.26,;7.14,.56,)|
57720 COc1ccc(C2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n23)c(OC)c1 |c:18|
57721 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(N)=O)-c1ccc(cc1)C(C)C |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
57722 COc1cccc(c1)C(=O)N1C(CSC1c1ccccc1Cl)C(O)=O
57723 COc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1 |t:7|
57724 CCOC(=O)c1c(CN(C)C)n(-c2ccc(C)cc2)c2cc(Br)c(O)cc12
57725 CCOc1cc(\C=C2\NC(=O)N(CC)C2=O)cc(CC=C)c1OCc1ccc(cc1)C(O)=O
57726 NNC(=O)C(=NNc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 |w:5.5|
57727 O=C(NC(=S)N1CCN(CC1)c1nc(cs1)-c1ccccc1)c1cccnc1
57728 COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OC(C)C(O)=O
57729 Cc1cc(C)cc(NC(=S)NCCSc2ccc(Cl)cc2)c1
57730 CC(=O)Nc1nc(NC(=O)\C=C\c2ccccc2)n(n1)-c1ccccc1
57731 Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)c(C)c1
57732 CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(NC(=O)CC)cc1
57733 COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1ccc(C)cc1
57734 Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1cccnc1
57735 COc1ccc(cc1)C1CC(=NN1C(=O)c1ccc(Br)o1)c1cccs1 |c:11|
57736 CCC\C=C(/CCC)C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
57737 CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)C1(CC(=C)c2ccccc2)CC1
57738 CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(=O)OC
57739 Cc1nc2c(snc2c(=O)[nH]1)C(=O)Nc1ccc(cc1)N1CCCC(O)C1
57740 CC1=C(N2C(SC1)C(NC(=O)Cc1ccccc1)C2=O)C(O)=O |t:1|
57741 CCOc1ccc(cc1)-c1nnc2ccc(SC(C)C)nn12
57742 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2ccco2)cc1OC
57743 Cc1cc(C)c2nc(NNC(=O)c3cc(=O)c4ccccc4o3)sc2c1
57744 Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccco1
57745 Brc1ccc(s1)C(=O)Nc1nnc(o1)-c1ccncc1
57746 NC1=NC(=NNc2nc(cs2)-c2ccccc2)c2ccccc12 |w:4.4,t:1|
57747 COc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1
57748 O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1cc2c3c(CCCC3=O)oc2c2ccccc12
57749 [O-][N+](=O)c1ccc(o1)C(=O)[C-](C#N)c1[nH]c2ccccc2[nH+]1
57750 Oc1cccc(C=c2sc3nc(c(-c4ccccc4)n3c2=O)-c2ccccc2)c1
57751 NC(=O)NC(=O)CSc1nc2cc(ccc2n1-c1cccc(c1)C(F)(F)F)[N+]([O-])=O
57752 CCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1
57753 FC(F)(F)c1cnc(NC(=O)CSc2nnc(o2)-c2ccc3OCOc3c2)c(Cl)c1
57754 Fc1ccc(CSc2nnc(NC(=O)c3ccc4C(=O)N(C(=O)c4c3)c3ccccc3Cl)s2)cc1
57755 CCc1cc(no1)C(=O)N1CCCC(CCC(=O)NCc2cccc(OC)c2)C1
57756 CC1CCN(CC1)c1ncnc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c12
57757 CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c12
57758 Cc1n[nH]c(C)c1CCCOc1ccccc1C
57759 Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1
57760 O=C(N1CCc2c([nH]c3ccccc23)C1c1ccccn1)c1cc(n[nH]1)-c1ccccc1
57761 Brc1cc(Br)c2=NC(=O)C(NNC(=O)CCCCCNC(=O)c3ccccc3)=c2c1 |c:28,t:5|
57762 C[C+]([N-]NC(=O)CNC(=O)c1cccnc1)c1cccc(c1)[N+]([O-])=O
57763 Cc1ccccc1CN=Nc1nc2ccccc2[nH]1 |w:9.10|
57764 CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
57765 Clc1cccc(c1)C(=O)Nc1nnc(o1)-c1ccccn1
57766 COc1ccc(NC(=O)C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
57767 [O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2nc3ccccc3s2)c1=O |w:11.11|
57768 COc1ccc(cc1)C(Nc1cc(C)ccn1)c1ccc2ccc(C)nc2c1O
57769 COc1ccc2cc(ccc2c1)C(=O)C1CCCN(Cc2cccc(C)n2)C1
57770 Cc1cc2NC(C)(C)c3ss\c(=N/c4ccc(cc4)S(N)(=O)=O)c3-c2cc1C
57771 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C1=NC(=S)NC(C1)c1ccc2OCOc2c1 |t:16,TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
57772 CCn1cnc2sc(C(=O)Oc3cccc(C)c3)c(C)c2c1=O
57773 NCCS(=O)(=O)NC1CCCCC1
57774 CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)o1
57775 CC(C)(C)c1csc(NNC(=O)c2ccc(Br)cc2)n1
57776 NC(=S)NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 |w:4.3|
57777 Cc1ccn2c(NC3CCCC3)c(nc2c1)-c1ccccn1
57778 Cc1ccc(Nc2nc(N=NCc3ccc4OCOc4c3)nc(n2)N2CCOCC2)cc1 |w:9.8|
57779 CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C
57780 Cc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1
57781 Cc1ccnc(NC(c2ccsc2)c2ccc3ccc(C)nc3c2O)c1
57782 CCOc1c(OC(C)=O)ccc(\C=C2/SC(=S)N(CC=C)C2=O)c1[N+]([O-])=O
57783 O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1ccccc1
57784 CCOC(=O)c1ccc(NC(=S)NN)cc1
57785 COc1cc(C=NNC(=O)c2cc(n[nH]2)-c2c(C)nn(c2C)-c2ccccc2)ccc1O |w:6.6|
57786 CCOC(=O)Cc1cc(=O)n2[nH]cc(-c3cccc(Br)c3)c2n1
57787 OC(=O)CCSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
57788 NC(=S)C(=NNc1ccc(cc1)S(=O)(=O)N1CCc2ccccc12)C#N |w:4.4|
57789 COc1ccc(cc1C)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)n1
57790 O=C(NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccco1
57791 CC(C)C(N=Nc1ccccc1[N+]([O-])=O)c1ccccc1 |w:4.3|
57792 CNc1nc(OC)nc(n1)N(CN1C(=O)c2ccccc2S1(=O)=O)C#N
57793 CC1CCN(CC1)c1nc(nc(n1)N1CCCCC1)N1CCCCC1
57794 CC(C)(C)C(=O)N1N=C(CC1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 |c:7|
57795 Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)c2cc(F)c(F)cc2Cl)C3=O)C(O)=O)s1 |t:7|
57796 COc1ccc(cc1)-c1cc2nc(cc(N3CCCC(O)C3)n2n1)-c1ccccc1
57797 CCc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1
57798 Cc1cnn(c1)-c1nc(cc(n1)-c1ccccc1)-c1ccccc1
57799 COc1ccc(CCNC(=O)C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)cc1OC
57800 COc1ccc(NC(=O)c2ccc3SCC(=O)Nc3c2)cc1S(=O)(=O)Nc1ccc(Br)cc1
57801 Cc1ncc(C=O)c(CNNC(=S)Nc2ccc(Cl)c(Cl)c2)c1O
57802 Oc1nc(N=NCc2cccs2)sc1Cc1ccc(Cl)c(Cl)c1 |w:4.3|
57803 CNS(=O)(=O)c1ccc(NC(=O)c2cnn3c(cc(nc23)-c2ccccc2)C(F)F)cc1
57804 Cc1cc(NC(=O)c2sccc2C)n(n1)-c1nc2ccccc2[nH]1
57805 [O-][N+](=O)c1cc(ccc1N[NH+]=C1C(=O)[N-]c2ccccc12)S(=O)(=O)Nc1cccc(Cl)c1 |w:10.10|
57806 CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1 |w:2.2|
57807 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)o1
57808 OCc1ccc(o1)-c1cccc(NC(=S)NC(=O)c2cccs2)c1
57809 CCCc1cc2c(cc(=O)oc2cc1OCc1ccc(o1)C(O)=O)-c1ccccc1
57810 CCCCc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1
57811 COCCCN1C(C)=C(C(=O)OC)\C(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)C1=O |t:7|
57812 Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccc(cc3)C(O)=O)ccc12
57813 CCCCNC(=O)c1ccc(NC(C)=O)c(Cl)c1
57814 FC(F)(F)c1cccc(Nc2nc(nc(n2)N2CCCC2)N2CCCC2)c1
57815 Clc1cccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1
57816 COc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl
57817 COc1ccc(CCNc2nc(cs2)-c2ccccn2)cc1OC
57818 COC(=O)CC1N(CCNC1=O)C(=S)Nc1ccc(Cl)cc1
57819 CC(=O)Oc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1
57820 Cc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1NC(=O)c1cc2ccccc2o1
57821 CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1 |w:2.2|
57822 Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccccc1
57823 COc1ccc(cc1)-c1nc(NC(C)=O)sc1-c1ccc(OC)cc1
57824 CC1CCN(CC1)c1ccccc1NC(=O)COc1ccccc1C
57825 CC(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1
57826 COc1ccc(N2CCN(CC2)C(=S)NC(=O)c2cccs2)c(c1)[N+]([O-])=O
57827 NC(=S)C(=NNc1ccc(cc1)S(=O)(=O)N1CCCCCC1)C#N |w:4.4|
57828 Clc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1
57829 Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(CC=C)c2O)cc1 |w:11.10|
57830 COc1ccc2nc(N=C(N)NC(=S)Nc3c(C)cccc3C)nc(C)c2c1 |w:8.7|
57831 CCC1C(NC(C(CC)C1N=O)c1ccccc1)c1ccccc1
57832 COc1ccc(cc1)C(NC(=O)C(C)C)c1ccc2cccnc2c1O
57833 Cc1cccc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)n1
57834 CCc1ccc(CN(C)Cc2nc(no2)-c2cccc(Cl)c2)nc1
57835 Cc1oc(nc1CN(CC1CCCO1)Cc1ccccn1)-c1ccc(F)cc1
57836 CCn1ccnc1CN1CCc2c([nH]c3ccccc23)C1C1CCCCC1
57837 COc1cccc(CN=Nc2cc(C)nc(n2)-c2ccccc2O)c1O |w:9.9|
57838 COc1ccc(O)c(c1)C(=O)CC(=O)c1ccccc1C
57839 CC(C)C(Sc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)C(O)=O
57840 Oc1ccc(Br)cc1CN=Nc1nc(nc(n1)N1CCOCC1)N1CCCCC1 |w:10.11|
57841 CCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
57842 CNC(=O)C(=C/c1cc(C)n(c1C)-c1ccc(cc1)N1CCOCC1)\C#N
57843 OC(=O)c1ccc(cc1)N1CCCCS1(=O)=O
57844 CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
57845 CCCn1c2ccccc2c(O)c(C(=O)Nc2ncccc2C)c1=O
57846 Cc1ccccc1-c1cc2nc(cc(=O)n2[nH]1)-c1ccc(cc1)[N+]([O-])=O
57847 C=CCSc1nc2ccccc2c(=O)n1Cc1ccccc1
57848 Cc1cc2nc(sc2cc1C)-n1c(O)c[nH]c1=S
57849 COc1ccc(cc1)C1=NOC(CNC(N)=S)C1 |t:9|
57850 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(CCC)NC(=S)NCC1CCCO1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
57851 Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccccc23)n1 |w:10.10|
57852 Clc1cc(NC(=S)NC(=O)c2cccs2)ccc1N1CCOCC1
57853 Cc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1 |t:6|
57854 CCC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 |w:3.3|
57855 S=c1[nH]c(SCc2ccccc2)nc2ccccc12
57856 C[n+]1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 |w:7.7|
57857 COC(=O)C=C1SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O |w:4.3,c:17|
57858 COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1
57859 Oc1nc(Nc2ccccn2)sc1Cc1ccc(Cl)cc1
57860 CC[n+]1c(\C=C2/Sc3ccccc3N2C)ccc2cccc(C)c12
57861 C(Cc1ccccc1)Nc1nc(cs1)-c1ccccn1
57862 Cc1ccc(cc1)C(=O)n1c(N)nc2ccccc12
57863 CC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1
57864 Clc1ccc(cc1)-c1csc(n1)N1CCN(CC1)C(=S)NCc1ccco1
57865 FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCn1ccnc1)-c1ccccc1
57866 [O-][N+](=O)c1cccc(CN=Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)c1 |w:10.10|
57867 Cc1ccccc1Nc1c(nc2c(C)cccn12)-c1ccccn1
57868 NNC(=O)CSc1nc(nc2CCCCc12)-c1ccccc1
57869 CCCCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1
57870 CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
57871 CCCCCc1ccc(OCCCC[n+]2ccccc2)c(CCCCC)c1
57872 [O-][N+](=O)c1cccn(Cc2ccc(F)cc2Cl)c1=O
57873 Clc1cccc(c1)N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
57874 COc1ccc(C=NNC(=O)c2cc(n[nH]2)C(C)(C)C)cc1COc1ccc(F)cc1F |w:7.7|
57875 O=c1n(CCc2ccccc2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
57877 COc1ccc(OC)c(CCNC(=O)C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1
57878 Cc1cccc(N2CCN(CC2)C(=O)c2ccc3nc(sc3c2)N2CCCCC2)c1C
57879 Cc1ccc(Nc2nc3nonc3[nH]c2=O)cc1Cl
57880 Oc1c(Br)cc(Br)c2ccc[n+]([O-])c12
57881 Fc1cccc(F)c1CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Cl)cc1
57882 CN1C(=O)\C(Sc2ccc(cc12)C(=O)NCc1cccnc1)=C\c1ccccc1Cl
57883 Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccc(F)cc1 |c:11,17|
57884 CCOc1ccc(cc1)-n1c(C)cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c1C |c:22,28|
57885 Fc1ccc(Cn2cccc2C2=NC(CO2)c2ccccc2)cc1 |t:12|
57886 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)c1ccc(COc3cccc(Cl)c3Cl)o1)C2=O)C(O)=O |t:5|
57887 Cc1cccc(C)c1-n1cccc1\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O |(3.08,-1.79,;4.41,-2.56,;4.41,-4.1,;5.75,-4.87,;7.08,-4.1,;7.08,-2.56,;8.41,-1.79,;5.75,-1.79,;5.75,-.25,;4.5,.65,;4.98,2.12,;6.52,2.12,;6.99,.65,;8.46,.18,;9.6,1.21,;9.44,2.74,;10.85,3.37,;11.17,4.87,;11.88,2.22,;11.11,.89,;11.74,-.52,;13.41,2.38,;14.04,3.79,;15.57,3.95,;16.47,2.7,;15.85,1.3,;14.32,1.14,;16.75,.05,;18.28,.21,;16.13,-1.36,)|
57888 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)c1ccc(F)cc1)C2=O)C(O)=O |t:5|
57889 Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)c2cc(C)cc(C)c2)C3=O)C(O)=O)s1 |t:7|
57890 Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)c2cccc(F)c2F)C3=O)C(O)=O)s1 |t:7|
57891 COc1ccc(NC(=O)c2c[nH]n3c2nc(cc3=O)C2CCN(CC2)C(=O)OC(C)(C)C)cc1Cl
57892 CC(C)(C)OC(=O)N1CCC(CC1)c1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)c(Cl)c3)c2n1
57893 COc1cc(\C=C2\CC\C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
57894 CC(N=Nc1nc(nc(n1)N1CCCCCC1)N1CCCCCC1)c1ccccc1 |w:3.3|
57895 Fc1ccccc1NC(=S)NN=C1C(=O)N(Cc2cccc(Cl)c2)c2ccccc12 |w:11.11|
57896 CN(C(=O)Cc1c(C(O)=O)n(C)c2ccccc12)c1ccc(F)cc1
57897 Cc1cc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(cc2)C(O)=O)ccc1Cl
57898 CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1
57899 Fc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc12 |w:11.11|
57900 CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CSC)o1
57901 CCc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=Cc1c[nH]c2ccccc12 |w:16.17|
57902 NC(=NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|
57903 COc1ccc(Oc2nc(ncc2OC)-c2ccccn2)cc1
57904 COc1ccccc1Sc1nc(ncc1OC)-c1ccccn1
57905 COc1cnc(nc1Oc1ccccc1)-c1ccccn1
57906 NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
57907 O=S(=O)(Cc1cc(NCc2ccccc2)nc(n1)-c1ccccn1)c1ccccc1
57908 COc1ccc(cc1)-c1ncn(CCC#N)c1[N+]([O-])=O
57909 COc1cnc(nc1Oc1c(C)cccc1C)-c1ccccn1
57910 CC(C)Nc1cc(CSc2ccccc2)nc(n1)-c1ccccc1
57911 CC(C)OC(=O)c1cccnc1N1CCN(CC1)c1cccc(Cl)c1
57912 CN1c2ccsc2C(NNc2ccccc2)=CS1(=O)=O |c:17|
57913 Nc1nc(nc(N)c1Cc1ccccc1F)-c1ccccn1
57914 Cl\C(C(=O)Nc1ccccc1Cl)=C(\Cl)S(=O)c1ccccc1
57915 Cc1ccc(NN=C(C=O)C(=O)c2ccc(Cl)cc2)cc1 |w:6.5|
57916 COc1ccc(cc1)-c1n[nH]cc1N=Nc1cc(C)cc(C)c1 |w:14.16|
57917 CC(C)(C)NC(=O)C1CC2CCCCC2CN1
57918 FC(F)(F)c1ccc(CON=CC2C(=O)CC3N(CCc4ccccc34)C2=O)cc1
57919 Clc1ccc(CON=CC2C(=O)CC3N(CCc4ccccc34)C2=O)c(Cl)c1
57920 Nc1ccc(cc1)-c1cn2cccnc2n1
57921 Cc1cc2nc(CSc3ccccc3)cc(=O)n2[nH]1
57922 CC(C)(C)c1nc(NC(=O)Nc2ccccc2)sc1Br
57923 Cc1cccc(Cn2nc(-n3cccc3)c3c(C)cc(C)nc23)c1
57924 Clc1ccc(cc1)-c1c[nH]n2c1nc1CCCc1c2=O
57925 Cc1ccc(F)c(NC(=O)C(C#N)C(=O)c2ccc(cc2)C(C)(C)C)c1
57926 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2cccc(c2)C(F)(F)F)CC1
57927 Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
57928 O=C1N(Cc2ccccc2)\C(S\C1=C/c1cccnc1)=N\Cc1ccccc1
57929 CCOC(=O)c1cccc(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(C(O)=O)c3=O)c1
57930 OC(=O)COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)cc1 |w:11.11|
57931 Fc1ccc(NC(=O)c2nc3n(Cc4cccc5ccccc45)nnc3c(=O)[nH]2)cc1
57932 CC\N=C1\S\C(=C/c2ccc(o2)-c2cccc(c2)C(O)=O)C(=O)N1CC
57933 Fc1ccc(CN2C(=O)C(=NNC(=S)Nc3ccccc3F)c3ccccc23)cc1 |w:10.10|
57934 COc1ccc2cc(C(=O)NCc3ccccc3)\c(=N\c3ccc(cc3)C(O)=O)oc2c1
57935 C1CCN(CC1)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1
57936 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
57937 CCCCCCCCCCCC(=O)c1c(O)cccc1O
57938 C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4|
57939 [O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc(cc2)[N+]([O-])=O)o1
57940 O=Nc1c2ccccc2c2n[nH]c(cc12)-c1ccccc1
57941 CN1c2ccsc2C(NNc2ccc(C)cc2)=CS1(=O)=O |c:18|
57942 OC(=O)c1ccc(cc1)N=CCc1onc(c1C#N)-c1c(Cl)cccc1Cl |w:9.9,(6.1,8.44,;5.2,7.2,;3.66,7.36,;5.82,5.79,;7.35,5.63,;7.98,4.22,;7.08,2.98,;5.54,3.14,;4.92,4.55,;7.7,1.57,;6.8,.33,;7.42,-1.08,;6.52,-2.33,;4.98,-2.33,;4.5,-3.79,;5.75,-4.7,;6.99,-3.79,;8.46,-4.27,;9.92,-4.74,;5.75,-6.24,;4.41,-7.01,;3.08,-6.24,;4.41,-8.55,;5.75,-9.32,;7.08,-8.55,;7.08,-7.01,;8.41,-6.24,)|
57943 Cc1cc(C)n(n1)C(=O)C(N=Nc1cc(Cl)cc(Cl)c1)C#N |w:11.12|
57944 Fc1ccc2nc(NC(=O)c3ccccn3)sc2c1
57945 COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1c(Cl)nc2ccccn12
57946 CC(=N)C(C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1
57947 O=C(Nc1nc(cs1)-c1ccccn1)\C=C\c1ccco1
57948 COC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1
57949 O=C(Nc1nc(cs1)-c1ccccn1)c1ccco1
57950 CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
57951 Cc1nc(N2CCN(Cc3ccc4OCOc4c3)CC2)c2cc(sc2n1)-c1ccccc1
57952 COc1cccc(OC)c1C(=O)Nc1cc(C)nn1-c1nc2ccccc2[nH]1
57953 Cc1ccc(cc1)C(=O)\C=C\C(=O)c1ccc(C)cc1
57954 FC(F)Sc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1
57955 CC(=NNC(=S)NCc1ccccc1)c1cccc(Br)c1 |w:2.2|
57956 CC(C)(C)c1ccccc1OCCCCCn1ccnc1
57957 CC1=CC(CC(C)(C)C1)=NNC(=S)NCCc1ccccc1 |w:9.10,t:1|
57958 CC(N=Nc1nc2ccccc2[nH]1)c1ccc2OCOc2c1 |w:3.3|
57959 [#6]-[#8]-c1cccc(-[#7]-[#6](=S)-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
57960 Cc1cs\c(=[NH+]/c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
57961 CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)NC(=O)c1ccc(OC)cc1
57962 COc1cc(ccc1OCCC(C)C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
57963 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)Nc1nc2ccccc2n1CCC |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:3:9:1.11.8|
57964 CCCn1c(NC(=O)c2ccccc2Br)nc2ccccc12
57965 CC(=N)C(C#N)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C
57966 Cc1cccc2nc(COc3ccc4ccccc4c3Br)cn12
57967 Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccccc1Br
57968 CC(NS(=O)(=O)\C=C\c1ccccc1)C(O)=O
57969 COc1ccc(O)c(c1)C(=O)c1coc(=N)c(c1)C(=O)Nc1ccc(SC(F)F)cc1
57970 Cn1c(N)c(C(=O)COC(=O)C=Cc2ccc(OC(F)F)cc2)c(=O)n(C)c1=O |w:12.12|
57971 Oc1c(cc(Cl)c2cccnc12)C(N1CCCCC1)c1ccccn1
57972 OC(=O)c1ccc(NC(=O)\C=C\c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
57973 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=NN(C(=O)CC1)c1cccc(C)c1 |t:23|
57974 O=c1[nH]c(CN2CCC(=CC2)c2ccccc2)nc2scc(-c3ccccc3)c12 |c:8|
57975 CN(CC(=O)Nc1ccc(C)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
57976 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
57977 CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C
57978 Oc1ccc(CN=Nc2ccc3ccccc3c2)c(O)c1 |w:7.7|
57979 Cc1nc(NS(=O)(=O)c2ccc(Cl)s2)c2c3CCCCc3sc2n1
57980 CN1CC(=O)N(CC(=O)Nc2cc(ccc2C)S(=O)(=O)N2CCCCC2)C1=O
57981 C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(C)cc1)c1ccccc1
57982 COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCC2CCCO2)ccc1C
57983 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)Nc1nc(cs1)-c1ccccn1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:1:9:3.12.5|
57984 CC(C)Cn1c2nc(CC(C)(C)C)[nH]c(=S)c2c(=O)n(C)c1=O
57985 O=c1n2CCCc2nc2sc(cc12)-c1ccccc1
57986 Cc1nnc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)[nH]c1=O
57987 Cc1ccc2ccc(C(Nc3cccc(c3)C(F)(F)F)c3cccnc3)c(O)c2n1
57988 Fc1ccccc1NC1=NN=C(CS1)c1ccccc1 |c:11,t:9|
57989 Cc1ccc2nc(N=C(NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)sc2c1 |w:7.6|
57990 Cc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|
57991 CCOc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:12,19|
57992 Cc1nn(c(Cl)c1\C=C1/SC(=S)N(CCCCCC(O)=O)C1=O)-c1ccccc1
57993 CCOC(=O)c1sc2nc(Cc3ccc(Cl)cc3)[nH]c(=S)c2c1C
57994 Oc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1cccs1
57995 Cc1cc(C)nc(N=NCc2cc(Br)ccc2O)n1 |w:7.6|
57996 Oc1cccc(C=NN(Cc2ccccc2)c2ccccc2)c1
57997 Oc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 |w:6.6|
57998 COc1ccc(cc1)C1=N\C(=C/c2c(C)[nH]c3ccccc23)C(=O)O1 |t:9|
57999 CCc1ccc(NC2=NCC(S2)c2ccccc2)cc1 |t:7|
58000 COc1ccc(cc1OC)C(=O)NCC(=O)OCC(=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:22|
58001 COCCn1c(N)c(C(=O)NS(=O)(=O)c2ccc(C)cc2)c(=O)[nH]c1=O
58002 CN(Cc1ccc(OC(F)F)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
58003 Cc1sc2nc([nH]c(=O)c2c1-c1ccccc1)-c1ccccn1
58004 O=c1[nH]c(nc2sc(cc12)-c1ccccc1)-c1ccccn1
58005 COc1ccc(OCCCC(=O)Nc2nc(cs2)-c2ccccn2)cc1
58006 Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
58007 Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(C)(C)C)c2n1
58008 CC(C)C(NC(=O)c1cccc(C)c1)C(=O)Nc1nc(cs1)-c1ccccn1
58009 COCCn1c(SCc2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)nc2ccccc12
58010 COCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
58011 Clc1ccc(NC(=O)NC2=CC(=O)CCC2)cc1Cl |t:9|
58012 S=c1[nH]c(cn1N=Cc1cccc2ccccc12)-c1ccccc1 |w:6.6|
58013 COc1ccc(Cc2n[nH]c(=S)n2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
58014 S=C1NC[C@H](CC2CCCCC2)N1CC1CCCCC1
58015 Brc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1
58016 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1
58017 CC(C)=CCCC1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1 |c:27,(17.77,-5.27,;16.62,-4.24,;15.16,-4.72,;16.94,-2.73,;15.79,-1.71,;16.1,-.2,;14.96,.83,;16.42,1.31,;14.45,2.35,;12.87,2.66,;12.4,4.12,;13.43,5.27,;10.89,4.44,;9.86,3.3,;10.34,1.83,;9.1,.94,;7.86,1.84,;6.3,1.48,;5.23,2.66,;3.72,2.33,;5.72,4.17,;7.28,4.49,;8.33,3.29,;11.84,1.51,;12.32,-.02,;13.88,-.37,)|
58018 O=c1[nH]c(CN2CCC(=CC2)c2ccccc2)nc2scc(-c3cccs3)c12 |c:8|
58019 Cc1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
58020 COc1ccc(C=Nn2c(C)nc3c4ccccc4[nH]c3c2=O)cc1CN1CCCC(C)(C)C1
58021 COc1ccc(Oc2c[nH]nc2-c2ccc(OCC(C)=C)cc2O)cc1
58022 COc1ccc2[nH]c3c(nc(C)n(N=Cc4ccc(OC)c(CN5CCCC5)c4)c3=O)c2c1
58023 CC(C)Cc1csc(NC(=O)c2ccc(Br)cc2)c1C(O)=O
58024 COc1ccc(cc1)C(=O)CSc1[nH]c(=O)cc(c1C#N)C(F)(F)F
58025 CCOC(=O)C1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:12|
58026 COc1ccccc1CN1CN(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
58027 Cc1nn2c(SCC(=O)c3ccc(O)c(O)c3)cc(C)nc2c1-c1ccccc1
58028 Cc1ccc(cc1)N=Nc1ccc(O)c(c1)P(=O)(c1ccccc1)c1ccccc1 |w:8.9|
58029 CCCCOC(=O)c1ccc(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(C(O)=O)c3=O)cc1
58030 COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O
58031 CCOC(=O)C1=C(N)c2ccccc2CC1C1CCCC1 |c:5|
58032 Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
58033 CC(C)CN(CC(C)C)Cc1cc(=O)oc2cc(c(O)cc12)-c1ccccc1
58034 COC(=O)C1(C(C[N+]([O-])=O)c2ccc(C)cc2)C(CNC1=O)c1ccco1
58035 CCOP(=O)(Cc1ccc(o1)C(=O)CC)OCC
58036 CC(=O)Nc1ccc(cc1)C1C(=O)c2ccccc2C1=O
58037 COc1cc(c[c-](\C=[NH+]\NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1=O)[N+]([O-])=O
58038 Clc1ccc(cc1)-[n+]1c([nH]c2nc3ccccc3nc12)-c1cccc(Br)c1
58039 COc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
58040 [O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8|
58041 CC(C)c1ccc2[nH]c3c(CCCC3=NNC(=O)c3ccncc3)c2c1 |w:14.15|
58042 Oc1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccccc1
58043 CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(N=NCc2ccc(O)cc2)n1 |w:16.16|
58044 O=C(NCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
58045 COCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc12
58046 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccc(c3)S(N)(=O)=O)c2c1
58047 O=C(CNc1cccc2ccccc12)NN=Cc1ccc[nH]1 |w:15.16|
58048 CCCCCCCCCCCCn1ccc(=N)cc1
58049 Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)no1
58050 COc1cccc(c1)N=NCc1cccc(Br)c1O |w:8.8|
58051 Cc1ccc2c(c1)nc(Nc1nc(C)cc(n1)-c1ccccc1)[nH]c2=O
58052 CC(N=Nc1nc(nc2ccccc12)-c1ccccc1F)c1ccccc1O |w:3.3|
58053 CC(Nc1nc(nc2ccccc12)-c1ccccc1O)c1ccccc1
58054 CC(C)c1ccc(Nc2[nH]nc(C)c2[N+]([O-])=O)cc1
58055 Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CCCCc3sc2n1
58056 NC(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:4.4|
58057 CC1=CC(C)(C)N2C(=O)\C(=N/N)c3c2c1cc(C)c3C |t:1|
58058 Cc1nc2ccccc2c(=O)n1N=Cc1ccc2ccccc2c1O |w:12.13|
58059 O=c1[nH]c(CSc2ncnc3sccc23)nc2ccccc12
58060 CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:11|
58061 CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
58062 CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
58063 Nc1nc(Nc2ccc(Cl)cc2)nc(NCc2ccco2)c1[N+]([O-])=O
58064 CC1(C)C2(C)CCC1([C@H](Br)C2=O)C(=O)Nc1cccc(Cl)c1Cl |TLB:11:10:1:6.5,THB:9:8:1:6.5|
58065 CCOc1cc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)ccc1O |w:8.8|
58066 CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1
58067 Cc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1 |w:7.6|
58068 Cc1nn2c(NCc3ccccn3)cc(nc2c1-c1ccccc1)C(C)(C)C
58069 CCC(CC)c1nn2c(N)c(\C=C3/C(C)=Nc4ccccc34)c(=O)nc2s1 |c:14|
58070 COCCCN1C(=S)S\C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)C1=O
58071 null
58072 CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
58073 CC(C)Nc1cc(nc2c(cnn12)-c1ccccc1)C(C)(C)C
58074 Nc1nc(Nc2cccc(Cl)c2)nc(NCc2ccco2)c1[N+]([O-])=O
58075 CCCc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
58076 CC(C)c1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
58077 Cc1ccccc1Oc1nc(nc2ccccc12)-c1ccccn1
58078 O(c1ccccc1)c1nc(nc2ccccc12)-c1ccccn1
58079 Fc1cc(F)c(C2SCCN2C(=S)Nc2cccc(c2)C(F)(F)F)c(F)c1
58080 Cc1cccc(Oc2nc(nc3ccccc23)-c2ccncc2)c1
58081 COc1ccc(Oc2nc(nc3ccccc23)-c2ccccn2)cc1
58082 CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1
58083 CC(C)CN(CC(C)C)Cc1cc(=O)oc2cc3CCCCc3cc12
58084 CCC(Nc1ccc(cc1)N(C)C)=C1C(=O)NC(=O)N(CC=C)C1=O |w:2.2|
58085 CC(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
58086 [H]C12CC3([H])CC(C1)(CC([H])(C2)CC3)C(=O)NN\C=C1/C=C(C=C(Br)C1=O)[N+]([O-])=O |c:23,t:25,TLB:12:9:7:3.5.2,THB:2:1:8:3.5.12.13,2:3:8:1.7.11,13:3:7:9.8.11|
58087 COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)C2CCCCC2)cc1
58088 Cc1ccc(O)c(c1)C1CC(N=N1)c1ccc(Cl)cc1 |c:12|
58089 CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1
58090 Nc1ccc(\N=N\c2ccccc2)c2ccccc12
58091 c1ccc(cc1)-c1nc(oc1-c1ccccc1)-c1nccc2ccccc12
58092 CCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC
58093 CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
58094 c1ccc(cc1)-n1c2ccccc2c2ccccc12
58095 C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1
58096 OC(COc1cccc2ccccc12)CN1CCN(CC1)c1ccc(Cl)cc1
58097 CC1CC2C3C=C(C)C4=Cc5c(C[C@]4(C)C3C(O)C[C@]2(C)[C@@]1(O)C(C)=O)cnn5-c1ccccc1 |t:5,8|
58098 OC(COc1cccc2ccccc12)CN1CCN(CC1)c1cccc(Cl)c1
58099 C[C@]12CCC3C(CCC4CC(O)CC[C@]34C)C1CCC2c1cc(n[nH]1)C(F)(F)F
58100 CSc1cccc(NC(=O)OC2CCCCCCCCCCC2)c1
58102 FC(F)(F)c1cccc(c1)-c1nc2nc(Cl)c(Cl)nc2[nH]1
58103 Clc1ccc(C=Cc2nc(Cl)c(c(Cl)n2)-c2ccc(Cl)cc2)cc1
58104 CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccccc2O)C1=O |(7.68,6.81,;7.36,5.31,;5.96,4.68,;4.62,5.45,;6.12,3.15,;7.62,2.83,;8.25,1.42,;7.34,.18,;5.8,.18,;5.33,-1.29,;3.86,-1.76,;6.57,-2.19,;7.82,-1.29,;9.28,-1.76,;6.57,-3.73,;7.91,-4.5,;7.91,-6.04,;6.57,-6.81,;5.24,-6.04,;5.24,-4.5,;3.91,-3.73,;8.39,4.16,;9.92,4.32,)|
58105 CC(C)c1ccc(C)c(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
58106 Oc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
58107 OCC[N+](=O)[CH-]c1ccc(o1)[N+]([O-])=O
58108 Oc1c(Cl)cc(Cl)cc1C=Nc1cc(ccc1N1CCc2ccccc2C1)C(F)(F)F |w:10.11|
58109 Clc1c(sc2ccccc12)C(=O)N1\C(SC(=C)C11CCCCC1)=N\c1ccccc1Cl
58110 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
58111 CCCc1nc2oc3c(Cl)ncnc3c2c2CCCCc12
58112 CC(C)C(=O)NC(N)=Nc1nc(C)c2cc(C)c(C)cc2n1 |w:8.8|
58113 Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1
58114 CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(CCCC)C1=O |w:10.9|
58115 Clc1ccc(cc1)-c1csc2nc[nH]c(=S)c12
58116 CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(C(C)CC)C1=O |w:10.9|
58117 CCN(CC)CCNC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1NCCO
58118 CCc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)n(C2CCCCC2)c1=O
58119 COc1ccc(\C=C\C(=O)NC(=S)N2CCN(CC2)c2ccccc2OC)cc1
58120 Nc1nc(N)c(\C=N\c2ccc(Br)cc2)c(Nc2ccc(Br)cc2)n1
58121 CC(N=Nc1nc2ccc(Cl)cc2o1)c1ccccc1 |w:3.3|
58122 COc1ccc(cc1)-n1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O
58123 CCCCCCCCCCCCOC(=O)C[N+](C)(C)C
58124 Nc1ccc(cc1)-c1nc2nc(N)nc(N)c2nc1-c1ccc(N)cc1
58125 NC(N)=c1ccc(=C\C=C2/C=CC(=CC2=O)C(N)=N)cc1 |c:10,12,(5.33,15.58,;4,14.81,;2.67,15.58,;4,13.27,;5.33,12.5,;5.33,10.96,;4,10.19,;4,8.65,;2.67,7.88,;2.67,6.34,;4,5.57,;4,4.03,;2.67,3.26,;1.33,4.03,;1.33,5.57,;,6.34,;2.67,1.72,;4,.95,;1.33,.95,;2.67,10.96,;2.67,12.5,)|
58126 Clc1ccc2nc(NP(=O)(c3ccccc3)c3ccccc3)sc2c1
58127 COc1cc(ccc1NC(=O)NC1CC1)-c1ccc(NC(=O)NC2CC2)c(OC)c1
58128 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)C(=O)CC(=O)c1ccc(C)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
58129 CCn1c(SCC(=O)Nc2oc(c(c2C#N)-c2ccccc2)-c2ccccc2)nnc1-c1ccco1
58130 CC(N=Nc1cc(C)nc(n1)-c1ccccc1O)c1ccccc1O |w:3.3|
58131 OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
58132 NC(=S)C(=NNc1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N |w:4.4|
58133 FC(F)(F)c1cc(CCN2[C@@H](CC3CCCCC3)CNC2=S)cc(c1)C(F)(F)F
58134 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)o1
58135 O=C(N1CCCCC1)c1ccc2c3OCc4ccccc4-n3nc2c1
58136 O=C(Nc1nc(cs1)-c1ccccn1)c1cccc(c1)-n1cnnn1
58137 Oc1ccc(NC=C2C(=O)N(Cc3ccccc3)C(=O)c3ccccc23)cc1 |w:6.5|
58138 CC(=O)Nc1sc(NC(=O)c2ccc(cc2)[N+]([O-])=O)nc1-c1cccs1
58139 Brc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)s1 |w:6.6|
58140 CCOc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
58141 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)cc1 |w:6.6|
58142 Clc1cccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)c1 |w:7.7|
58143 COc1cc(C=C2SC(Nc3cccnc3)=NC2=O)cc(OC)c1OC |w:5.4,c:16|
58144 CC(C)(C)c1cc([nH]n1)C(=O)NN=Cc1ccc(s1)[N+]([O-])=O |w:12.12|
58145 COc1cccc(c1)-n1c(O)c2[nH][nH]c(C(=O)CN3C(=O)c4ccccc4C3=O)c2c1=O
58146 CC(C=CC=Cc1ccccc1)=NNC(=O)c1ccc2OCCOc2c1 |w:12.13,5.5,2.1|
58147 COCCn1c(nc2oc3cc(OC)ccc3c(=O)c2c1=O)-c1cc(OC)c(OC)c(OC)c1
58148 OC(=O)c1ccccc1NC(=O)CN1C(=O)S\C(=C/C=C/c2ccccc2)C1=O
58149 Oc1ccccc1N=Cc1c(O)ccc2oc3CCCCc3c12 |w:7.7|
58150 CC(=NNC(=O)CSc1[nH]c(C)nc1[N+]([O-])=O)c1ccc(F)cc1 |w:2.2|
58151 COc1ccc(OC)c(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1 |w:10.10|
58152 NC(=O)NN=C(CCCCCCC(=NNC(N)=O)c1ccccc1)c1ccccc1 |w:4.3,13.13|
58153 COc1ccc(cc1OC)C1c2ccc(O)cc2Oc2ncn3nc(nc3c12)-c1ccncc1
58154 Cc1cccc2[nH]c3c(ncnc3c12)N1CCC(=CC1)c1ccc(F)cc1 |c:20|
58155 Nc1nc(NC(=O)\C=C\c2ccc(F)cc2)nn1-c1ccccc1
58156 COc1c[c-](C[NH+]=Nc2nc3ccccc3s2)cc([N+]([O-])=O)c1=O |w:7.7|
58157 CCOc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
58158 CCC(C)c1ccc(cc1)C1C2=C(Nc3[nH]c(N)nc(=O)c13)c1ccccc1C2=O |c:12|
58159 O=C1N=C(Nc2ccccc2)SC1=Cc1c[nH]c2ccccc12 |w:13.15,t:2|
58160 CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
58161 Cc1cc(C=C2SC(S)=NC2=O)c(C)n1-c1cccc(O)c1 |w:4.3,c:8|
58162 Oc1c(C(=O)C=Cc2c[nH]c3ccccc23)c(=O)[nH]c(=O)n1CCc1ccccc1 |w:6.6|
58163 Cc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
58164 CSc1n[nH]c2nc3-c4ccccc4CC4(CCCCC4)c3c(=O)n12
58165 COc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:11,18|
58166 Cc1[nH]c2ccccc2c1CN=Nc1nc2ccccc2[nH]1 |w:11.12|
58167 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1
58168 Fc1ccc(Br)cc1C1CC(=Nc2ncnn12)c1ccc(Br)s1 |c:11|
58169 [H][C@]12CN(Cc3cccnc3)[C@H](c3ccccc3)C11CC(C1)(C2c1ccc(cc1)C(F)(F)F)c1cccnc1 |wU:1.0,11.12,(8.28,.05,;9.34,-.72,;8.11,-1.62,;8.58,-3.08,;7.68,-4.32,;6.14,-4.16,;5.24,-5.41,;3.71,-5.25,;3.08,-3.84,;3.99,-2.59,;5.52,-2.75,;10.11,-3.08,;11.01,-4.32,;10.39,-5.73,;11.29,-6.98,;12.82,-6.82,;13.45,-5.41,;12.55,-4.17,;10.59,-1.62,;10.54,-.3,;11.36,.75,;11.83,-.72,;9.82,.75,;8.91,1.99,;9.54,3.4,;8.63,4.65,;7.1,4.49,;6.48,3.08,;7.38,1.83,;6.2,5.73,;5.29,6.98,;4.95,4.83,;7.44,6.64,;11.83,2.21,;13.34,2.53,;13.82,4,;12.79,5.14,;11.28,4.82,;10.8,3.36,)|
58170 O=C(NCCc1ccccc1)\C=C\c1ccccc1
58171 [H]C12CCC(C)(C(C1)OC(=O)\C=C\c1ccc(O)c(OC)c1)C2(C)C |TLB:8:6:22:3.2|
58172 null
58173 COc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)C1[C@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(OC)cc1
58174 FC(F)(F)c1cccc(Nc2nc(cs2)-c2cccc(NC(=O)c3ccccc3)c2)c1
58175 FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1csc(Nc2ccccc2)n1
58176 Clc1ccc(Nc2nc(cs2)-c2cccc(NC(=O)c3ccccc3)c2)cc1
58177 [O-][N+](=O)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
58178 COc1cc(cc(OC)c1OC)C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
58179 [O-][N+](=O)c1ccc(cc1)\[NH+]=N\[C-](C#N)C#N
58180 Oc1nc(N=NCc2ccccc2O)sc1Cc1ccc(F)cc1 |w:4.3|
58181 NNC(=O)c1ccc(OCC2CC(=NO2)c2ccc(Cl)cc2)cc1 |c:12|
58182 COc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
58183 COc1ccc(cc1)-c1nc2cc(ccc2n1CCCn1c(nc2cc(ccc12)C(O)=O)-c1ccc(N)cc1)C(F)(F)F
58184 Brc1ccc(Nc2ncnc3n[nH]cc23)cc1
58185 Cc1ccc(cc1)-c1nc2[nH]c(=O)cc(NC(=O)c3cccs3)n2n1
58186 Cc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
58187 CC(C)(C)c1cc(C(=O)NNc2cc(ccc2Cl)C(F)(F)F)n(Cc2ccccc2)n1
58188 Cc1ccc(NNC(=O)c2cc(nn2Cc2ccccc2)C(C)(C)C)cc1
58189 Fc1ccc(cc1)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1
58190 Nc1nc(Sc2ccc(Cl)cc2)c(C#N)c(-c2ccccc2Cl)c1C#N |(4.41,-.77,;5.75,,;7.08,-.77,;8.41,,;9.75,-.77,;9.75,-2.31,;8.41,-3.08,;8.41,-4.62,;9.75,-5.39,;9.75,-6.93,;11.08,-4.62,;11.08,-3.08,;8.41,1.54,;9.75,2.31,;11.08,3.08,;7.08,2.31,;7.08,3.85,;5.75,4.62,;5.75,6.16,;7.08,6.93,;8.41,6.16,;8.41,4.62,;9.75,3.85,;5.75,1.54,;4.41,2.31,;3.08,3.08,)|
58191 Cc1ccc(NNC(=O)C2CCC2)cc1C
58192 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1Cl
58193 [O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
58194 Cc1noc(C)c1-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1
58195 FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1
58196 COC(=O)c1cnc(Oc2ccc(NC(=O)NC(=O)c3c(F)cccc3Cl)cc2)cc1C(F)(F)F
58197 COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F
58198 COc1ccc(cc1)C1N(CCc2sccc12)C(=O)C(C)(C)C
58199 [H]C12CC(NC(=S)NN=Cc3ccc(OCC)cc3)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
58200 COCCCNC(=S)NNC(=S)Nc1cccc(Cl)c1
58201 CN(N=Cc1ccc(Cl)cc1Cl)c1ncc(Cl)cc1C(F)(F)F
58202 COc1ccc(cc1COc1cc(C)c(Cl)c(C)c1)C(C)=O
58203 [H]C12CC(NC(=S)NN=Cc3ccc(OCC)cc3)C([H])(C1)C1C=CCC21 |c:25,TLB:23:22:21:3.2,THB:4:3:26.22:21,25:26:21:3.2|
58204 Clc1cc(Cl)cc(NC(=S)NCc2cccs2)c1
58205 Nc1cc(nn1-c1ccc(Cl)c(Cl)c1)-c1ccc(OC(F)(F)F)cc1
58206 Cc1oc(cc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(C)(C)C
58207 CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(Cl)ccc2Cl)c1Cl
58208 Clc1ccccc1Sc1ccc(s1)-c1ccccn1
58209 Fc1ccc(cc1)C(=O)NNC1=Nc2ccccc2SC1 |t:12|
58210 [O-][N+](=O)c1cc(NC(=O)Nc2cccc(Cl)c2)cs1
58211 Nc1sc(cc1C(=O)NN=Cc1ccc(Cl)cc1)-c1ccccc1
58212 CC(=NNC(=S)NCC(C)(C)C)c1cc(F)cc(F)c1O |w:2.2|
58213 CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc2OCCc2c1
58214 COc1ccc(cc1)C(=O)CSc1nc(nc(C)c1Cl)-c1ccccn1
58215 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Br)c(c1)C(F)(F)F
58216 CC1(C)c2ccccc2-n2c1cc1oc(O)cc(=O)c1c2=O
58217 Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)Nc1ccc(Br)cc1Cl
58218 NC(=S)C(=NNc1ccc(Cl)cc1)C#N |w:4.4|
58219 CC(C)(C)c1cc(C(=O)Nc2ccc(F)cc2)n(Cc2ccc(F)cc2)n1
58220 FC(F)(F)c1ccc(cc1)-c1noc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)n1
58221 CC(C)(C)c1ccc(s1)C(=O)Nc1ccc(F)cc1
58222 FC(F)(F)c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
58223 FC(F)(F)Oc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1
58224 COC(=O)c1sc(cc1NC(=O)CSCC(O)=O)-c1ccc(cc1)C(C)(C)C
58225 S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:11.12|
58226 Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)c2ccccc2)c1=O
58227 Nc1[nH]nc(C2CC2)c1N=Nc1ccc(Cl)c(Cl)c1 |w:9.10|
58228 CN(C)\C=C1/SC(=S)N(C1=O)c1ccc(Br)cc1
58229 CC(C)c1ccc(cc1)N1C(=S)S\C(=C/N(C)C)C1=O
58230 Clc1ccc(NC(=O)NNC(=O)CN2c3ccccc3Sc3ccccc23)cc1Cl
58231 Cc1ccc(Sc2cc(C)nc(n2)-c2ccccn2)cc1
58232 FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1
58233 NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4|
58234 CCCCCCCCCCCCN1C(SCC1=O)c1cccnc1
58235 CCC(C)Sc1cc(c(cn1)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F
58236 Cc1ccc(cc1)C1=NN(CCO)\C(SC1)=N\c1ccc(OC(F)(F)F)cc1 |t:8|
58237 Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)-n1cccc1
58238 [H]C12CCC([H])(C1)C(C2)NC(=S)NN=Cc1ccccc1O |w:13.14,TLB:9:7:6:3.2|
58239 [H]C12CC(NC(=S)NN=Cc3ccccc3O)C([H])(C1)C=C2 |w:8.7,c:22,THB:4:3:19:20.21|
58240 Fc1ccc(NC(=O)Nc2csc3ccccc23)cc1Cl
58241 Cc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 |w:13.15|
58242 COc1ccc(cc1)-c1c([nH]n2c1nc(cc2=O)-c1ccccc1)C(F)(F)F
58243 Clc1cccc(NC(=O)NNC(=O)CN2c3ccccc3Sc3ccccc23)c1
58244 CC(C)n1cnc2c(NCc3ccccc3)nc(NCc3ccccc3)nc12
58245 COc1ccc(cc1)C(CC(=O)N1CCCC(C)C1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
58275 null
58327 CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
58328 Cn1c(NC(=O)c2ccccc2)nc2ccccc12
58329 CCOC(=O)C1C(c2ccc(O)cc2)c2c(OC1=N)ccc1ccccc21
58330 Oc1ccc(Cl)cc1CNc1nc2ccccc2n1CC=C
58331 Oc1ccc(Cl)cc1CNc1cccc2cccnc12
58332 CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(=O)CCl)c21)C(C)(C)C
58333 CCCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
58334 CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(OC)c(O)c(OC)c2)cc1 |w:13.14,t:7|
58335 CCOC(=O)c1ccc(Nc2nc(C)nc3n(Cc4ccccc4)nnc23)cc1
58336 CCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
58337 CCN(CC)c1nc(nc2n(Cc3ccccc3)nnc12)C(F)(F)F
58338 Oc1c(C(=O)NCc2ccccc2)c(=O)n(CC=C)c2ccccc12
58339 Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CC=C
58340 [O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1
58341 COc1ccccc1NC1=NC(=O)C(S1)=Cc1ccc(cc1)N(C)C |w:15.17,t:10|
58342 CCOc1ccc(cc1)N(C)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:15.15,c:20|
58343 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
58344 [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
58345 OC(=O)CN1C(=S)S\C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O
58346 FC(F)(F)c1ccc(CNC(=O)c2ccc3C(=O)c4ccccc4S(=O)(=O)c3c2)cc1
58347 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCC1CCCCC1
58348 COc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CCC(O)=O)C1=O)-c1ccccc1
58349 Clc1cccc(C=Nn2c(n[nH]c2=S)C2CCCCC2)c1Cl |w:7.7|
58350 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(cc3)-c3ccccc3)c(c2)C(=O)NCCc2ccccc2)OC1(C)C
58351 COc1cccc(c1)-c1coc2cc3oc(=O)c(CCC(O)=O)c(C)c3cc12
58352 CCCCCCCCCCCCN1[C@@H](CC(O)=O)c2cc(ccc2S1(=O)=O)C(F)(F)F
58353 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCc1ccccc1
58354 Cc1ccc(O)c(C=NNC(=O)Cc2ccc(Cl)cc2)c1 |w:8.8|
58355 CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1C(O)=O
58356 Brc1ccccc1C1Nc2cccc3cccc(N1)c23
58357 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NN=Cc1ccccc1O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
58358 CCc1ccc(C=Nn2c(n[nH]c2=S)C2CCCCC2)cc1 |w:7.7|
58359 Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:9.10|
58360 C(CNC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
58361 CC(=C)COc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccc(Cl)cc1
58362 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CCC12
58363 NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
58364 CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1
58365 CC(C)(C)Nc1nc(nc2ccccc12)-c1ccccn1
58366 C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
58367 CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
58368 COc1cccc(c1)-c1coc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc12
58369 C1CCC(CC1)c1nc(nc2ccsc12)-c1ccccc1
58370 CC(C)CCC(CCNCc1ccccn1)c1ccc(Cl)cc1
58371 CN(C)CCCNc1nc(N)c(c(n1)N1CCCCCC1)[N+]([O-])=O
58372 Nc1nc(Nc2ccccc2)nc(NC2CCCCC2)c1[N+]([O-])=O
58373 O.Cl.[H]C12NC(=O)C([H])(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(Oc5cc3cc(Oc3ccc(cc3Cl)C1O)c5OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)c(Cl)c4)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(NC2=O)C(O)=O
58374 COc1cccc(c1O)-c1nc(NC2CCCC2)c2ccccc2n1
58375 COc1ccc(cc1)-c1oc2ccc(cc2c1C#CC1(O)CCCCC1)N1CCOCC1
58376 Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12
58377 OC1(CCCCC1)C#Cc1c(oc2ccc(cc12)N1CCOCC1)-c1ccsc1
58378 COc1ccc(cc1)-c1oc2ccc(cc2c1C#CCO)-c1ccc(OC)cc1
58379 O=c1c2ccccc2oc2cc(ccc12)-c1ccc2[nH]ccc2c1
58380 Clc1ccc(SCc2cc(=O)[nH]c(n2)-c2ccccn2)cc1
58381 COc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1Br
58382 COc1ccc(Br)cc1\C=C\c1ccc2cccc(O)c2n1
58383 Cc1ccc(C(=O)CC(=O)c2ccccc2C)c(O)c1
58384 COc1ccc(OC)c(\C=C\c2ccc3cccc(O)c3n2)c1
58385 COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(OC)c1OC
58386 Cc1[nH]c(cc1C(=O)N1CCN(CC1)c1cccc(Cl)c1)-c1ccc(F)cc1
58387 Cc1ccc(cc1)-c1nn(cc1CN=O)-c1ccccc1
58388 OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O
58389 CCCC(O)(C(CN1CCOCC1)c1ccc(Cl)cc1)c1ccc(Br)cc1
58390 [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)[C@H](O)C[C@]5(C)C4CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 |t:8|
58391 Cc1ccccc1-c1nc2c3ccccc3[nH]c(=S)n2n1
58392 ON1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
58393 CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNNC(N)=S)C1=O |w:16.18|
58394 On1c2ccccc2[n+]([O-])c2ccc(=O)cc12
58395 [O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1
58396 Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
58397 COc1ccc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)cc1
58398 O=C1NC(=O)\C(S1)=C/c1ccc(OCc2ccccc2)cc1
58399 CSCc1cc(nc(n1)-c1ccccn1)N(C)c1ccccc1
58400 OCC1CCN(CC1)c1ccccc1CNc1ccc(cc1[N+]([O-])=O)C#N
58401 CC(C)(C)c1ccc(CSc2cnn(c(=O)c2Cl)C(C)(C)C)cc1
58402 FC(F)(F)c1cc(Nc2ccccc2)nc(n1)-c1ccccn1
58403 COc1cnc(nc1Oc1ccc(cc1)C(C)(C)C)-c1ccccn1
58404 COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OC)cc1
58405 COc1ccc(cc1)-c1coc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc12
58406 Cc1cc2oc(=O)cc(CNc3ccccc3F)c2cc1O
58407 OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O
58408 Cc1cccc(Nc2nc(cs2)-c2ccc(F)c(C)c2)n1
58409 CCC1(C)Cc2c(CO1)sc1nc(SC)[nH]c(=S)c21
58410 FC(F)(F)c1ccccc1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:11.12|
58411 CCc1ccc(CNc2ccc3n(cnc3c2)C(C)(C)C)cc1
58412 CCCCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12
58413 Cc1c([nH]c2ccc(C)cc12)C(=O)NN=Cc1ccccc1O |w:14.15|
58414 CC(C)(C)c1ccc(cc1)C(=O)NN=Cc1ccccn1
58415 CC\C(=C\c1ccccc1)c1cccc2[nH]c3c(OC)cccc3c12
58416 COc1cc(\C(C)=C\c2ccccc2)c2c(c1)oc1ccccc21
58417 OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
58418 c1coc(c1)-c1noc(c1-c1ccc2[nH]ccc2c1)-c1ccccc1
58419 COC(=O)c1ccc2[nH]c3cccc(\C(=C\c4ccccc4)c4ccccc4)c3c2c1
58420 Cc1oc2cc(Br)c(O)c(Br)c2c1-c1ccccc1
58421 COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O
58422 CCOC(=O)c1c(O)cc(C)cc1Nc1ccccc1
58423 COc1ccc(-c2cc([nH]n2)-c2ccc(Cl)cc2)c(O)c1
58424 [O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2cccs2)o1
58425 CN(C)c1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
58426 CCc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
58427 Cc1ccc(C)c(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1
58428 OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
58429 Oc1cccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)c1
58430 OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Br)cc2)C1=O)c1ccccc1
58431 Cc1ccccc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O
58432 CN(N=Cc1cc(Br)cc(Br)c1O)c1cccc(n1)C(F)(F)F |w:2.1|
58433 CC(=NNC(=O)c1cc2ccccc2cc1O)c1cccs1 |w:2.2|
58434 Clc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
58435 CC1C(NC(C(C)C1=O)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O
58436 Cc1cc(C)c2c(nn(-c3ccccc3)c2n1)C(C)(C)C
58437 COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1
58438 Oc1ccccc1C1CCCCC1c1ccccc1
58439 CN(C)c1ccc(CN=Nc2nc3ccccc3o2)cc1 |w:9.9|
58440 CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
58441 CCOC(=O)c1csc(NN=C2CCCc3ccccc23)n1 |w:10.9|
58442 Cc1cc(C)c(C(=O)CC(=O)c2ccccc2Cl)c(O)c1
58443 COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cc(OC)c(O)c(OC)c1
58444 FC(F)(F)c1cccc(NC(=S)N2CCCC2)c1
58445 CN(Cc1ccccc1Cl)Cc1cc(=O)oc2cc(C)c(C)cc12
58446 Cc1nc(N2CCN(CC2)c2ccccc2O)c2c(csc2n1)-c1ccccc1
58447 COC(=O)c1cc(nc2nc(SC)[nH]c(=O)c12)-c1ccc(OC)cc1F
58448 Cc1cc(C)c2=NC(=O)C(NNc3ccc(cc3)C(O)=O)=c2c1 |c:21,t:5|
58449 CC(=NNC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl |w:2.2|
58450 Oc1ccc(cc1)C(=O)OCc1ccc(COC(=O)c2ccc(O)cc2)cc1
58451 FC(F)(F)c1cccc(CNC2c3ccccc3-c3ccccc23)c1
58452 CN(C)CCCNC(=S)NCC(c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl
58453 CN(Cc1ccc(cc1)N(C)C)C(=O)c1cc2ccccc2o1
58454 CC(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(cc1)C(C)(C)C
58455 ClC(Cl)(Cl)COS(=O)(=O)N[C@@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C2CCCCC12
58457 CC1(C)OC([C@H](O1)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
58458 CC(C)(C)N(Cc1ccccc1)C(=O)COc1cccnc1[N+]([O-])=O
58459 CN1CCN(CC1)C(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O
58460 CN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O
58461 CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccncc1
58462 CCc1sc(cc1C)C(=O)Nc1nccs1
58463 Oc1ccc(Br)cc1C=NNC(=S)NCCc1ccccc1 |w:9.10|
58464 Cc1ccc(OP(=O)(Nc2cccc(C)c2)Oc2ccc(C)cc2)cc1
58465 OC(=O)CSCC(=O)N(Cc1ccccc1)c1nc(c(s1)-c1ccccc1)-c1ccccc1
58466 Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(o2)[N+]([O-])=O)n1
58467 CC(C)Oc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
58468 OC(=O)CC\C(=C/c1cc2OCOc2cc1Br)c1nc2ccccc2s1
58469 Cc1cc(cc(C)c1COC(=O)c1cccnc1)C(C)(C)C
58470 COc1ccc(C)cc1NC(=O)CNC(c1ccccc1)c1ccccc1
58471 CCOc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
58472 Cc1ccc(CN2C(Nc3ccccc3C2=O)c2cc(Br)ccc2O)cc1
58473 Cc1ccnc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
58474 CSc1nnc2ccc(nn12)-c1ccc(C)cc1
58475 Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
58476 Oc1ccccc1C=NNC(=O)CSc1ccc2ccccc2n1 |w:8.9|
58477 NC(=O)c1cc(c[nH]1)C(=O)Cc1ccccc1
58478 Oc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(Br)cc1 |w:8.9|
58479 COC(=O)c1cc(-c2cccc(OC)c2)c2c(n1)n(C)c(=O)[nH]c2=O
58480 CN(C1=NC(=O)\C(S1)=C1/C(=O)Nc2ccc(C)cc12)c1ccc(O)cc1 |t:2|
58481 [#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6])cc3\[#6](=[#7]\[#7]-c3ccc(cc3)-[#6](-[#8])=O)-c2c1
58482 COc1ccc(-c2cc(n[nH]2)-c2ccc(C)cc2)c(O)c1
58483 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1nc2ccccc2[nH]1
58484 COc1ccc(NC(=O)c2cccc(c2)-c2ccc(O)cc2)cn1
58485 CCc1cc2c(COC(=O)c3cccc(NS(C)(=O)=O)c3)cc(=O)oc2cc1O
58486 Cn1ncc2c(Nc3ccc(Cl)c(Cl)c3)ncnc12
58487 ClCC(=O)C(C#N)c1nc-2c(CCc3ccccc-23)s1
58488 [O-][N+](=O)c1ccc(NCc2ccc(Cl)cc2)c2ccncc12
58489 CSc1ccc(\C=C2/CCn3c2nc2cc(ccc2c3=O)C(O)=O)cc1
58490 C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
58491 CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
58492 CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccccc1
58493 CC(C)(C)[C@H]1CCN(CC[C@H](Sc2ccccc2)c2ccccc2)C(=O)CC1
58494 CC(C)(C)[C@@H]1CCN([C@H](CSc2ccccc2)Cc2ccccc2)C(=O)CC1
58495 CCCn1c(nc2cc(Cl)c(Cl)cc12)C1CCCN1c1nc(cs1)-c1cccc(Br)c1
58496 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Br)ccc2O)CC1 |w:20.21|
58497 CN1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1
58498 CCOc1ccc(cc1)N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
58499 FC(F)(F)Oc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)cc1
58500 Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC2CCCO2)c3=O)cc1C
58501 COc1ccc(c(OC)c1)-n1c(=S)[nH]c2cc(ccc2c1=O)C(=O)Nc1ccc(C)c(F)c1 |(3.08,3.11,;4.41,3.88,;5.75,3.11,;5.75,1.57,;7.08,.8,;8.41,1.57,;8.41,3.11,;9.75,3.88,;9.75,5.42,;7.08,3.88,;9.75,.8,;9.75,-.74,;8.41,-1.51,;11.08,-1.51,;12.42,-.74,;13.79,-1.57,;15.19,-.78,;15.19,.83,;13.79,1.62,;12.42,.8,;11.08,1.57,;11.08,3.11,;16.52,-1.55,;16.51,-3.09,;17.86,-.79,;19.19,-1.56,;20.52,-.8,;21.85,-1.57,;21.85,-3.11,;23.18,-3.89,;20.51,-3.88,;20.5,-5.42,;19.18,-3.1,)|
58502 [O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
58503 Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccc2OCOc2c1 |w:9.10|
58504 Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:15.16|
58505 Cc1cccc(C=NNC(=O)c2ccccc2OCc2cccc(Br)c2)n1
58506 CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|
58507 Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Cl)ccc2O)c1CN1CCCCCC1 |w:13.13|
58508 Fc1ccc(cc1)-[n+]1nc(Nc2ccccc2)sc1-c1c2ccccc2cc2ccccc12 |(,7.81,;1.51,7.49,;2.54,8.64,;4.04,8.32,;4.52,6.85,;3.49,5.71,;1.98,6.03,;6.03,6.53,;6.5,8,;8.04,8,;8.95,9.24,;8.32,10.65,;9.23,11.9,;8.6,13.3,;7.07,13.46,;6.16,12.22,;6.79,10.81,;8.52,6.53,;7.27,5.63,;7.27,4.09,;8.6,3.32,;9.98,4.14,;11.38,3.35,;11.38,1.75,;9.98,.95,;8.6,1.78,;7.27,1.01,;5.94,1.78,;4.56,.95,;3.17,1.75,;3.17,3.35,;4.56,4.14,;5.94,3.32,)|
58509 CCn1c2cc(NC(=O)c3cc(Br)ccc3OC)c(cc2n(CC)c1=O)N1CCCC1
58510 COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)N2CCCC2)cc1OC
58511 CC1CCN(CC1)C(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)N(C)c2c1
58512 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccc(cc2c1=O)N1CCOCC1
58513 CN1C(=O)\C(Sc2ccc(cc12)C(=O)NC1CCN(Cc2ccccc2)CC1)=C/c1ccccc1F
58514 CCOC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)nc1sc(Nc3cc(C)ccc3C)nn1c2=O
58515 CCOC(=O)CC(NC(=O)CCS(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1)c1ccc(C)cc1
58516 CC1CCN(CC1)C(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
58517 CC1CCCCC1NC(=O)CCn1ccc2cc(ccc12)S(=O)(=O)N1CCCC1
58518 COc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(cc1)[N+]([O-])=O
58519 Oc1ccc(Cl)cc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
58520 O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1ccccc1
58521 CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1
58522 CCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
58523 Cn1c2ccc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2n(C)c1=O
58524 CCc1ccc(cc1)N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)cc1
58525 [H][C@]12COc3ccccc3[C@@]1([H])N1C(=O)N(C(=O)[C@]1(C)[C@@H]2C(=O)OCC)c1ccc(cc1)C(F)(F)F
58526 COc1ccc(O)c(CN2CCC(CC2)n2nccc2NC(=O)CCOc2ccccc2)c1
58527 Cc1cc(C)cc(c1)C(=O)N1CCC(CCC(=O)NC2CC2)CC1
58528 Clc1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1cccs1
58529 Cc1ccc(s1)C(=O)NC1CCCC1
58530 Cc1noc(C)c1C(=O)Nc1ccc2ccccc2c1
58531 Cc1onc(c1C(=O)NCc1ccc2OCOc2c1)-c1c(F)cccc1Cl |(9.04,-3.47,;7.89,-2.44,;6.39,-2.76,;5.62,-1.43,;6.65,-.28,;8.05,-.91,;9.39,-.14,;10.16,1.19,;10.72,-.91,;12.06,-.14,;13.39,-.91,;13.39,-2.45,;14.72,-3.22,;16.06,-2.45,;17.51,-2.92,;18.41,-1.68,;17.51,-.44,;16.06,-.91,;14.72,-.14,;5.62,.86,;4.11,.54,;3.63,-.92,;3.08,1.69,;3.56,3.15,;5.06,3.47,;6.09,2.33,;7.6,2.65,)|
58532 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(C)oc1C
58533 Cc1noc(C)c1C(=O)Nc1nccs1
58534 CCN(CC)c1ccc(NC(=O)c2c(C)noc2C)cc1
58535 CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
58536 Fc1ccc(cc1)S(=O)(=O)Cc1nnnn1-c1ccccc1
58537 CC(COc1ccc(cc1)C(C)C)NC(=O)c1ccc(Br)o1
58538 COc1ccc(CCN2CC(CCC2=O)C(=O)NCCc2ccccn2)cc1
58539 Cc1cccc(CCNC(=O)CC2N(Cc3ccccc3C)CCNC2=O)n1
58540 Cc1c(C)c2cc(ccc2n1Cc1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccccn1
58541 Fc1ccc(cc1)N1CC(CC1=O)C(=O)NCCS(=O)(=O)N1CCN(CC1)c1ccccc1F
58542 COc1ccc(CN2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c(F)c1
58543 CCn1cc(CN2CCC(CC2)n2nccc2NC(=O)Cc2ccccc2)cn1
58544 CCS(=O)(=O)c1nc(c(NCCN2CCOCC2)s1)S(=O)(=O)c1ccc(C)cc1
58545 COCC1CCN(C1)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
58546 COCC1CCCCN1C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1
58547 CCC(C(=O)NCC1CCCO1)n1nc(C)c2sc3ccccc3c2c1=O
58548 CCC(C(=O)N1CCC(CC1)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
58549 Cc1nn(CC(=O)Nc2c(F)c(F)cc(F)c2F)c(=O)c2cccn12
58550 CCCn1cc(CN2CCC(CC2)n2nccc2NC(=O)c2ccccc2)c(C)n1
58551 CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCCCCC1
58552 COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1Cl
58553 Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
58554 CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1cccc(C)c1
58555 COC(=O)c1nc(NC(=S)NC(=O)c2cccs2)sc1C
58556 COc1ccc(cc1)S(=O)(=O)NCC1CCCN(Cc2ccc(OC)cc2F)C1
58557 COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3Br)s2)cc1
58558 Fc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 |t:16|
58559 CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
58560 COc1ccccc1C(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
58561 Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
58562 Cc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
58563 CN(C1CCCCC1)C(=O)CSc1nc(-c2ccc(cc2)C(C)(C)C)c(C#N)c(=O)[nH]1
58564 Clc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1
58565 Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
58566 CCn1cc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1
58567 Brc1ccc(cc1)S(=O)(=O)N\C(=N\Cc1ccccc1)c1ccccc1
58568 CC1CN(CC(C)O1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
58569 Cc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2cccnc12
58570 Cc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c2ccco2)cc1
58571 COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(C)cc2)c1
58572 OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C1=O
58573 COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
58574 Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(cc2)C(C)(C)C)c1
58575 [O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
58576 CCn1c2ccccc2c(O)c(C(=O)NNC(=O)Cc2ccccc2)c1=O
58577 Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2Br)c1=O
58578 CCOc1cccc(c1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
58579 Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)c1cccs1
58580 CCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2)c1=O
58581 COc1ccc(cc1)-c1sc2ccccc2c1C#CC1(O)CCCCC1
58582 OCCCCC#Cc1c(sc2ccccc12)-c1ccsc1
58583 COc1cccc2oc3cc(ccc3c(=O)c12)-c1ccc2[nH]ccc2c1
58584 CCOC(=O)c1ccc(cc1F)-c1ccc2c(c1)n(C)c1ccccc1c2=O
58585 CCc1nc(SCC(=O)Nc2ccccc2OC)c2c(C)c(C)sc2n1
58586 Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O
58587 Cc1cccc(c1)C(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O
58588 COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12
58589 Oc1c(Br)cc(Br)cc1C(=O)CSC(=S)N1CCOCC1
58590 CCOC(=O)c1ccc(NC(=O)c2sc3nc4CCCn4c(=O)c3c2C)cc1
58591 CCc1ccc(cc1S(=O)(=O)Nc1cccc(CN2CCCC2)c1)-c1cc(C)no1
58592 CCc1nn(CCCC(=O)NCc2ccccc2Br)c(=O)c2cc3occc3n12
58593 CN1C(=O)\C(Sc2ccc(cc12)C(=O)N1CCN(CC1)c1ccccn1)=C\c1ccc(cc1)C(F)(F)F
58594 O=C(N1CCN(CC1)c1ccccn1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
58595 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(C)ccn1
58596 Fc1ccc(CNC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCCCC2)cc1
58597 CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
58598 COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
58599 O=C(NCCc1ccccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
58600 COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC1CCCCCC1
58601 Brc1ccc2[nH]cc(\C=C(/C#N)c3ccccn3)c2c1
58602 COc1cccc(c1)C(=O)NC(=S)Nc1ccccc1N1CCCCC1
58603 CC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1cccs1
58604 Cc1nn(C)c(Cl)c1CN1CCCC(C1)C(=O)Nc1ccc(cc1)-c1cscn1
58605 CCc1ccc(cc1)-c1ccc2nnc(SCC(N)=O)n2n1
58606 COc1cc(OC)c(NC(=O)c2sc3ncn(CC(=O)N4CCN(CC4)c4ccccn4)c(=O)c3c2C)cc1Cl
58607 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
58608 COc1cc(NC(=O)CSc2ncnc3sc4CCCCc4c23)c(cc1OC)C(O)=O
58609 COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C
58610 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
58611 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccn(Cc2cccc(F)c2)c1=O
58612 Nc1c(Cl)cc(cc1Cl)-c1csc(n1)N1CCCC1c1nc2cc(Cl)c(Cl)cc2n1CCOCCO
58613 CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(OC)cc2OC)c3=O)cc1 |(25.85,-4.66,;24.51,-3.88,;23.18,-4.65,;21.85,-3.87,;20.51,-4.64,;19.18,-3.86,;19.19,-2.32,;17.86,-1.55,;16.52,-2.31,;16.51,-3.85,;15.19,-1.54,;15.19,.07,;13.79,.86,;12.42,.04,;12.42,-1.5,;13.79,-2.33,;11.08,-2.27,;9.75,-1.5,;8.41,-2.27,;9.75,.04,;8.41,.81,;7.08,.04,;5.75,.81,;5.75,2.35,;4.41,3.12,;3.08,2.35,;7.08,3.12,;8.41,2.35,;9.75,3.12,;9.75,4.66,;11.08,.81,;11.08,2.35,;20.52,-1.56,;21.85,-2.33,)|
58614 CN1C(=O)\C(Sc2ccc(cc12)C(=O)NCC1CCCO1)=C\c1ccccc1F
58615 CCOC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
58616 Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)cc2)no1 |w:19.19|
58617 CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1[N+]([O-])=O
58618 CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(C)o1
58619 CCC(C(=O)NCCCN1CCCC1=O)n1c2ccccc2c2nc(=O)cc(C)n12
58620 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1
58621 CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1
58622 COc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc2ccccc2c1
58623 CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1
58624 COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1
58625 Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
58626 Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
58627 CCCCc1nc2cc(ccc2o1)C(=O)N1CCC(CC1)OCCOC
58628 Clc1ccccc1C(=O)Oc1ccc(\C=C2/C(=N)N3N=C(SC3=NC2=O)N2CCOCC2)cc1 |c:20,24|
58629 CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
58630 Oc1ccc(cc1)-c1c(sc2ccccc12)C1=CCCCC1 |t:19|
58631 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Cl)ccc2O)CC1 |w:20.21|
58632 OCC1CCN(Cc2c(nc3ccc(Cl)cn23)C(=O)N2CCc3ccccc3C2)CC1
58633 Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)CCN1Cc2ccccc2C1=O
58634 CCN(CCn1cccn1)C(=O)CC1N(CCc2ccccc2)CCNC1=O
58635 Cc1ccc(cn1)C(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1
58636 CCc1nnc(NS(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)s1
58637 COc1ccc(cc1)-c1oc2cccnc2c1C#CC1(O)CCCCC1
58638 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1
58639 COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(cc1)C(O)=O
58640 CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3CCCc23)cc1
58641 CC1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
58642 CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCCC1
58643 CCOC(=O)N1CCN(CC1)C(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c1ccc2OCOc2c1
58644 FC(F)(F)c1cccc(NC(=O)CSc2nc(nc(n2)N2CCOCC2)N2CCOCC2)c1
58645 COCC1CCN(C1)C(=O)CCc1nnc(o1)C1(CCC1)c1ccc(Cl)cc1
58646 Cc1c(oc2c(Cl)cc(C)cc12)C(=O)N1CCN(CC1)C(=O)c1ccco1
58647 CC(OC(=O)C1CCC1)C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
58648 CCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1
58649 CCOc1cccc(C=NNC(=O)c2ccc3OCCOc3c2)c1O |w:9.9|
58650 CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(O)=O)C2=O)cc1
58651 CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
58652 Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
58653 CCCNC(=O)c1ccc(N2CCC3(CC(=NO3)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1 |c:15|
58654 CC1(CC1(Cl)Cl)C(=O)OCC(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
58655 CC(OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Cl)cn1
58656 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)-c1nnco1
58657 COc1ccc(cc1F)C(=O)N1CCCC(C1)Nc1ccc(C)c(C)c1
58658 Cc1cccc(c1)C(=O)NCC(=O)N1CCOCC1
58659 O=C(CNC(=O)c1ccco1)NCc1nc2ccccc2[nH]1
58660 CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Cl)c1
58661 CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CSC3(C)CCC(=O)N23)c1
58662 COc1ccccc1CN1CC(CCC1=O)C(=O)NCc1ncccc1C
58663 COc1cc(F)ccc1CN1CCC(CC1)n1nccc1NC(=O)C1CCOC1
58664 CC1(C)CC(NC(=O)CCCN2CCCC2=O)c2cnn(c2C1)-c1ccccc1
58665 Fc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(Cl)c1
58666 Cc1c(oc2ccccc12)C(=O)NNC(=S)NCc1ccc(Cl)cc1
58667 CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)COc1ccc(cc1)C1CCCCC1
58668 OC(=O)c1cc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)ccc1Cl
58669 Oc1ccc(cc1NC(=O)CCCN1C(=S)S\C(=C\c2cccs2)C1=O)[N+]([O-])=O
58670 Cc1cc(C)c(OCC(=O)N2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)c(C)c1
58671 CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2)s1
58672 Oc1cccc(c1)C(=O)OCc1ccc(cc1)-c1ccccc1
58673 CCCOc1ccc(cc1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
58674 Clc1cccc(c1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCC1CCCO1
58675 CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NC1CCCC1
58676 COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)c2C)cc1
58677 O=C(NNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O)c1ccccc1 |w:4.3|
58678 COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1
58679 CCn1c2nc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c(=O)c2sc1=S
58680 COc1ccc(OC)c(c1)-n1c(C)cc(\C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C |c:35,t:21,(3.08,5.36,;3.99,4.12,;5.52,4.28,;6.14,5.69,;7.67,5.85,;8.58,4.6,;10.11,4.76,;10.74,6.17,;7.95,3.19,;6.42,3.03,;8.86,1.95,;10.4,1.95,;11.3,3.19,;10.87,.48,;9.63,-.42,;9.63,-1.96,;10.96,-2.73,;12.3,-1.96,;12.3,-.42,;13.63,-2.73,;15.09,-2.26,;15.99,-3.5,;17.53,-3.5,;18.3,-4.84,;17.53,-6.17,;19.84,-4.84,;20.61,-3.5,;22.15,-3.5,;22.92,-4.84,;22.15,-6.17,;20.61,-6.17,;15.09,-4.74,;13.63,-4.27,;12.3,-5.04,;10.96,-4.27,;9.63,-5.04,;8.38,.48,;6.92,.01,)|
58681 Cc1cc(=O)oc2cc(OCC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)ccc12
58682 Fc1ccc(cc1)C(=O)NC(=S)N1CCCCC1c1cccnc1
58683 Clc1ccccc1-c1nc(C#N)c(o1)N1CCN(CC1)C(=O)c1ccco1
58684 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCc2ccccc12
58685 CC1CCc2c(C1)scc2C(=O)Nc1cccc(c1)-c1nnn[nH]1
58686 CCC(C)c1ccccc1NS(=O)(=O)c1cnn(CC)c1
58687 Clc1cccc(Cl)c1OCC(=O)Nc1ccccc1N1CCCC1
58688 Cn1c(CNC(=O)CNC(=O)c2ccc(F)cc2)cc(=O)n(C)c1=O
58689 CCC(Oc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1
58690 Cc1c(oc2ccc(F)cc12)C(=O)Nc1nonc1-c1ccc(F)cc1
58691 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3cc(ccc3O)[N+]([O-])=O)c2c1
58692 CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc12)C(=O)N[C@H](C(O)=O)c1ccccc1
58693 CCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc12
58694 Cc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCOCC1
58695 COc1ccc(CN(C)S(=O)(=O)c2ccc3OCCOc3c2)cc1
58696 Cc1ccc(NC(=O)NCc2ccccn2)cc1Cl
58697 null
58698 Fc1ccc(NC(=O)NCc2ccccn2)cc1Cl
58699 CC(=NNC(=O)c1ccccc1N)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
58700 CN1CCN(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1
58701 CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
58702 CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1-c1ccccc1
58703 Cc1ccc(CNC(=S)NC2CCC(CC2)C(C)(C)C)cc1 |(4.41,-8.47,;4.41,-6.93,;3.08,-6.16,;3.08,-4.62,;4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;5.75,,;4.41,.77,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,6.93,;7.08,8.47,;8.62,6.93,;5.54,6.93,;5.75,-4.62,;5.75,-6.16,)|
58704 CC(=NNC(=O)c1cc(nc2c(Cl)cccc12)-c1ccccc1)c1cccnc1 |w:2.2|
58705 Fc1cccc(c1)C(=O)NN=C(c1ccccc1)c1cccnc1
58706 Clc1cc(Cl)cc(NC(=O)Nc2cnccn2)c1
58707 Fc1ccc(NC(=O)N2CCCCCC2)cc1
58708 CCCCc1ccc(NC(=O)NCc2ccccn2)cc1
58709 Clc1ccc(cc1Cl)C(=O)NN=Cc1ccccn1
58710 Clc1ccc(NC(=O)Nc2ccon2)cc1Cl
58711 CC(C)c1ccc(cc1)C(C)NC(=S)NCc1ccc(F)cc1
58712 CCNS(=O)(=O)c1ccc(NC(=S)N2CCCC2)cc1
58713 CCc1ccccc1NC(=O)NC(C)c1ccc2OCOc2c1
58714 Fc1ccc(NC(=O)NCc2ccc3OCOc3c2)cc1
58715 COc1cccc(NC(=O)NCCCCc2ccccc2)c1
58716 CCOc1ccccc1NC(=O)NCc1ccc2OCOc2c1
58717 CCc1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C
58718 COc1ccc(OC)c(NC(=O)NCc2cccnc2)c1
58719 Cc1cccc(NC(=O)NCc2ccc3OCOc3c2)c1
58720 COc1ccc(OC)c(NC(=O)NC2CCCc3ccccc23)c1
58721 COc1ccccc1NC(=O)NCCCCc1ccccc1
58722 CC(C)c1ccc(NC(=O)NC(C)c2ccc3OCOc3c2)cc1
58723 CC(=NNC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccccc2C)c1 |w:2.2|
58724 CC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1 |w:2.2|
58725 COc1cccc(c1)-c1cc(C(=O)NCC2CCCO2)c2cc(Br)cc(C)c2n1
58726 CN(C1CCCCC1)C(=S)NC(=O)c1ccccc1
58727 COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3F)c2)cc1OC
58728 C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
58729 CCN(CC)c1ccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c(O)c1 |w:10.10|
58730 CCCc1cc(C(=O)Nc2ccc(cc2)C(=O)c2ccc(F)cc2)n(C)n1
58731 CC(C)(CNC(=O)c1ccccc1)CN=C1NS(=O)(=O)c2ccccc12 |w:14.14|
58732 COC(=O)c1c(NC(=O)c2ccn(C)n2)sc2CCCc12
58733 CCn1cc(cn1)C(=O)NC(=S)Nc1ccccc1Br
58734 Cc1cccc(c1)-c1oc2ccccc2c1-c1ccc2OCOc2c1
58735 Cc1cccc(c1)-c1oc2ccccc2c1C#CCCCCO
58736 COc1ccc(cc1)C#Cc1ccc2c(c1)n(C)c1ccccc1c2=O
58737 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(OCC)c(OC)c3)C(=O)N(C)c2c1
58738 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccccc1O)c1ccccc1 |w:17.18|
58739 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NC3CC3)c12
58740 Fc1ccc(cc1)-c1cc(n2ncc(C(=O)N3CCc4ccccc4C3)c2n1)C(F)(F)F
58741 COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(cc1)[N+]([O-])=O
58742 Cc1cccc(OCC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2C(O)=O)c1C
58743 Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N1CCOCC1
58744 CCC(C)c1ccc(cc1)C(C)NC(=S)NC1CCCCC1
58745 Cc1ccccc1NC(=O)NCCCCc1ccccc1
58746 Fc1cccc(NC(=O)N2CCCCCC2)c1
58747 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCc1cc2ccccc2n1S(=O)(=O)c1ccccc1
58748 OC(=O)c1cc(Br)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
58749 CC(C)(O)c1[nH]c2cc(F)ccc2c1C(C)(C)O
58750 Fc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCOCC1)-c1ccccc1
58751 CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1
58752 COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(o2)-c2ccncc2)c1
58753 COC(C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1
58754 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc2)c1C
58755 Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)OCCO2
58756 FC(F)(F)c1cc(Cl)cn2c(CNS(=O)(=O)c3ccccc3)nnc12
58757 CC12CCC(OC1=O)(C(=O)NNC(=O)c1ccccc1)C2(C)C |THB:7:6:20:2.3|
58758 COc1cc(ccc1O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2Cl)c(OC)c1
58759 COc1ccc(C)cc1NC(=O)NC1CCCc2ccccc12
58760 COc1ccc(cc1)S(=O)(=O)NN=C(C)c1ccncc1 |w:12.12|
58761 Cc1ccc(CNC(=S)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
58762 Cc1sc2ncnc(SCC(=O)N3CCCC(C3)C(F)(F)F)c2c1C
58763 CC(C)c1ccc(C)c(OCC(=O)Nc2ccccc2N2CCCC2)c1
58764 COc1ccc(Br)cc1S(=O)(=O)Nc1nnc[nH]1
58765 Clc1ccccc1COc1ccccc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1
58766 Oc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccccc1
58767 CC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1
58768 COc1ccc(cc1OC)C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1
58769 CC(OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC(=O)NC1CCCCC1
58770 Cn1c(SCC(=O)NC2(CCCCC2)C#N)nnc1-c1cccnc1
58771 CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
58772 Cc1ccc(NC(=S)NC2CCSc3ccccc23)cc1C
58773 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC
58774 Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Br)ccc2O)c1CNc1ccccc1 |w:13.13|
58775 Cc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1
58776 CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
58777 CC1CCN(CC1)c1ccccc1NC(=O)c1cc2ccccc2o1
58778 O=C1\C(CCC\C1=C/c1cccs1)=C\c1cccs1
58779 COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OCc1ccc(F)cc1
58780 CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1
58781 CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(OCc2ccccc2)c1
58782 COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1OCc1ccc(F)cc1
58783 Clc1ccc(SCC(=O)Nc2cc(=O)n([nH]2)-c2ccccc2)cc1
58784 CC1CCN(CC1)c1ccc(nn1)-c1ccc(NC(=O)c2ccco2)cc1
58785 CCCCNc1c(nc2ccccn12)-c1ccc(SC2CCCCC2)cc1
58786 CCC(C)Sc1cc(ccc1OC)-c1nc2ccccn2c1NC1CCCCC1
58787 CCCCNc1c(nc2cnccn12)-c1ccc(OC)c(SC2CCCCC2)c1
58788 CCCCNc1c(nc2cc(C)ccn12)-c1ccc(OC)c(SC2CCCCC2)c1
58789 CCC(C)Sc1cccc(c1)-c1nc2ccc(C)cn2c1NCc1ccccc1
58790 CCCCNc1c(nc2cnccn12)-c1ccc(c(OC)c1)-c1ccc(cc1)C(C)=O
58791 CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(o1)[N+]([O-])=O)c2C(N)=O
58792 CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
58793 CCN1CCN(CC1)C(CNS(=O)(=O)c1ccc(C)cc1)c1cccnc1
58794 O=C(NNC(=S)NC(=O)c1ccccc1)c1cccs1
58795 Oc1ccc(O)n1-c1cccc(c1)C(=O)Nc1nnc(o1)-c1ccc(Br)cc1
58796 COCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3[nH]c2c1=O
58797 Fc1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NCc2ccccc2)o1
58798 O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCc1ccccc1
58799 COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
58800 CCCN1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCC)c2C(N)=O
58801 CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:27|
58802 Clc1ccccc1C(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
58803 [O-][N+](=O)c1ccc(s1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:18|
58804 O=C(Nc1nnc(o1)-c1ccncc1)c1ccc2ccccc2c1
58805 CC1CC(CC(C)(C)C1)NC(=O)c1c(O)n2ccsc2nc1=O
58806 Cc1cccn2c1nc(C)c(NC(=O)c1ccc3OCOc3c1)c2=O
58807 COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)Nc2ccccc2OC)n1
58808 COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2OC)cs1
58809 Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1
58810 Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1 |t:8|
58811 CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(F)cc1
58812 COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
58813 Clc1cccc(NC(=O)Nc2nc(CC(=O)NCc3cccnc3)cs2)c1
58814 COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cc(F)ccc2F)cs1
58815 Clc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccccn3)cs2)c1
58816 COc1cc(OC)cc(c1)C(=O)Nc1nc(CC(=O)NCc2ccccc2OC)cs1
58817 Fc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
58818 CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)cc1
58819 O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCC1CCCO1
58820 Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccccc2)c1 |t:9|
58821 COc1ccccc1-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)CC2CCCO2)o1
58822 COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c(OC)c1
58823 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccc(C)cc1 |c:17|
58824 CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2CN(C)CCc12
58825 O=C(Nc1nc2cc3OCCOc3cc2s1)c1ccco1
58826 Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
58827 COc1ccccc1N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)N2CCCC2)s1
58828 COc1ccccc1N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
58829 CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)cc(C)c1
58830 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCc2cccnc2)s1
58831 CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(OC)c(OC)c1
58832 Cc1ccc(C)c(c1)-c1nnc(NC(=O)COc2ccccc2)o1
58833 O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)c1ccco1
58834 CNC(=O)c1c(NC(=O)c2ccc(cc2)-n2c(O)ccc2O)sc2CC(C)CCc12
58835 O=C(Cc1ccccc1)NCCS(=O)(=O)N1CCN(CC1)c1ccccc1
58836 Cc1ccc(C)c(c1)-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1
58837 Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)N2CCOCC2)o1
58838 Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)NCCc2ccccc2)o1
58839 COc1ccc(cc1)S(=O)(=O)NCC(N1CCN(C)CC1)c1ccc(F)cc1
58840 [O-][N+](=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
58841 CC1(C)Cc2c(sc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)c2C(N)=O)C(C)(C)N1
58842 COc1ccc(cc1)C(=O)CSc1nnc(CNC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)o1
58843 Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)NCc2ccccc2)o1
58844 Clc1ccc(cc1)-c1ccc(SCC(=O)NC2CCCC2)nn1
58845 COc1ccc(cc1)-c1nnc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)o1
58846 COc1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1
58847 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2cc3OCCOc3cc2s1
58848 Clc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
58849 CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Br)o3)s2)cc1
58850 Brc1ccc(cc1)-c1nnc(NC(=O)c2ccco2)o1
58851 CN1CCN(CC1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
58852 COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
58853 O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCCc1ccccc1
58854 CC(C)(C)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NC2CCCC2)o1
58855 Cc1ccc(cc1C)C(=O)Nc1nnc(o1)C1=COCCO1 |t:18|
58856 [O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
58857 Cc1cccc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)c1
58858 Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
58859 COc1cc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O
58860 [O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(Cl)c1
58861 Oc1c(N=O)c2ccccc2c2ccccc12
58862 CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:20|
58863 Fc1cccc(c1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:17|
58864 CC(C)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C#N
58865 Fc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
58866 Clc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
58867 COc1cc(OC)cc(c1)C(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
58868 Fc1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NCc2ccccc2Cl)o1
58869 CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2cc(C)cc(C)c2s1 |t:10|
58870 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2ccc(C)cc2s1
58871 CCc1cccc2sc(nc12)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
58872 O=C(Nc1ccccc1)C(=O)Nc1ccc2CCCN(C(=O)C3CC3)c2c1
58873 CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCc1ccccc1
58874 CCCCNc1c(nc2ccc(C)cn12)-c1ccc(SC(C)CC)c(OC)c1
58875 Cc1ccc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)cc1
58876 CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1ccc(OC)cc1
58877 CCC(C)Sc1cc(ccc1OC)-c1nc2ccc(C)cn2c1NCc1ccccc1
58878 C1CCC(CC1)Nc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1
58879 Cc1ccc(C[n+]2c(cc(cc2-c2ccc(C)cc2)-c2ccc(C)cc2)-c2ccc(C)cc2)cc1
58880 Brc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCc1ccc2OCOc2c1
58881 COc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCc1ccccc1Cl
58882 CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)Nc1cccc(OC)c1
58883 CSc1cccc(c1)-c1nnc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)o1
58884 Fc1cccc(Cl)c1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
58885 COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccncc2)c2CCCc12
58886 CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(C)c1C
58887 Fc1cccc(Cl)c1CSC1=NCCN1S(=O)(=O)c1ccccc1 |t:11|
58888 O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3OCCOc3cc2s1
58889 COc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1cccc(C)c1 |c:15|
58890 COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC(C)(C)NC2(C)C
58891 COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
58892 CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1F
58893 Clc1ccccc1-c1nnc(NC(=O)COc2ccccc2)o1
58894 CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc(C)cc(C)c2s1
58895 COc1ccccc1OCC(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(F)cc1
58896 CCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2c3ccccc3[nH]c2c1=O
58897 Cc1ccc(cc1)-c1cc(-c2ccc(C)cc2)[n+](-c2ccc(cc2)C([O-])=O)c(c1)-c1ccc(C)cc1
58898 COc1ccc(cc1)C1CC(=NN1C(=O)CSC1=NCCS1)c1cccs1 |c:11,t:19|
58899 CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
58900 CC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
58901 Cc1oc(NC(=O)CSc2nnnn2-c2ccccc2)c2c1c(C)n[nH]c2=O
58902 Cc1ccccc1C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
58903 COc1cccc(CC(=O)OCC(=O)Nc2nnc(o2)-c2ccccc2)c1
58904 COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
58905 Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccccc1O
58906 CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(nn1-c1ccccc1)-c1ccccc1
58907 CC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1
58908 Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2cc(ccc12)[N+]([O-])=O
58909 Nc1c(Cl)cc(cc1Cl)C1=c2n(CC[N-]1)[n+](=O)c1cc(ccc21)[N+]([O-])=O |t:10|
58910 Oc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc(Br)cc1
58911 [O-][N+](=O)c1ccc(OCC(=O)Nc2nc(cs2)-c2ccccn2)cc1
58912 COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
58913 COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C
58914 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(Cl)cc3Cl)c2c1C
58915 COc1cccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1OC
58916 CSc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NCC(=O)OCC(=O)N1CCCC1=O
58917 Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCCCC2)c(C)c1
58918 Clc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1
58919 Brc1ccccc1C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
58920 [O-][N+](=O)c1ccc(o1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
58921 COc1cccc(c1)C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
58922 CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
58923 COC(=O)\N=N\C=C1/C=[N+]([O-])c2ccccc2N1O |t:8|
58924 [#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
58925 CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
58926 CCCCCCCCCCCCCCCC[N+](C)(C)CC
58927 COC(=O)[C@@]12CCCN1[C@@H]([C@@H]1[C@H]2C(=O)N(C)C1=O)c1ccc(c(OC)c1)-c1cccc(Cl)c1
58928 COc1ccc2oc(C(=O)OCC(=O)NC3(CCCC3)C#N)c(C)c2c1
58929 CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)s2)sc2c1CC(C)(C)NC2(C)C
58930 Cc1cc(ccc1Br)S(=O)(=O)NCCC1=CCCCC1 |t:15|
58931 CN(CC(=O)Nc1sc2CCCc2c1C(N)=O)CC(=O)Nc1c(C)cccc1C
58932 Cc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1C
58933 CCOc1ccccc1C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
58934 Cc1c(oc2ccc(Br)cc12)C(=O)NNC(=O)c1ccccc1O
58935 O=C(NCC1(CCCCC1)N1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1
58936 COc1ccc(cc1)C(CNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl)N1CCOCC1
58937 Clc1ccc(cc1)-c1cc(C(=O)NNC(=O)c2csc(n2)N2CCOCC2)c2ccccc2n1
58938 COc1ccc(NC(=O)C(OC(=O)c2cnc(C)cn2)c2ccccc2)cc1Cl
58939 Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccc2O)c2ccccc2n1
58940 Fc1ccc(OCC(=O)Nc2nc(cs2)-c2ccccn2)cc1
58941 CCCCCCCCCCCCCCCC[N+](C)(C)C
58942 Oc1ccccc1N1CCN(CC1)C(=O)c1cc2ccccc2cc1O
58943 C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2C3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
58944 CCOc1ccc(NC(=O)CN(C)C(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)cc1OCC
58945 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C[C@@H](C)CC)nn1
58946 CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1
58947 Cc1cc(C(=O)c2cccs2)c(N)s1
58948 Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
58949 CN(C)c1ccc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1
58950 CN(C)c1ccc(cc1N)C(=O)c1ccc(N(C)C)c(N)c1
58951 Cc1cc2c(N=O)c(NO)ccc2[nH]1
58952 COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(CC1)c1ccc(O)cc1
58953 CCOC(=O)c1c(C)c(C(=O)Nc2ccc(cc2)N(C)C)c(C)n1CC
58954 COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)C1CCCCC1)c1cccnc1
58955 CN(C)c1ccc(NC(=O)CN2c3ccccc3C(=NCC2=O)c2ccccc2)cc1 |c:19|
58956 Cc1ccc(C)c(c1)-c1nc2ccc(N)cc2[nH]1
58957 CCN(CC)c1ccc(NC(=O)c2cccc(C)c2OC)c(C)c1
58958 Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1
58959 O=C(N1CCN(CC1)c1ccc(NCc2ccc3OCOc3c2)cc1)c1ccccc1
58960 COc1cc(ccc1O)-c1nc2c[nH]ccn2c1=Nc1ccccc1 |w:18.21|
58961 Clc1cc(NCc2cccs2)ccc1N1CCOCC1
58962 CCN(CC)c1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
58963 C1CCN=C(CC1)NNc1nc(cs1)-c1ccccc1 |c:3|
58964 COc1ccc(cc1OC)-c1c(C)[nH]nc1-c1ccc(O)cc1O
58965 [O-][N+](=O)c1ccc(Sc2nc3ccccc3o2)c(c1)[N+]([O-])=O
58966 Cc1ccc(o1)-c1nc2ncccn2c1NC1CCCCC1
58967 [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#7]/[#7]-c2ccc(-[#8])cc2)-[#6](=O)-[#8]1
58968 CCCc1cc(-c2n[nH]c(C(=O)OCC)c2-c2cscn2)c(O)cc1O
58969 CCOC(=O)c1[nH]nc(c1-c1cscn1)-c1cc(CC)c(O)cc1O
58970 CNC(C)Cc1ccccc1Sc1ccc(O)cc1
58971 CC(Cc1ccccc1Sc1ccc(O)cc1)N(C)C
58972 COc1cc(\C=[NH+]\NC(=O)c2ccc(Cn3nc(c(Cl)c3C)[N+]([O-])=O)o2)ccc1[O-]
58973 CCN(CC)c1ccc(C=NN2CCOCC2)cc1
58974 Oc1ccc(cc1)N1CCN(CC1)C(=S)NCCc1ccccc1
58975 CC(C=Nn1c(n[nH]c1=S)-c1cccnc1)=Cc1ccccc1 |w:3.3,16.18|
58976 Cc1ccc(-c2ccc([CH+]c3c([n-]oc3=O)-c3ccccc3)o2)c(c1)[N+]([O-])=O
58977 CC(C)(C)c1cc(C(=O)NN=Cc2ccc(O)cc2)n(n1)-c1ccccc1 |w:10.9|
58978 CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)c1cccs1
58979 Cc1c(\N=N\c2ccc(N)cc2C)c(=O)n(-c2ccccc2)n1C
58980 CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
58981 SC1=NC(=O)C(S1)=Cc1ccc(SCc2ccccc2)o1 |w:7.8,t:1|
58982 COC1=C(Nc2ccc(O)cc2)C(=O)c2ccccc2C1=O |c:2|
58983 SC1=NC(=O)C(S1)=Cc1ccc(o1)N1CCOCC1 |w:7.8,t:1|
58984 Cc1cccc(c1)-n1c2ccc(cc2cc2c1nc(=O)[nH]c2=O)[N+]([O-])=O
58985 Cc1ccc(cc1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
58986 CC(C)COC(=O)C1C(NC(=S)N=C1C)c1cccs1 |c:12|
58987 Cc1ccc(cc1NC(=O)CN1CCN(CC1)c1ccc(O)cc1)S(=O)(=O)N1CCOCC1
58988 CN1\C(=C/C=NNC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc12
58989 Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)CC1
58990 CCOc1cc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc(Br)c1OC
58991 Cc1c(Br)c(=O)oc2c(Br)c(O)c(O)cc12
58992 CN(C)c1ccc(Nc2nc(cs2)-c2c(C)nc3ncccn23)cc1
58993 CC(C)n1cnc2cc(NCc3ccc(C)cc3)ccc12
58994 Cc1ccc2nc(c(NC3CCCC3)n2c1)-c1ccccn1
58995 Cc1ccc(cc1)-c1c[nH]n(-c2ccccc2)c1=O
58996 Oc1ccc(cc1O)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
58997 COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCC=C
58998 NC(=O)c1ccc(N2CCN(CC2)c2ccc(O)cc2)c(c1)[N+]([O-])=O
58999 O=C1CCCN1CCCNC(=S)Nc1ccc(Nc2ccccc2)cc1
59000 OCC1CCCN(C1)C(=S)Nc1ccc(Nc2ccccc2)cc1
59001 CCOc1c(Br)cc(CNc2ccc(cc2)N2CCN(CC2)C(C)=O)cc1OC
59002 CCOc1c(Br)cc(CNc2ccc(cc2)N2CCOCC2)cc1OC
59003 ClCC(=O)Nc1ccc(cc1)N1CCCCCC1
59004 Oc1ccc(NC2=NC(=O)C(S2)=Cc2ccco2)cc1 |w:12.13,t:6|
59005 CN(C)c1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCCOc2c1
59006 CN(C)\C=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C |c:9|
59007 COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cccc2C)C1
59008 COc1ccc(cc1)N1CCC(CNC(=S)Nc2c(C)cc(C)cc2C)C1
59009 COc1ccc(cc1)N1CCC(CNC(=S)Nc2ccc(C)cc2C)C1
59010 CN(C)c1ccc(cc1)C1=NN(Cc2ccccc2)C2C1C(=O)N(C)C2=O |t:10|
59011 [#8-]-[#7+](=O)-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2ccccc2\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1
59012 COc1cc(ccc1O)-c1cc(=O)c2ccccc2o1
59013 CCN(CC)c1ccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)cc1
59014 CN(C1CCCCC1)C(=O)c1ccccc1C(=O)OCC(=O)NCc1cccs1
59015 C=CCn1c(=S)[nH]c2scc(-c3ccco3)c2c1=O
59016 CCc1cc(=S)n2c([nH]c3ccccc23)c1C#N
59017 Oc1ccc(cc1)N1CCN(Cc2cc(=O)n3c(csc3n2)-c2ccccc2)CC1
59018 Oc1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1O |w:7.7|
59019 Oc1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
59020 CCN(CC)S(=O)(=O)c1ccc(N=NCc2ccc(O)cc2)nc1 |w:12.11|
59021 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)c1ccc(O)cc1
59022 Oc1ccc(cc1)N1CCN(CC1)C(=O)COc1cccc(c1)C(F)(F)F
59023 COc1ccc(Nc2ccc(OC)cc2)cc1
59024 COc1cc(C=C(C#N)c2ccccn2)cc(OC)c1O |w:5.4|
59025 Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)cc1 |w:6.6|
59026 COc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3COC(Cc3c2c1=O)C(C)C
59027 S=c1[nH]nc(COc2ccccc2)n1N=CC=Cc1ccco1 |w:14.15,16.17|
59028 Cc1ccccc1-c1n[nH]c(=S)n1N=CC=Cc1ccco1 |w:13.14,15.16|
59029 Nc1cnc(Nc2ccc(Br)cc2)nc1N
59030 CCCn1cnc2cccc3cccc1c23
59031 CCn1cnc2cccc3cccc1c23
59032 NS(=O)(=O)c1ccc(N=[NH+]Cc2ccc[n-]2)c(c1)[N+]([O-])=O |w:8.7|
59033 Cc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
59034 Oc1ccc(C=Nn2c(COc3ccccc3)nc3ccccc3c2=O)cc1O |w:6.6|
59035 Oc1ccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)cc1 |w:12.13,14.15,t:6|
59036 CC(C=Nn1c(n[nH]c1=S)-c1ccncc1)=Cc1ccco1 |w:3.3,16.18|
59037 Oc1ccc(cc1)N1CCN(CC1)C(=O)CCOc1ccccc1
59038 Cc1ccc(OCCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
59039 Oc1ccc(cc1)N1CCN(CC1)C(=O)CCSc1ccc(Cl)cc1
59040 [H][C@@]12C=CC(=O)[C@@]1(C)[C@@]1([H])OC(=O)C(=C)[C@]1([H])[C@@H](C[C@H]2C)OC(=O)CC(=O)O[C@@H]1C[C@@H](C)[C@@]2([H])C=CC(=O)[C@@]2(C)[C@@]2([H])OC(=O)C(=C)[C@]12[H] |c:2,37|
59041 CC(C)C1Cc2c(CO1)sc1c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n12
59042 Oc1ccc2c(occ(-c3ccc(cc3)[N+]([O-])=O)c2=O)c1O
59043 O=C1NC(=O)C(=CC=Cc2ccco2)C(=O)N1c1ccccc1 |w:6.6,8.8|
59044 CCCCN1Cc2c(nc3cc([nH]n3c2=O)-c2ccco2)C1=O
59045 CC[C@H](C)\C=C\C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 |c:8,25,29,t:6|
59046 COc1cc(CNc2ccc(cc2)N2CCCCC2)ccc1OCC(=O)NC(C)(C)C
59047 COc1ccc(NC2CCCN(Cc3cccc4cnccc34)C2)cc1OC
59048 COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1
59049 Cc1nc(C)c(s1)-c1csc(Nc2ccc(N)cc2)n1
59050 CC(=O)N1CCN(CC1)c1ccc(NCc2cccc3ccccc23)cc1
59051 COc1cc(CNc2ccc(cc2)N2CCOCC2)ccc1OCC(=O)NC(C)(C)C
59052 COc1cc(C=C2SC(N)=NC2=O)ccc1O |w:5.4,c:9|
59053 Oc1ccc(C=Nn2c(COc3ccccc3)n[nH]c2=S)cc1O |w:6.6|
59054 [O-]c1ccc(Nc2cc(Cl)c3[nH+]onc3c2[N+]([O-])=O)cc1
59055 Cc1c(C)c2c(NN)ncnc2n1Cc1ccccc1
59056 Oc1ccc(C=C(C#N)c2nc3ccccc3[nH]2)cc1O |w:5.4|
59057 CCN(CC)CCCCN1c2ccccc2Sc2ccccc12
59058 CC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC=C
59059 CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
59060 CCCC[n+]1c2ccccc2cc2ccccc12
59061 CCC[n+]1c2ccccc2cc2ccccc12
59062 CC(C)CCn1c2n[nH]c(=S)n2c2ccccc2c1=O
59063 CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
59064 Oc1ccc(cc1)N1CCN(CC1)c1ccc(nc1)[N+]([O-])=O
59065 COc1cc(OC)cc(c1)C(=O)NCC(=O)N1CCN(CC1)c1ccc(O)cc1
59066 CCN(CC)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3NC(=O)CCc3c2)c(C)c1
59067 CN(C)c1ccc(NS(=O)(=O)c2cc3CC(=O)N4CCCc(c2)c34)cc1
59068 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1
59069 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CCCCC2C)cc1
59070 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CC(C)CC(C)C2)cc1
59071 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
59072 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1
59073 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccccc1)N2CC(=O)Nc1ccc(cc1)N(C)C
59074 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CCCCC2CC)cc1
59075 Cc1c(CC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)c(=O)oc2c(O)c(O)ccc12
59076 Oc1c(Br)cc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1Br |w:7.7|
59077 COc1ccc(NC2CCCN(C2)C(=O)c2cccc(c2)C(F)(F)F)cc1OC
59078 OC(=O)\C=C\C(=O)c1ccc-2c(CCc3ccccc-23)c1
59079 [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)-[n+]1ccc2ccccc2c1
59080 CCN(CC)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1
59081 CN1CCN(CC1)S(=O)(=O)c1ccc(N2CCN(CC2)c2ccc(O)cc2)c(c1)[N+]([O-])=O
59082 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)Nc2nc(cs2)-c2ccccn2)C1=O
59083 CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
59084 Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Cl)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14|
59085 CC(C)c1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1)C(O)=O |c:12|
59086 CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
59087 O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
59088 OCCCC1CC[NH+](CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30,(.54,6.93,;1.87,7.7,;3.2,6.93,;4.54,7.7,;5.87,6.93,;7.2,7.7,;8.54,6.93,;8.54,5.39,;7.2,4.62,;5.87,5.39,;9.87,4.62,;9.87,3.08,;11.21,2.31,;12.54,3.08,;13.87,2.31,;15.21,3.08,;15.21,4.62,;16.54,5.39,;17.87,4.62,;19.21,5.39,;20.54,4.62,;20.54,3.08,;21.88,2.31,;19.21,2.31,;19.21,.77,;17.67,.77,;18.44,-.56,;18.04,-2.05,;19.58,-2.05,;19.98,-.56,;20.32,.32,;17.87,3.08,;16.54,2.31,;12.54,4.62,;11.21,5.39,)|
59089 COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
59090 O=C(Nc1cc(n[nH]1)C1CCC[NH2+]1)Nc1cccc2C(=O)N3CCCC3c12
59091 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1
59092 CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1
59093 CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CNC(C)=O)c2)n1
59094 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
59095 CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
59096 Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CCO)CC2)n1
59097 CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
59098 Oc1ccc(\C=C2/SC(=S)N(CC([O-])=O)C2=O)cc1O
59099 Oc1ccc(\C=C2/SC(=S)N(CCCCC(=O)NCc3ccc(Cl)c(Cl)c3)C2=O)cc1O
59100 Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4ccc(O)c(O)c4)C3=O)cc2)cc1
59101 Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O
59102 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12 |w:7.8,t:1|
59103 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12 |w:7.8,t:1|
59104 CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1 |w:3.2,c:7|
59105 CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.11,t:4|
59106 CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:9.10,t:3|
59107 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12 |w:7.8,t:1|
59108 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12 |w:7.8,t:1|
59109 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1|
59110 CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1 |w:11.11,c:21|
59111 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O |w:7.8,t:1|
59112 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12 |w:7.8,t:1|
59113 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O |w:7.8,t:1|
59114 NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12 |w:7.8,t:1|
59115 CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1 |w:3.2,c:7|
59116 CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:10.11,t:4|
59117 Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
59118 OC(=O)c1ccccc1NN=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.10|
59119 OC(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1 |w:8.7|
59120 Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccccn1 |w:13.15|
59121 Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O |w:13.15|
59122 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c(Br)c(Br)c23)cc1 |w:9.8|
59123 Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ncccn1 |w:13.15|
59124 Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1cccnc1 |w:13.15|
59125 Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccncc1 |w:13.15|
59126 Clc1ccc2c(NN=C3CCNC(=O)c4[nH]c(Br)c(Br)c34)ccnc2c1 |w:7.6|
59127 O=C1NCCC(=NNc2ccccn2)c2cc([nH]c12)-c1ccccc1 |w:6.6|
59128 Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1 |w:13.15|
59129 O=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21 |w:6.6|
59130 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
59131 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
59132 Brc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
59133 Nc1cccc2c3c([nH]c12)C(=O)NCCC3=NNc1ccccn1 |w:16.19|
59134 Clc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:6.5|
59135 FC(F)(F)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:9.8|
59136 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1 |w:14.15|
59137 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1 |w:14.15|
59138 COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cn1 |w:7.6|
59139 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
59140 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)nc3)c2c1 |w:14.15|
59141 Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1 |w:14.15|
59142 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1 |w:9.8|
59143 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1 |w:9.8|
59144 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)cn3)c2c1 |w:14.15|
59145 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1 |w:14.15|
59146 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1 |w:14.15|
59147 COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1 |w:7.6|
59148 Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
59149 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1 |w:9.8|
59150 NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1 |w:9.8|
59151 CC(C=Cc1ccco1)=NCCCCNC(=O)C=Cc1ccco1 |w:18.19,9.10,2.1|
59152 CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CC(C)CCc12
59153 FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
59154 [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
59155 Fc1ccc(C=NNC(=N)NN=Cc2ccc(F)cc2)cc1 |w:11.10,6.6|
59156 CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O
59157 COc1cc(\C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC
59158 CCOc1ccc(Cl)cc1\C=C1\SC(=S)N(CC)C1=O
59159 [#8-]-[#7+](=O)-c1cc(Cl)c(cc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
59160 COc1cc(C=Nn2c(O)csc2=S)ccc1OCCOc1ccc(cc1)C(C)(C)C |w:6.6|
59161 FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
59162 FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O
59163 [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O
59164 [#8-]-[#6](=O)-c1cc(ccc1Cl)-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)o1
59165 [#8-]-[#6](=O)-c1cccc(-c2ccc(\[#6]=[#6]-3/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl
59166 CC1Cc2nc(N)nc(N)c2CC1C
59167 CC1CCc2nc(N)nc(N)c2C1
59168 Nc1nc(N)c2c(Oc3ccc(F)cc3)cccc2n1
59169 COC(=O)[C@@H](CC(=O)c1cccc(c1)C(=O)C[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)Cc1c[nH]c2ccccc12 |r|
59170 COC(=O)[C@@H](CC(=O)Cc1ccc(\C=C\c2ccc(CC(=O)C[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC)cc2)cc1)Cc1c[nH]c2ccccc12 |r|
59171 O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12
59172 O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12
59173 BrC1=NOC(CNC(=O)[C@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
59174 Oc1ccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:27|
59175 Fc1ccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:27|
59176 Fc1cccc(CC[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Br)=NO2)c1 |r,c:28|
59177 Oc1ccc2[nH]cc(C[C@H](NC(=O)OCc3ccccc3)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:29|
59179 BrC1=NOC(CNC(=O)[C@H](CC(=O)NCc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
59180 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
59181 C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1 |r,c:21|
59182 BrC1=NOC(COC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1 |r,t:1|
59183 CN(CC1CC(Br)=NO1)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,c:6|
59184 CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CC(Br)=NO1 |r,c:20|
59185 Oc1ccc(C[C@H](NC(=O)Oc2ccncc2)C(=O)NCC2CC(Br)=NO2)cc1 |r,c:25|
59186 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2cccnc2)C1 |r,t:1|
59187 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCCc2ccccc2)C1 |r,t:1|
59188 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)Oc2ccc3ccccc3c2)C1 |r,t:1|
59189 BrC1=NOC(CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCC2=Cc3ccccc3S2(=O)=O)C1 |r,t:1,23|
59190 Oc1ccc2[nH]cc(C[C@H](NC(=O)OCC3=Cc4ccccc4S3(=O)=O)C(=O)NCC3CC(Br)=NO3)c2c1 |r,c:35,t:15|
59191 Oc1cc(O)c2c(c1)oc1cccc(O)c1c2=O
59192 COC(=O)c1c(O)ccc2c1oc1cccc(O)c1c2=O
59193 COc1cc(OC)c2c(c1)oc1c(O)ccc(O)c1c2=O
59194 Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)N(=O)=O
59195 Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl
59196 Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc(c1)C(F)(F)F
59197 Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1
59198 Clc1ccc(Nc2ncc(s2)C(=O)c2ccc(Cl)cc2Cl)cc1
59199 Clc1cc2CN(COc2c2ncccc12)C1CCN(Cc2ccccc2)CC1
59200 CC(=O)Nc1ccc(CN2CCC(CC2)N2Cc3cc(Cl)c4cccnc4c3O2)cc1
59201 Clc1cc2CN(Oc2c2ncccc12)C1CCN(Cc2ccc(cc2)-c2ccccc2)CC1
59202 CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCN)ncnc12 |r|
59203 NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
59204 NCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
59205 NCCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
59206 Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r|
59207 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN |r|
59208 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12 |r|
59209 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCN |r|
59210 Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NCCO |r|
59211 CNc1nc(CN)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
59212 CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(N)=N |r|
59213 CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CO)C(=O)N[C@H](C(C)O)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(N)O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O |r|
59214 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
59215 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccccc1 |r|
59216 CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1cccc(O)c1 |r|
59217 COc1cccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)c1 |r|
59218 CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(O)cc1 |r|
59219 COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)cc1 |r|
59220 CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(O)c(O)c1 |r|
59221 COc1ccc(CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)C(C)O)cc1OC |r|
59222 CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(N)cc1 |r|
59223 CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(Oc2ccccc2)cc1 |r|
59224 CC(C)C[C@@H](NC(=O)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(C)O)C(=O)NCCc1ccc(Oc2ccc(O)cc2)cc1 |r|
59225 COc1cc(C=Cc2ccc(OC)c(c2)B(O)O)cc(OC)c1OC |w:6.6|
59227 CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
59228 COc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.56,4.39,;-2.33,5.73,;-.02,4.39,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
59229 COc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cccc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.56,4.39,;-2.33,5.73,;-.02,4.39,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
59230 CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCN4CCOCC4)cc3)[nH]c(=O)c12 |(-2.33,5.73,;-1.56,4.39,;-.02,4.39,;-2.33,3.06,;-1.43,1.81,;-2.33,.57,;-1.93,-.92,;-.44,-1.32,;.64,-.23,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-3.79,1.04,;-5.13,.27,;-6.46,1.04,;-7.8,.27,;-9.13,1.04,;-10.46,.27,;-11.8,1.04,;-11.8,2.58,;-13.13,3.35,;-14.46,2.58,;-15.8,3.35,;-17.13,2.58,;-18.47,3.35,;-19.8,2.58,;-19.8,1.04,;-18.47,.27,;-17.13,1.04,;-10.46,3.35,;-9.13,2.58,;-6.46,2.58,;-5.13,3.35,;-5.13,4.89,;-3.79,2.58,)|
59231 COc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2ccccc2)cc1
59232 COc1ccc(Cc2nc3n[nH]c(C(C)C)c3c(=O)[nH]2)cc1
59233 COc1ccc(Cc2nc3n(ncc3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
59234 COc1ccc(Cc2nc3n(nc(Cc4ccccc4)c3c(=O)[nH]2)-c2c(Cl)cc(Cl)cc2Cl)cc1 |(-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.85,4.53,;-.37,4.92,;.03,6.41,;1.52,6.81,;2.61,5.72,;2.21,4.23,;.72,3.84,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-.74,-5.38,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
59235 COCCOCCOCCOc1ccc(Cc2nc3n(nc(C(C)C)c3c(=O)[nH]2)-c2c(Cl)cccc2Cl)cc1 |(-26.47,3.35,;-25.13,2.58,;-23.8,3.35,;-22.47,2.58,;-21.13,3.35,;-19.8,2.58,;-18.47,3.35,;-17.13,2.58,;-15.8,3.35,;-14.46,2.58,;-13.13,3.35,;-11.8,2.58,;-11.8,1.04,;-10.46,.27,;-9.13,1.04,;-7.8,.27,;-6.46,1.04,;-5.13,.27,;-3.79,1.04,;-2.33,.57,;-1.43,1.81,;-2.33,3.06,;-1.93,4.55,;-.44,4.95,;-3.02,5.64,;-3.79,2.58,;-5.13,3.35,;-5.13,4.89,;-6.46,2.58,;-1.93,-.92,;-.44,-1.32,;.33,.02,;-.05,-2.8,;-1.13,-3.89,;-2.62,-3.49,;-3.02,-2.01,;-4.51,-1.61,;-9.13,2.58,;-10.46,3.35,)|
59236 O=N(=O)c1cccc(Nc2nccc(n2)-c2cccc(Cn3cncn3)c2)c1
59237 Nc1ccccc1C(=O)On1nnc2ccccc12
59238 CN(C)c1ccc(cc1)C(=O)On1nnc2ccccc12
59239 CNc1ccc(cc1)C(=O)On1nnc2ccccc12
59240 CCN(CC)c1ccc(cc1)C(=O)On1nnc2ccccc12
59241 O=C(On1nnc2ccccc12)c1ccc2nc[nH]c2c1
59242 O=C(On1nnc2ccccc12)c1ccc2[nH]ccc2c1
59243 O=C(On1nnc2ccccc12)c1cc2ccccc2[nH]1
59244 Fc1ccc2[nH]c(cc2c1)C(=O)On1nnc2ccccc12
59245 O=C(Cn1nnc2ccccc12)c1ccc(cc1)N(=O)=O
59246 CCN(CC)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
59247 Nc1ccc(cc1)C(=O)Cn1nnc2ccccc12
59248 Nc1ccc(cc1)C(O)Cn1nnc2ccccc12
59249 CNc1ccc(cc1)C(=O)Cn1nnc2ccccc12
59250 CN(C)c1ccc(cc1)C(=O)Cn1nnc2ccccc12
59251 CNc1ccc(cc1)C(O)Cn1nnc2ccccc12
59252 CN(C)c1ccc(cc1)C(O)Cn1nnc2ccccc12
59253 CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c(=O)c12 |(10.12,4.57,;8.61,4.25,;7.58,5.4,;8.13,2.79,;9.04,1.54,;8.13,.29,;8.61,-1.17,;10.1,-1.57,;11.19,-.48,;10.5,-3.06,;9.41,-4.15,;10.18,-5.48,;7.92,-3.75,;7.52,-2.26,;6.03,-1.86,;6.67,.77,;5.33,,;4,.77,;2.67,,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;2.67,-4.62,;2.67,-6.16,;4,-6.93,;4,-8.47,;5.33,-7.7,;5.33,-6.16,;6.67,-6.93,;5.33,-4.62,;4,-3.85,;4,-2.31,;4,2.31,;5.33,3.08,;5.33,4.62,;6.67,2.31,)|
59254 Cc1nnc(NC(=O)c2cn3ccc(C)cc3n2)s1
59255 O=C(NCc1ccccc1)NC1(CCCCC1)C(=O)N1CCN(CC1)c1ccccc1
59257 OCCN(CCO)Cc1nc2-c3ccccc3CC3(CCCCC3)c2c(=O)[nH]1
59258 COc1ccc(CNC(=O)c2cc(n[nH]2)-c2ccccc2O)cc1
59259 CCCCn1cc(O)c(c1N)-c1nc2ccccc2[nH]1
59260 CCC(C)n1cc(O)c(c1N)-c1nc2ccccc2[nH]1
59261 CC1Cc2ccccc2N1C(=O)COc1nc2ccccc2nc1N1CCOCC1
59262 COc1cccc(c1)N(C(=O)c1ccn[nH]1)C1(CCCCC1)C(=O)Nc1c(C)cccc1C
59263 Oc1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(O)n1-c1ccc(F)cc1
59264 CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1
59265 CC(C)CNC(=S)NNC(=O)c1ccco1
59266 COCc1cc(=O)n2[nH]c(cc2n1)-c1ccsc1-n1c(C)ccc1C |(3.08,-.48,;4.41,.29,;5.75,-.48,;7.08,.29,;7.08,1.83,;8.42,2.6,;8.42,4.14,;9.75,1.83,;11.21,2.3,;12.1,1.06,;11.21,-.18,;9.75,.29,;8.42,-.48,;13.64,1.06,;14.55,2.31,;16.01,1.83,;16.01,.29,;14.55,-.18,;14.07,-1.65,;12.61,-2.13,;11.36,-1.22,;12.61,-3.67,;14.07,-4.14,;14.98,-2.9,;16.52,-2.9,)|
59267 Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccccc1
59268 CCOC1Cc2ccccc2N(C(N)=O)c2ccccc12
59269 CCOC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1
59270 Fc1ccccc1N1CC(C(=N1)c1cccs1)c1ccccc1 |c:11|
59271 CC(C)CCC(CC(C)O)C(=O)NNC(=S)NCC=C
59272 CC(=O)OCCCN1c2ccccc2Nc2nnc(cc12)-c1ccccc1
59273 CN(C)C(=O)c1sc2nc([nH]c(=O)c2c1C)-c1ccccn1
59274 CC(C)c1ccc(NC(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)cc1
59275 Cc1c(Cl)c(nn1C)C(=O)NNC(=S)Nc1ccccc1
59276 Cc1cc(C)c(C#N)c(SCc2nc3ccccc3[nH]2)n1
59277 CC(C)CNC(=S)NNC(=O)c1ccc2OCOc2c1
59278 Cc1cc(nn1CC(=O)NNC(=S)Nc1ccc(F)cc1)[N+]([O-])=O
59279 CCNC(=S)NNC(=O)c1cc(CC(C)C)nc2ccccc12
59280 Cc1ccc(NC(=S)NNC(=O)c2nn(C)cc2Cl)cc1
59281 CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
59282 C=CCSC1=Nc2sccc2C2=NC(=O)CN12 |t:4,12|
59283 Brc1cccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)c1
59284 COc1ccc2nc(C)cc(SCC(=O)NNC(=O)COc3ccccc3)c2c1
59285 CCNC(=S)NNC(=O)CCn1c2ccccc2c2ccccc12
59286 CCC(C)NC(=S)NNC(=O)c1ccc(cc1)C(C)(C)C
59287 Cc1ccc(s1)C(=O)NNC(=S)Nc1cccc2ccccc12
59288 Cc1cc[c-](-c2cc([nH+][nH]2)-c2ccccc2[N+]([O-])=O)c(=O)c1
59289 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccccc1-c1ccccc1)N2CCc1ccccc1
59290 Oc1ccc2ccccc2c1CN=Nc1cccc2cccnc12 |w:13.15|
59291 CC(C(Cc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1)c1ccccc1
59292 CCn1c(CN=Nc2ccc(cc2)C(O)=O)nc2ccccc12 |w:5.4|
59293 Oc1c(CN=Nc2cccc3cccnc23)ccc2ccccc12 |w:5.5|
59294 CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2cccc(OC)c2)c1
59295 CCOC(=O)c1c(C)c(sc1NC(=O)NN=Cc1ccccc1OCC)C(C)=O |w:15.15|
59296 COc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)cc1
59297 CC(Oc1ccccc1)C(=O)NNC(=O)c1ccccn1
59298 Cn1c2nc(N=NCc3ccc(OC(=O)c4ccco4)cc3)n(Cc3ccccc3)c2c(=O)n(C)c1=O |w:5.4|
59299 Cn1c2nc(N=NCc3cccs3)n(Cc3ccc(Br)cc3)c2c(=O)n(C)c1=O |w:5.4|
59300 CN1CCN(CC(=O)NNC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)CC1
59301 Cn1c2nc(N=NCc3cccs3)n(Cc3ccccc3)c2c(=O)n(C)c1=O |w:5.4|
59302 CCOC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
59303 Cc1cc([nH]n1)C(=O)NNC(=O)CCCCC(=O)NNC(=O)c1cc(C)n[nH]1
59304 CC(C)Cn1c(SC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2ccccc2c1=O
59305 CCOC(=O)c1c(C)c(C)sc1NC(=O)COc1ncnc2ccccc12
59306 Cn1cc(Cl)c(n1)C(=O)NNC(=S)NC1CCCCC1
59307 O=C1N(C2CC2)C(=S)N\C1=C/c1cccs1
59308 COc1ccc(cc1)-n1cc(CNCCc2ncc(C)[nH]2)c(n1)-c1ccccc1Cl
59309 CCCOCC(O)CC(CC)C(=O)NNC(=S)Nc1ccccc1
59310 Cc1cccc(c1)-n1c(CNC(=O)c2cccc(c2C)[N+]([O-])=O)n[nH]c1=S
59311 CC\C(SC)=C\c1sc2ccc(C)cc2[n+]1CCO
59312 CCCCc1ccc(NC(=S)NCCc2ccc(cc2)S(N)(=O)=O)cc1
59313 Cn1c(N=NCc2ccco2)nc2n(C)c(=O)n(C)c(=O)c12 |w:3.2|
59314 COCCn1c(N=NC(C)=CCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12 |w:6.5,10.10|
59315 COc1ccc(OCC(=O)Nc2ccc3oc(nc3c2)-c2ccncc2)cc1
59316 COc1ccc(cc1)-c1nc2ccc(C)cn2c1NCc1ccc2OCOc2c1
59317 [H]C12CCCC([H])(CC(C1)NC(=S)NCc1ccccc1)N2Cc1ccc(C)cc1
59318 Cc1ccc(OCC(=O)Nc2ccc3OCCOc3c2)cc1C
59319 COc1cc(ccc1OC(=O)\C=C\c1ccco1)C(=S)N1CCOCC1
59320 CCCCNC(=O)CSc1nc2cc3OCOc3cc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1
59321 COc1ccc(cc1OC)-n1c(=O)n(CC(=O)NC2CCCCC2)c2ccccc2c1=O
59322 O=C(CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1)NCCCN1CCOCC1
59323 COCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
59324 Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccco3)ncnc12
59325 CN(C)CCCN(C(=O)c1ccco1)c1nc2ccc(Br)cc2s1
59326 Cc1ccc(NC(N)=Nc2nc(C)cc(n2)N2CCCCC2)c(C)c1 |w:8.8|
59327 Cc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)c1ccn[nH]1
59328 COc1ccc(cc1)-c1nc2ccccn2c1CN1CCN(CC1)c1ccccc1F
59329 COc1ccccc1CNC(=O)C1(CCCCC1)NC(=O)Nc1ccc(C)cc1
59330 Cc1cc(C)c(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(CC(=O)NCC4CCCO4)cc3)c2=O)c(C)c1
59331 CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1cccc(C)c1)C1CCCCC1)c1ccccc1 |c:14|
59332 Cc1ccc(C)n1-c1ccc(s1)C(=O)NN
59333 Fc1cc(Cl)ccc1NC(=O)COC(=O)C1CN(Cc2ccccc2)C(=O)C1
59334 CN1CCN(CC1)C(=O)Cc1nc2ccccc2[nH]1
59335 OC(=O)CCN1CCc2ccccc12
59336 Cc1cccc(c1)N(CC(N)=O)c1sc(=O)n(c1O)-c1ccccc1
59337 CCn1c2ccccc2cc\c1=N/c1ccc(cc1)N1CCOCC1
59338 COc1ccc(NC(=O)N2CCC(CC2)c2nc(no2)-c2cccs2)cc1
59339 Cc1cc(C)nc(n1)N1CCCC(C1)C(=O)Nc1cc(F)ccc1C
59340 CC1(CC(=O)N=C2C=CC=CN12)C(=O)N(C(C(=O)NC1CCCC1)c1ccccn1)c1ccccc1 |c:7,9,t:5|
59341 COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
59342 COc1nc(NS(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl
59343 Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1
59344 CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
59345 Cc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCOCC1
59346 COc1cc2CCn3c(cc(NC4CCCC4)nc3=O)-c2cc1OC
59347 COc1ccccc1Cn1c2nnc(SCC(=O)N3CCCCC3)n2c2ccccc2c1=O
59348 CC\N=C1/Cn2c(CN1CC)nc1scc(-c3ccccc3)c1c2=O
59349 CCOc1ccccc1N1CCN(CC1)C(=O)c1cccc(c1)-c1ccc(O)cc1
59350 CC1CCCC(NC(=O)c2cn(C)c3ccc(cc3c2=O)S(=O)(=O)N2CCCC2)C1C
59351 Clc1ccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)cc1
59352 COc1ccc(cc1OC)C(=O)N(CN1CCCC1=O)c1ccccc1OC
59353 COc1ccc(cc1)-n1nc(C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2c1=O
59354 COc1ccc(cc1)S(=O)(=O)CCC(=O)NC1CCCCC1
59355 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)N2CCN(CC2)c2ccccc2F)C1=O |c:5,TLB:29:7:2:6.5,THB:9:8:2:6.5|
59356 O=C(NCc1cccs1)c1noc2CCCCCc12
59357 Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCC(O)=O
59358 Fc1ccc(cc1)-n1c(CNC(=O)c2ccco2)n[nH]c1=S
59359 CC(=O)NCCc1csc(n1)-c1ccccc1
59360 CCCN1Cc2cccc(C(=O)Nc3ccc4OCOc4c3)c2C1=O
59361 Brc1cnc2nc(SCc3ccccc3C#N)[nH]c2c1
59362 COc1ccccc1-c1nnc(SCC(=O)NCc2c(C)c(Cl)cc(C(C)C)c2O)o1
59363 COc1ccc(cc1)-c1nnc(NC(=O)c2cc(C)on2)s1
59364 COC(=O)c1ccc(C(=O)OC)c(NS(C)(=O)=O)c1
59365 CCCNC(=O)c1cc(SC)ccc1Cl
59366 COc1ccc(c(C)c1C)S(=O)(=O)N1CCCC1
59367 Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1CO
59368 Clc1ccc(cc1C(=O)N1CCN(CC1)c1nc(cs1)-c1ccccc1)-n1cnnc1
59369 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccc(cc1)C(=O)N1CCCCC1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
59370 CCOC(=O)CCc1c(C)c2ccc(O)cc2oc1=O
59371 OC(=O)c1ccc(cc1C(O)=O)C(=O)c1ccc(O)cc1
59372 C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc2ccccc2n1
59373 Nc1c(NC2CCCCC2)c2ccccc2oc1=O
59374 O=c1nc(NCc2ccco2)sc2ncccc12
59375 Oc1ccccc1C1=NOC(C1)C(=O)NCc1cccs1 |t:8|
59376 CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
59377 Cc1ccc2OC(CC(O)=O)C(=O)Nc2c1
59378 CC1(C)CC(=O)N(CC(O)=O)c2ccccc2S1(=O)=O
59379 CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C
59380 CN(C)CCNc1oc(COc2cccc(C)c2)nc1C#N
59381 CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
59382 Cc1cc(c(C)s1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
59383 CCn1c2ccccc2c(OCC(=O)NCCC(C)C)cc1=O
59384 OC(=O)CN1C(=O)COc2cc(ccc12)S(=O)(=O)N1CCCC1
59385 CC(C)CC(NC(=O)c1ccco1)C(=O)Nc1ccc2OCCOc2c1
59386 COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC
59387 CCN1CCN(CCCNC(=O)Cn2cc3CCCCc3n2)CC1
59388 CC(C)CC1(NC(C2C1C(=O)N(C(C)C)C2=O)c1ccccc1O)C(O)=O
59389 CSc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1
59390 CCN1c2cc(ccc2S(=O)c2ccccc2C1=O)C(=O)N1CCCCCC1
59391 Fc1ccc(cc1)C1=NOC(C1)C(=O)N1CCc2ccccc2C1 |t:8|
59392 O=C(CN1C(=O)CCC1=O)Nc1nc(cs1)-c1ccccn1
59393 Cc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)c1ccc(Br)o1
59394 OC(=O)CCCNC(=O)c1cncc(Br)c1
59395 CCCS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
59396 C(N1CCCCC1)c1cc([nH]n1)C1CCCCC1
59397 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
59398 Clc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc23)n1
59399 CC(C)C(N1CCC(Cc2ccccc2)CC1)c1nnnn1C(C)(C)C
59400 Cc1sc2nc(CN(C3CCCCC3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C
59401 O=C(NC(=S)NC1CC1)c1cccnc1
59402 COc1ccc(cc1)C(=O)Nc1nc(c(NC(C)=O)s1)-c1cccs1
59403 [H]C12CN3CC(CC)(CN(C1)CC3)C2O |TLB:14:13:4:9.8.12.11,12:3:13:9.8.10,11:9:13:3.4.2,THB:10:9:4:1.13.2,10:1:4:9.8.12.11|
59404 Cc1c(Br)cccc1NC(=O)c1sccc1-n1cccc1
59405 COc1ccc(cc1)-c1nc(Cn2c(SCc3ccccc3F)nc3ccncc23)c(C)o1
59406 CCOC(=O)N1CCC(CC1)NC(=O)C(NC(=O)C1CCC(C)CC1)C(C)CC |(3.08,-8.47,;4.41,-7.7,;4.41,-6.16,;5.75,-5.39,;7.08,-6.16,;5.75,-3.85,;7.08,-3.08,;7.08,-1.54,;5.75,-.77,;4.41,-1.54,;4.41,-3.08,;5.75,.77,;7.08,1.54,;8.41,.77,;7.08,3.08,;8.41,3.85,;8.41,5.39,;7.08,6.16,;9.75,6.16,;11.08,5.39,;12.42,6.16,;12.42,7.7,;13.75,8.47,;11.08,8.47,;9.75,7.7,;5.75,3.85,;4.41,3.08,;5.75,5.39,;4.41,6.16,)|
59407 CN1C(=O)CSc2ccc(NC(=O)Nc3cc(C)cc(C)c3)cc12
59408 COC(=O)c1cc2sccc2n1Cc1nc(oc1C)-c1cccc(Cl)c1
59409 CCC(=NNS(C)(=O)=O)c1ccccc1 |w:3.3|
59410 CC(C)c1ccc(NC(=O)C(N2CCCC(C)C2)c2ccc3OCOc3c2)cc1
59411 CCC(=O)OC1N(Cc2ccccc2)C(=O)c2ccccc12
59412 Cc1ccnc(c1)N1C(O)c2ccccc2C1=O
59413 C(Cc1ccccc1)c1nc(no1)-c1ccc(cc1)-n1cccc1
59414 C(Nc1ccc(cc1)N1CCOCC1)c1ccncc1
59415 CN(C)CCCn1c2CCCCc2c(=S)nc1-c1ccccc1
59416 CCNC(=O)CSc1nnc(-c2cccc(c2)S(=O)(=O)N(CC)CC)n1CCc1ccccc1
59417 CCCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccccc2)n1
59418 Clc1cccc(c1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6]\[#6](=[#6](\c3ccccc3)-c3ccccc3)-[#6]-2=O)-[#6]-[#6]-1
59419 CC(NC(=O)C(=C/c1c(C)[nH]c2ccccc12)\C#N)c1ccc(C)cc1
59420 [O-][N+](=O)CCc1ccccc1C(=O)Nc1ccc(F)cc1
59421 COC(=O)c1ccc(\C=C\C(=O)c2ccc(OC)cc2)cc1
59422 Fc1cccc(COc2ccccc2CNc2ccccc2)c1
59423 CCC(C)NC(=O)C(=O)NC1CCCC1
59424 CCCc1nc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)C)c2ccccc2n1
59425 COc1ccc(NC(=O)Cc2ccc(C)cc2)c(c1)[N+]([O-])=O
59426 CSc1nc(N)nc(SCC(=O)Nc2cccc(F)c2)c1C#N
59427 [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCCCC1
59428 Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+]([O-])=O
59429 OCCSCC(=O)NNC(=O)COc1cccc2ccccc12
59430 CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
59431 Cc1ccc(cc1C)-c1cc(C(=O)NC2=NCCS2)c2ccccc2n1 |t:15|
59432 COc1ccc(cc1)C(N)=NOC(=O)Cc1ccc(C)cc1 |w:10.11|
59433 CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1
59434 CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
59435 Clc1ccc(cc1C(=O)Nc1ccccc1)S(=O)(=O)N1CCSCC1
59436 CCN(CC)CCNC(=O)C(\NC(=O)c1cccs1)=C/c1cccn1C
59437 Cc1ccsc1\C=C(/C#N)C(=O)NCc1ccco1
59438 CCOc1ccc(NC(=S)NCCCN2CCN(CC2)C2CCCCC2)cc1
59439 Cc1ccc(cc1)N(CC(=O)NN=Cc1cccc(Br)c1)S(C)(=O)=O
59440 COc1ccc(cc1[N+]([O-])=O)-c1nn(cc1\C=C(/C#N)C(=O)NCC=C)-c1ccccc1
59441 COc1cc(CN=Nc2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O |w:7.7|
59442 [O-][N+](=O)c1ccc(cc1N1CCOCC1)N1CCN(CC1)C(=O)\C=C\c1ccc(Cl)cc1
59443 COc1ccc(CC(=O)Oc2cc(C)[nH]c(=O)c2[N+]([O-])=O)cc1
59444 COc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccco3)C2=O)cc1
59445 Cc1nn(c(C)c1Sc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccc(Cl)cc1
59446 COC(=O)c1ccc(cc1)C(=O)NC(=S)Nc1nc2CCCCc2s1
59447 COc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
59448 COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)cn3)nc2c1
59449 COc1ccc(Cl)cc1NC(=O)CNc1ccccc1F
59450 Cc1ccccc1Oc1nnc(-c2cccs2)c2ccccc12
59451 Cc1cc(NC(=O)Cc2csc(n2)-c2ccccc2)ccc1Br
59452 CCSc1nnc(NC(=O)c2cc(n[nH]2)-c2ccc(C)c(C)c2O)s1
59453 Cc1ccc(cc1)S(=O)(=O)c1cn(CC(=O)Nc2ccccc2)c2ccc(F)cc2c1=O
59454 COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C2(C)C=CC=CN12 |c:4,22,24,t:14|
59455 Cc1cccc(c1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
59456 Cc1ccc(cc1)-c1nc(NC(=O)CSc2ccc3ccccc3n2)ns1
59457 Fc1cccc(Cl)c1CN(C1=NC2CS(=O)(=O)CC2S1)c1ccccc1F |t:11|
59458 Clc1ccc(CNC(=O)c2ccc3nc[nH]c3c2)cc1
59459 [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-[#6](=O)-c1ccccc1F
59460 C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccc(C)cc1
59461 CCOc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
59462 CCOc1ccccc1NC(=O)C1C(NC(=S)N=C1C)c1cccs1 |c:18|
59463 COC(=O)\C=C\C(=O)N1CCN(CC1)c1ccccc1
59464 COc1ccc(CN=Nc2nc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
59465 CC(=C)C1CC=C(C)C(C1)=NNC(=O)CNc1ccc(C)cc1C |w:10.11,t:5|
59466 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=S)Nc1cc(ccc1C)S(=O)(=O)N(C)C |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
59467 Cc1cc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)n(n1)-c1ccccc1
59468 Cc1cc(=O)oc2cc(OCc3ccc(cc3)C(=O)N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)ccc12
59469 COc1ccc(CCC(=O)OCC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)cc1
59470 CCN(CC)c1ccc(cc1NC(=O)CSc1cccc[n+]1[O-])S(=O)(=O)N1CCOCC1
59471 COc1cc(cc(NC(=O)c2cccs2)c1OC)C(O)=O
59472 CC(C)CC(CC(C)C)N=Nc1nc(C)cc(=O)[nH]1 |w:9.8|
59473 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)c1c(C)cc2ccccn12
59474 COc1ccc(OC)c(C=NNC(=O)c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)c1
59475 CC(C)(Nc1ccccc1)C(=O)c1ccccc1
59476 Clc1cn(Cc2ccccc2)c(=O)c(NCCC#C)n1
59477 Cc1ccccc1N1CCN(CC1)c1ccc(NC(=O)\C=C/C(O)=O)cc1
59478 COc1cc2cnc(Cl)nc2cc1OC
59479 Cc1ccc(cn1)C(=O)N\N=C\c1ccccc1[N+]([O-])=O
59480 Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(cc1)S(=O)(=O)NCC1CCCO1
59481 CN(C)C(=O)c1ccc(C)c(c1)S(=O)(=O)Nc1ccc(C)c(C)c1
59482 OC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccccc1O
59483 COc1ccc(CC2(CO)CCN(Cc3cnn(C)c3)CC2)cc1
59484 CCN(Cc1ccccc1)C(=O)\C=C\c1ccccc1[N+]([O-])=O
59485 Brc1ccc(C(=O)NCCCN2CCOCC2)c(Br)c1
59486 Cn1ncc(Cl)c1C(=O)N1CCN(CC1)C(=O)c1ccco1
59487 COc1ccc(\C=C(/NC(=O)c2ccccc2Cl)C(=O)NCCCC(O)=O)cc1
59488 CCc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
59489 O=C(CC=Nc1ccc(Nc2ccccc2)cc1)c1cccs1 |w:4.4|
59490 CCOC(=O)C1(CCCc2ccccc2)CCN(CC1)C(=O)C1=C(C)OCCO1 |c:24|
59491 OCC1(CCc2ccccc2)CCN(Cc2ccc(OC(F)F)cc2)CC1
59492 CC(=O)NCCc1nc2ccccc2n1CCc1ccccc1
59493 CC(SCc1ccccc1)C(=O)NCc1ccccn1
59494 CC(C)N(CCO)CC#CCC(O)(c1ccccc1)c1ccccc1
59495 CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccccc1F)c1ccncc1
59496 [H]C12C3C(C(=O)N(C3=O)c3ccncc3)C([H])(c3ccccc13)c1ccccc21 |TLB:24:23:3.2:22.17,7:2:28.23:22.17,18:17:3.2:28.23,THB:27:28:3.2:22.17,4:3:28.23:22.17,21:22:3.2:28.23,(12.76,1.63,;12.07,1.02,;8.39,-.61,;9.13,-1.89,;8.14,-2.98,;8.45,-4.42,;6.8,-2.38,;6.95,-.92,;5.85,.07,;5.52,-3.12,;4.24,-2.38,;2.96,-3.12,;2.96,-4.6,;4.24,-5.33,;5.52,-4.6,;11.69,-.41,;12.3,.27,;10.24,2.27,;8.9,3.02,;8.89,4.56,;10.22,5.33,;11.55,4.55,;11.52,3.01,;14.4,-1.53,;15.47,-2.64,;16.96,-2.25,;17.36,-.76,;16.26,.32,;14.78,-.1,)|
59497 [#6]-[#6]C1([#6])[#8]\[#6](=[#6]/[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)-[#6]=[#6](-[#8]1)-c1ccccc1 |c:18|
59498 Cc1cc(CNC(=O)COc2ccccc2)c2ccccc2n1
59499 CN(Cc1ccccc1)C(=O)c1ccc2SC(N3CCOCC3)C(=O)Nc2c1
59500 Brc1ccc(NC(=S)N2CCn3cccc3C2c2cccnc2)cc1
59501 c1coc(c1)-c1n[nH]cc1N=Nc1ccccc1 |w:11.13|
59502 CN(CC(O)=O)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
59503 CC(=O)c1cnc(s1)-c1ccccc1
59504 COc1ccccc1CNC(=O)COC(=O)Cc1ccsc1
59505 Cc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C
59506 CC1CN(CC(C)O1)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
59507 CCOC(=O)NN=Cc1ccc(Oc2ccccc2)cc1 |w:6.5|
59508 OC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl
59509 Clc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2[nH]1
59510 CN1CCN(CC1)c1cc2nc(C)n(Cc3ccccc3)c(=O)c2cc1NC(=O)Cc1ccccc1
59511 CC(=O)NC(c1ccco1)c1ccc2cccnc2c1O
59512 FC(F)(F)c1cc(c2ccc(nc2n1)C(C#N)c1ccccc1)C(F)(F)F
59513 CCOc1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
59514 COc1ccc([CH+][N-]NS(=O)(=O)c2ccc(F)cc2)cc1COc1cc(F)ccc1[N+]([O-])=O
59515 COc1ccc(NC(=O)c2c(N)c(sc2Nc2ccccc2)C(=O)c2ccc(F)cc2)cc1
59516 Cc1sc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccccc1
59517 CC(C)N1C(=O)N(Cc2ccco2)C(=O)\C(=C/C=C/c2ccco2)C1=O
59518 ClC(Cl)C(=O)N1C(COc2ccccc12)c1ccccc1
59519 C[C+](Cn1nnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccc(Cl)c(Cl)c1
59520 Cc1cc(C)cc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)c1
59521 CCCn1c(C)cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c1C
59522 CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)c(F)c4)c3)sc2c1
59523 COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)c1cc(C)n(c1C)-c1ccccc1
59524 Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC=C
59525 CC(=O)Nc1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc(C)n(Cc2ccccc2)c1C
59526 ClCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
59527 O=C1NC(=O)\C(=C/C=C/c2ccco2)C(=O)N1Cc1ccco1
59528 CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3cc(F)ccc3C)c(C)c12
59529 CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)NCc2ccco2)n1
59530 Cc1nonc1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
59531 Cc1ccc(cc1F)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
59532 Oc1c(Br)cc(Br)cc1C=NNC(=O)CNC(=O)c1cccc(Br)c1 |w:10.11|
59533 Nc1nonc1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
59534 COCC(C)n1c(C)cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c1C
59535 Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1Cc1ccco1
59536 NC(=O)c1ccc(N2CCN(CC2)S(=O)(=O)c2ccccc2)c(c1)[N+]([O-])=O
59537 Cc1cc(C(=O)COc2cccnc2[N+]([O-])=O)c(C)n1Cc1cccs1
59538 COC(=O)c1ccc2c(c1)nc(CCl)[nH]c2=O
59539 Cc1c(Nc2c3ccccc3nc3ccccc23)c(=O)n(-c2ccccc2)n1C
59540 O=C1NC(=O)\C(=C/C=C/c2ccco2)C(=O)N1Cc1ccccc1
59541 COC(=O)c1scc(c1NN=C(C#N)C(=O)c1ccc(Cl)cc1)S(=O)(=O)C(C)C |w:10.10|
59542 Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
59543 CC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
59544 CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
59545 CC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1ccc2cccnc2c1O
59546 Cc1c(OCc2ccccc2Cl)ccc2c(C)c(CCC(O)=O)c(=O)oc12
59547 COc1cc(\C=C2\C(=O)NN(C2=O)c2cccc(Cl)c2)cc(Br)c1O
59548 Cc1nc2c(cnn2c(N)c1-c1ccc(F)cc1)-c1ccc(Cl)cc1
59549 COc1cccc(c1)C(=O)Nc1sc2CCCCc2c1C(O)=O
59550 COc1ccc2c3ccc(OCc4ccc(cc4)C(O)=O)c(C)c3oc(=O)c2c1
59551 CCS(=O)(=O)C1=NN2C(S1)=NC(=O)C(=Cc1ccc(OCCOc3cccc(OC)c3)c(OC)c1)C2=N |w:14.15,c:10,t:5|
59552 COc1cccc(C=NNC(=O)c2c(C)nc3ccc(Cl)cn23)c1O |w:8.8|
59553 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc(F)c1 |w:14.16|
59554 COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1OC
59555 COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
59556 OC(=O)c1c(NC(=O)\C=C\c2cccs2)sc2CCCCc12
59557 COc1ccc(CNc2ncnc3sccc23)cc1OC
59558 Cc1nc(SCCC(O)=O)c2cc(sc2n1)-c1ccccc1
59559 CCOc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(O)=O)nc2ccccc2c1=O |(4.41,-2.55,;5.75,-1.78,;7.08,-2.55,;7.08,-4.09,;5.75,-4.86,;5.75,-6.4,;7.08,-7.17,;8.41,-6.4,;8.41,-4.86,;9.75,-4.09,;9.75,-2.55,;8.41,-1.78,;8.41,-.24,;7.08,.53,;5.75,-.24,;7.08,2.07,;5.75,2.84,;4.41,2.07,;3.08,2.84,;3.08,4.38,;4.41,5.15,;5.75,4.38,;7.08,5.15,;7.08,6.69,;8.41,4.38,;11.08,-1.78,;12.42,-2.55,;13.79,-1.73,;15.19,-2.52,;15.19,-4.12,;13.79,-4.91,;12.42,-4.09,;11.08,-4.86,;11.08,-6.4,)|
59560 CC1CCc2c(C1)sc(NC(=O)c1cccs1)c2C(O)=O
59561 Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2O)cc1 |w:13.12|
59562 Oc1cccc(CN=Nc2ccc(Cl)nn2)c1O |w:8.8|
59563 Oc1c(Br)cc(Br)cc1CN=Nc1ccc(Cl)nn1 |w:10.10|
59564 COc1ccc(C)cc1NC(=O)c1sc2ncnc(N3CCN(CC3)c3ccccn3)c2c1C
59565 CCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n(C)n1
59566 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2SC(C)CN(C(C)=O)c2c1
59567 Clc1ccc2Oc3ncccc3C(=O)N(CC(=O)NCCCc3ccccc3)c2c1
59568 COc1cc(ccc1Br)S(=O)(=O)NCc1ccncc1
59569 CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
59570 COc1cccc(OCc2cc(no2)C(=O)NCc2cnc3ccccn23)c1
59571 Cc1cc(ccc1NC(=O)COc1ccccc1Cl)C(=O)Nc1ccccc1C(O)=O
59572 COc1ccc(cc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)S(=O)(=O)c1ccc(NC(C)=O)cc1
59573 COc1ccc(cc1)-c1cc(=O)oc2cc(OCC(=O)Nc3ccc(CCO)cc3)ccc12
59574 COCCN(Cc1ccccc1)C(=O)c1cc(nc2ccccc12)-c1ccc(OC)c(OC)c1
59575 NC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCCc12
59576 Cc1nc2cc(NC(=O)c3ccc(s3)[N+]([O-])=O)ccc2s1
59577 COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1
59578 S=c1[nH]nc([nH]1)C1CCCCC1
59579 CC1(C)N([O-])C(=C[N+]1=O)c1cccs1 |c:5|
59580 C(Nc1nnc[nH]1)c1ccc2OCOc2c1
59581 CCOc1ccc(NC(=O)CSc2nnnn2CC(O)=O)cc1
59582 CCOc1ccc(Nc2nc(Cc3nnc(SCC(O)=O)o3)cs2)cc1
59583 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(O)=O)cc1
59584 CCCOc1ccc(NC(=O)C2CN(C(C)C)C(=O)C2)cc1
59585 CCN(CC)c1ccc(NC(=O)Cn2nnc(n2)-c2cccc(OC)c2OC)c(C)c1
59586 CCOc1ccc(NC(=O)COC(=O)c2cccnc2)cc1
59587 OC(=O)CSc1nnc(CNc2cccc(c2)C(F)(F)F)n1Cc1ccco1
59588 CC(C)c1c(O)nc(SCC(=O)Nc2ccc3CCCc3c2)[nH]c1=O
59589 CCCCc1c(O)nc(SCC(=O)Nc2ccc3CCCc3c2)[nH]c1=O
59590 COc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1
59591 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSc1ccccc1
59592 O=C(CSc1nnc(o1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)NCC1CCCO1
59593 Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1F
59594 COc1ccc(NC(=O)CC(Cc2ccccc2)C(O)=O)cc1
59595 CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1
59596 CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)[nH]2)sc2CCCc12
59597 CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NCc4ccco4)n3CC)cs2)cc1
59598 OC1(CCCCC1)c1cn(Cc2ccccc2)nn1
59599 N=C1Oc2[nH]nc(c2C(C1C#N)c1cccnc1)-c1ccccc1
59600 Cc1cc(C)cc(NC(=O)C2CCN(CC2)c2nc(C)cc(C)n2)c1
59601 CCOc1ccc(cc1)-n1c(O)cc(SCCN)c1O
59602 CCCOc1ccc(cc1)-n1c(O)cc(SCCN)c1O
59603 Cc1ccc(cc1)S(=O)(=O)Nc1nncs1
59604 OC(=O)c1ccccc1NC(=O)CSc1nnc[nH]1
59605 CCc1c(O)nc(SCC(=O)Nc2ccc3CCCc3c2)[nH]c1=O
59606 Cc1ccc(cc1)C(=O)CSc1nnc[nH]1
59607 O=c1[nH][nH]c(c1C(C(C#N)C#N)c1ccsc1)-c1ccccc1
59608 COc1ccc(cc1)C1Cc2nc(N)sc2C(=O)C1
59609 Oc1cc(Cl)ccc1-c1n[nH]cc1C(=O)c1ccco1
59610 CCOC(=O)CCP(O)(O)C(=O)c1ccc(OC)cc1
59611 CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1[nH]nc(CSc3ccc(C)cc3)c21
59612 Cc1ccc(NC2SC(=O)N(Cc3cccc(c3)C(O)=O)C2=O)cc1
59613 OC(=O)c1cccc(CN2C(=O)SC(Nc3ccccc3)C2=O)c1
59614 Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1
59615 S=c1[nH]c(nn1-c1ccccc1)-c1ccccc1
59616 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccco1
59617 O=NCc1cn(CC(=O)N2CCOCC2)c2ccccc12
59618 OC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccs1
59619 CC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(O)=O
59620 OC(=O)C1CCN(CC1)c1nc(nc2c3ccccc3oc12)-c1ccccc1
59621 CCCCc1ccc(NC(=O)N[C@@H](C(C)CC)C(O)=O)cc1
59622 CCCCc1ccc(NC(=O)N[C@@H](C(C)C)C(O)=O)cc1
59623 COc1ccc(cc1)-n1c(SCC(=O)Nc2ccc(cc2)C(O)=O)nnc1-c1cccs1
59624 O=c1cc(nc2nc(SCc3ccccc3)[nH]n12)-c1ccccc1
59625 Cc1c(OCc2nnn[nH]2)ccc2c(cc(=O)oc12)-c1ccccc1
59626 Clc1cccc(c1)S(=O)(=O)Nc1nc2ccccc2nc1NCCN1CCOCC1
59627 COc1ccc(NC(=O)CSc2cc(O)n(c2O)-c2ccc3OCCOc3c2)cc1
59628 OC(=O)C1CC=CCC1C(=O)Nc1ccccc1Cl |c:5|
59629 COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1
59630 Nc1cc(N)nc(SCC(=O)Nc2ccc3OCCCOc3c2)n1
59631 O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2CCCc2c1
59632 Oc1ccc(F)cc1C(=O)c1cn[nH]c1
59633 O=C(COC(=O)c1ccccc1OCc1ccccc1)N1CCCC1
59634 Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)c1
59635 CC(C)NC(=O)c1cc(coc1=N)C(=O)c1cc(Cl)ccc1O
59636 Cc1cc(C)c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(Cl)c1
59637 OC(=O)c1cccnc1SCC(=O)NCc1ccc(F)cc1
59638 CC1CCCC(C)N1C(=O)COC(=O)c1cc(C)oc1C
59639 CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)n1
59640 C=CCn1c(SCC(=O)NCc2ccc3OCOc3c2)nnc1C1COc2ccccc2O1
59641 Cn1ccnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
59642 Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
59643 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)NCc1ccco1
59644 Cc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)c(C)c1
59645 CC(=O)c1ccc(OCCCC(=O)n2nnc3ccccc23)cc1
59646 O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2CCCc2c1
59647 COC(=O)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1
59648 Clc1ccc(cc1)S(=O)(=O)\C=C1\NC(=O)CS1
59649 Cn1c(SCC(=O)NCc2ccc3OCOc3c2)nnc1C1COc2ccccc2O1
59650 CC1CCN(CC1)C(=O)COC(=O)c1cc(C)oc1C
59651 COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccco1 |c:11|
59652 Nc1[nH]ncc1C(=O)Nc1cccc(c1)C(F)(F)F
59653 O=C(CN1c2ccccc2SCCC1=O)Nc1ccc2OCCOc2c1
59654 Cc1nnc(SCC(=O)Nc2cccc(c2)C(F)(F)F)[nH]c1=O
59655 OC(=O)C1CCCN1C(=O)CNC(=O)OC1CCCCC1
59656 CCCc1[nH]nc2OC(=N)C(C#N)C(CCc3ccccc3)c12
59657 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ccn(Cc2ccc(C)cc2)n1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
59658 O=c1[nH][nH]c(=O)c2cc(ccc12)N1CCCC1
59659 Oc1cc(=O)[nH]c(SCC(=O)Nc2ccc3CCCc3c2)n1
59660 COc1ccc(CC(CC(O)=O)C(=O)Nc2ccccc2)cc1
59661 Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccnc1
59662 Clc1ccc(cc1)-c1cc(=O)[nH][nH]1
59663 Cc1cccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)c1
59664 O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
59665 COc1ccc(CC(CC(O)=O)C(=O)Nc2ccc(OC)cc2)cc1
59666 CCOC(=O)CC(=O)CSc1nc2n(-c3ccccc3)c(=S)sc2c(=O)[nH]1
59667 Fc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccnc1
59668 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)NCC2COc3ccccc3O2)C1=O |c:5,TLB:27:7:2:5.6,THB:9:8:2:5.6|
59669 OC(=O)c1cccnc1SCC(=O)NCCC1=CCCCC1 |t:17|
59670 Fc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccncc1
59671 COc1ccc(OC)c(c1)S(=O)(=O)n1nnc2cc(Cl)ccc12
59672 Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
59673 COc1cc(NS(=O)(=O)c2ccc(NC(=O)CSC3=NCCS3)cc2)nc(OC)n1 |t:18|
59674 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2cccc(c2)C(=O)OCC)C1=O |c:5,TLB:27:7:2:6.5,THB:9:8:2:6.5|
59675 OC(=O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
59676 COc1ccc(OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(O)=O)c1 |c:14|
59677 CCSc1nnc(NC(=O)C2CCCCC2C(=O)OCC(F)(F)C(F)F)s1
59678 Nc1[nH]nc2nc(nc(-c3ccccc3)c12)N1CCOCC1
59679 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)Nc2ccc3OCCOc3c2)C1=O |c:5,TLB:26:7:2:5.6,THB:9:8:2:5.6|
59680 O=C(NCC1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)N1CCCCC1
59681 CCN(CC)S(=O)(=O)N1CCC(CC1)C(=O)NCC1COc2ccccc2O1
59682 OC(=O)Cn1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1
59683 Cc1ccc(NC(=O)CSc2nc3CCCc3c(=O)[nH]2)cc1C
59684 COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
59685 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)nc(C)n1
59686 CC(C)Oc1ccc(cc1)C(CC(O)=O)NC(=O)CSc1nnc[nH]1
59687 Cc1cc(c(C)s1)S(=O)(=O)Nc1cccc(O)c1
59688 CCOc1ccc(cc1)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1
59689 Cc1nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c2[nH]1
59690 CC1CC(=O)N(CC(=O)Nc2ccc3OCOc3c2)c2ccccc2S1
59691 CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
59692 Cn1c(C(O)=O)c(CC(=O)NCC2COc3ccccc3O2)c2ccccc12
59693 CCCCc1ccc(cc1)C(=O)NC(C(C)C)C(O)=O
59694 COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1
59695 O=C(Cn1cnc2ccccc2c1=O)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
59696 OC(=O)C1CCCCC1C(=O)Nc1ccc2CCCc2c1
59697 O=C(CSc1nc(cc(=O)[nH]1)-c1ccccc1)Nc1ccccn1
59698 Cc1ccc(OCC(=O)Nc2ccc(O)c(c2)C(O)=O)cc1C
59699 CC(C)OC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1
59700 CCOc1c(Br)cc(CNc2nnc[nH]2)cc1OC
59701 Clc1ccc(cc1Cl)-c1cc(=O)[nH][nH]1
59702 COc1ccc(NC(=O)CSc2c(C)nn(c2C)-c2nnc(C)c(=O)[nH]2)cc1
59703 Clc1cc(NC(=O)CSc2nccc(=O)[nH]2)ccc1Br
59704 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C
59705 Cc1cc(C)c(C#N)c(SCC(O)CS(=O)(=O)Cc2ccccc2)n1
59706 COc1ccccc1N1CCN(CC1)C(=O)CSc1nc(cc(=O)[nH]1)-c1ccccc1
59707 Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)[nH][nH]1
59708 CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(c3)C(O)=O)cc12
59709 COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc[nH]2)c1
59710 COc1ccc(NC(=O)CSc2[nH]c(=O)cc(C)c2C#N)cc1OC
59711 COC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
59712 Cc1occc1C(=O)Nc1sc2CCCCCc2c1C(N)=O
59713 COC(=O)c1cc(NC(=O)C2CC=CCC2C(O)=O)cc(c1)C(=O)OC |c:12|
59714 CCSc1nnc(NC(=O)C2(C)Cc3ccccc3C(=O)O2)s1
59715 OC(=O)C1CC=CCC1C(=O)Nc1cc(Cl)ccc1Cl |c:5|
59716 CC1CCCCN1C(=O)CSc1nc(cc(=O)[nH]1)-c1ccccc1
59717 COc1cccc(CNc2nnn[nH]2)c1OC
59718 O=C(CSc1nnc[nH]1)Nc1sccc1C#N
59719 CCOc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:12|
59720 CC1(CC(C)(CC(C)(C1)C(O)=O)C(O)=O)C(O)=O
59721 CCOC(=O)c1sc(NC(=O)CSc2nnc[nH]2)c(C#N)c1C
59722 O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc2OCOc2c1
59723 CCOc1ccc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)cc1 |c:16|
59724 Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(c2)C(F)(F)F)n1
59725 Cc1ccc(SCc2n[nH]c3OC(=N)C(C#N)C4(CCSCC4)c23)cc1
59726 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1ccc(cc1)C(=O)OCC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
59727 COc1ccc(CNc2nc3nc(cc(=O)n3[nH]2)-c2ccccc2)cc1OC
59728 CCN(CC)CC(=O)c1ccc(cc1)-c1ccccc1
59729 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc4OCOc4c3)cc2)no1
59730 COc1ccc2sc(nc2c1)-n1c(O)c2CC=C(C)Cc2c1O |t:18|
59731 COc1ccc(NC(=O)CSc2nccc(C)n2)cc1
59732 Fc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1Cl
59733 Cc1ccc(C)c(NC(=O)C2CC(Cl)=CCC2C(O)=O)c1 |c:13|
59734 CCOc1cccc(c1)-c1cc(=O)[nH][nH]1
59735 O=c1cc(nc2nc(COc3ccccc3)[nH]n12)-c1ccccc1
59736 O=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1
59737 CC1=C(C)CC(C(C1)C(O)=O)C(=O)Nc1cccc(Cl)c1 |c:1|
59738 O=C(CSc1nnc[nH]1)Nc1cccc2ccccc12
59739 COc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)cc1
59740 [H]C12CCC([H])(C1)C(C2)NC(=O)CN1C(=O)c2ccccc2S1(=O)=O |TLB:9:7:6:3.2|
59741 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1
59742 OC(=O)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1
59743 CCN(CC)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1
59744 CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C
59745 CCN(CC)c1ccc(NC(=O)Cn2cc3CC(C)CCc3n2)c(C)c1
59746 COc1cccc2c1ccn(CC(=O)N1CCCCCC1)c2=O
59747 Cc1csc2ncc(C(=O)Nc3ccc(cc3)S(=O)(=O)Nc3cc(C)nc(C)n3)c(=O)n12
59748 O=C(CSc1nnc([nH]1)-c1ccccc1)c1ccccc1
59749 CCc1nnc(NC(=O)C(C)Sc2ccccc2)s1
59750 CCOC(=O)CSC(C)C(=O)Nc1nnc(s1)C(C)C
59751 Cc1ccccc1NC(=O)CSc1[nH]c(=O)cc(C)c1C#N
59752 ONC(=N)CSc1nc(c(o1)-c1ccccc1)-c1ccccc1
59753 OC(=O)c1cccc(c1)C(=O)Cc1ccccc1
59754 C\C(=C/c1ccco1)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
59755 CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(O)=O)cc1 |t:13|
59756 Brc1ccccc1C(=O)Nc1nncs1
59757 CCc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:11|
59758 CC(C)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
59759 OC(=O)C1CC=CCC1C(=O)Nc1cccc(F)c1 |c:5|
59760 CCc1ccccc1NC(=O)CSc1nnc[nH]1
59761 CCc1ccc(cc1)C(=O)CSc1nnc(C)[nH]1
59762 CCCCCOc1ccc(NC(=O)CCCC(O)=O)cc1
59763 Cc1ccc(C)c(NC(=O)C2CC=CCC2C(O)=O)c1 |c:12|
59764 Cc1ccc(C=c2sc3nnc(-c4ccccc4Cl)n3c2=O)o1
59765 CSCCC(NC(=O)c1c(C)oc2CCCCc12)C(O)=O
59766 COc1ccc(cc1NC(=O)C1CC=CCC1C(O)=O)C(C)(C)C |c:14|
59767 COc1ccc(NC(=O)C(CC(O)=O)Cc2ccccc2)cc1
59768 Cn1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O
59769 CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1
59770 COc1ccc(NC(=O)CSc2nc(O)c(Cc3ccccc3)c(=O)[nH]2)cc1
59771 OC(=O)C1CC=CCC1C(=O)Nc1cccc(Cl)c1 |c:5|
59772 CCSc1nnc(NC(=O)C2CC=CCC2C(O)=O)s1 |c:12|
59773 COc1ccccc1NC(=O)CSc1nnc[nH]1
59774 CCc1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
59775 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
59776 COc1ccc(cc1)N1Nc2[nH]nc(N)c2N1
59777 CC1(C)C(CCC1(C)C(O)=O)C(=O)Nc1ccc2ccccc2c1
59778 CC1=C(C)CC(C(C1)C(O)=O)C(=O)NCCc1ccccc1 |c:1|
59779 O=c1[nH]c(=S)[nH]c(-c2ccccc2)c1C#N
59780 CC(C)CC1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
59781 Nc1cc(=O)nc(SCC(=O)Nc2ccc3ccccc3c2)n1CC=C
59782 N=C1Oc2[nH]nc(c2C(C1C#N)c1ccsc1)-c1ccccc1
59783 CCOc1ccc(NC(=O)CSCC(O)=O)cc1
59784 COc1ccc(cc1)C(=C)c1sc(=S)n(CCC(O)=O)c1O
59785 Cc1noc(NS(=O)(=O)c2ccc(cc2)N=CCC(=O)c2ccc3OCOc3c2)c1C |w:15.15|
59786 Cc1ccc(NC(=O)c2cc(NC(=O)CCC(O)=O)ccc2N2CCCCC2)cc1
59787 CC(=O)Nc1c(O)nc(SCC(=O)Nc2cccc(C)c2)[nH]c1=O
59788 O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1
59789 Brc1ccc(cc1)S(=O)(=O)NP(=O)(Oc1ccccc1)Oc1ccccc1
59790 S=C1NC(N2N1C(NC2=S)c1ccccc1)c1ccccc1
59791 COc1ccc(cc1)-c1cc(=O)[nH][nH]1
59792 COc1ccc2oc(C)c(C(=O)NN)c2c1
59793 C=CCn1c(=S)[nH]c2sc3CCCc3c2c1=O
59794 CCOc1ccc(NC(=O)CSc2nc(C)cc(C)n2)cc1
59795 CCOC(=O)C1CSC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1
59796 Nc1nc2CC(CC(=O)c2s1)c1ccccc1
59797 COc1ccc(NC(=O)CC2COc3ccccc3O2)c(OC)c1
59798 COc1ccccc1NC(=O)CC1COc2ccccc2O1
59799 [O-][N+](=O)c1ccc(Sc2nnc([nH]2)-c2ccccc2)nc1
59800 Cc1ccccc1C(=O)Nc1nncs1
59801 Oc1ccc(cc1)-c1n[nH]c(=S)[nH]1
59802 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=C3CCCC3=O)cc2)n1 |w:16.15|
59803 OC(=O)C1CC=CCC1C(=O)Nc1ccc2OCCOc2c1 |c:5|
59804 CCOC(=O)COc1ncn(n1)-c1ccccc1
59805 Brc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2CC=C)c1
59806 Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C
59807 CCCCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1
59808 S=c1[nH]nc([nH]1)-c1ccco1
59809 O=C(CSc1nnc[nH]1)Nc1ccc2OCCOc2c1
59810 CCCCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC
59811 COc1ccc(CNC(=O)C2CC(C)=C(C)CC2C(O)=O)cc1 |t:13|
59813 CC(C)OC(=O)c1c(C)c(C)sc1NC(=O)C1CC=CCC1C(O)=O |c:19|
59814 OC(=O)C1CCCCC1C(=O)Nc1cccc(Cl)c1Cl
59815 COc1ccc(cc1)-c1cc(=O)oc2cc(OC(C)C(O)=O)ccc12
59816 CCOc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC)cc1
59817 COc1ccc(cc1OC)-c1cc(=O)[nH][nH]1
59818 COC(=O)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
59819 Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(O)c1
59820 CC(Sc1ccc(C)cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
59821 OC(=O)C1CCCCC1C(=O)Nc1cc(Cl)ccc1Cl
59822 OC(=O)C1CC=CCC1C(=O)Nc1ccccc1 |c:5|
59823 [H]C12OC3(CN(Cc4cccs4)C(=O)C3C1C(=O)NCC1COc3ccccc3O1)C=C2 |c:35|
59824 CCOc1ccc(NC(=O)Nc2cccs2)cc1
59825 COc1cccc2c1ccn(CC(=O)N1CCC(C)CC1)c2=O
59826 Sc1nc2cc(Cl)ccc2s1
59827 CCc1cccc(NC(=O)CSCc2cc(=O)[nH][nH]2)c1
59828 OC(=O)C1CC=CCC1C(=O)NCCc1cccc(Cl)c1 |c:5|
59829 COC(=O)c1c(C)c(C)sc1NC(=O)C1CC=CCC1C(O)=O |c:17|
59830 Nc1nc(SCc2nc(no2)-c2ccccc2)[nH]c(=O)c1-c1ccccc1
59831 CCOC(=O)CC(=O)CSc1nc2n(-c3ccc(OCC)cc3)c(=S)sc2c(=O)[nH]1
59832 CCOC(=O)CSc1nc2n(-c3ccccc3)c(=S)sc2c(=O)[nH]1
59833 CCOC(=O)Cn1c(=S)[nH]c2c3cc(Cl)ccc3oc2c1=O
59834 OC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccc2OCOc2c1)NC(=O)c1ccccc1
59835 CC(C)c1nnc(NC(=O)C(C)Sc2nc3ccccc3s2)s1
59836 COc1ccc(cc1)-c1cn[nH]c1N
59837 CCOC(=O)C(CSCC(=O)c1ccc(Br)cc1)NC(=O)OC(C)(C)C
59838 Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
59839 CC(C)Sc1nc(cc(=O)[nH]1)-c1ccccc1
59840 CCc1c(O)nc(SCC(=O)Nc2cccc3ccccc23)n(CC=C)c1=O
59841 CCC(C)n1c(SCC(=O)Nc2ccccc2)nc(O)c(CC)c1=O
59842 COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1
59843 COc1cccc(Nc2ncnc3nc[nH]c23)c1
59844 CCCCc1ccc(NC(=O)CSCc2cc(=O)[nH][nH]2)cc1
59845 Cc1ccc(cc1)C(=O)NN=Cc1sc(=O)n(Cc2cccc(c2)C(O)=O)c1Cl
59846 OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3)sc2=O)c1
59847 CC(C)CCNC(=O)c1ccc2c(SCC(O)=O)c3CCCCc3nc2c1
59848 CSc1nc2nc(cc(=O)n2[nH]1)-c1ccccc1
59849 Cc1ccc(cc1)N(CC(N)=O)C1SC(=O)N(Cc2cccc(c2)C(O)=O)C1=O
59850 Cc1ccc(SCc2cc(=O)[nH][nH]2)cc1
59851 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/[#6]=[#6]-1/[#6]=[#6]-[#7](-[#6])-[#6]=[#6]-1)\C#N |c:9,13|
59852 CC(C)[C@H](Nc1nc(nc2c3ccccc3oc12)-c1ccccc1)C(O)=O
59853 CCC(C)[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(O)=O
59854 Cc1c(O)ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c1O
59855 OC(=O)CCCCCNC(=O)Nc1ccc2OCCOc2c1
59856 [#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](/C#N)-[#6](=O)-[#8]-[#6]-[#6])-[#6]=[#6]-1 |c:4,17|
59857 COc1ccc(Nc2nnc(SCC(=O)N3CCCC3)s2)cc1
59858 CC(Sc1nc(C)cs1)C(=O)Nc1ccc(Cl)cn1
59859 CCOc1ccc(NC(=O)CSc2nc(N)c(-c3ccccc3)c(=O)[nH]2)cc1
59860 Cc1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O
59861 CC(Sc1ccc2OCCOc2c1)C(=O)Nc1ncc(Cl)cc1Cl
59862 CN(CC(=O)Nc1ccc(C)cc1)C(=O)CSc1nnc(N)[nH]1
59863 Cc1ncc(CC(=O)n2cc(cn2)C(=O)c2cc(F)ccc2O)s1
59864 O=C(CSc1nnc[nH]1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
59865 CCc1ccc(cc1)-c1nn(Cc2ccccc2)cc1\C=C\C(O)=O
59866 O=C(CN1C(=O)C2CC=CCC2C1=O)NCC1COc2ccccc2O1 |c:8|
59867 CCNC(=O)NC(=O)C(C)Sc1ccc2OCCOc2c1
59868 COc1cccc(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1O |w:8.8|
59869 CC(=O)Nc1c(O)nc(SCC(=O)Nc2sc3CCCCCCc3c2C#N)[nH]c1=O
59870 Cc1ccc(-c2ccc([CH+][N-]Nc3nc(O)c(CC(O)=O)s3)o2)c(c1)[N+]([O-])=O
59871 O=C(CN1NS(=O)(=O)c2ccccc2C1=O)Nc1cccc(c1)C#N
59872 CCOC(=O)Cc1csc(NC(=O)NC2(Oc3cc(Cl)c(Cl)cc3O2)C(F)(F)F)n1
59873 CCN(CC)c1ccc(NC(=O)COC(=O)c2cccs2)cc1
59874 CC(C)NC(=O)c1cc(coc1=N)C(=O)c1cc(C)ccc1O
59875 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1cccc(c1)-c1ccc(C)o1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
59876 Cc1cccc(NC(=O)CN2NS(=O)(=O)c3ccccc3C2=O)c1
59877 COc1cccc(\C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)c1OCC(O)=O
59878 CC(C)OC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1 |c:13|
59879 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OCC)-c1ccc(F)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
59880 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2C#N)c1C#N
59881 CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cccc(C)c1 |c:12|
59882 CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1 |c:12|
59883 Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc3ccccc23)c1C#N
59884 Cc1sc(NC(=O)C2CCCCC2C(O)=O)c(C(N)=O)c1-c1ccccc1
59885 Cc1cccc(c1)N1CCN(CC1)C(=O)c1ccccc1NC(=O)C1CC=CCC1C(O)=O |c:29|
59886 OC(=O)COc1ccc(Br)cc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O
59887 Cc1ccc(cc1C)C(=O)Nc1ccc(Oc2ccc(C(O)=O)c(c2)C(O)=O)cc1
59888 Cc1ccc(cc1)N=Nc1c2[nH]c(C)cc(=O)n2[nH]c1=O |w:8.9|
59889 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(=O)OC(C)C)-c1ccc(Cl)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
59890 COc1ccc(cc1)-c1n[nH]cc1C=C(C#N)C(=O)NC1CC1 |w:13.14|
59891 Nc1nnc(Nc2ccc(Cl)cc2)[nH]1
59892 CCOC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)c(C)c1 |c:12|
59893 CC(C)c1ccc(cc1)-c1c(C)sc(NC(=O)C2CCCCC2C(O)=O)c1C(N)=O
59894 ClC(C=NNC(=O)Cc1cc(=O)[nH][nH]1)=Cc1ccccc1 |w:3.3,14.15|
59895 OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3Cl)sc2=O)c1
59896 CC(C=NNC(=O)Cc1cc(=O)[nH][nH]1)=Cc1ccccc1 |w:3.3,14.15|
59897 COc1cccc(C=NNC(=O)Cc2c(C)[nH][nH]c2=O)c1OC |w:8.8|
59898 C\C(=C/c1ccco1)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc(C)cc1
59899 COc1ccc(CNC(=O)Cc2c([nH]c3ccccc23)C(O)=O)cc1
59900 CC(CC(=O)Nc1cc(C)ccn1)=NNC(=O)COc1cccc(C)c1 |w:13.14|
59901 COc1ccc(cc1)-n1c(n[nH]c1=S)-c1cccc(C)c1[N+]([O-])=O
59902 Cc1ccc(C)c(NC(=O)CSc2ncnc3nc[nH]c23)c1
59903 Cc1cccc(C)c1NC(=O)CSc1ncnc2nc[nH]c12
59904 O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1
59905 CCOc1cc(\C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(O)=O
59906 Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3ccco3)C2=O)cc1
59907 Clc1ccc(Nc2nnc[nH]2)cc1
59908 O=c1cc(CSc2ccccc2)[nH]c(=S)[nH]1
59909 Clc1cc(Cl)cc(Nc2nnc[nH]2)c1
59910 CC(C)CC(=O)n1sc(NC(=O)c2ccc(C)cc2)nc1=O
59911 Cc1ccc(cc1)C(=O)Nc1nc(=O)n(s1)C(=O)C1CC1
59912 Clc1ccc(C2CC(=O)CC(=O)C2n2cncn2)c(Cl)c1
59913 COc1nccnc1NS(=O)(=O)c1ccc(cc1)N=Cc1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O |w:18.19|
59914 CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)s1 |w:16.16|
59915 OC(=O)C1N=C(C2C(=O)c3ccccc3C2=O)c2c(O)n(c(O)c12)-c1ccccc1 |t:4|
59916 CCc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)NC(C)=O)c2ccccc2n1
59917 OC(=O)C1N=C(C2C(=O)c3ccccc3C2=O)c2c(O)n(c(O)c12)-c1ccc(Cl)cc1 |t:4|
59918 Cc1[nH][nH]c(=O)c1CCC(=O)NN=Cc1ccccc1[N+]([O-])=O |w:12.12|
59919 COc1ccc(cc1)-n1c(SC)nc(O)c(Cc2ccccc2)c1=O
59920 Cc1ccc(cc1)S(=O)(=O)NC(=O)CSc1nc2ccccc2s1
59921 COc1ccc(NC(=O)CSc2nnc[nH]2)c(c1)[N+]([O-])=O
59922 OC(=O)c1ccc(COc2ccc3ccccc3c2C=C2NC(=O)N(C2=O)c2ccccc2)cc1 |w:19.20|
59923 Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:24|
59924 [H]C12CCC([H])(C1)C1C2C(=O)N(CCC(=O)Nc2cc(C)c(Br)cc2C)C1=O |TLB:9:8:6:3.2,THB:26:7:6:3.2|
59925 CSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 |w:12.12|
59926 Cc1[nH][nH]c(=O)c1CCC(=O)NN=CC(Br)=Cc1ccccc1 |w:12.12,16.17|
59927 [H]C12CCC([H])(C1)C(C2)C(=O)NNC(=O)c1sc2ccccc2c1Cl |TLB:9:7:6:3.2|
59928 OC(=O)CC(Cc1ccccc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
59929 OC(=O)c1ccc(Cl)cc1NC(=O)\C=C\c1ccco1
59930 CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccc(C)cc2)cc1
59931 CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
59932 OC(=O)c1cnn2cc(cnc12)-c1n[nH]cc1[N+]([O-])=O
59933 OC(=O)\C=C\C(=O)Nc1ccc(Oc2ccc(NC(=O)\C=C\C(O)=O)cc2)cc1
59934 OC(=O)c1cccc(c1)-c1ccc(C=NNC(=O)c2cccnc2)o1
59935 O=C(N1CCOCC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
59936 [H]C12CCC([H])(C=C1)C1C2C(=O)N(N\C=C2\C=CC(=O)C(O)=C2)C1=O |c:6,18,23,TLB:10:9:3.2:6.7,THB:23:8:3.2:6.7|
59937 Clc1ccccc1C(=O)NNC(=S)NC(=O)c1cccnc1
59938 OC(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
59939 Nc1n[nH]c(N)c1N=Nc1ccc(Cl)cc1 |w:8.9|
59940 Clc1cccc(Cl)c1C=NNC(=O)Cc1cc(=O)[nH][nH]1 |w:9.10|
59941 CC(=NNC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc2ccccc2c1 |w:2.2|
59942 CCOC(=O)c1cnn2cc(cnc12)-c1n[nH]cc1[N+]([O-])=O
59943 COc1nccnc1NS(=O)(=O)c1ccc(cc1)N=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:18.19|
59944 OC(=O)COc1ccc(\C=C2/SC(=Nc3nccs3)N(CC=C)C2=O)cc1
59945 Cc1[nH]c(C(=O)NN=Cc2ccc(cc2)C(O)=O)c(C)c1C(=O)NN=Cc1ccc(cc1)C(O)=O
59946 Oc1cc(=O)c2sc3nc(cc(c3c2[nH]1)C(F)(F)F)-c1cccnc1
59947 Oc1ccccc1C=NNC(=O)CSc1n[nH]c(=O)[nH]c1=O |w:8.9|
59948 O=C(CSc1n[nH]c(=O)[nH]c1=O)NN=Cc1ccccc1 |w:13.13|
59949 [O-][N+](=O)c1cccc(c1)-c1cc(=O)[nH][nH]1
59950 COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(cc1OC)C(O)=O
59951 COc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)c(cc1OC)C(O)=O
59952 CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
59953 COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O
59954 OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1
59955 CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)s1 |w:16.16|
59956 CCc1nnc(NS(=O)(=O)c2ccc(cc2)N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)s1 |w:16.16|
59957 COCCNC(=O)C(=C\c1ccc(o1)N1CCOCC1)\C#N
59958 [O-][N+](=O)c1ccccc1C(=O)NC(=S)NNS(=O)(=O)c1ccccc1
59959 CCCCCC(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O
59960 CC(C)c1ccc(NC(=O)CSc2ncccc2C(=O)Oc2cccc(c2)[N+]([O-])=O)cc1
59961 CCN(CC)c1ccc(NC(=O)CSc2ccsc2[N+]([O-])=O)c(C)c1
59962 CCSC1=NSC2=NC(=O)\C(=C/c3cccs3)C(=N)N12 |t:3,6|
59963 CSC1=NSC2=NC(=O)\C(=C/c3cccs3)C(=N)N12 |t:2,5|
59964 CC(CCC1CC(C)OC1=O)N=Nc1nc(cs1)-c1ccccc1 |w:11.11|
59965 Cc1ccc(NC(=O)CSc2ncccc2C(=O)Oc2cccc(c2)[N+]([O-])=O)cc1Cl
59966 CC(C)(C)c1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1 |w:9.8|
59967 CCS(=O)(=O)c1nn2c(N)c(\C=C3\C=CC(=O)C(OC)=C3)c(=O)nc2s1 |c:13,19|
59968 CCSc1nnc(-c2ccccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 |w:13.13|
59969 CC(=O)NS(=O)(=O)c1ccc(cc1)\N=c1/ssc2c1-c1cc(C)c(C)cc1NC2(C)C
59970 COc1ccc2n(C)c(C)c(C(=O)NN=Cc3ccc(O)c(O)c3)c2c1 |w:14.13|
59971 OC(=O)CC12C[C@@H]3C[C@H](C1)CC(C3)(C2)n1ncc(N2CCN(CC2)c2ccccc2)c(Cl)c1=O |TLB:7:8:13:6.5.12|
59972 CC(C)(C)OC(=O)C1=[N+]2N[CH-]c3ccccc3C2C2([C@H]1c1ccc(cc1)[N+]([O-])=O)C(=O)c1ccccc1C2=O |c:7|
59973 C\C(\C=C1/SC(=O)N(CCCC(O)=O)C1=O)=C/c1ccccc1
59974 Cc1onc(c1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1)-c1ccccc1
59975 COc1cc(\C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O
59976 COc1ccc2cc(C=C3SC(S)=NC3=O)c(nc2c1)N1CCOCC1 |w:8.7,c:12|
59977 Cc1[nH][nH]c(=O)c1CCC(=O)NN=CC=Cc1ccccc1 |w:12.12,15.16|
59978 COc1ccccc1C=CC=NNC(=O)CCc1c(C)[nH][nH]c1=O |w:11.12,8.8|
59979 CC(CC1CC(C)(C)OC1=O)N=Nc1nc(cs1)-c1ccccc1 |w:11.11|
59980 Fc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(F)cc4)[nH]c(=O)c3C2)cc1
59981 CC1SCC(=O)N(CC(=O)Nc2ccc3OCOc3c2)C1=O
59982 COc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1
59983 CC1SC(C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O
59984 CCOC(=O)c1ccc(NC(=O)CN2C(=O)CSCC2=O)cc1
59985 Cc1ccc(NC(=O)CSc2ncc(c(=O)[nH]2)S(=O)(=O)c2ccccc2)cc1C
59986 CCOc1ccc(NC(=O)Cc2ccccc2)c(c1)[N+]([O-])=O
59987 CCc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1
59988 CCOc1ccc(NC(=O)CSc2nnc[nH]2)c(c1)[N+]([O-])=O
59989 CC(C)(C)c1cc(CCC(=O)NNC(=S)NC(=O)c2ccccc2)cc(c1O)C(C)(C)C
59990 Cc1cc(C(=O)NS(=O)(=O)c2ccc(C)cc2)c(C)n1-c1ccc(C)cc1
59991 O=C(CSc1nnc(NC2CCCCC2)s1)NN1C(=O)NC2(CCCCC2)C1=O
59992 OC(=O)CCC(=NNC(=O)c1cccs1)c1ccccc1 |w:6.6|
59993 CC1=C(C)CC(C(C1)C(O)=O)C(=O)NNC(=O)c1csc2CC(CCc12)C(C)(C)C |c:1|
59994 OC(=O)C1CC=CCC1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 |c:5|
59995 Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O
59996 OC(=O)CCC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1cccc2ccccc12
59997 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccccc1C(O)=O)c1cccc(Cl)c1C
59998 Cc1cc(C)cc(NC(=O)CSc2ncc(c(=O)[nH]2)S(=O)(=O)c2ccccc2)c1
59999 Cc1cccc(c1)C(=O)NC(=S)NNC(=O)COc1c(C)cccc1C
60000 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1C1CC1
60001 CC(=NNC(=O)Cc1c(C)[nH][nH]c1=O)c1ccc(O)cc1 |w:2.2|
60002 COc1cc(ccc1O)C(C)=NNC(=O)Cc1c(C)[nH][nH]c1=O |w:11.12|
60003 CC(=NNC(=O)CCc1c(C)[nH][nH]c1=O)c1ccc(cc1)[N+]([O-])=O |w:2.2|
60004 OC(=O)COc1ccc(\C=C\c2ccc3cccc([N+]([O-])=O)c3n2)cc1
60005 Clc1cccc(C=NNC(=O)Cc2cc(=O)[nH][nH]2)c1Cl |w:7.7|
60006 Oc1ccc(C=NNC(=S)Nc2cccnc2)cc1O |w:6.6|
60007 OC(=O)c1ccc(\C=C2/CCC\C(=C/c3ccc(cc3)C(O)=O)C2=O)cc1
60008 Cc1ccccc1Oc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:18|
60009 COc1ccc2occ(C=Nc3nnc[nH]3)c(=O)c2c1 |w:10.10|
60010 Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)c1C
60011 Cc1cccc(NC(=O)CSc2nc3n[nH]cc3c(=O)[nH]2)c1
60012 [H]C12CCC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc(C)c(C)c1C(=O)OC |c:6,TLB:13:8:3.2:6.7,THB:10:9:3.2:6.7|
60013 [H]C12CCC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc(C)c(CC)c1C(=O)OCC |c:6,TLB:13:8:3.2:6.7,THB:10:9:3.2:6.7|
60014 OC(=O)c1ccccc1SCC(=O)NCc1ccc(Cl)cc1
60015 CCOC(=O)c1ccc(\C=C2\C=C(N(C2=O)c2ccc(Cl)c(c2)C(O)=O)c2ccccc2)cc1 |c:11|
60016 COc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)[nH]2)c1
60017 Cc1ccc(OCc2ccc(o2)C(O)=O)c(c1)[N+]([O-])=O
60018 CC(C)(C)C1CCc2c(C1)scc2C(=O)NNC(=O)CCCC(O)=O
60019 Cc1[nH]c2ccccc2c1N=Nc1cccc(c1)C(O)=O |w:10.11|
60020 COc1ccc(Nc2nnc(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)s2)cc1 |w:15.14|
60021 CN(C)c1ccc(cc1)\N=N\c1ccccc1C(=O)OCC(=O)N(C)C1CCCCC1
60022 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(cc2-[#6])-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-1=O
60023 Cc1c(O)nc(SCC(=O)Nc2ccc3CCc4cccc2c34)n(-c2ccc(F)cc2)c1=O
60024 Cc1c(O)nc(SCC(=O)Nc2ccc3CCc4cccc2c34)n(-c2ccccc2)c1=O
60025 Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1
60026 Cc1cccc(c1)C(=O)NC(=S)NNC(=O)Cc1ccccc1
60027 Cc1cccc(c1)C(=O)NC(=S)NNC(=O)c1ccccc1Cl
60028 CC(Sc1nnc(Nc2c(C)cccc2C)s1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
60029 Cc1ccc(c(C)c1)-n1c(SCC(=O)N2Cc3ccccc3CC2C(O)=O)nnc1-c1cccnc1 |(3.08,-.34,;4.54,-.82,;4.86,-2.32,;6.33,-2.8,;7.47,-1.77,;7.15,-.26,;8.3,.77,;5.69,.21,;8.94,-2.24,;10.18,-1.34,;10.18,.2,;11.52,.97,;11.52,2.51,;10.18,3.28,;12.85,3.28,;14.19,2.51,;15.52,3.28,;16.9,2.46,;18.29,3.25,;18.29,4.85,;16.9,5.64,;15.52,4.82,;14.19,5.59,;12.85,4.82,;11.52,5.59,;11.52,7.13,;10.18,4.82,;11.43,-2.24,;10.95,-3.71,;9.41,-3.71,;8.51,-4.96,;9.14,-6.36,;8.23,-7.61,;6.7,-7.45,;6.07,-6.04,;6.98,-4.79,)|
60030 Cc1ccc(Nc2nnc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)s2)c(C)c1
60031 null
60032 Cc1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1
60033 CC(Sc1nnc(Nc2ccc(C)cc2)s1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
60034 CN(C)c1ccc(cc1)\N=N\c1ccccc1C(=O)OCC(=O)N1CCCC1
60035 O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O
60036 O=C(CSc1nnc[nH]1)Nc1ccc2CCCc2c1
60037 Nc1nnc(SCC(=O)Nc2ccc3CCCc3c2)[nH]1
60038 CCCCNC(=S)Nc1ccc2cn[nH]c2c1
60039 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1
60040 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)c(C)c1
60041 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(C)cc1
60042 CCOc1ccc(NC(=O)CSc2nnc(N)[nH]2)c(c1)[N+]([O-])=O
60043 CCCn1c(C)cc(C(=O)COC(=O)c2ccc[nH]c2=O)c1C
60044 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(F)cc1
60045 Cc1ccc(Nc2nnc(SC3CCOC3=O)s2)c(C)c1
60046 Oc1ccccc1C(=O)c1cnn(c1)C(=O)c1ccccc1
60047 Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1
60048 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccc(Br)cc1
60049 Cc1c(O)c(S(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
60050 CCc1c(O)cc(=O)n(-c2ccccc2)c1-c1ccccc1
60051 Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccccc1
60052 COC(=O)c1c(NC(=O)\C=C\C(O)=O)sc(C)c1-c1ccc(C)c(C)c1
60053 CCC1CCc2c(C1)sc(NC(=O)C1CC=CCC1C(O)=O)c2C#N |c:16|
60054 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CC(C)CCc2c1C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
60055 COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1ccc(C)cc1 |c:11|
60056 [O-][N+](=O)c1cn[nH]c1C(=O)N1CCN(CC1)C(=O)c1ccco1
60057 Oc1cc(=O)n(c(SCC(=O)Nc2ccc3CCc4cccc2c34)n1)-c1ccccc1
60058 CC(C)(C)C1CCc2c(C1)sc(NC(=O)C1CC=CCC1C(O)=O)c2C#N |c:18|
60059 OC(=O)COc1ccccc1C=C1SC(=S)N(N=Cc2ccccc2O)C1=O |w:17.17,11.11|
60060 [H]C12CCC([H])(N1C)\C(=C\c1cccn1C)C(=O)\C2=C/c1cccn1C |TLB:9:8:6:2.3,THB:19:18:6:2.3|
60061 Oc1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1O |w:6.6|
60062 CN1C(=O)\C(S\C1=N\c1ccc(C)cc1)=C\c1cn(CC(O)=O)c2ccccc12
60063 Cc1c(O)c(c(=O)n(-c2ccccc2)c1-c1ccccc1)S(=O)(=O)c1ccccc1
60064 [#6]\[#6](-[#6])=[#7]\[#7]=[#6](-[#7])-[#7]-[#6](=S)-[#7]-c1ccc(-[#6])cc1 |w:4.3|
60065 Nc1n[nH]c(N)c1N=Nc1cccc(F)c1 |w:8.9|
60066 COc1ccc(C=NN=C2SC(CC(O)=O)C(=O)N2c2ccccc2)c(OC)c1
60067 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)N2CCOCC2)C1=O |TLB:6:5:10.9:2,23:9:2:5.7,THB:8:7:10.9:2,11:10:2:5.7|
60068 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)\C=C\c3ccc(OC)cc3OC)cc2)s1
60069 CC1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc(C)cc1
60070 Fc1ccc(cc1)-c1cc(=O)[nH][nH]1
60071 OC(=O)C1CC=CCC1C(=O)Nc1sc2CCCCCCc2c1C#N |c:5|
60072 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCCc2c1C(=O)OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
60073 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CC(CC)CCc2c1C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
60074 OC(=O)C1CCCCC1C(=O)Nc1ccc(F)c(F)c1
60075 CC1=C(C)CC(C(C1)C(O)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O |c:1|
60076 Cc1sc(NC(=O)C2CC(C)=C(C)CC2C(O)=O)nc1-c1ccc(C)cc1C |t:10|
60077 OC(=O)Cn1cc(\C=C(\C#N)c2ccc(F)cc2)c2ccccc12
60078 NC(=O)c1c(NC(=O)C2CCCO2)sc2CCCCCc12
60079 OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(O)cc1Sc1nc2ccccc2s1
60080 [H]C12CC([H])(C=C1)C(C)(C2C(=O)Nc1sc2CCCCc2c1C(=O)OCC)C(O)=O |c:5,TLB:10:9:2:5.6,THB:27:7:2:5.6,8:7:2:5.6|
60081 CC1=C(C(NC(=O)N1CCCCCC(O)=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccccc1 |t:1|
60082 [#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1cccc(c1)-[#6](-[#8])=O
60083 CSCCC(NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(O)=O
60084 COc1ccc2nc(SCC(=O)Nc3cc(OC)c(OC)cc3C(O)=O)c(C)cc2c1
60085 CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc3OCCOc3c2)s1
60086 OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)C(=O)Nc1nccs1 |c:5|
60087 OC(=O)Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
60088 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)s1
60089 OC(=O)C1CCCCC1C(=O)Nc1cc(ccc1Cl)C(F)(F)F
60090 COCCSc1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)s1
60091 OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
60092 OC(=O)Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1
60093 Cc1c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cccc1C(O)=O
60094 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(NCc2ccc(F)cc2Cl)c(Cl)c1=O |TLB:15:13:11:3.5.2,16:13:11:3.5.2,THB:15:3:11:13.12.14,2:3:12:1.11.14|
60095 CN1\C(S\C(=C/c2ccco2)C1=O)=N/c1cccc(c1)C(O)=O
60096 Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)C3=O)C(O)=O)s1 |t:7|
60097 Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)NN
60098 Cc1sc(NC(=O)C2CC(Cl)=CCC2C(O)=O)c(C#N)c1C |c:10|
60099 OC(=O)CCc1nnc(SCC(=O)Nc2cccc(c2)C(F)(F)F)[nH]c1=O
60100 COc1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1
60101 CCC1(C)Cc2sc3c([nH]c(=S)[nH]c3=O)c2CO1
60102 CCOc1ccccc1-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O |(3.08,-4.21,;4.41,-4.98,;5.75,-4.21,;7.08,-4.98,;7.08,-6.52,;8.41,-7.29,;9.75,-6.52,;9.75,-4.98,;8.41,-4.21,;8.41,-2.67,;9.66,-1.76,;11.13,-2.24,;9.18,-.3,;7.64,-.3,;6.74,.95,;7.37,2.36,;6.6,3.69,;7.63,4.83,;9.03,4.21,;8.87,2.68,;10.37,4.98,;10.37,6.52,;11.7,7.29,;13.03,6.52,;13.03,4.98,;11.7,4.21,;7.17,-1.76,;5.7,-2.24,)|
60103 OC(=O)C(CC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl
60104 COC(=O)c1c(NC(=O)C2CCCCC2C(O)=O)sc2CCCCCc12
60105 COC(=O)c1c(NC(=O)C2CC=CCC2C(O)=O)scc1-c1cc(C)ccc1C |c:11|
60106 OC(=O)COc1ccccc1\C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O
60107 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CCC(C)Cc2c1C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
60108 OC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccccc1
60109 CCOc1ccc(NC(=O)CN2C(=O)S\C(=C\c3cccn3C)C2=O)cc1
60110 NC(=O)c1c(NC(=S)Nc2ccc(F)cc2)sc2CCCCc12
60111 CC1CCN(CC(=O)Nc2ccc(cc2)N2CCCCCC2)CC1
60112 CSc1nnc(-c2cc(Br)ccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 |w:13.13|
60113 CCOc1ccc(cc1)C1C(C(=O)Nc2ccccc2)=C(C)N=c2sc(=Cc3cccc(OCC(O)=O)c3)c(=O)n12 |t:21,24|
60114 COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3C(O)=O)s2)cc1
60115 Cc1ccc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)nnc3c(=O)[nH]2)c(C)c1
60116 OC(=O)CCCNC(=O)C(\NC(=O)c1ccccc1Cl)=C/C=C/c1ccccc1
60117 CC1(C)Cc2c(CO1)sc(NC(=O)C1CC(Cl)=CCC1C(O)=O)c2C#N |c:17|
60118 OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCCc2c1C#N |t:5|
60119 CC1CCc2sc(NC(=O)C3CC(Cl)=CCC3C(O)=O)c(C#N)c2C1 |c:13|
60120 Cc1oc(cc1C(=O)NC(Cc1ccccc1)C(O)=O)C(C)(C)C
60121 CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc12
60122 CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O
60123 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C#N |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
60124 Cc1cc(\C=C(/C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(cc1)C(O)=O
60125 CCOc1ccc(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)cc1 |t:18,TLB:8:10:23:19.17,20:19:10.11:23,THB:12:11:23:19.17,18:17:10.11:23|
60126 OC(=O)c1ccc(Oc2ccc(NC(=O)c3cccs3)cc2)cc1C(O)=O
60127 OC(=O)C1CC=C(Cl)CC1C(=O)Nc1sc2CCCCc2c1C#N |t:5|
60128 Cc1ccc(cc1)S(=O)(=O)Nc1nc2CC(C)(C)CC(=O)c2s1
60129 CN(C)c1ccc([CH+][N-]NC(=O)c2n[o+][n-]c2N)cc1[N+]([O-])=O
60130 COc1ccc(OC)c(NC(=O)C2C(C(O)=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)c1 |t:20,TLB:10:12:25:21.19,22:21:12.13:25,THB:20:19:12.13:25,14:13:25:21.19|
60131 CCc1c(C)nc(SCC(=O)Nc2ccc3OCCOc3c2)[nH]c1=O
60132 Fc1ccc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3F)s2)cc1
60133 COc1cc(NC(=O)CSc2nnc3c(C)cc4cc(C)cc(C)c4n23)c(cc1OC)C(O)=O
60134 OC(=O)c1ccc(NC(=O)CN2C(=O)S\C(=C\C=C\c3ccccc3)C2=O)cc1
60135 COc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1Br |w:8.8|
60136 OC(=O)c1cccc(NC(=O)C(\NC(=O)c2ccc(Br)o2)=C/c2ccc3OCOc3c2)c1
60137 O=C(CSc1ccccc1)NN1C(=O)c2ccccc2C1=O
60138 CCN(CC)c1ccc(\C=C(\C#N)C(=O)NC(C)C)o1
60139 CCOc1ccc(cc1)-n1c(O)cc(Sc2nnc([nH]2)-c2ccccc2)c1O
60140 COc1ccc(NC(=O)Nc2ccc3oc(C)nc3c2)cc1
60141 Nc1n[nH]c(N)c1N=Nc1ccccc1 |w:8.9|
60142 [O-]S(=O)(=O)SCCOC(=O)NCCc1c[nH]c2ccccc12
60143 [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(CC(=O)Nc2cnc3ccccc3c2)C1=O |c:2,TLB:28:9:6.8:3.2,7:8:10.9:3.2,THB:7:6:10.9:3.2,11:10:6.8:3.2|
60144 O=C(NC1CCCCC1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
60145 Nc1[nH]ncc1-c1ccc(Cl)cc1
60146 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2)c1C#N
60147 CCCCCC(=O)NNC(=S)NC(=O)c1ccc(cc1)[N+]([O-])=O
60148 Cc1[nH][nH]c(=O)c1CCC(=O)NN=Cc1ccc(Cl)cc1 |w:12.12|
60149 CC(=NNC(=O)CCc1c(C)[nH][nH]c1=O)c1ccccc1 |w:2.2|
60150 COc1ccc(OCCCn2cccc2C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1 |w:15.15|
60151 [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1coc2ccccc2c1=O
60152 CCCCCCCCc1nnc(SC(C)C(O)=O)[nH]1
60153 OC(=O)c1cccc(c1)-c1ccc(C=NNC(=O)C2COc3ccccc3O2)o1
60154 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2ccc(C)cc2Cl)c(Cl)c1=O |THB:2:1:12:3.5.15,16:13:5:1.11.2,14:13:5:1.11.2,14:1:5:13.12.15|
60155 [H]C12CC3([H])CC(C1)(CC(C2)(C3)n1ncc(NCc2ccccc2)c(Cl)c1=O)C(O)=O |TLB:5:3:10:6.8.7,THB:28:6:10:3.11.2,2:3:8:1.10.7,5:6:10:3.11.2|
60156 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(NCc2ccc3OCOc3c2)c(Cl)c1=O |TLB:15:13:11:3.5.2,16:13:11:3.5.2,THB:15:3:11:13.12.14,2:3:12:1.11.14|
60157 [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1-[#7+](-[#8-])=O
60158 OC(=O)CCC(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccccc1
60159 COc1ccc(CCNC(=O)c2ccc3c(SCC(O)=O)c4CCCCc4nc3c2)cc1OC
60160 Cn1c(NC(=O)\C=C/c2ccccc2)cc(=O)n(C)c1=O
60161 O=C(Cn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc12)N1CCCCCC1
60162 O=C(Cn1cc(C(=O)C(=O)NCc2ccco2)c2ccccc12)N1CCCC1
60163 Cc1ccc(NC(=O)CSc2nnc(C)c(=O)[nH]2)cc1C
60164 CCOc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1
60165 CC(C=NNC(=O)Cc1c(C)[nH][nH]c1=O)=Cc1ccccc1 |w:3.3,15.16|
60166 O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccccc1
60167 Cc1ccc(NC(=O)CSc2nnc[nH]2)cc1
60168 O=C1NC(=O)\C(=C\c2ccco2)C(=O)N1Cc1ccccc1
60169 Nc1n[nH]c(N)c1N=Nc1ccc(F)cc1 |w:8.9|
60170 COc1cccc(NN=C(C#N)S(=O)(=O)C(C)(C)C)c1 |w:8.7|
60171 Cc1cccc(NN=C(C#N)S(=O)(=O)C(C)(C)C)c1 |w:7.6|
60172 CSc1ccc(NN=C(C#N)S(=O)(=O)C(C)(C)C)cc1 |w:7.6|
60173 Cc1[nH][nH]c(=O)c1CCC(=O)NN=Cc1ccco1 |w:12.12|
60174 Cc1[nH][nH]c(=O)c1CCC(=O)NN=Cc1cccc(Cl)c1 |w:12.12|
60175 Cc1[nH][nH]c(=O)c1CCC(=O)NN=Cc1ccc(Cl)c(Cl)c1 |w:12.12|
60176 CC(=NNC(=O)Cc1c(C)[nH][nH]c1=O)c1cccs1 |w:2.2|
60177 Cc1cc(ccc1-c1ccc(\C=C2/NC(=O)N(Cc3ccccc3Cl)C2=O)o1)C(O)=O
60178 OC(=O)c1c(NC(=O)c2ccccc2F)sc2CCCCCc12
60179 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\[#7]-c1sc2-[#6]-[#6]-[#6]-[#6]-c2c1C#N
60180 OC(=O)c1cccc(NC(=S)NN=Cc2c[nH]c3ccccc23)c1 |w:12.11|
60181 OC(=O)CN1C(=S)S\C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O
60182 COc1cccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)c1 |w:8.8|
60183 OC(=O)c1ccc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)cc1 |w:8.8|
60184 COc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1
60185 O=C(Nc1nc(=O)[nH]s1)c1ccccc1
60186 OC(=O)Cn1cc(C=C2NC(=O)N(C2=O)c2ccc(Cl)cc2)c2ccccc12 |w:7.6|
60187 Cc1cccc(Nc2nnc(SC3CCOC3=O)s2)c1C
60188 CCOc1ccc(NC(=O)CSc2nnc(N)s2)c(c1)[N+]([O-])=O
60189 [#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:8,10|
60190 COC(=O)c1ccc(NCC(=O)N2CCCCCC2)cc1
60191 FC(F)(F)c1cnc(NC(=O)CSc2nnc[nH]2)c(Cl)c1
60192 CN(C)c1ccc(C=c2c(=C)[nH]n(CCC#N)c2=O)cc1 |w:7.6|
60193 COc1ccc(cc1)-[n+]1c(C)cc(\C=C2/Sc3ccccc3N2C)cc1C
60194 OC(=O)CCc1nnc(SCC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)[nH]c1=O
60195 OC(=O)c1ccccc1C=NNC(=O)c1ccc(COc2cccc3cccnc23)cc1
60196 OC(=O)CCc1nnc(SCC(=O)Nc2ccc(Br)cc2)[nH]c1=O
60197 OC(=O)C=CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2OCCOc2c1 |w:4.4|
60198 OC(=O)c1cc(ccc1Cl)N=NCc1ccc(OCc2ccccc2)cc1 |w:10.10|
60199 Cc1ccc(CN=Nc2ccc(cc2)C(O)=O)s1 |w:7.7|
60200 null
60201 CCn1c2ccccc2c2cc(NC(=O)CSc3nccc(=O)[nH]3)ccc12
60202 OC(=O)COc1ccccc1C=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1cccc(Cl)c1
60203 Cc1nc(SCC(=O)Nc2ccc3OCCOc3c2)nc(C)c1C
60204 Cc1ccc(Nc2nnc(SCC(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)s2)cc1
60205 Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S
60206 Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(cc3)C(O)=O)s2)c1
60207 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(NCc2ccc(F)cc2)c(Cl)c1=O |TLB:15:13:11:3.5.2,16:13:11:3.5.2,THB:2:3:12:1.11.14,15:3:11:13.12.14|
60208 [#6]=[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](\C#N)C#N)-[#6]=[#6]-1 |c:4,14|
60209 OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[nH]c(=O)c1ccccc21
60210 OC(=O)c1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:9,16|
60211 O=S(=O)(Nc1cccc2cccnc12)c1ccc(cc1)S(=O)(=O)N1CCCC1
60212 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
60213 CCc1nnc(NC(=O)c2cccc(n2)C(=O)Nc2nnc(CC)s2)s1
60214 Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
60215 COc1ccccc1\N=c1/scc(-c2ccc3OCC(=O)Nc3c2)n1CC1CCCO1
60216 Cc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)cc2)o1
60217 O=C(C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12)N1CCn2c1nc1ccccc21
60218 COc1ccc(cc1)-c1cc(=O)n([nH]1)-c1nc2ccccc2[nH]1
60219 CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1
60220 O=C(C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc21
60221 O=C(Nc1nnc(o1)-c1cccs1)c1cccc(Oc2ccccc2)c1
60222 O=c1[nH]c(Nc2nc3ccccc3o2)nc2CCCCc12
60223 Cc1ccc(cc1)S(=O)(=O)Nc1cccc2cccnc12
60224 O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)N1CCC(Cc2ccccc2)CC1
60225 COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)o1
60226 COc1cccc(c1)C(=O)NN=C(c1ccccc1)c1ccccn1
60227 Cc1cccc(CSc2cccc3cccnc23)c1
60228 CC(Oc1ccc(cc1)[N+]([O-])=O)C(=O)NN=C(C)c1ccccn1 |w:15.15|
60229 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC
60230 Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1nccs1
60231 COc1ccc(cc1)-c1csc(n1)N1C(=O)CSC1=N
60232 CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccccn1 |w:2.2|
60233 CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C
60234 CC(=O)C(Sc1cccc2cccnc12)=NNc1ccc(Cl)cc1Cl |w:15.17|
60235 COc1ccc(\C=C2/SC(=N)N(C2=O)c2nccs2)cc1OC
60236 CC(OC(=O)c1cc2c(ccc3ccccc23)oc1=O)c1nc2ccccc2s1
60237 O=C(\C(=C\c1ccco1)N1C=CC=CC1=C(C#N)C#N)c1ccc(cc1)-c1ccccc1 |c:11,13|
60238 Fc1ccc(cc1)-c1nnc(NC(=O)c2cc(Cl)sc2Cl)o1
60239 CC(=NNC(=O)C1COc2ccccc2O1)c1ccccn1 |w:2.2|
60240 CC1CCc2c(C1)nc1sc3CCCCc3c1c2N
60241 Clc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
60242 O=C(NNC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1
60243 CCC(C)(N(Cc1cccs1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
60244 Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=NN1C(=O)c2cccc3cccc(C1=O)c23 |w:15.17|
60245 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NN1C(=O)c2cccc3cccc(C1=O)c23 |w:14.16|
60246 Fc1ccc(Cc2cnc(s2)N2C(=N)SCC2=O)cc1
60247 CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
60248 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1
60249 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)N\N=C\c1ccccn1
60250 [O-][N+](=O)c1ccc(cc1)C(=O)N\N=C\c1ccccn1
60251 [O-][N+](=O)c1cccc(c1)C(=O)N\N=C\c1ccccn1
60252 Cc1cccc(\C=N\NC(=O)c2cccc(c2)[N+]([O-])=O)n1
60253 Oc1c(Cl)cc([N+]([O-])=O)c2cccnc12
60254 COc1ccc(cc1)-c1csc(Cc2nc(O)cs2)n1
60255 Cc1sc(Cc2nc(O)cs2)nc1-c1ccccc1
60256 Fc1ccc(CSc2nnc(NC(=O)c3ccccn3)s2)cc1
60257 CCOc1ccc2nc(NC(=O)c3ccccn3)sc2c1
60258 Cc1ccc2nc(NC(=O)c3ccccn3)sc2c1
60259 Fc1cc(F)c2nc(NC(=O)c3ccccn3)sc2c1
60260 CC(=Nn1c(csc1=NCC=C)-c1ccc2OCC(=O)Nc2c1)c1ccccn1 |w:2.2,8.9|
60261 CCc1nc2sc3c(Cl)ncnc3c2c2CCCCc12
60262 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNC(=O)c1ccccn1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
60263 O=C(NN=Cc1ccccn1)c1cc(nc2ccccc12)-c1ccccc1
60264 Brc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
60265 Clc1c(sc2ccccc12)C(=O)NN=Cc1ccccn1
60266 Fc1ccccc1CN=Nc1nc(nc2ccccc12)-c1ccccn1 |w:9.10|
60267 COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)NN=Cc1ccccn1
60268 CCCCCC(N=O)c1c(C)[nH]c2ccccc12
60269 CCOc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
60270 NC(=S)NN=Cc1ncc(cc1Cl)C(F)(F)F |w:4.3|
60271 Cc1nc([nH]c(=S)c1Cl)-c1ccccn1
60272 Clc1ccc(cc1)C(=O)NNC1=Nc2ccccc2SC1 |t:12|
60273 O=C(CSC1=NNC(S1)c1ccccn1)Nc1ccccc1 |t:4|
60274 O.CS(O)(=O)=O.[H][C@@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2oc2ccccc12)ccc3O |TLB:16:15:23:10.12.11|
60275 CC(=NNC(=O)c1ccc(Cl)cc1)c1ccccn1 |w:2.2|
60276 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2Cc1ccccc1
60277 CC(=NNC(=O)c1ccccc1Cl)c1ccccn1 |w:2.2|
60278 COc1cc(C=Cc2ccc3cccc(O)c3n2)ccc1O |w:6.6|
60279 Brc1ccccc1C(=O)Sc1cccc2cccnc12
60280 CC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccn1 |w:2.2|
60281 Oc1ccc(Br)cc1C(=O)NN=Cc1ccccn1
60282 CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccccn1 |w:2.2|
60283 COc1cc(OC)cc(c1)-c1nnc(NC(=O)c2ccc3OCCOc3c2)o1
60284 CC(Oc1ccc(Br)cc1)C(=O)Nc1nc(cs1)-c1ccccn1
60285 CCCOc1cccc(c1)-c1cc(C(=O)NN=Cc2ccccn2)c2ccccc2n1
60286 CC(=NNC(=O)c1cccc(Br)c1)c1ccccn1 |w:2.2|
60287 [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
60288 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(C)cc1)N2C(=O)NC1CCCCC1
60289 Clc1cccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)c1
60290 CN(C)CCOC(=O)CCc1ccccc1
60291 COc1ccc(cc1OC)-c1cnnn1-c1ccc(N)cc1
60292 COc1cccc2cc(C(=O)N3CCc4ccccc34)c(=O)oc12
60293 CCN1CCN(CC1)c1nc2n(C)c(=O)[nH]c(=O)c2n1CC(C)=C
60294 CSc1nnc(NCc2ccc(Cl)cc2)[nH]1
60295 Cc1ccc(cc1)S(=O)(=O)N1CCN(C(COCc2cccc(C)c2)Cc2ccccc2)C(=O)CC1
60296 Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccccc1
60297 CC1(C)C2(C)CCC1(OC2=O)C(=O)NCc1ccc(Cl)cc1 |TLB:10:9:1:5.6|
60298 CCOC(=O)C(C#N)=c1sc(=C2C=Cc3ccccc3N2CC)c(=O)n1CC |c:12|
60299 S=c1[nH]nc(Cc2cccc3ccccc23)n1-c1ccccc1
60300 CC1CCN(CC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCc3ccccc3Cl)c(=O)c2c1
60301 O=C(CCn1ccc2ccccc12)NC1CCCc2ccccc12
60302 CC[n+]1c(\C=C\N(C)c2ccccc2)sc2ccc(Cl)cc12
60303 NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
60304 Cc1nc2cc(C)ccn2c1C(=O)CSc1ccc(Cl)cc1Cl
60305 Cc1cc(Cl)ccc1NC(=O)CN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
60306 Cc1ccc(cc1)C(=O)COc1ccccc1C(=O)Nc1ccccc1
60307 C[C@]1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:14|
60308 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccccc1N1CCCCC1
60309 Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[N-][C+]1C2CC3CC(C2)CC1C3 |THB:15:23:19:16.17.21,22:20:17:23.24.15,22:23:17:20.19.21,(4.97,-4.55,;6.06,-3.47,;7.54,-3.86,;8.63,-2.78,;8.23,-1.29,;6.75,-.89,;5.66,-1.98,;4.17,-1.58,;3.77,-.09,;3.08,-2.67,;9.32,-.2,;8.23,.89,;10.41,-1.29,;10.41,.89,;11.9,.49,;12.99,1.58,;14.28,2.32,;14.28,3.81,;15.56,4.55,;16.85,3.81,;16.85,2.32,;15.56,1.86,;15.89,.92,;14.5,1.65,;14.5,3.26,)|
60310 Fc1ccc(cc1)-c1nc2n(-c3ccccc3)c(=S)sc2c(=O)[nH]1
60311 CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
60312 Cc1cc(C)nc(NN=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc23)n1 |w:8.7|
60313 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(cc1)N1CCOCC1
60314 CC1CCN(CC1)C(=O)C1CCC(C)(C(O)=O)C1(C)C
60315 COc1ccc(CNC(=S)Nc2cc(OC)ccc2OC)cc1
60316 CN1C[C@@H]2C[C@H](N3CCC[C@@]23C1=O)c1cc(C)ccc1-n1cccn1
60317 CS(=O)(=O)N1CCN(CC1)c1ccc(c(SCc2ccco2)c1)[N+]([O-])=O
60318 Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2[N+]([O-])=O)c(C)c1
60319 C1CCC(C1)n1nnnc1C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccccn1
60320 Fc1cccc(F)c1CNC(=O)c1cc(COc2c(F)cccc2F)on1
60321 COc1ccc(cc1)C(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NCc1ccccc1
60322 O=C(N1C(C=Cc2ccccc12)C#N)c1ccccc1 |c:4|
60323 Clc1ccc(NC(=O)OCc2cn(nn2)-c2ccccc2)cc1
60324 CC1(C)Cc2c(sc(N=CN3CCCCCC3)c2C#N)C(C)(C)N1
60325 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(F)cc3)cc2)ncn1 |w:20.20|
60326 COc1cccc(CCC(=O)N(C)C2CCCN(Cc3ccccc3F)C2)c1
60327 Cc1ccc(OCCCN2CCOCC2)cc1
60328 CCOc1cc(\C=C(/C#N)C(=O)Nc2ccccc2C(O)=O)ccc1OC(=O)c1ccc(C)cc1
60329 Cc1cc(C)c(C#N)c(Nc2ccccc2C)n1
60330 COC(=O)C1CN(C(=O)C1)c1ccc(OCc2ccccc2Cl)cc1
60331 COc1ccc(CCNC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)cc1OC
60332 Cc1ccc2Oc3ncccc3C(=O)N(CC(=O)NCCc3ccc(Cl)cc3)c2c1
60333 Clc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
60334 COc1ccc(NC(=O)C2=CC(=NS(=O)(=O)N2C)c2cccs2)cc1OC |c:11,t:9|
60335 CC1CCCCC1NC(=O)CCS(=O)(=O)c1ccc2OCC(=O)Nc2c1
60336 O=c1[nH]c2ccc(cc2s1)S(=O)(=O)N1CCCCC1
60337 COc1ccc(CCNC(=O)CCC(=O)N2CCOc3ccc(C)cc23)cc1OC
60338 [O-][N+](=O)c1ccc(N2CCOCC2)c(NC(=O)c2cccs2)c1
60339 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(F)cc1)C1CCCCC1
60340 CCC(C)[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NCCc1ccc(OC)c(OC)c1
60341 Fc1cccc(Cl)c1\C=C(/C#N)C(=O)NC1CC1
60342 CCOC(=O)CNc1c(nc2ccccn12)-c1ccc(O)cc1
60343 [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccc(cc1)N(C)C
60344 Nc1nc(c(NC(=O)c2ccccc2)s1)-c1cccs1
60345 CN(C)C(=O)c1c(oc2ccc(O)cc12)-c1ccccc1
60346 COc1ccc(cc1)N1CCN(CC1)C(=O)CN(c1ccccc1)S(C)(=O)=O
60347 CN(C)c1ccc(NC(=O)CN2CCC(CC2)C(=O)c2ccc(C)cc2)cc1
60348 CCOC(=O)CNc1c(nc2ccc(Cl)cn12)-c1ccc(O)cc1
60349 Oc1ccc(cc1)N1CCN(CC1)C(c1nnnn1C1CCCC1)c1ccncc1
60350 Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(cc3)N3CCOCC3)cc12
60351 Oc1ccc2c(c1)oc1cc(O)ccc21
60352 COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C
60353 CC(=O)c1cccc(c1)S(=O)(=O)N1CCCC(C1)c1nc(no1)-c1ccc(C)o1
60354 O=C1N(Cc2ccccc2)c2ccccc2C1=Nn1cnnc1
60355 CC(=O)Nc1ccccc1O
60356 CN(C)c1ccc(\C=C\c2cc[n+]([O-])cc2)cc1
60357 CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S
60358 CC1CN=C(Nc2ccc(cc2)N(C)C)S1 |t:3|
60359 Nc1sc(=S)c2CCCCCc2c1C#N
60360 CCN(CC)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O |w:11.11,(4.41,6.16,;5.75,5.39,;5.75,3.85,;4.41,3.08,;3.08,3.85,;7.08,3.08,;7.08,1.54,;8.41,.77,;9.75,1.54,;9.75,3.08,;8.41,3.85,;11.08,.77,;12.42,1.54,;13.75,.77,;13.75,-.77,;12.42,-1.54,;15.08,-1.54,;15.08,-3.08,;16.42,-3.85,;16.42,-5.39,;15.08,-6.16,;13.75,-5.39,;13.75,-3.85,;12.42,-3.08,;16.42,-.77,;17.75,-1.54,;16.42,.77,;15.08,1.54,;15.08,3.08,)|
60361 CCOC(=O)c1cc(sc1N)-c1ccc(N)cc1
60362 CCN(CC)CCN1C(C(C(=O)c2ccc(C)cc2)C(=O)C1=O)c1cccnc1
60363 COc1cc(C=Nn2nnnc2N)ccc1O |w:6.6|
60364 CCOC(=O)Cc1cc(=O)n([nH]1)-c1nc2ccccc2s1
60365 Clc1ccc(cc1)C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N |c:25|
60366 CCCn1cnc2cc(NCc3cccc(OC)c3O)ccc12
60367 COc1cc(ccc1O)-c1c(C#N)c(=O)[nH]c2n(nc(C)c12)-c1ccccc1
60368 Nc1nc(cs1)-c1ccco1
60369 CN1C=CC=C\C1=C(/C#N)c1nc2ccccc2[nH]1 |c:2,4|
60370 COc1ccccc1NC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
60371 CCN(C(=O)CN1CCN(CC1)c1ccc(O)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
60372 Cc1cccc(c1)C(=O)Nc1ccc(O)cc1
60373 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(OC)c(OC)c3OC)C12C#N |t:7|
60374 CN(C)c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2F)cc1
60375 OC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2oc(=O)sc2c1
60376 CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC1CS(=O)(=O)CC1O
60377 CN(C)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
60378 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CCC(=O)Nc2ccc(cc2)N(C)C)CC1
60379 CN(C)c1ccc(NC(=O)CSc2nc3CCCCc3c(=O)[nH]2)cc1
60380 Oc1ccc(cc1)-c1nc2ncccn2c1Nc1ccc2OCOc2c1
60381 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(-[#8])cc2)-[#6](=O)-[#6]1
60382 Oc1ccc(cc1)N1CCN(CC1)C1CC(=O)N(Cc2cccs2)C1=O
60383 Oc1ccc(NC=C2CCCCC2=O)cc1 |w:6.5|
60384 CC(=O)Nc1ccc(OC(=O)C(CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1
60385 O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCOCC1
60386 Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
60387 Oc1ccc(cc1)N1C(=O)c2ccccc2NC11CCCCC1
60388 CN(C)c1ccc(NC(=O)CC2NCCNC2=O)cc1
60389 COc1cc(ccc1O)-c1csc(C)n1
60390 Oc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1ccco1
60391 CCn1cnc2cc(NCc3cccc(OC)c3O)ccc12
60392 CCN1C(=O)CC(N2CCC(CC2)Nc2ccc(OC)cc2)C1=O
60393 Fc1cccc(Cl)c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N |c:26|
60394 O=C(CSC1=NS(=O)(=O)c2ccccc12)Nc1ccccc1 |t:4|
60395 OC(=O)c1ccc(cc1)-c1ccc(O)c(F)c1
60396 Clc1ccccc1C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:18|
60397 Oc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
60398 CCc1ccc(cc1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:19|
60399 Oc1ccc(cc1)-c1nc2c[nH]ccn2c1=Nc1ccc2OCCOc2c1 |w:16.19|
60400 CC(=O)N1CCN(CC1)c1ccc(NCc2ccc(C)s2)cc1
60401 S=c1[nH]c2CCCCc2c(-c2ccco2)c1C#N
60402 Cc1ccsc1C=Nc1ccc(O)cc1 |w:7.8|
60403 Oc1cnn(c1)-c1ccccc1
60404 CN(C)c1ccc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)cc1
60405 CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(c3ccncc3)c3ccc(O)cc3)c(C)n2C)CC1
60406 Cc1c(cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1ccc2n(C)cnc2c1
60407 CN(C)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2C)c(=O)[nH]c1=O |w:9.9,(3.08,3.47,;4.41,4.24,;4.41,5.78,;5.75,3.47,;7.08,4.24,;8.41,3.47,;8.41,1.93,;7.08,1.16,;5.75,1.93,;9.75,1.16,;11.08,1.93,;12.42,1.16,;12.42,-.39,;11.08,-1.16,;13.75,-1.16,;13.75,-2.7,;15.08,-3.47,;15.08,-5.01,;13.75,-5.78,;12.42,-5.01,;12.42,-3.47,;11.08,-2.7,;15.08,-.39,;16.42,-1.16,;15.08,1.16,;13.75,1.93,;13.75,3.47,)|
60408 Cc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccncc1)c1ccc(O)cc1
60409 CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3OCOc3cc2-c2cc(C(=O)N(N3CCN(C)CC3)c3ccc(O)cc3)c(n2C)C(F)(F)F)CC1
60410 CCOc1ccc(cc1)N1Nc2[nH]nc(N)c2N1
60411 COCCc1c(cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1ccc(O)cc1)c1cnc2ccn(C)c2c1
60412 CN1C=CC2N=CC(=CC12)N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1 |c:2,5,7|
60413 Cc1c(cc(-c2ccc(F)cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C)C(=O)N(c1cnn(C)c1)c1ccc(O)cc1
60414 FC(F)(F)c1cc(Br)c(c(c1)C1=CCNCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1 |t:12,(10.61,-23.3,;9.27,-22.53,;10.04,-21.19,;8.5,-23.86,;7.94,-21.76,;7.89,-20.19,;6.56,-19.42,;6.56,-17.88,;5.22,-20.19,;5.22,-21.73,;6.56,-22.5,;3.89,-22.5,;2.56,-21.73,;1.22,-22.5,;1.22,-24.04,;2.56,-24.81,;3.89,-24.04,;3.89,-19.42,;2.56,-20.19,;1.22,-19.42,;1.22,-17.88,;2.56,-17.11,;2.56,-15.57,;3.89,-14.8,;5.22,-15.57,;5.22,-17.11,;3.89,-17.88,;3.89,-13.26,;2.35,-13.26,;5.43,-13.26,;3.89,-11.72,;2.56,-10.95,;1.09,-11.43,;.19,-10.18,;1.09,-8.94,;2.56,-9.41,)|
60415 COc1cc(cc(C2=CCNCC2)c1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F |t:7,(7.89,-17.11,;6.56,-17.88,;6.56,-19.42,;7.89,-20.19,;7.94,-21.76,;6.56,-22.5,;5.22,-21.73,;3.89,-22.5,;2.56,-21.73,;1.22,-22.5,;1.22,-24.04,;2.56,-24.81,;3.89,-24.04,;5.22,-20.19,;3.89,-19.42,;2.56,-20.19,;1.22,-19.42,;1.22,-17.88,;2.56,-17.11,;2.56,-15.57,;3.89,-14.8,;5.22,-15.57,;5.22,-17.11,;3.89,-17.88,;3.89,-13.26,;2.35,-13.26,;5.43,-13.26,;3.89,-11.72,;2.56,-10.95,;1.22,-11.72,;-.11,-10.95,;-.11,-9.41,;1.22,-8.64,;2.56,-9.41,;9.27,-22.53,;10.61,-23.3,;10.04,-21.19,;8.5,-23.86,)|
60416 CC1=C(C)CS(=O)N(C1)S(=O)(=O)c1ccccc1 |c:1|
60417 CN1C(=O)Cn2c1nc1nc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c1c2=O |r|
60418 COc1ccc(cc1)C1=[N+]2C(C=C1)=C(CCCCc1cn(C[C@H]3[C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@@H]3O)nn1)c1ccc(-c3ccc(OC)cc3)n1[B-]2(F)F |r,c:12,t:9,14|
60419 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCN1C(=O)C=CC1=O |c:23|
60420 Oc1ccc(cc1)-c1nc2ccccn2c1NCc1ccco1
60421 [H][C@@]1(CC[C@]([H])(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)C(O)C1CC1 |r,wD:4.4,1.0,(9.49,-16.44,;8,-16.04,;6.67,-15.27,;6.67,-13.73,;8,-12.96,;9.34,-12.19,;9.34,-13.73,;9.34,-15.27,;8,-11.42,;9.09,-10.33,;8,-9.24,;6.91,-10.33,;8,-7.7,;6.67,-6.93,;5.33,-7.7,;6.67,-5.39,;5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;,-3.08,;-1.33,-3.85,;.77,-4.41,;-.77,-1.75,;8,-17.58,;9.34,-18.35,;6.67,-18.35,;5.9,-19.68,;5.13,-18.35,)|
60422 O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1nccs1 |r,wU:4.7,1.33,wD:1.0,(-7.34,4.36,;-6.57,3.03,;-5.24,2.26,;-3.9,3.03,;-3.9,4.57,;-5.24,5.34,;-6.57,4.57,;-2.57,5.34,;-1.8,6.67,;-.47,5.9,;-1.24,4.57,;.87,6.67,;2.2,5.9,;2.2,4.36,;3.54,6.67,;4.85,5.9,;6.19,6.67,;6.19,8.21,;7.52,8.98,;8.86,8.21,;8.86,6.67,;10.19,5.9,;10.19,4.36,;8.86,3.59,;7.52,4.36,;7.52,5.9,;8.86,2.05,;8.86,.51,;7.32,2.05,;10.4,2.05,;-7.9,2.26,;-8.38,.79,;-9.92,.79,;-10.4,2.26,;-9.15,3.16,)|
60423 CC(C)C1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(C)(F)F |r,wU:6.9,(-8.38,.79,;-7.9,2.26,;-9.15,3.16,;-6.57,3.03,;-5.24,2.26,;-3.9,3.03,;-3.9,4.57,;-5.24,5.34,;-6.57,4.57,;-2.57,5.34,;-1.8,6.67,;-.47,5.9,;-1.24,4.57,;.87,6.67,;2.2,5.9,;2.2,4.36,;3.54,6.67,;4.85,5.9,;6.19,6.67,;6.19,8.21,;7.52,8.98,;8.86,8.21,;8.86,6.67,;10.19,5.9,;10.19,4.36,;8.86,3.59,;7.52,4.36,;7.52,5.9,;8.86,2.05,;7.32,2.05,;8.86,.51,;10.4,2.05,)|
60424 C[C@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
60425 CCCS(=O)(=O)NCc1ccc2CCC(N)[C@@H](Cc3ccccc3)c2c1 |r|
60426 CCCS(=O)(=O)NCc1ccc2CCC(N)[C@H](Cc3ccccc3)c2c1 |r|
60427 O=S(=O)(CC1CC1)NCCOc1ccc2CCC([C@@H](Cc3ccccc3)c2c1)N1CCC1 |r|
60428 Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CCC(C(Cc3cccc(F)c3)c2c1)N1CCCC1
60429 OC(=O)c1ccc2c3sccc3c(Nc3cccc(c3)C#N)nc2c1
60430 COc1cc(Cl)ccc1Oc1ccc(cc1C#N)S(=O)(=O)Nc1cccnc1
60431 Cc1cc(Oc2ccc(c(F)c2)S(=O)(=O)Nc2ccc(F)cn2)cc(C)c1C#N
60432 C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r|
60433 C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@@](C)(=N)=O |r|
60434 Cc1c(nc2ccccn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C([O-])=O
60435 COC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1C(C)C
60436 CC(C)c1c(nc2ccccn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C([O-])=O
60437 Cc1c(nc2c(F)cccn12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C([O-])=O
60438 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.06,4.84,;-1.29,3.5,;.2,3.9,;-1.69,2.02,;-.6,.93,;-1,-.56,;.09,-1.65,;1.58,-1.25,;1.98,.24,;.89,1.33,;2.67,-2.34,;2.67,-3.88,;4,-4.65,;4,-6.19,;2.67,-6.96,;1.33,-6.19,;,-6.96,;-1.33,-6.19,;-1.33,-4.65,;,-3.88,;1.33,-4.65,;-2.67,-3.88,;-2.67,-2.34,;-4,-1.57,;-4,-.03,;-5.33,-2.34,;-6.67,-1.57,;-5.33,-3.88,;-6.67,-4.65,;-4,-4.65,;5.33,-3.88,;6.67,-4.65,;5.33,-2.34,)|
60439 OC(=O)c1cc(ccc1-c1cncnc1)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60440 Cc1ncccc1-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60441 Cc1cnccc1-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60442 OC(=O)c1cc(ccc1-c1cccnc1)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60443 OC(=O)c1cc(ccc1-c1ccncc1)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60444 Cc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:11|
60445 Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCCC1
60446 Cc1ccccc1-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60447 OC(=O)c1cc(ccc1-c1ccccc1)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60448 COc1cc(C=NNC(=O)c2nc(C)cc(C)n2)ccc1O |w:6.6|
60449 OC(=O)c1cc(ccc1-c1ccccc1C#N)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60450 C(Nc1ccc2OCOc2c1)c1cccnc1
60451 NC(=O)c1ccc(Cl)c(c1)-c1ccc(cc1C(O)=O)-c1nc(cs1)-c1ccc(Cl)c(Cl)c1
60452 CCc1[nH]cc2[C@H](C3=C(CCCC3=O)Nc12)c1cccc(Oc2nc3ccccc3[nH]2)c1 |r,t:7|
60453 [O-][n+]1cccc(CNc2ccc(Cl)c(n2)-c2ccnc3[nH]c(cc23)C2CCNCC2)c1
60454 CN1CCC(CC1)c1cc2c(ccnc2[nH]1)-c1cccc(NCCCc2ccccc2)n1
60455 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCN(CCN2CCOCC2)CC1
60456 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2S(C)(=O)=O |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:21.22:25|
60457 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1CCNCC1S(C)(=N)=O
60458 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C |t:21,TLB:26:25:21.22:24.18.19|
60459 [H][C@@]12CC(C[C@]1([H])CN(C2)S(C)(=O)=O)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |r|
60460 COc1ccc(F)cc1-c1c(cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C)C#N |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:25:21.22,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-5,1.86,;-6.66,1.94,;-8.15,1.54,;-8.15,-0,;-6.33,.45,;-5,-.32,;-5.51,3.37,;-5.91,4.85,;-5.14,6.19,;-3.6,6.19,;-5.53,7.67,;-7.02,8.07,;-4.45,8.76,;4,2.31,;5.33,3.08,)|
60461 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)C |t:22,TLB:27:26:22.23:25.19.20,THB:16:19:26:22.23,(5.33,4.62,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;-1.33,6.93,;,4.62,;1.33,3.85,;1.33,2.31,;2.67,1.54,;4,2.31,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;-3.91,.77,;-5,1.86,;-6.66,1.94,;-8.15,1.54,;-8.15,-0,;-6.33,.45,;-5,-.32,;-5.51,3.37,;-5.91,4.85,;-5.14,6.19,;-3.6,6.19,;-5.53,7.67,;-7.02,8.07,;-4.45,8.76,)|
60462 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2C(=O)CN1CC(O)C1 |t:21,TLB:26:25:21.22:24.18.19,THB:15:18:25:21.22|
60463 COc1cc2cccnc2n1CC(=O)N1C2CCC1C=C(C2)c1cc2c(ccnc2[nH]1)-c1cc(F)ccc1OC |c:22,TLB:12:14:17.16:21.20.19,22:20:14:17.16|
60464 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2C)c1=O |w:11.11|
60465 COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CC2CCC(C1)N2CC(=O)N(C)CCO |t:21,TLB:26:25:21.22:24.18.19|
60466 OCC(=O)N1CCC(=CC1)c1cc2c(ccnc2[nH]1)-c1cncc(NCc2ccccc2)n1 |c:7|
60467 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)CC[C@@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
60468 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCC(F)CC[C@H](CO)N(CCC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
60469 CN[C@@H]1CCN(C1)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
60470 C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1)C(F)(F)F |r|
60471 C.[H][C@@]12CN([C@@]([H])(CN1)C2)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r,THB:10:4:7.8:9|
60472 [H][C@@]12CN(C[C@]1([H])C2N)S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
60473 C[C@@H]1CNCCN1S(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
60474 COc1ccc(NC(=O)c2sc(S)nc2N)cc1
60475 Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N1CCNC[C@@H]1CO |r|
60476 CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
60477 Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H]1[C@H](O)Cc2ccccc12 |r|
60478 C[C@H](CC#N)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
60479 CN1CCN(CC1)[C@@H]1CC[C@H](NS(=O)(=O)c2ccccc2-c2ccc(c(F)c2)-c2cnc(N)cn2)[C@H]1O |r|
60480 C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(c(F)c1)-c1cnc(N)nc1 |r|
60481 Nc1ncc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F |r|
60482 Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1C(=O)N1CCS(=O)(=O)CC1
60483 COc1cc(\C=C2/SC(=NC2=O)c2ccc(C)cc2)cc(OC)c1O |c:8|
60484 Nc1cnc(cn1)-c1ccc(cc1F)-c1ccccc1O[C@@H]1CCCNC1 |r|
60485 Nc1ncc(cn1)-c1ccc(cc1F)-c1ccccc1O[C@@H]1CCCNC1 |r|
60486 Nc1ncc(cn1)-c1ccc(cc1F)-c1ccccc1OCC(O)=O
60487 C[C@H](CO)Oc1ncccc1-c1ccc(c(F)c1)-c1cnc(N)cn1 |r|
60488 C[C@H](CO)Oc1ncccc1-c1ccc(c(F)c1)-c1cnc(N)nc1 |r|
60489 Oc1ccc(C=C2NC(=O)C(=CNCc3ccccc3)C2=O)cc1 |w:11.11,5.4|
60490 CC(O)C1CN(CCO1)C(=O)c1ncccc1-c1ccc(c(F)c1)-c1cnc(N)nc1
60491 Nc1ncc(cn1)-c1ccc(cc1F)-c1ccccc1S(=O)(=O)C1CC1
60492 CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(F)c(F)cc12)C(=O)NC1CC[C@H](O)CC1 |r,wU:8.8,31.35,wD:17.19,5.4,7.32,35.39,(4.33,-1.78,;3,-1.01,;3,.53,;4.33,-.24,;1.67,-1.78,;.33,-1.01,;.33,.53,;-1.13,1.01,;-2.04,-.24,;-3.52,.16,;-4.61,-.93,;-6.1,-.53,;-6.5,.96,;-5.41,2.04,;-5.81,3.53,;-3.92,1.65,;-4.32,3.13,;-1.13,-1.49,;-.23,-2.73,;1.31,-2.73,;-1.13,-3.98,;-2.6,-3.5,;-3.93,-4.27,;-5.26,-3.5,;-6.6,-4.27,;-5.26,-1.96,;-6.6,-1.19,;-3.93,-1.19,;-2.6,-1.96,;-1.53,2.49,;-3.02,2.89,;-.44,3.58,;1.05,3.18,;2.13,4.27,;3.62,3.87,;4.02,2.39,;5.51,1.99,;2.93,1.3,;1.44,1.7,)|
60493 CCC(=O)CC(c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O
60494 CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(F)ccc12)C(=O)NC1CC[C@H](O)CC1 |r,wU:8.8,30.34,wD:17.19,5.4,7.31,34.38,(4.33,-1.78,;3,-1.01,;3,.53,;4.33,-.24,;1.67,-1.78,;.33,-1.01,;.33,.53,;-1.13,1.01,;-2.04,-.24,;-3.52,.16,;-4.61,-.93,;-6.1,-.53,;-6.5,.96,;-5.41,2.04,;-5.81,3.53,;-3.92,1.65,;-4.32,3.13,;-1.13,-1.49,;-.23,-2.73,;1.31,-2.73,;-1.13,-3.98,;-2.6,-3.5,;-3.93,-4.27,;-5.26,-3.5,;-6.6,-4.27,;-5.26,-1.96,;-3.93,-1.19,;-2.6,-1.96,;-1.53,2.49,;-3.02,2.89,;-.44,3.58,;1.05,3.18,;2.13,4.27,;3.62,3.87,;4.02,2.39,;5.51,1.99,;2.93,1.3,;1.44,1.7,)|
60495 CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)c(F)cc12)C(=O)NC1CC[C@@H](CC1)OC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C |r,wU:8.8,31.35,41.46,wD:17.19,5.4,7.32,35.42,(4.33,-1.78,;3,-1.01,;3,.53,;4.33,-.24,;1.67,-1.78,;.33,-1.01,;.33,.53,;-1.13,1.01,;-2.04,-.24,;-3.52,.16,;-4.61,-.93,;-6.1,-.53,;-6.5,.96,;-5.41,2.04,;-5.81,3.53,;-3.92,1.65,;-4.32,3.13,;-1.13,-1.49,;-.23,-2.73,;1.31,-2.73,;-1.13,-3.98,;-2.6,-3.5,;-3.93,-4.27,;-5.26,-3.5,;-6.6,-4.27,;-5.26,-1.96,;-6.6,-1.19,;-3.93,-1.19,;-2.6,-1.96,;-1.53,2.49,;-3.02,2.89,;-.44,3.58,;1.05,3.18,;2.13,4.27,;3.62,3.87,;4.02,2.39,;2.93,1.3,;1.44,1.7,;5.51,1.99,;6.6,3.08,;6.2,4.56,;8.09,2.68,;8.86,1.34,;10.34,.95,;10.34,-.59,;11.68,-1.36,;13.01,-.59,;13.01,.95,;11.68,1.72,;9.17,3.77,;8.78,5.25,;7.44,6.02,;9.86,6.34,;11.35,5.94,;12.84,5.55,;11.75,4.46,;12.44,7.03,)|
60496 OC[C@@H](O)CCNC(=O)[C@@H]1N[C@H](CC2CCCCC2)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)c(F)cc21 |r|
60497 CC1NON=C1C(=O)NN=CC1=CC(=O)C(=O)C=C1 |w:9.9,c:4,18,t:12|
60498 CN1[C@H](CC(C)(C)C)[C@@]2([C@H]([C@@H]1C(=O)NCC[C@H](O)CO)c1cccc(Cl)c1)C(=O)Nc1cc(Cl)c(F)cc21 |r|
60499 C[N+]1(CCCCSc2ccc(O)cc2)CCCCC1
60500 CN1[C@H](CC(C)(C)C)[C@@]2([C@H]([C@@H]1C(=O)NCC[C@@H](O)CO)c1cccc(Cl)c1F)C(=O)Nc1cc(F)c(F)cc21 |r|
60501 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(=O)OC(C)(C)C
60502 CN1CC(c2ccccc2C1)c1cccc2sccc12
60503 CN1CC(c2ccc3ccccc3c2)c2c(C)cccc2C1
60504 OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
60505 Oc1ccc(CN=Nc2ncnc3n(Cc4ccccc4)cnc23)cc1O |w:7.7|
60506 CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)-c1cnccn1
60507 CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCOCC1
60508 CN1CC(c2cc3ccccc3s2)c2ccc(cc2C1)N1CCCCC1
60509 CN1Cc2ccccc2C(C1Cl)c1ccc2[nH]ncc2c1
60510 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=Cc1cccs1 |w:12.13|
60511 Oc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1 |w:5.4,c:17|
60512 CN1CC(c2ccc3cnsc3c2)c2ccccc2C1
60513 CN1CC(c2ccc3ccccc3c2)c2ccc(cc2C1)-c1cccnn1
60514 CC1NOC(C)C1c1ccc2C(CN(C)Cc2c1)c1ccc2ccccc2c1
60515 N[C@H]1C[C@H](N(C1)C(=O)Nc1cn(C(N)=O)c2ccccc12)C(=O)NCc1cccc(Cl)c1F |r|
60516 NC(=O)c1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccn12 |r|
60517 NC(=O)n1cc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc12 |r|
60518 CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cccc(Cl)c2F)c2cnccc12 |r|
60519 CN1CCCC1=CC=C1SC(S)=NC1=O |w:8.9,6.7,c:12|
60520 Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(O)=O)n(Cc4ccc(Br)cc4)c3c2)nc1 |r|
60521 OCCC(=Cc1ccccc1)C(=O)NN=Cc1ccc(O)cc1O |w:14.14,4.4|
60522 Cc1cnc(C)n2nc(CCc3nc(cn3C)-c3nccs3)nc12
60523 Cc1cccn2nc(CCc3nc(cn3C)-c3cccnc3)nc12
60524 Clc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O |w:14.15|
60525 Cc1ncc(cn1)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)CC1CC1 |r|
60526 FC(F)(F)c1ncc(cn1)C1(CNC(=O)c2ccccc2Cl)CCOCC1
60527 Clc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O |w:14.15|
60528 Cc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(Cl)cc2)c(C)n1-c1sc2CCCCc2c1C#N |w:4.3,(10.07,3.1,;10.55,1.64,;12.01,1.16,;12.01,-.38,;13.26,-1.28,;14.67,-.66,;14.83,.87,;13.58,1.78,;16.23,1.5,;17.48,.59,;18.89,1.22,;17.32,-.94,;15.91,-1.56,;15.75,-3.09,;18.56,-1.84,;18.4,-3.37,;19.65,-4.28,;21.06,-3.65,;22.3,-4.56,;21.22,-2.12,;19.97,-1.22,;10.55,-.86,;10.07,-2.32,;9.64,.39,;8.1,.39,;7.2,-.85,;5.75,-.38,;4.41,-1.15,;3.08,-.38,;3.08,1.16,;4.41,1.93,;5.75,1.16,;7.2,1.63,;7.68,3.09,;8.16,4.56,)|
60529 Cc1ncc(cn1)C(CNC(=O)c1cccc(Cl)c1Cl)c1ccncc1
60530 Cc1ncc(cn1)C(CNC(=O)c1c(F)cccc1Cl)c1ccncc1
60531 FC(F)(F)c1ncc(cn1)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)C1CCOCC1 |r|
60532 CC(NC(=O)c1c(F)cccc1Cl)C1(CCOCC1)c1cnc(C)nc1
60533 Cc1cccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)c1 |w:7.7|
60534 Fc1cccc(Cl)c1C(=O)NC[C@H](C1CCC(F)(F)CC1)c1cnc(nc1)C(F)(F)F |r|
60535 Fc1cccc(Cl)c1C(=O)NC[C@@H](C1CCC(F)(F)CC1)c1cnc(nc1)C(F)(F)F |r|
60536 FS(=O)(=O)CCCCCCCc1cccc(OCc2ccccc2)c1
60537 Cc1cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)c3nc4ccccc4s3)c(O)c(O)cc2c1O |(4,-5.39,;5.33,-4.62,;6.67,-5.39,;8,-4.62,;9.34,-5.39,;9.34,-6.93,;8,-7.7,;10.67,-7.7,;10.91,-9.22,;12.43,-9.46,;13.2,-10.8,;14.74,-10.8,;15.51,-9.46,;14.74,-8.13,;13.2,-8.13,;12.04,-7,;10.67,-4.62,;12,-5.39,;10.67,-3.08,;12,-2.31,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,-3.08,;4,-2.31,;4,-.77,;5.33,,;2.67,,;1.33,-.77,;;,1.54,;-1.33,2.31,;1.09,2.63,;2.62,2.47,;3.25,3.87,;4.73,4.27,;5.13,5.76,;4.04,6.85,;2.56,6.45,;2.16,4.96,;.77,4.14,;-1.33,-.77,;-2.67,,;-1.33,-2.31,;-2.67,-3.08,;,-3.08,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|
60538 [#6]-[#6](-[#6])\[#6]=[#6]-1\[#6](-[#6](=O)-[#7](-[#8])-[#6]-1=O)-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1
60539 CNc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60540 OCCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60541 Nc1[nH]c(=O)sc1C=C1C=CC(=O)C=C1 |c:10,14,(4.76,4.28,;5.91,3.25,;7.41,3.57,;8.18,2.24,;9.72,2.07,;7.15,1.09,;5.75,1.72,;4.41,.95,;4.41,-.59,;5.75,-1.36,;5.75,-2.9,;4.41,-3.67,;4.41,-5.21,;3.08,-2.9,;3.08,-1.36,)|
60542 CCOc1cc(C=C2NC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O |w:6.5|
60543 CN(C)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60544 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60545 COc1cc(C=NNC2=c3ccccc3=NC2=O)cc(OC)c1O |w:6.6,c:8,15|
60546 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
60547 OCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60548 OCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60549 Cc1ccc(s1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60550 Fc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12
60551 Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(cc3)C(F)(F)F)c2c1
60552 Cc1ccc2ccn(C3CCN(CC3)c3ccc(nn3)-c3cnn(C)c3)c2c1
60553 CC(C)(C)OC(=O)NN=Cc1ccc(s1)N1CCOCC1 |w:8.7|
60554 OC(=O)c1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60555 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(Cl)cc12
60556 CN(C)c1ccc(NC(=O)COC(=O)Cn2nnc3ccccc23)cc1
60557 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(cc12)C(F)(F)F
60558 COc1ccc2ccn(C3CCN(CC3)c3ccc(nn3)-c3cnn(C)c3)c2c1
60560 CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60561 COc1cc(C=NNC2=c3ccccc3=NC2=O)ccc1O |w:6.6,c:8,15|
60562 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2cc(Cl)ccc12
60563 Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2c(F)cccc12
60564 Fc1ccc2ccn(C3CCN(CC3)c3ccc(nn3)-c3ccc(nc3)C(F)(F)F)c2c1
60565 OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60566 CCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12
60568 C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)C1C=CC(=O)N=C1 |r,c:29,33|
60569 COc1ccc(cc1C(N)=O)-c1ccc2c(nc(nc2n1)N1CCSCC1)N1CCOC[C@@H]1C |r|
60570 COc1ccc(cc1C(N)=O)-c1ccc2c(nc(nc2n1)N1CCN(C)CC1)N1CCOC[C@@H]1C |r|
60571 COc1ccc(cc1C(N)=O)-c1ccc2c(nc(nc2n1)N1CCOCC1)N1CCOC[C@@H]1C |r|
60572 C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(nc2n1)-c1ccc(N)cc1 |r|
60573 C[C@H]1[C@@H](CCCN1C(=O)c1ncc(C)cc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F |r|
60574 Oc1ccc(NC(=S)Nc2ccccc2)cc1
60576 COc1nc(C)ccc1-c1c(CO)sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12 |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.09,-8.43,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-2.71,-1.3,;-3.48,.03,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;6.53,-.53,;7.87,.24,;7.87,1.78,;9.2,-.53,;9.2,-2.07,;7.87,-2.84,;7.87,-4.38,;6.53,-5.15,;5.2,-4.38,;6.53,-6.69,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,)|
60577 OCCNc1nc(Nc2ccc(O)cc2)nc2ccccc12
60578 CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.51,5.78,;-1.42,4.7,;.06,5.09,;-1.82,3.21,;-.73,2.12,;-1.13,.63,;-.04,-.46,;1.44,-.06,;1.84,1.43,;.75,2.52,;2.53,-1.15,;2.53,-2.66,;3.87,-3.43,;3.87,-4.97,;2.53,-5.74,;1.2,-4.97,;-.13,-5.74,;-1.47,-4.97,;-1.47,-3.43,;-.13,-2.66,;1.2,-3.43,;-2.8,-2.66,;-2.8,-1.12,;-4.13,-.35,;-4.13,.99,;-5.47,-1.12,;-6.8,-.35,;-5.47,-2.66,;-6.8,-3.43,;-4.13,-3.43,;5.2,-2.66,;6.53,-3.43,;5.2,-1.12,)|
60579 Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
60580 CC1SC(N(Nc2ccc(cc2)S(N)(=O)=O)C1=O)c1ccc(cc1)C(F)(F)F
60581 COC(=O)c1ccc2cc(COC(=O)N3CCN(CC3)C(=O)CNC(=O)C=C)ccc2c1
60582 CC[S+](CC)CC(=O)NCC(=O)N1CCN(CC1)C(=O)OCc1ccccc1
60583 Oc1c(C(c2ccc(NC(=S)Nc3cccc(F)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
60584 Oc1ccc(\C=N/N=C2\NC(=O)CS2)c(O)c1
60585 Cc1cccc2nc([nH]c12)-c1cccc(F)c1
60586 CC(c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
60587 Fc1ccc(CNC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc1
60588 Fc1ccc(CNC(=O)Nc2ccc(Oc3ccnc4[nH]c(cc34)-c3cccnc3)c(F)c2)cc1
60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
60590 C1CC1(c1nnc2ncc(nn12)-c1ccccc1)c1ccc2ncccc2c1
60591 Fc1cccc(\C=N\NC(=O)c2nc(cs2)-c2cc3ccccc3oc2=O)c1
60592 FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
60593 Fc1ccc2c(c1)s[nH]c2=O
60594 O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(cc1)-c1nc2ccccc2s1 |TLB:10:11:15:8.9.14,14:9:16:15.13.12,14:13:16:8.9.10,THB:10:9:15:16.11.12|
60595 Cc1cccc(c1)N1NC(=O)\C(=C\c2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O
60596 CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12
60597 Oc1ccc2occ(\C=C(/C#N)C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
60598 Oc1ccc(cc1)N(C(=O)c1cc(-c2ccc3OCOc3c2C(=O)N2Cc3ccccc3C[C@H]2CON2CCOCC2)n2CCCCc12)c1ccccc1
60599 NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1cc(Br)ccc1O)c1ccc(F)cc1 |c:12|
60600 COC(=O)C1N2[C@@H](CC2=O)O\C1=C(/C\C=C\c1ccccc1)C=O
60601 CCCCCCCCCCCCCCO[C@H]1[C@H](O)[C@@H](C[N+](C)(C)C2CCCC2)O[C@H](OC)[C@@H]1OCCCCCCCCCCCCCC
60602 CN1[C@H]2CC[C@@H]1CC(C2)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |r,t:52,TLB:9:7:3.4:1|
60603 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCN4CCN(CC4)S(C)(=O)=O)c(c3)[N+]([O-])=O)c(Oc3cccc4[nH]ccc34)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
60604 C=CCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1
60605 Cc1cc(C)n2nc(nc2n1)C(=O)NN=Cc1ccc(O)cc1 |w:14.15|
60606 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCN4CCN(Cc5nccs5)CC4)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:64|
60607 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC45CC6CC(C[C@@](O)(C6)C4)C5)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:64,TLB:28:29:32:37.34.35,36:35:32:30.39.29,THB:38:29:32:37.34.35,38:35:32:30.39.29|
60608 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC45CC6CC(C[C@@](O)(C6)C4)C5)c(c3)[N+]([O-])=O)c(Oc3ccc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:64,TLB:28:29:32:34.37.35,36:35:32:39.30.29,THB:30:31:34:39.29.38,30:29:34:32.31.37,38:29:32:34.37.35,38:35:32:39.30.29|
60609 CN1[C@H]2CC[C@@H]1CC(C2)Nc1ccccc1CN1CCN(CC1)c1ccc(C(=O)NS(=O)(=O)c2ccc(NCC3CCOCC3)c(c2)[N+]([O-])=O)c(Oc2ccccc2)c1 |r,TLB:9:7:3.4:1|
60610 COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)cc(OC)c1O |w:6.6|
60611 COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
60612 Fc1ccc(CCN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
60613 CCN(CC)CCOc1ccc2C(=O)c3c(n(C)c4cc(C)ccc34)C(C)(C)c2c1
60614 CCN(CC)CCOc1ccc2C(=O)c3c(n(C)c4cc(NC(=O)Cc5ccccc5)ccc34)C(C)(C)c2c1
60615 Cn1c2c(C(=O)c3ccc(OC[C@@H](O)[C@H](O)CO)cc3C2(C)C)c2ccc(cc12)C(=O)Nc1ccccc1 |r|
60616 CN(C)C(=O)c1ccc2c3c(n(C)c2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O |r|
60617 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCCCCCC(O)=O)cc12
60618 CCOC(=O)c1c(NC(=O)\C=C\C(O)=O)sc(C)c1-c1ccc(cc1)C(C)(C)C
60619 CCN(CC)C(=O)COc1ccc2C(=O)c3c(oc4ccccc34)C(C)(C)c2c1
60620 CC1(C)c2oc3ccccc3c2C(=O)c2ccc(OCC(=O)NCCOCCO)cc12
60621 CC1(C)c2oc3cc(OCC(=O)Nc4ccccc4)ccc3c2C(=O)c2ccc(OC[C@@H](O)CO)cc12 |r|
60622 OC(C1CCN(CC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
60623 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(CCC(C)(C)C)S(=O)(=O)c1ccc2[nH]ccc2c1)C(F)(F)F |r|
60624 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1)C(F)(F)F |r|
60625 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc2ncsc2c1)C(F)(F)F |r|
60626 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc2[nH]ncc2c1)C(F)(F)F |r|
60627 COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc(s1)[C@@H](CO)N(C(C)C)S(=O)(=O)c1ccc(N)cc1F)C(F)(F)F |r|
60628 COCCn1nnnc1C(N1CCN(CC1)c1ccc(O)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O
60629 Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
60630 CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12
60631 C[C@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r|
60632 C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r|
60633 CCCC1(C)C(=O)N(N=C1c1ccc(OC)c(OC)c1)C1CCN(CC1)C(=O)CCl |c:8|
60634 CCC1(C)C(=O)N(N=C1c1ccc(OC)c(OC)c1)C1CCN(CC1)C(=O)CCl |c:7|
60635 COc1ccc(cc1OC)C1=NN(C2CCN(CC2)C(=O)CN2C(=O)CSCC2=O)C(=O)C1(C)C |t:11|
60636 [#8]-[#6@@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
60637 [#8]-[#6@H]-1-[#6]-c2ccccc2\[#6](-c2ccsc-12)=[#6]-1/[#6]-[#6]-[#7]-[#6]-[#6]-1 |r|
60638 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NC(C)(C)C(O)=O)nc1
60639 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(NN2CC[C@H](C2)NC(=O)c2ccc3cc[nH]c3c2)nc1 |r|
60640 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCN(CC1)C(=O)c1ccc2cccnc2c1
60641 Cc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C1=O |w:14.15|
60642 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCN(CC1)C(=O)c1ccc2cc[nH]c2c1
60643 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCN(CC1)C(=O)c1c[nH]c2ccccc12
60644 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCN(CC1)C(=O)c1ccc2nc(C)c(C)nc2c1
60645 Cc1c([nH]c2ccccc12)C(=O)N1CCC(O)(CC1)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)(F)F)n1
60646 Cc1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)-c1ccc(nc1)C1(O)CCN(CC1)C(=O)c1cc([nH]n1)-c1ccncc1
60647 CN=C.[H][C@@]1(CC[C@@H](CC1)C(=O)OC)C(C)(O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)F)n1 |r,wD:4.2,7.9,(6.64,-4.64,;7.41,-3.31,;6.64,-1.97,;-4.95,-.87,;-3.62,-1.64,;-3.62,-.1,;-2.28,.67,;-.95,-.1,;-.95,-1.64,;-2.28,-2.41,;.39,.67,;.39,2.21,;1.72,-.1,;3.05,.67,;-4.95,-2.41,;-3.62,-3.18,;-4.95,-3.95,;-6.28,-1.64,;-7.62,-2.41,;-8.95,-1.64,;-8.95,-.1,;-7.62,.67,;-6.28,-.1,;-10.28,.67,;-11.62,-.1,;-12.95,.67,;-14.29,-.1,;-12.95,2.21,;-11.62,2.98,;-11.62,4.52,;-10.28,5.29,;-8.95,4.52,;-7.62,5.29,;-7.62,6.83,;-8.95,7.6,;-10.28,6.83,;-6.28,4.52,;-4.95,5.29,;-6.27,2.92,;-10.28,2.21,)|
60648 Nc1ccc2nc(CCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
60649 [O-][N+](=O)\C=C/c1ccc(cc1)N1CCOCC1
60650 CN=C.[H][C@@]1(CC[C@H](CO)CC1)C(C)(O)c1ccc(cn1)-c1cc(C)cc(Nc2cc(ccn2)C(F)F)n1 |r,wD:4.2,7.6,(6.64,-4.64,;7.41,-3.31,;6.64,-1.97,;-4.95,-.87,;-3.62,-1.64,;-3.62,-.1,;-2.28,.67,;-.95,-.1,;.39,.67,;1.72,-.1,;-.95,-1.64,;-2.28,-2.41,;-4.95,-2.41,;-3.62,-3.18,;-4.95,-3.95,;-6.28,-1.64,;-7.62,-2.41,;-8.95,-1.64,;-8.95,-.1,;-7.62,.67,;-6.28,-.1,;-10.28,.67,;-11.62,-.1,;-12.95,.67,;-14.29,-.1,;-12.95,2.21,;-11.62,2.98,;-11.62,4.52,;-10.28,5.29,;-8.95,4.52,;-7.62,5.29,;-7.62,6.83,;-8.95,7.6,;-10.28,6.83,;-6.28,4.52,;-4.95,5.29,;-6.27,2.92,;-10.28,2.21,)|
60651 CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCC1)-c1cccc(Cl)n1
60652 CNc1nc(Nc2ccc(cc2OC)S(C)(=O)=O)ncc1C(F)(F)F
60653 CNc1nc(Nc2ccc(cc2OC)S(C)(=O)=O)ncc1Cl
60654 CNc1nc(Nc2cc(F)c(cc2OC)C#N)ncc1C(F)(F)F
60655 Cc1ccc(C=NNC(=O)COc2ccc(C)cc2[N+]([O-])=O)cc1
60656 CNc1nc(Nc2c(OC)cc(cc2C(F)(F)F)C#N)ncc1C(F)(F)F
60657 CNc1nc(Nc2ccc(cc2OC)C#N)ncc1Cl
60658 CCn1ncc2cc(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)ccc12 |r|
60659 Clc1ccc(cc1)S(=O)c1snnc1C(=O)N1CCOCC1
60660 Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
60661 CCn1ncc2cc(Nc3nc(N[C@H]4CCCNC4)nnc3C(N)=O)ccc12 |r|
60662 NC1CCCCC1Nc1ccc(C(N)=O)c(Nc2ccccc2Br)c1
60663 NC1CCCCC1Nc1ccc(C(N)=O)c(Nc2cccc3OCOc23)c1
60664 CN(C)CCNc1ccc(C(N)=O)c(Nc2cccc(C)c2)c1
60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
60666 CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
60667 CCc1cc2c(N)nccc2cc1C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc(nc2)N(C)C)C1=O)C(O)=O |r|
60668 CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
60669 CC[C@H](N)c1ccc(Cl)c(C(=O)c2ccccc2)c1F |r|
60670 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60671 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F |r|
60672 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
60673 Oc1ccc(C=NNC(=O)CSc2nc3ccccc3o2)cc1O |w:6.6|
60674 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cncnc2)c1F |r|
60675 NC1=NC(=O)C(S1)=Cc1ccco1 |w:7.8,t:1|
60676 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(cc2)C#N)c1F |r|
60678 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cc(C)on2)c1F |r|
60679 CC[C@H](NC(C)(C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
60680 OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
60681 C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
60682 CC[C@@H](NC1CCCC1C(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60683 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)-n2cccn2)c1F |r|
60684 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(C)c(C(=O)c2ccccc2)c1F |r|
60685 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccccc2)c1F |r|
60686 Oc1ccc(CN=Nc2cn[nH]c(=O)c2Cl)c(O)c1 |w:7.7|
60687 C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60688 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(F)c(C(=O)c2ccccc2)c1F |r|
60689 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(nc2)-n2cc(CO)cn2)c1F |r|
60690 O=C1C=CC(=O)N1c1ccc2OCC(=O)Nc2c1 |c:2|
60691 Sc1nnc(NC(=O)Cn2c3ccccc3oc2=O)s1
60692 CC[C@@H](N[C@H](C)CO)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
60693 CC[C@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccnc2)c1F |r|
60694 CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60695 CC[C@H](NCCC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60696 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(CO)cc2)c1F |r|
60697 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(CO)c2)c1F |r|
60698 C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2cnc(N)cn2)c1F |r|
60699 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccnc(N)c2)c1F |r|
60700 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(NC)nc2)c1F |r|
60701 O=S(=O)(Nc1nc2cc(ccc2s1)S(=O)(=O)NC1=NCCCCC1)c1ccc2ccccc2c1 |t:19|
60702 COc1ccc([C@H](N[C@H](C)CC(N)=O)C2CC2)c(F)c1C(=O)c1ccc(F)cc1 |r|
60703 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(Cl)c2)c1F |r|
60704 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(Cl)c2)c1F |r|
60705 Oc1ccc(C=NNC(=O)COc2cccc3cccnc23)cc1 |w:6.6|
60706 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
60707 CN=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:12.13,1.0|
60708 CC[C@H](N)c1ccc(Cl)c(C(=O)c2ccc(C#N)c(OC)c2)c1F |r|
60709 CC[C@@H](CC(N)=O)N[C@H](CC)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60710 CC[C@H](CC(N)=O)N[C@H](CC)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60711 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3OCC(=O)Nc3n2)c1F |r|
60712 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(O)cc2)c1F |r|
60713 CCOc1cc(C=c2[nH]c3=CCCCCn3c2=O)ccc1O |w:6.5,t:9|
60714 CC[C@@H](N[C@H](C)CC(=O)NCCO)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60715 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3NC(=O)COc3c2)c1F |r|
60716 CC[C@H](NC(C)(C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F |r|
60717 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F |r|
60718 C[C@H](CC(N)=O)N[C@H](CC=C)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60719 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60722 OCC1OC(C(O)C(O)C1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
60723 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
60724 OCC1OC(C(O)C(O)C1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
60725 C[C@H](CC(N)=O)N[C@H](C1CC1)c1ccc(Cl)c(C(=O)c2ccc3NC(=O)COc3c2)c1F |r|
60726 Sc1nnc(NCCCN2CCOCC2)s1
60727 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(N)c(C)c2)c1F |r|
60728 CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(OC)c(C(=O)c2ccc(cc2)C#N)c1F |r|
60729 Oc1ccc(C=NNC2=c3ccccc3=NC2=O)cc1O |w:6.6,c:8,15|
60730 C[C@H](CC(N)=O)N[C@H](CC1CC1)c1ccc(Cl)c(C(=O)c2ccc(N)nc2)c1F |r|
60731 CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3NC(=O)COc3c2)c1F |r|
60732 Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(c2)-n2nccn2)c1-n1nccn1
60733 COC(=O)CSCCCS[C@@H]1[C@@H](\C=C\C(O)CCc2sc3ccccc3c2Cl)[C@H](O)C(C)(C)C1=O
60734 CC1(C)[C@@H](O)[C@H](\C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H](SCCCSCC(O)=O)C1=O
60735 Cc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1 |t:11|
60736 Cc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 |t:11|
60737 Cc1noc(n1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1 |t:11|
60738 Cc1noc(n1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(Cl)c1 |t:11|
60739 Cc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:11|
60740 OCc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:12|
60741 OCc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1 |t:12|
60742 OCc1nnc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c(Cl)c1 |t:12|
60743 OCc1nc(no1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c(Cl)c1 |t:12|
60744 OCc1nc(no1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:12|
60745 OCc1ncoc1-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c(Cl)c1 |t:12|
60746 OCc1cc(no1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c(Cl)c1 |t:12|
60747 CSS(=O)(=O)c1cccc2cccnc12
60748 OCc1cc(no1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:12|
60749 OCc1noc(n1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c(Cl)c1 |t:12|
60750 OCc1noc(n1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:12|
60751 Cc1cc(NC(=O)N2CCC(=CC2)c2ncc(cc2Cl)-c2nc(CO)no2)ccc1C(F)(F)F |c:10|
60752 Cc1cc(NC(=O)N2CCC(=CC2)c2ncc(cc2Cl)-c2nnc(CO)o2)ccc1OC(F)(F)F |c:10|
60753 Cc1c(N2C(=S)S\C(=C\c3ccccc3O)C2=O)c(=O)n(-c2ccccc2)n1C
60754 OCc1ncc(o1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:12|
60755 OCc1nc(no1)-c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F
60756 Cc1cc(N=NCc2ccc(O)cc2O)nc(n1)N1CCOCC1 |w:4.3|
60757 OCc1nc(no1)-c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(cn1)C(F)(F)F
60758 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/C=C/c2ccco2)C1=O
60759 OCc1noc(n1)-c1cnc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(F)c1 |t:12|
60760 COc1cccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)c1O |w:8.8|
60761 Cc1cc(NC(=O)N2CCC(=CC2)c2ncc(cc2Cl)-c2nnc(CCO)o2)ccc1OC(F)(F)F |c:10|
60762 Cc1cc(NC(=O)N2CCC(=CC2)c2ncc(cc2Cl)-c2nnc(CCO)o2)ccc1C(F)(F)F |c:10|
60763 OCC1CC(=NO1)c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F |c:4|
60764 OCC1CC(=NO1)c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |c:4|
60765 Clc1ccc(cc1)-c1n[nH]c(=S)n1N=CC=Cc1ccco1 |w:13.14,15.16|
60766 CC(C=Nn1c(n[nH]c1=S)-c1n[nH]c2CCCc12)=Cc1ccco1 |w:3.3,18.21|
60767 Cc1cc(NC(=O)N2CCC(F)(CC2)c2ncc(cc2Cl)-c2ocnc2CO)ccc1C(F)(F)F
60768 Cc1cc(NC(=O)N2CCC(F)(CC2)c2ncc(cc2Cl)C2=NOC(CO)C2)ccc1C(F)(F)F |t:23|
60769 Cc1cc(NC(=O)N2CCC(F)(CC2)c2ncc(cc2Cl)-c2nc(CO)no2)ccc1C(F)(F)F
60770 OCc1noc(n1)-c1cnc(c(Cl)c1)C1(F)CCN(CC1)C(=O)Nc1ccc(c(Cl)c1)C(F)(F)F
60771 Cc1cc(NC(=O)N2CCC(=CC2)c2ncc(cc2F)-c2nc(CO)no2)ccc1C(F)(F)F |c:10|
60774 OCc1nnc(o1)-c1ccc(C#CC(=O)Nc2ccc(cc2)C(F)(F)F)c(Cl)c1
60775 OCc1nnc(o1)-c1ccc(C2=CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1 |t:12|
60776 OCc1nnc(o1)-c1cnc(N2CCN(CC2)C(=O)Nc2ccc(c(Cl)c2)C(F)(F)F)c(Cl)c1
60777 COc1ccccc1N1C(=O)C=C(Sc2nc(C)cc(C)n2)C1=O |t:12|
60778 O=C1ON=C(\C1=C/c1ccco1)c1ccccc1 |c:3|
60779 OCc1nnc(o1)-c1cnc(N2CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1
60780 Cc1cc(NC(=O)N2CCN(CC2)c2ncc(cc2Cl)-c2nnc(CO)o2)ccc1C(F)(F)F
60781 OCc1noc(n1)-c1cnc(N2CCN(CC2)C(=O)Nc2ccc(cn2)C(F)(F)F)c(Cl)c1
60782 Cc1cc(NC(=O)N2CCN(CC2)c2ncc(cc2Cl)-c2nc(CO)no2)ccc1C(F)(F)F
60783 Nc1ccc(OCCCc2c(N)nc(N)nc2N)cc1
60784 COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCCN(CCC2NC(=O)C3=C(CCOC3)N2)C1=O |r,t:29|
60785 COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCCN(CCC2NC(=O)C3=C(CCOC3)N2)C1=O |r,t:29|
60786 Cc1ccc(\C=C2/C(=O)ON=C2c2ccc(C)cc2)o1 |c:10|
60787 CN(C)CCC(=O)Nc1ccc2[nH]cc(-c3cn(Cc4ccccc4)nn3)c2c1
60788 CN1CCN(CC1)c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1
60789 Oc1ccc(cc1O)C(=O)OCCCN1CCOCC1
60790 OC[C@H](O)CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 |r|
60791 CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)n1 |r,t:20|
60792 CC(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(cc3)C#N)c2)c2cnccc12
60793 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CC(C)(C)O)c3)c2)c2cnccc12
60794 CC(C)c1cc(C)n(CC(=O)Nc2cncc(c2)C(=O)c2cn(C(C)C)c3ccncc23)n1
60795 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nc(cc3C)C(F)(F)F)c2)c2cnccc12
60796 Oc1ccc(C=NNC(=S)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1O |w:6.6|
60797 CC(C)c1cn(CC(=O)Nc2cncc(c2)C(=O)c2cn(C(C)C)c3ccncc23)nn1
60798 CC(C)c1ccnn1CC(=O)Nc1cncc(c1)C(=O)c1cn(C(C)C)c2ccncc12
60799 CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccc(c(F)c3)C(F)(F)F)c2)c2cnccc12
60800 CCCCC1(C)OC(=O)C(=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C(=O)O1 |(3.08,-7.77,;4.62,-7.77,;5.39,-6.43,;6.93,-6.43,;7.7,-5.1,;8.47,-6.43,;6.37,-4.33,;6.37,-2.79,;5.03,-2.02,;7.7,-2.02,;7.7,-.48,;9.03,.29,;10.44,-.34,;11.47,.81,;10.7,2.14,;9.2,1.82,;11.33,3.55,;10.42,4.79,;11.05,6.2,;12.58,6.36,;13.21,7.77,;13.49,5.12,;12.86,3.71,;15.02,5.28,;15.92,4.03,;15.64,6.68,;9.03,-2.79,;10.37,-2.02,;9.03,-4.33,)|
60801 COCc1cn(CC(=O)Nc2cncc(c2)C(=O)c2cn(C(C)C)c3ccncc23)nn1
60802 Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(OCC(O)=O)c(Cl)c3)c12 |w:15.15|
60803 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3nnn[nH]3)c2)c2cnccc12
60804 NC(=NN=Cc1ccc(O)c(O)c1)c1nonc1N |w:2.2,4.4|
60805 CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(nn3)C(C)(C)O)c2)c2cnccc12
60806 O=C(Nc1ccc(cc1)S(=O)(=O)N1CC2CCC(C1)O2)\C=C\c1cccnc1
60807 COc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
60808 O=c1nc2sc3ccccc3n2c(=O)n1-c1ccccc1
60809 O=C1NC(=O)C(=CC=Cc2ccccc2)C(=O)N1c1ccccc1 |w:6.6,8.8|
60810 COC(C)(C)[C@H](F)CNC(=O)c1cnc(cc1NC1CCCC(CO)C1)-n1ccc2cc(cnc12)C#N |r|
60811 COc1ccc2c(c1)sc1nc(=O)n(Cc3ccccc3)c(=O)n21
60812 Cc1ccccc1Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
60813 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1C(N[C@H](C(N)=O)c1ccccc1)c1ccccc1)OC |r,THB:9:8:23:19.5.6|
60814 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCS(=O)(=O)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:58|
60815 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC(F)(F)F)CC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
60816 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC(F)(F)F)C4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60|
60817 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4C=C5)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:35,58|
60818 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4[C@@H](O)[C@@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:60|
60819 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4C[C@H]5C[C@@H]4[C@H](O)[C@H]5O)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |r,c:60|
60820 COCCOCCN1CCOC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1 |t:54|
60821 NC(=O)C1C(C(C#N)C(=N)NC1=S)c1ccccc1F
60822 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C4)C4COC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:60,@:33|
60823 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(CS(F)(F)(F)(F)F)c3)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:61|
60824 C[C@]1(O)C[C@H]2C[C@@H]1CC2CONc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |r,t:52|
60825 C[C@]1(O)C[C@@H]2C[C@@H]1CC2CONc1ncc(cc1Cl)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cnc2[nH]ccc2c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1 |r,t:52|
60826 O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2sc3CCCc3c12
60827 CC[C@]1(O)CCC(CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cnc3[nH]ccc3c2)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)CC1 |r,wU:2.2,wD:2.1,t:49,(-7.71,3.96,;-7.71,5.5,;-6.38,6.27,;-7.15,7.6,;-5.29,7.36,;-3.8,6.96,;-3.4,5.47,;-1.91,5.07,;-.83,6.16,;.71,6.16,;1.48,4.83,;3.02,4.83,;3.79,6.16,;3.02,7.49,;1.48,7.49,;.71,8.83,;1.48,10.16,;-.83,8.83,;5.33,6.16,;5.33,7.7,;6.87,6.16,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;8,1.54,;8,,;6.67,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;,1.54,;1.33,2.31,;6.67,-2.31,;8,-3.08,;8,-4.62,;6.67,-5.39,;6.67,-6.93,;8,-7.7,;8,-9.24,;9.34,-10.01,;10.67,-9.24,;11.44,-10.57,;12.16,-8.84,;10.67,-7.7,;9.34,-6.93,;6.67,-10.01,;6.67,-11.55,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;4,-10.01,;5.33,-9.24,;5.33,-4.62,;5.33,-3.08,;-4.49,4.38,;-5.98,4.78,)|
60828 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 |c:57|
60829 FC(F)(F)c1ccccc1Nc1s[nH]c(=O)c1C#N
60830 OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCCCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)C2NC(=[NH2+])NC12
60831 CSC1=NS(=O)(=O)c2c(C)nn(C)c2S1 |t:2|
60832 CC1(C)C2CC1C(CCOc1ccc(CCC(N)(CO)CO)cc1)CC2 |TLB:7:6:1:4|
60833 COc1cc(ccc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 |TLB:15:10:17:13.16.14,15:14:17:11.10.9,11:12:10.9.15:16,THB:11:10:12.17.13:16|
60834 COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1 |TLB:15:10:17:13.16.14,15:14:17:11.10.9,11:12:10.9.15:16,THB:11:10:12.17.13:16|
60835 CCCCCCCCOc1ccc(CCC(N)(CO)CO)cc1C12CC3CC(CC(C3)C1)C2 |TLB:26:27:25.24.30:31,30:25:32:28.31.29,30:29:32:26.25.24,THB:26:25:27.32.28:31|
60836 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
60837 Clc1cccc(c1)-c1cc(n[nH]1)-c1ccc(cc1)C1CNCCO1
60838 N#Cc1cccc(c1)-c1cc(n[nH]1)-c1ccc(cc1)C1CNCCO1
60839 OC(=O)C1Nc2ccc(OC(F)(F)F)cc2C2C=CCC12 |c:18|
60840 S(Sc1ccccn1)c1ccccn1
60841 C=CC(=O)Oc1ccc(cc1)N1Cc2ccccc2C1=O
60842 COC1=CC(=Cc2c([nH]oc2=O)-c2ccc(Cl)cc2)C=CC1=O |w:5.5,c:21,t:2|
60843 CCCCCC(=O)Nc1ccc2N(C(C)=O)C(C)(C)CC(C)(c3ccccc3)c2c1
60844 CC(=O)N1c2ccc(NC(=O)c3ccccn3)cc2C(C)(CC1(C)C)c1ccccc1
60845 CC(=O)N1c2ccc(NC(=O)OCCOc3ccccc3)cc2C(C)(CC1(C)C)c1ccccc1
60846 OCc1ccccc1SSc1ccccc1CO
60847 CCCCOC(=O)Nc1ccc2N(C(C)=O)C(C)(C)CC(C)(c3ccccc3)c2c1
60848 CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2C(C)(CC1(C)C)c1ccccc1
60849 CC(=O)N1c2ccc(NC(=O)CCc3cccs3)cc2C(C)(CC1(C)C)c1ccccc1
60850 CC(=O)N1c2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2C(C)(CC1(C)C)c1ccccc1
60851 CC(=O)N1c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2C(C)(CC1(C)C)c1ccccc1
60853 CC(C)CCOC(=O)Nc1ccc2N(CCC(C)(c3ccccc3)c2c1)C(C)=O
60854 Cc1cc(C)nc(SSc2nc(C)cc(C)n2)n1
60855 CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3(C)CC3)ccc12
60856 CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)OCC3CCC3)ccc12
60857 CC(C)[C@H](C)OC(=O)Nc1ccc2N(CCC(C)(c3ccccc3)c2c1)C(C)=O |r|
60858 Oc1ccc(cc1O)-c1csc(Nc2cccc3ccccc23)n1
60859 Brc1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)s1
60860 CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)O[C@H]3CC4CC[C@H]3C4)ccc12 |r|
60861 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
60862 CC(=O)N1CCC(C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |c:21,t:9|
60863 CC(=O)N1c2ccc(NC(=O)CCc3cccc(c3)C(F)(F)F)cc2C(C)(CC1(C)C)c1ccccc1
60864 CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc12
60865 CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)c3ccc(Br)s3)ccc12
60866 CC(=O)N1CCC(C)(c2ccccc2)c2cc(NC(=O)NCc3cccc(Cl)c3)ccc12
60867 CC(=O)N1c2ccc(NC(=O)CCc3cccc(Cl)c3)cc2[C@](C)(CC1(C)C)c1ccccc1 |r|
60868 OC(=O)C(S)C(S)C(O)=O
60869 CC(=O)N1c2ccc(NC(=O)CCc3cccc(c3)C(F)(F)F)cc2[C@](C)(CC1(C)C)c1ccccc1 |r|
60870 CC(=O)N1CC[C@@](C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |r,c:21,t:9|
60871 CCn1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O |w:4.3|
60872 CC(=O)N1CC[C@](C)(c2ccccc2)c2cc(NC(=O)Cc3ccc(F)c(Cl)c3)ccc12 |r|
60873 Cn1c2cccc(CC(=O)Nc3ccn(n3)-c3cccc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
60874 Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OCC(F)(F)F)c(F)c1
60875 OC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1
60876 CCC(=O)N[C@@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1 |r|
60877 CCC(=O)N[C@H]1CCc2c1cncc2-c1ccc(Cl)c(F)c1 |r|
60878 CCC(=O)N[C@@H]1CCc2c1cncc2-c1ccc(F)c(C)c1 |r|
60879 CCC(=O)N[C@H]1CCc2c1cncc2-c1ccc(F)c(C)c1 |r|
60880 OP(O)(=O)CCOCCn1c[nH]c2c1nc[nH]c2=O
60881 Oc1ccc(C=NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)cc1O |w:6.6|
60882 Cc1cc2c(Nc3ccc(O)cc3)ncnc2s1
60883 COc1cc(C=C2SC(Nc3ccc(Cl)c(c3)C(O)=O)=NC2=O)c(Br)c(Br)c1O |w:5.4,c:20|
60884 OP(O)(=O)CCNCCn1c[nH]c2c1nc[nH]c2=O
60885 COc1ccc(cc1)-n1c(C=Cc2ccc(O)c(O)c2)nc2ccccc2c1=O |w:10.10|
60886 CCOC(=O)CN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60887 COC(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60888 COC(=O)CCCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60889 OC(=O)C(N1C(=S)S\C(=C\c2ccc(O)c(O)c2)C1=O)c1ccccc1
60890 OP(O)(=O)CCN(CCC#N)CCn1c[nH]c2c1nc[nH]c2=O
60891 OP(O)(=O)CCN(CCCC#N)CCn1c[nH]c2c1nc[nH]c2=O
60892 OC(=O)CN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60893 OC(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60894 OC(=O)CCCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60895 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
60896 OCCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60897 OP(O)(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
60898 CNC(C)(C)C=C(C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r,w:5.4|
60899 CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
60900 COCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
60901 CC(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
60902 CC(C)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc12 |r|
60903 Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
60904 Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c12)[C@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:34.39|
60905 Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)[C@H]1CCCN(C1)C(=O)C(=CC1CC1)C#N |r,w:32.37|
60906 [O-][n+]1cccc2C(COc12)NC(=O)Cc1cccc(c1Cl)C(F)(F)F
60907 [O-][n+]1ccc2C(COc2c1)NC(=O)Cc1cccc(c1Cl)C(F)(F)F
60908 CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC3)c2cn1)c1ccc(F)cc1 |r|
60909 CC(C)(O)[C@H](NC(=O)Nc1cc2[nH]nc(OC3CCOC3)c2cn1)c1ccc(F)cc1 |r|
60910 OC(=O)c1cccc(c1)-c1ccc(\C=C2/C(=O)NN(C2=O)c2ccccc2)o1
60911 COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(Cl)cc3)C(C)(C)O)ncc12 |r|
60912 OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3ccco3)C2=O)cc1O
60913 COCCOc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(Cl)cc3)C(C)(C)O)ncc12 |r|
60914 CCOc1ccc(C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 |TLB:10:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:12.21.13|
60915 Oc1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc1O
60916 Oc1ccc2[nH]c3ccccc3c(=O)c2c1
60917 Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
60918 Nc1ccc(O)c(c1)C(O)=O
60919 OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
60920 NC(=S)c1cccnc1
60921 c1ccc2cnccc2c1
60923 Fc1ccc2oc(=O)c(cc2c1)C(=O)CS(=O)(=O)c1ccccc1
60924 NC(=O)c1cnc2ccccc2c1
60925 CC\C=C\C=C/C=C\C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
60926 CCCCCCC(CCCCCCCCCCC(O)=O)N(C)c1ccc([N+]([O-])=O)c2nonc12
60927 OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
60928 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O |r|
60929 C[C@H]1N(C2CCCC2)c2cc(ccc2NC1=O)-c1c(C)noc1C
60930 Clc1ccc(\C=N\Nc2cnc3ccccc3n2)cc1
60931 Cc1cc(NC(=O)Nc2cccc(c2)C(F)(F)F)ccc1-c1nc(n2ccnc(N)c12)C1(C)CC1
60932 CCCCCn1c(=O)n(C)c2nc3N(CC(C)Cn3c2c1=O)c1ccc(OC)cc1
60933 Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C@](C)(c12)c1ccccc1 |r,t:6|
60934 CS(=O)(=O)[C@H]1CC[C@@H](CC1)c1cnc(N)c(n1)-c1ccc(C(=O)NCc2ccccc2)c(F)c1 |r,wU:7.10,wD:4.3,(4.77,-13.3,;4,-14.63,;5.33,-15.4,;3.23,-15.96,;2.67,-13.86,;2.67,-12.32,;1.33,-11.55,;,-12.32,;,-13.86,;1.33,-14.63,;-1.33,-11.55,;-2.67,-12.32,;-4,-11.55,;-4,-10.01,;-5.33,-9.24,;-2.67,-9.24,;-1.33,-10.01,;-2.67,-7.7,;-4,-6.93,;-4,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;-4,-2.31,;-4,-.77,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;-1.33,-5.39,;,-4.62,;-1.33,-6.93,)|
60935 CCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1C1CC1
60936 Cn1cc2c(n1)nc(NC(=O)CCCc1cn(CCCCCCNC(=O)c3ccc(c(c3)C([O-])=O)-c3c4ccc(N)c(c4oc4c(c(=[NH2+])ccc34)S([O-])(=O)=O)S([O-])(=O)=O)nn1)n1nc(nc21)-c1ccco1 |(-14.96,-7.91,;-14.19,-6.57,;-12.7,-6.18,;-12.62,-4.64,;-13.96,-3.87,;-15.03,-5.28,;-13.96,-2.33,;-12.62,-1.56,;-12.62,-.02,;-11.29,.75,;-11.29,2.29,;-9.95,-.02,;-8.62,.75,;-7.29,-.02,;-5.95,.75,;-4.49,.28,;-3.58,1.52,;-2.1,1.12,;-1.7,-.36,;-.16,-.36,;.61,.97,;-.16,2.3,;.61,3.64,;2.15,3.64,;2.92,2.3,;2.15,.97,;4.46,2.3,;5.23,3.64,;6.77,3.64,;7.54,2.3,;6.77,.97,;5.23,.97,;7.54,-.36,;6.21,-1.13,;8.88,-1.13,;9.08,2.3,;9.85,3.64,;9.08,4.97,;9.85,6.3,;11.39,6.3,;12.16,7.64,;12.16,4.97,;11.39,3.64,;12.16,2.3,;11.39,.97,;12.16,-.36,;11.39,-1.7,;12.16,-3.03,;9.85,-1.7,;9.08,-.36,;9.85,.97,;13.7,-.36,;15.04,-1.13,;14.47,.97,;13.7,-1.9,;13.7,4.97,;15.04,4.2,;14.47,6.3,;13.7,3.43,;-4.49,2.77,;-5.95,2.29,;-11.29,-2.33,;-9.82,-1.85,;-8.92,-3.1,;-9.82,-4.34,;-11.29,-3.87,;-7.38,-3.1,;-6.47,-4.34,;-5.01,-3.87,;-5.01,-2.33,;-6.47,-1.85,)|
60937 COc1cc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)cc(c1O)[N+]([O-])=O
60938 COc1cc(C=C2C(=O)N=C3SC(=NN3C2=N)S(C)(=O)=O)ccc1OS(=O)(=O)c1ccc(C)cc1 |w:5.4,c:12,t:9|
60939 CCCC[C@H]1OC(=O)c2ccccc12
60940 NC(=O)C1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)NC(=O)\C=C\C(=O)N1 |r,t:47|
60941 C[C@H](O)[C@@H](O)c1cnc(N2CCN(CC2)C(=O)Nc2nc3ccc(C)cc3s2)c(F)c1 |r|
60942 C[C@@H]1CN(CCN1c1ncc(cc1F)[C@H](O)CO)C(=O)Nc1nc2cc(F)c(F)cc2s1 |r|
60943 C[C@H](O)[C@@H](O)c1cnc(N2CCN([C@@H](C)C2)C(=O)Nc2nc3ccc(F)cc3s2)c(F)c1 |r|
60944 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12 |c:5,10|
60945 Nc1c(\C=C2\C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12 |c:5,10|
60946 Brc1ccc(\C=C2/C(=O)N=C3SC(CC(=O)N4CCCC4)=NN3C2=N)o1 |c:21,t:9|
60947 COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1
60948 OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)ccc1O
60949 CC(C)c1ccc(NC(=O)NC2CCN(CC2)S(=O)(=O)C2CC2)cc1
60950 CC(N1C(=S)S\C(=C\c2ccco2)C1=O)C(=O)Nc1ccc(C(O)=O)c(O)c1
60951 O=C(CN1C(=S)S\C(=C/c2ccco2)C1=O)NC1CCS(=O)(=O)C1
60952 CCC=O
60953 O=Cc1ccccc1
60954 CCOCc1nc2c(N)nc3ccccc3c2n1CCOCCN
60955 OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3ccco3)C2=O)cc1O
60956 Fc1cc2ccc(cc2s1)N1CCN(C1=O)c1cnccc1C1CC1
60957 Fc1cc(cc2sccc12)N1CCN(C1=O)c1cnccc1C1CC1
60958 Brc1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCCCC4)=NN3C2=N)o1 |c:22,t:9|
60959 COC[C@H]1N(C[C@@H]2C[C@]12C(O)=O)c1cccc(n1)-c1cccc(C)c1OCc1cc(C)c2CN(CCc2c1)C1CCOC1 |r,@:33|
60960 N[C@@H](CCCNC(=N)NCC(F)(F)F)C(O)=O |r|
60961 COc1cc2CCN3Cc4c(C)cc(C)cc4CC3c2cc1OC
60962 CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
60963 COC(=O)c1ccc(NC(=O)C2N(CCc3cccc(C)c23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1
60964 CC(C)C1=CC(Oc2c(Cl)cc(NC(=O)C(O)=O)cc2Cl)=NNC1 |c:21,t:3|
60965 Cc1ccc(SSc2cc(C)ccc2N)c(N)c1
60966 CS(=O)(=O)c1ccc(N)c(SSc2cc(ccc2N)S(C)(=O)=O)c1
60967 Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@H](O)[C@@H]1O |r|
60968 Cc1ccc(cc1)S(=O)(=O)N[C@H]1[C@@H](O)CC[C@@H](O)[C@@H]1O |r|
60969 Cc1c(CCO)sc[n+]1C
60970 CCOc1ccc2N=CC(CS(N)(=O)=O)Sc2c1 |c:7|
60971 Oc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(F)c(F)c1
60972 NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C[C@H]1C#N |r|
60973 CC(C)NC[C@@H](O)COc1cccc2ccccc12
60974 O=C(Nc1cccc(c1)N1C(=O)C=CC1=O)c1cccs1 |c:13|
60975 CC(C)(CO)c1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
60976 NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CCS(=O)(=O)C[C@H]1C#N |r|
60977 C[C@@]1(CS(=O)(=O)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r|
60978 COc1ccc(cc1)-c1cc2c(n[nH]c2cc1Cl)C(O)=O
60979 O[C@H]1C[C@@H](C1)c1ccc(cc1)-c1cc2c(n[nH]c2cc1Cl)C(O)=O |r,wU:1.0,wD:3.5,(-7.29,3.62,;-5.95,2.85,;-4.47,3.25,;-4.07,1.77,;-5.55,1.37,;-2.73,1,;-1.4,1.77,;-.07,1,;-.07,-.54,;-1.4,-1.31,;-2.73,-.54,;1.27,-1.31,;2.6,-.54,;3.94,-1.31,;5.4,-.84,;6.31,-2.08,;5.4,-3.33,;3.94,-2.85,;2.6,-3.62,;1.27,-2.85,;-.07,-3.62,;5.8,.65,;4.71,1.74,;7.29,1.05,)|
60980 CC1=C2N=c3cc(O)ccc3=C2CCN1 |c:1,11,t:3|
60981 C\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1
60982 OC(=O)c1c[nH]c2cc(F)c(-c3ccc(cc3)[C@@H]3CCCO3)c(F)c12 |r|
60983 COc1cc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc(I)c1O
60984 OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)[C@@H]1CCCO1 |r|
60985 On1ccccc1=S
60986 Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
60987 CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccc4ccccc4c3C2(C)C)N(CCCCS([O-])(=O)=O)c2ccc3ccccc3c12 |c:11|
60988 OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1 |r|
60989 COc1cc(ccc1O)[C@@H]1Oc2cc(ccc2O[C@H]1CO)C1Oc2cc(O)cc(O)c2C(O)C1=O
60990 CC[Hg]Sc1ccccc1C([O-])=O
60991 Cn1c2-c3ccccc3C(=O)c2c2ccc(NC(=O)C(O)=O)cc2c1=O
60992 CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccc(O)cc12
60993 OCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
60994 CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|
60995 [O-][N+]#[C-]
60996 [#8]-[#6](=O)-[#6]-1=[#6]\[#6](-[#6]=[#6]-[#6]-1=O)=[#6](\c1ccc(-[#8])c(c1)-[#6](-[#8])=O)-c1ccc(-[#8])c(c1)-[#6](-[#8])=O |c:6,t:3|
60997 [H]C12CCC([H])(CC(O)(C1)c1ccc(OC)cc1)N2c1cc(C)nc(n1)-c1ccccc1 |TLB:8:7:18:2.3,THB:10:7:18:2.3|
60998 COc1ccccc1N1CCN(CC1)C(c1cccs1)c1nnnn1C1CCCC1
60999 CCC(Nc1ccc(OC)cc1OC)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:14.29|
61000 CC(=O)c1c(C)n(Cc2ccc3OCOc3c2)c(C)c1C(C)=O
61001 COCc1nc(no1)-c1cc(OC)c(OC)c(OC)c1
61002 COc1cc(ccc1NC(=O)c1cc2CCCc2s1)S(=O)(=O)N1CCOCC1
61003 Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C
61004 Cc1ccc(C)n1-n1cnc2sc(cc2c1=O)-c1ccccc1 |(3.79,-1.87,;4.11,-.37,;3.08,.78,;3.85,2.11,;5.36,1.79,;6.5,2.82,;5.52,.26,;6.85,-.51,;6.85,-2.05,;8.18,-2.82,;9.52,-2.05,;10.98,-2.52,;11.87,-1.28,;10.98,-.04,;9.52,-.51,;8.18,.26,;8.18,1.8,;13.41,-1.28,;14.18,.05,;15.72,.05,;16.49,-1.28,;15.72,-2.61,;14.18,-2.61,)|
61005 Clc1ccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)cc1Cl
61006 CCOC(=O)N1CCC(CC1)N(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1
61007 Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)NCc2ccco2)n1Cc1ccccc1
61008 COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)NCc1ccco1)C(F)(F)F
61009 C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 |c:9|
61010 Clc1ccccc1Cn1nnc2c(ncnc12)N1CCN(CC1)C(=O)c1ccco1
61011 COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
61012 [#6]-c1ccc(cc1)-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccccc1)=[#6]-1\[#16]-[#6]-[#6]-[#6]-[#16]-1
61013 Cc1c(cnc2cc3OCOc3cc12)C(=O)c1ccc(Cl)c(Cl)c1
61014 COCc1nnc(NC(=O)CCSc2ccccc2)s1
61015 COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
61016 COc1ccc(cc1OC)C(=O)NC(=S)NCc1ccc(cc1)-c1nc2ccccc2o1
61017 COc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12
61018 COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C |c:12,t:9|
61019 CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C12C#N |t:7|
61020 CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
61021 Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
61022 CCN(CC)S(=O)(=O)c1ccc2n(CC)c(CCC(=O)Nc3cccc(c3)C(F)(F)F)nc2c1
61023 COCCCNC(=S)NNC(=O)c1cccnc1
61024 OCCNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1
61025 CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
61026 COc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12
61027 O=C1N=c2ccccc2=C1NN=CC1=C(N2CCOCC2)C(CC1)=Cc1ccccc1 |w:11.12,24.28,c:9,15,t:2|
61028 CCOC(=O)c1sc2cc(cc(SCC(C)C)c2c1N)[N+]([O-])=O
61029 COc1ccc(cc1)C1C(C#N)C(=N)Oc2c1sc1nc(C)cc(C)c21
61030 COc1ccccc1-c1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1
61031 C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
61032 Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(nc3c2)-c2ccccc2)cc1
61033 COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1 |w:8.8|
61034 COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccccc4)n3c2c1
61035 Clc1ccc(cc1)-c1ccc(\C=C(\C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
61036 O=C(CSc1nc2ccccc2s1)N1c2ccccc2Sc2ccccc12
61037 FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
61038 CCOC(=O)c1nnc(nc1Oc1ccc(Cl)cc1Cl)-c1ccc(C)cc1
61039 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(o1)-c1ccsc1-[#6](=O)-[#8]-[#6])\[#6](=O)-[#8]-[#6]-[#6]
61040 COc1ccccc1\C=C\C(=O)c1ccc(Cl)cc1
61041 CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
61042 Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1
61043 Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1
61044 Cc1ccc(cc1NC(=S)NC(=O)c1ccccc1Br)-c1nc2ccccc2[nH]1
61045 COc1cc2c(cc1NC(=O)CSc1ccc(C)cc1)oc1ccccc21
61046 CCCCC(=O)Nc1sc2c(CCC(C=O)=C2Cl)c1C(=O)OCC |c:15|
61047 Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc23)nc2ccccc12
61048 Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccco1
61049 COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1
61050 O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccccc12
61051 CCc1noc(C)c1C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1Cl
61052 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)c1
61053 O=C(ON=C(c1ccccc1)c1ccccn1)c1cccc2ccccc12
61054 COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc21
61055 FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1
61056 Nc1c(sc2nc3ccc(OC(F)(F)F)cc3cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
61057 [O-][N+](=O)\C=C\c1cn(Cc2ccccc2C#N)c2ccccc12
61058 Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
61059 Clc1ccc(Cl)c(c1)-c1ccc(o1)C1NC(=O)C(C#N)C(=S)N1c1ccccc1
61060 Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1N1CCCC1 |w:10.11|
61061 COc1cc2c(cc1NC(=O)CSc1ccc(Cl)cc1)oc1ccccc21
61062 CCN(CC)c1ccc(C=NOCC(=O)Nc2cccc(C)c2)cc1
61063 Fc1ccc(cc1)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc2oc3CCCCc3c2c1
61064 [#6]-[#8]-c1ccc(\[#6]=[#6](\c2nc3ccccc3s2)-c2nc3ccccc3s2)cc1-[#8]
61065 COC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2CCCCc12
61066 [Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13
61067 CC(C)c1ccc(cc1)-c1csc2ncnc(Oc3cccc(NC(C)=O)c3)c12
61068 COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21
61069 O=C(\C=C/c1ccccc1OC(=O)c1ccccc1)c1cc2ccccc2o1
61070 CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1 |w:6.6,t:18|
61071 Cc1ccc(cc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12)S(=O)(=O)N1CCOCC1
61072 COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
61073 CN(C)S(=O)(=O)c1cc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)ccc1C
61074 CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
61075 [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1
61076 Cc1ccc(NS(=O)(=O)c2cc(ccc2N=NCc2sc(nc2-c2ccccc2)N2CCOCC2)[N+]([O-])=O)c(C)c1 |w:15.15|
61077 OC(=O)c1cccc(CSc2nnc([nH]2)-c2ccc(Cl)cc2Cl)c1
61078 COC1=CC(=Cc2c([nH]oc2=O)-c2ccccc2)C=C(Cl)C1=O |w:5.5,t:2,20|
61079 COc1ccccc1Cn1c(SCC(=O)C(C)(C)C)nc2cc(ccc2c1=O)C(=O)N1CCC2(CC1)OCCO2
61080 COc1ccc(cc1)-c1csc2nc(oc(=O)c12)-c1ccccc1OC
61081 COc1ccccc1CC(=O)Nc1ccc2C(=O)NC(=O)c2c1
61082 COc1ccc(F)cc1C(=O)C1CCCN(Cc2cccn2-c2ccccn2)C1
61083 COc1ccc(cc1)-c1n(CC(=O)OC2CC(C)CCC2C(C)C)c2ccccc2[n+]1C
61084 Fc1cccc(Cl)c1Cn1nnc2c(ncnc12)N1CCN(CC1)C=O
61085 Cc1occc1C(=O)Nc1ccc(OCc2ccccc2)cc1
61086 CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1 |w:7.6|
61087 CN(C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc(C)cc(C)c2s1
61088 CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
61089 CC(C)C1CCC(C)CC1OC(=O)Cn1c(-c2ccc(Cl)cc2)[n+](C)c2ccccc12
61090 Cc1ccc(C)c(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)N2CCN(CC2)c2ccccn2)c1
61091 CN1C(=CC(=O)COC(=O)c2ccco2)C(C)(C)c2ccccc12 |w:3.3|
61092 COc1ccccc1OCC(=O)C=C1N(C)c2ccccc2C1(C)C |w:12.12|
61093 COc1ccc(cc1)-c1cc(C(=O)Nc2cc(ccc2N2CCOCC2)S(=O)(=O)N2CCOCC2)c2ccccc2n1
61094 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
61095 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
61096 CC(C)CC1NC(=O)C23C1C(C)C(C)=CC2C=C(C)CCC(O)C(O)C=CC3=O |c:14|
61097 CC(C)C(OC(C)=O)c1nc2ccccc2c(=O)n1C1CC2(OC1=O)C1N(O)C(C)(C)C(=O)N1c1ccccc21
61098 CN1CCN(CC1)c1nc(Nc2ccccc2)nc(N)c1[N+]([O-])=O
61099 COc1ccccc1-n1cnc2cc(NCc3ccccc3O)ccc12
61100 Cc1nc(SCc2ccc(F)cc2)c2oc3ccccc3c2n1
61101 CC(C)c1cc(Nc2ccc(NC(C)=O)cc2)n2nc(C)c(-c3ccccc3)c2n1
61102 Clc1ccccc1-c1nc2ccccc2[nH]1
61103 O=C(Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCc2s1
61104 CN1C(=CC(=O)COC(=O)c2ccccc2O)C(C)(C)c2ccccc12 |w:3.3|
61105 CCOC(=O)N1CCc2c(C1)sc(NC(=S)N1CCCCC1)c2C(=O)OCC
61106 COc1ccc(cc1)C1\C=C/CN([C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1 |c:10|
61107 CC(C)C[C@@H](CSc1ccc(NC(C)=O)cc1)N1CCN(CCc2ccccc2)CCC1=O
61108 CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CC(C)C)CCC1=O
61109 CCN(CC)C(=O)CC(c1ccc2OCOc2c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
61110 CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CCc2ccccc2)CCC1=O
61111 COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
61112 CCN(CC)C(=O)CC(c1ccc(cc1)N(C)C)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
61113 COc1ccc(SC[C@H](CC(C)C)N2CCN(CCc3ccccc3)CCC2=O)cc1
61114 [#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6] |c:8,12|
61115 O=CC1=C(Oc2ccccc2O1)c1ccccc1 |t:2|
61116 NC(=S)NN=Cc1c[nH]c2ccc(OCc3ccccc3)cc12 |w:4.3|
61117 CC(C)(C)OC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cccc(c2)C(O)=O)C1=O
61118 COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9|
61119 Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)CCl
61120 CCCN(CCC)c1nc2c(C)cccn2c(=O)c1\C=C1\SC(=S)N(Cc2ccco2)C1=O
61121 CCN(CC)c1ccc2nc3c(cc(=O)c4ccccc34)oc2c1
61122 CC(C)C[C@@H](COc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O
61123 CC(C)C[C@@H](CSc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O
61124 CC(C)C[C@@H](CSc1ccccc1)N1CCN(CC(C)C)CCC1=O
61125 CCCOc1ccc(\C=C2\C(=O)ON=C2C)cc1Cl |c:13|
61126 Cc1ccc(C)c(c1)-c1ccc(=O)n(Cc2cccc(Br)c2)n1
61127 Brc1cccc(\C=C\C(=O)c2ccc3OCOc3c2)c1
61128 COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc(cs1)-c1ccc(CNC(C)=O)cc1 |t:9|
61129 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2=O
61130 CC(C)Oc1ccc(C=NNC(=O)c2nnn(c2CN2CCC(C)CC2)-c2nonc2N)cc1
61131 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c[nH]c2ccccc12 |w:22.23|
61132 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C\C(C)=C/c2ccccc2)CC1
61133 CSc1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccccc1
61134 CCc1ccc(Nc2n[n+](c(s2)-c2ccc(SC)cc2)-c2ccccc2)cc1
61135 CCc1ccc(Nc2n[n+](c(\C=C\c3ccccc3)s2)-c2ccccc2)cc1
61136 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccccc1
61137 COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NC2CC2)cc1OC
61138 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc2N(CCc2c1)S(C)(=O)=O
61139 OC(=O)c1ccc(cc1)-n1[nH]c(=C)c(=Cc2ccc(o2)-c2ccccc2F)c1=O |w:14.15|
61140 Fc1ccccc1CN1c2cc(ccc2S(=O)(=O)c2ccccc2C1=O)C(=O)N1CCCC1
61141 COc1cccc(Cn2cc(nn2)-c2cccc(c2)C(F)(F)F)c1
61142 O=C(N[C@@H]1CCN([C@H](CSc2ccccc2)Cc2ccccc2)C(=O)CC1)OCc1ccccc1
61143 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccco1
61144 CN(C1CCCCC1)C(=O)c1sc2ncnc(N3CCN(CC3)c3ccccc3)c2c1C
61145 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2c(C)cc(C)cc2C)CC1 |w:20.21|
61146 Cc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)NC(=O)OCc2ccccc2)cc1
61147 CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
61148 CCc1cccc(OCC(=O)Nc2cc(ccc2N2CCCC2)S(=O)(=O)N2CCOCC2)c1
61149 CCCc1ccc2oc(C(=O)N(CC3CCCO3)Cc3ccncc3)c(C)c2c1
61150 CC(C)Oc1ccc(cc1NC(=O)CCOc1ccccc1C)S(=O)(=O)N1CCOCC1
61151 C\C(C=NNC(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N)=C/c1ccccc1
61152 COc1ccccc1CNC(=O)c1oc2ccccc2c1C
61153 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1
61154 CN(C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc3OCOc3cc2s1
61155 CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCN(C)C)c1nc2c(F)cc(F)cc2s1
61156 Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCCc2ccccc12
61157 COc1cc(O)c(NC(C)=O)c2nonc12
61158 [H]C12OC(C=C1)(C(CC=C)Nc1ccccc1)C(C(=O)OC)=C2C(=O)OC |c:4,23,TLB:23:22:2:4.5,THB:18:17:2:4.5|
61159 Oc1c(C(c2ccccc2)c2c(O)c3ccccc3sc2=O)c(=O)sc2ccccc12
61160 CCCCCn1c(NC(=O)c2ccco2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
61161 CCCCn1c(NC(=O)c2ccc(Br)o2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
61162 Oc1ccc2oc(=O)c(cc2c1)-c1nn(cc1C=O)-c1ccccc1
61163 O=C(Nc1ccc2oc(nc2c1)-c1cccc2ccccc12)c1nnc[nH]1
61164 Clc1nc(Nc2ccccc2)sc1C=NNC(=O)COc1ccccc1-c1ccccc1 |w:14.16|
61165 COc1ccc(cc1)-n1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(cs1)-c1ccccc1
61166 COc1cc(cc(OC)c1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
61167 CC1=NC(Nc2nc3ccccc3o2)=NC(C1C(=O)Nc1ccccc1)c1ccc(C)cc1 |c:15,t:1|
61168 Clc1ccc(cc1NC(=S)NC(=O)C=Cc1ccco1)-c1nc2ccccc2s1 |w:13.13|
61169 Oc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1-c1nc2ccccc2s1 |w:11.10|
61170 Oc1ccccc1C(=O)N\N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccccc12
61171 Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccccc2)C1=O
61172 COc1ccc(OC)c(C=C2SC(NNC(=O)c3ccc4ccccc4c3)=NC2=O)c1 |w:9.8,c:28|
61173 Clc1ccc(cc1)C1OC11C(=O)c2ccccc2C1=O
61174 Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1cccc(O)c1
61175 Clc1ccc(OCCn2cccc2\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1
61176 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\n2c(COc3ccccc3)nc3ccccc3c2=O)c1
61177 Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)Nc1nc(cs1)-c1ccccc1
61178 CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(OC(C)C)cc1 |c:5,t:8|
61179 OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|
61180 COc1ccccc1C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
61181 Oc1c2C(N=C(C3C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(Cl)cc1Cl)c1ccccn1 |t:4,(14.45,.48,;12.91,.49,;12.01,1.73,;12.01,3.27,;10.55,3.74,;9.64,2.5,;8.1,2.5,;7.2,1.26,;7.68,-.21,;5.75,1.73,;4.41,.96,;3.08,1.73,;3.08,3.27,;4.41,4.04,;5.75,3.27,;7.2,3.74,;7.68,5.2,;10.55,1.25,;10.55,-.28,;9.31,-1.19,;12.01,-.75,;12.49,-2.22,;13.99,-2.54,;14.47,-4,;13.44,-5.14,;13.91,-6.61,;11.93,-4.82,;11.45,-3.36,;9.95,-3.04,;13.26,4.17,;14.67,3.55,;15.91,4.45,;15.75,5.98,;14.34,6.61,;13.1,5.7,)|
61182 Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)s1
61183 COc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12
61184 Oc1ccccc1C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
61185 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)ncn1 |w:19.18|
61186 COc1cc(C=c2c(=C)[nH]n(-c3ccc(cc3)S(N)(=O)=O)c2=O)ccc1OC(=O)c1ccco1 |w:5.4|
61187 OC(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)c1cccc(c1)[N+]([O-])=O
61188 Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O |t:8|
61189 Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc2oc(=O)ccc2c1
61190 Oc1c(Br)cc(Br)cc1C=NNC(=O)c1ccncc1 |w:10.11|
61191 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1ccc(cc1)C(O)=O)c1c(C)[nH][nH]c1=O
61192 Cc1cccc2C(=[NH+]Nc3ccc(cc3[N+]([O-])=O)S(=O)(=O)Nc3cccc(Cl)c3)C(=O)[N-]c12 |w:7.7|
61193 OC(=O)c1cc(cc(c1)-c1ccc(\C=C(\C#N)c2nc3ccccc3s2)o1)C(O)=O
61194 Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(Cl)c2C)nc1
61195 [O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
61196 COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnn(CC(=O)N2CCN(CC2)C(=O)c2ccco2)n1
61197 COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
61198 COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
61199 CCC=c1[nH]n(-c2ccccc2)c(=O)c1=Cc1ccc(OCc2ccc(cc2)C(O)=O)cc1 |w:2.1,15.17|
61200 COC(=O)c1cccc(c1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
61201 CCOc1cc(ccc1O)C1N(C(=O)c2oc3ccccc3c(=O)c12)c1nccs1
61202 COc1cc(ccc1O)C1N(C(=O)c2oc3ccccc3c(=O)c12)c1nccs1
61203 O=C1N=C(Nc2ccc3ccccc3c2)SC1=Cc1ccco1 |w:17.20,t:2|
61204 OC(=O)c1ccc(cc1)-n1[nH]c(=C)c(=Cc2ccc(OC(=O)c3cccs3)cc2)c1=O |w:14.15|
61205 COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
61206 Clc1cccc(c1)-c1n[nH]c(=S)n1N=Cc1ccc(o1)-c1ccccc1Br |w:13.14|
61207 C[C+]([N-]OCc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(C)cc([N+]([O-])=O)c1=O)c1ccccc1
61208 CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1
61209 CCCCn1c2nc(-c3ccc(o3)-c3ccc(F)cc3)n(C)c2c(=O)[nH]c1=O
61210 CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
61211 Cc1cc(\C=C2\C(=O)N=C3SC(=NN3C2=N)c2ccco2)c(C)n1Cc1ccccc1 |c:11,t:8|
61212 CCCCCCCn1c(NC(=O)CC)nc2ccccc12
61213 CN(C)c1cc(Cl)c2nonc2c1N
61214 OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
61215 Nc1cccc2c(cccc12)[As](O)(O)=O
61216 Cc1cccc(c1)-c1n[nH]c(=S)n1N=CC=Cc1ccco1 |w:13.14,15.16|
61217 [O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3ccccc3Cl)c2c1
61218 Oc1[nH]c2ccc(cc2c1C(=O)C(=O)Nc1ccc(F)cc1)[N+]([O-])=O
61219 Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1 |w:9.10|
61220 [O-][N+](=O)c1ccccc1[CH+]C=C[N-]n1c(n[nH]c1=S)-c1cc([nH]n1)-c1ccccc1 |w:11.12|
61221 Clc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)cc1Cl |w:6.6|
61222 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn3ccc4ccccc4c3n2)o1
61223 Cc1c(NC(=S)N[NH+]=C[c-]2cc(ccc2=O)[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C |w:7.6|
61224 [O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=S)Nc2ccc(Cl)cc2Cl)c1 |w:10.10|
61225 C[C+]([N-]OCc1nc2ccccc2c(=O)n1\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccccc1
61226 Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
61227 Clc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 |w:13.15|
61228 OC1(NC(=O)Cc2ccccc2Cl)C(=O)c2ccccc2C1=O
61229 CCC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccccc1C(O)=O)c2C#N
61230 Clc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1ccncc1)-c1ccccc1 |w:13.15|
61231 NC(=O)CC(NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCC(Br)CC2)c(c1)[N+]([O-])=O
61232 COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
61233 NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|
61234 CCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
61235 COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc(Br)c1OCC=C |w:5.4,c:16|
61236 COc1cc(C=NNC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1
61237 [O-]c1ccc(cc1)\N=c1\c(cc([N+]([O-])=O)c2[nH]o[nH+]c12)[N+]([O-])=O
61238 O=C1NC(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1 |(20.38,2.19,;18.87,1.87,;17.84,3.02,;16.34,2.7,;15.31,3.85,;15.86,1.24,;14.35,.92,;13.87,-.54,;14.77,-1.78,;13.87,-3.02,;12.42,-2.55,;11.08,-3.32,;9.75,-2.55,;9.75,-1.01,;8.41,-.24,;7.08,-1.01,;5.75,-.24,;5.75,1.3,;4.41,2.07,;3.08,1.3,;3.08,-.24,;4.41,-1.01,;11.08,-.24,;12.42,-1.01,;16.89,.09,;16.41,-1.37,;18.39,.41,)|
61239 CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Cl)cc12
61240 OC(=O)CSc1nc(cc(-c2ccc(Cl)cc2)c1C#N)-c1cccs1
61241 Cc1c(OCc2ccc(F)cc2Cl)ccc2c(C)c(CC(O)=O)c(=O)oc12
61242 Cc1ccc(cc1)C(=O)Nc1nnc(CC(=O)NN=Cc2ccc(O)c(O)c2)s1 |w:18.18|
61243 COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
61244 CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cc(nc3ccccc23)-c2cc(OC)c(OC)c(OC)c2)c1
61245 COc1cccc(\C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)c1
61246 COc1ccc2[nH]c3c([nH]c(=S)n(CCCC(=O)NC4CCC(C)CC4)c3=O)c2c1 |(3.08,-.77,;4.59,-1.08,;5.61,.06,;5.12,1.59,;6.2,2.77,;7.76,2.42,;9.01,3.32,;10.26,2.42,;9.78,.95,;10.83,-.26,;12.41,.06,;13.43,-1.08,;12.9,1.59,;14.41,1.92,;15.44,.77,;16.95,1.1,;17.98,-.04,;17.51,-1.51,;19.49,.29,;20.52,-.85,;22.03,-.53,;23.06,-1.67,;22.59,-3.14,;23.63,-4.28,;21.09,-3.46,;20.05,-2.32,;11.82,2.77,;12.28,4.24,;8.24,.95,;7.19,-.26,)|
61247 Clc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
61248 CCN(CC)c1ccc(NC(=O)CSc2nc(nc3ccccc23)C2CC2)cc1C
61249 Cc1ccc(NC(=O)Cn2nc(ccc2=O)C(=O)Nc2ccc(C)cc2)cc1
61250 Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccco2)c1=N
61251 Cc1ccc(cc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O
61252 CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O
61253 Cc1ccc(NC(=O)COc2ccc(\C=C3\NC(=O)NC3=O)cc2)cc1
61254 CCc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
61255 COc1ccc(NC(=O)CN2C(=O)S\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1
61256 CCc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
61257 CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)ccc12
61258 Nc1ncnc2n(cnc12)C1OC(COP(O)([O-])=O)C(O)C1O
61259 CCOc1ccc(\C=C2\SC(=S)N(CCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
61260 COc1ccc(C)c2sc(NC(=O)c3cccc(c3)-n3c(O)ccc3O)nc12
61261 CC1C=C(C)CC2C1C(=O)N(CCC[N+](C)(C)C)C2=O |t:2|
61262 COc1ccccc1\N=C1/SCCCN1C
61263 CC(C)C(OC(=O)c1ccco1)C(=O)NCc1ccco1
61264 CCOc1ccccc1\N=C1/SCCCN1C
61265 CCOC(=O)c1ccc2[n+](CC)c(C)n(CCO)c2c1
61266 CCCCCn1ccc(=N)cc1
61267 C[n+]1cnn2CC3(COC3)CSc12
61268 C[n+]1ccc(cc1)-c1ccncc1
61269 CCN1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OCc1ccccc1
61270 CN1CCn2cnc3ccccc3[c+]12
61271 Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1
61272 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)S(=O)OCC[N+]1(C)CCOCC1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
61273 CCC(N(C)C)c1nnc(SCCNCCO)n1CCN1CCOCC1
61274 O=C(CN1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1)NC(=O)NCc1ccco1
61275 O=C(NCc1ccco1)C1c2ccccc2Oc2ccccc12
61276 Clc1ccc(CNC2=CC(=O)CC(C2)c2ccco2)cc1 |t:7|
61277 CC(C)OC(=O)C1C(NC(=O)N=C1C)c1ccco1 |c:11|
61278 Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc(NC(=O)c2ccccc2F)c1
61279 CCn1c(C)[n+](CC(O)COCC2CCC=CC2)c2ccccc12 |c:15|
61280 COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)cc1
61281 CCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1
61282 Oc1ccc(C=NNP(=S)(c2ccccc2)c2ccccc2)c(O)c1O |w:6.6|
61283 Cc1ccc(OCC(=O)NN=C\C=C\c2ccco2)cc1
61284 Cn1c2ccc(\C=C(\C#N)c3ccc(F)cc3)cc2n(C)c1=O
61285 COc1ccc(CN=Nc2nc(O)c(CC(O)=O)s2)cc1OCc1ccc(Cl)cc1Cl |w:8.8|
61286 CCn1c(SCC(=O)NN=C\C=C/c2ccco2)nc2ccccc12
61287 FC(F)(F)c1cc(=O)oc2cc(OC(=O)C(Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12
61288 CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)\C=C\c2ccco2)ccc1C
61289 Cc1ccccc1SCC(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
61290 COC(=O)c1c(NC(=O)\C=C\c2ccco2)sc2CCCc12
61291 CC1=C(C(NC(=O)N1CCCCCC(O)=O)c1ccccc1)C(=O)OCc1ccccc1 |t:1|
61292 Cc1cc2cc(CNC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2n1C
61293 COc1cc(ccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
61294 C[N+]1(CC2COC3(CCCCC3)O2)CCCCC1
61295 COc1cccc(CNC(=O)CSc2ccc(nn2)-c2ccco2)c1
61296 C[N+]12CCCCC1[C@@H](CO)CCC2
61297 [H]C12CCC([H])(CC(C1)OC(=O)c1ccco1)[N+]2(C)C
61298 Cc1nc2ccc(NC(=O)C3COc4ccccc4O3)cc2s1
61299 COc1ccccc1N(CCC#N)C(=O)COC(=O)c1cccn1C
61300 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NN=Cc1ccc[n+](C)c1)(C2)C3 |w:15.15,TLB:8:1:25:6.9.5,8:6:25:1.24.2,THB:5:6:24:3.25.2|
61301 C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(c1)[N+]([O-])=O
61302 Oc1ccccc1C=N[n+]1ccccc1 |w:8.9|
61303 Clc1ccc(cc1)C(=O)CCC(=O)OCC(=O)NCc1ccco1
61304 OC(=O)c1ccc(cc1)N=NCc1cc2OCOc2cc1[N+]([O-])=O |w:9.9|
61305 COc1cc(OC)c2C(=O)CC(Oc2c1O)c1ccccc1
61306 COc1cc(C)cc(C(O)=O)c1C1C(=O)C(=O)c2c(O)cccc2C1=O
61307 COc1cc(\C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc(cn1)[N+]([O-])=O
61308 CCCCn1c2CCCc2c(=N)c2ccccc12
61309 CCCCCn1c2CCCc2c(=N)c2ccccc12
61310 CCCn1c2CCCc2c(=N)c2CCCc12
61311 CC(C)(C#CCCCCC#CC(C)(C)[N+](C)(C)C)[N+](C)(C)C
61312 COc1ccc2=NC(=O)C(NNC(=O)Cc3cccs3)=c2c1 |c:20,t:5|
61313 COC(=O)CCCCCCCCC(O)C[N+]1(C)CCOCC1
61314 Cn1ccccc1=Nc1cccc[n+]1C
61315 CC[N+](C)(CC)CCCC(N=O)C(O)(c1ccccc1)c1ccccc1
61316 CC(C)[N+](C)(C)CC#CC(O)(c1ccccc1)c1ccccc1
61317 CC1CC(C)=CC(C)C1CN(CCC[N+](C)(C)C)C(=O)Nc1ccccc1 |c:4|
61318 CN(CC(=O)NC(=O)NCc1ccco1)CC(=O)Nc1ccccc1Cl
61319 Cc1cc(Br)ccc1SCC(=O)OCC(=O)NCc1ccco1
61320 CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:18.18|
61321 CCN(CC)C(=O)CC(c1ccc2OCOc2c1)c1c(OC)cc(OC)c2ccc(=O)oc12
61322 COc1ccc(cc1)C(CC(=O)N1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
61323 CCCC[n+]1ccn(c1)-c1nc2c(cccc2n1C)[N+]([O-])=O
61324 CCn1c2cc(Br)c(NC(=O)C(C)c3ccccc3)cc2n(CC)c1=O
61325 Oc1ccc(cc1NC(=O)c1cccc(c1)C(=O)Nc1cc(ccc1O)[N+]([O-])=O)[N+]([O-])=O
61326 Oc1ccc(C=NNC(=O)C(=O)NN=Cc2ccc(O)cc2O)c(O)c1 |w:6.6,13.12|
61328 O=C(Nc1ccc2ncccc2c1)c1ccccc1
61329 Clc1ccc(cc1)C(=O)Nc1cccc2ncccc12
61330 Clc1ccccc1C(=O)Nc1cccc2ncccc12
61331 C[N+]1(CC(O)c2ccccc2)CCCCCC1
61332 COc1ccccc1NC(=O)c1cc[n+](C)cc1
61333 CC(C)Oc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
61334 Cc1ccccc1\C=C\c1cccc[n+]1C
61335 CC(Oc1ccc(C)cc1C)C(=O)Nc1ccc2n(C)c(=O)n(C)c2c1
61336 Cc1cccc(c1)C(=O)Nc1ccc(cc1C)S(=O)(=O)N1CCOCC1
61337 C[n+]1ccccc1\C=C\c1ccc(F)c(F)c1
61338 [O-]S(=O)(=O)CCC[n+]1ccc(Oc2ccccc2)cc1
61339 C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
61340 CCOC(=O)COc1ccc(Br)cc1C=C1SC(N)=NC1=O |w:14.14,c:19|
61341 CN1\C(Sc2ccccc12)=C\c1cccc[n+]1CCO
61342 CN(C)CCNc1c2CCCc2nc2ccccc12
61343 COc1cccc2cc(oc12)-c1cc(=O)oc2ccc(O)cc12
61344 C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1
61345 CCc1cc2c(occ(-c3nc4ccccc4n3C)c2=O)c(CN2CCCCC2C)c1O
61346 CCn1nc(NC(C)=O)c2cc3cccc(C)c3nc12
61347 [I-].[H][C@]12C[C@]34C(O)C1[C@@]1([H])CC([H])([C@]3([H])N(C)c3ccccc43)[N+]2(CCCC)[C@H](O)[C@H]1CC |TLB:24:23:4.13.3:7.8.10,31:30:2.7:11.10,3:2:11.10:28.30,5:7:11.10:28.30,28:23:4.13.3:7.8.10,THB:29:28:2.7:11.10,13:11:2.7:28.30|
61348 COc1ccc(\C=C2\N(C)C(=O)CNC2=O)cc1
61349 Clc1ccc(cc1)C(=O)C[n+]1ccccc1
61350 C[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c1ccccc1
61351 CC(=O)OC(C[N+]1(C)CCCCCC1)c1ccccc1
61352 CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(C)c2c1
61353 CC1=C\C(C=C(Br)C1=O)=C(\c1cc(C)c(O)c(Br)c1)c1ccccc1S([O-])(=O)=O |t:1,4|
61354 Cc1ccc[n+](CC(=O)c2ccccc2)c1
61355 CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(CC)c2c1
61356 CC(C)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
61357 C(C[n+]1ccccc1)C[n+]1ccccc1
61358 Oc1ccc(C=NN(c2ccccc2)c2ccccc2)c(O)c1O |w:6.6|
61359 COc1cccc(NC(=O)c2ccc[n+](C)c2)c1
61360 Cc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)c(C)c1
61361 CCN1C(C)=C([C@@H](N=C1NCC(C)C)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
61362 CCN1C(C)=C([C@@H](N=C1NCCOC)c1cccc(F)c1)C(=O)OC |c:4,7|
61363 CCN(CC)CCCN=C1N[C@H](C(C(=O)OC)=C(C)N1CC)c1ccccc1 |w:8.7,t:16|
61364 CCN1[C@H](C)[C@H]([C@@H](N=C1NCc1cc(OC)c(OC)c(OC)c1)c1ccccc1)C(=O)OC |c:7|
61365 CCN1C(C)=C([C@@H](N=C1NCC=C)c1ccccc1)C(=O)OC |c:4,7|
61366 CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCCOC)C(=O)OC |c:16|
61367 CCN1C(C)=C([C@@H](NC1=NCC(C)C)c1cccc(F)c1)C(=O)OC |w:9.10,c:4|
61368 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCCCO)=N[C@H]1CCc1ccccc1 |c:4,22|
61369 CCN1C(C)=C([C@@H](N=C1NCCc1ccccn1)c1cccc(F)c1)C(=O)OC |c:4,7|
61370 COCCN1C(NCCCOC(C)C)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:13,20|
61371 Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3ccccc3OCc3cccc(c3)C(O)=O)C2=O)cc1
61372 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)NCc1ccco1
61373 Fc1ccc(cc1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc(Br)cc1
61374 CC(=O)c1cccc(NC(=O)CCc2nnc3ccc(NCc4ccco4)nn23)c1
61375 CN(c1ccccc1C)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
61376 COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2ccccc2[N+]([O-])=O)c(OC)c1
61377 COc1cc(\C=C\c2cccc[n+]2C)ccc1OCC(=O)Nc1ccccc1C
61378 CCOc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
61379 O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCC1CCCO1
61380 CCc1ccc(NS(=O)(=O)c2ccc(C)c(c2)C(=O)N2CCOCC2)cc1
61381 CCN1C(NCCc2cccnc2)=N[C@H](C(C(=O)OC)=C1C)c1ccccc1 |c:13,20|
61382 CCN1C(C)=C([C@@H](N=C1NCC=C)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
61383 COC(=O)c1c(Sc2ccccc2)c2ccccc2n1C
61384 CC(C)c1ccc(OC(=O)c2cccc(c2)S(=O)(=O)N2CCN(C)CC2)cc1
61385 CCN(CC)C(=O)c1ccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N2CCN(CC)CC2)cc1
61386 CC(C)C[C@H](NC(=O)C1CN(C(=O)C1)c1ccc2OCOc2c1)C(=O)NCc1ccco1
61387 CCn1c(SCC(=O)NCc2ccccc2)nnc1C(CO)NC(=O)c1ccccc1
61388 Oc1ccccc1N1CCN(CC1)C(=O)CNC(=O)c1ccc2OCOc2c1
61389 Cc1ccc(o1)C(=O)OCC(=O)NC1CCCCC1
61390 CN(Cc1cccc(Cl)c1)C(=O)C1CSC2(C)CCC(=O)N12
61391 CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCN(CC)CC1
61392 COc1ccc(N\C(C)=[N+](/C)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1Cl
61393 COc1ccc(OC)c(NC(=O)CSc2ccc(nn2)-c2ccco2)c1
61394 CC(=O)Nc1cccc(NC(=O)CSc2ccc(nn2)-c2ccco2)c1
61395 CC(C)(C)n1nnnc1C(N(Cc1ccccc1)Cc1cccnc1)c1cccs1
61396 O=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1
61397 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N
61398 CCN1C\C(=C/c2cccs2)C2=C(C1)C(C(C#N)C(=N)O2)c1cccs1 |c:12|
61399 O=C(N1CCN(CC1)c1nc(nc2sc3CCCCc3c12)C1CC1)c1ccco1
61400 CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1
61401 CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
61402 C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
61403 Cc1[nH]nc(c1Oc1ccccc1)-c1ccc(O)cc1O
61404 NC(=O)c1cc(nc(n1)N1CCOCC1)-c1ccccc1
61405 Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(O)cc1O
61406 COc1ccc(CCN2C(c3c(n[nH]c3C2=O)-c2ccccc2O)c2cccc(O)c2)cc1OC
61407 COc1ccc(CCN2C(c3c(n[nH]c3C2=O)-c2ccccc2O)c2ccc(C)cc2)cc1OC
61408 CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(O)cc3)c3cc(C)cc1c23 |t:1|
61409 Nc1c(c(O)cn1CCCN1CCOCC1)-c1nc(cs1)-c1ccc(F)cc1
61410 CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2COc3ccccc3O2)nc1
61411 COc1ccc(NC(=O)CN2CCN(CC2)C2c3ccccc3-c3ccccc23)c(OC)c1
61412 [H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1ccc(O)c(OC)c1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
61413 CCN(C(=O)CCc1nc(no1)-c1ccc(C)cc1)c1ccccc1CC
61414 CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1
61415 COC(=O)C1=CN(C=C(C1c1cc2OCOc2cc1Br)C(=O)OC)C(C)C |c:7,t:4|
61416 CCn1c(Cn2nnc(n2)-c2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1
61417 Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1
61418 C(c1nnc(o1)-c1ccccc1)c1ccccc1
61419 COc1ccc(cc1)N(CC(=O)Nc1nc2ccc(C)cc2s1)S(=O)(=O)c1c(C)nn(C)c1C
61420 N#Cc1c(N=CN2CCCC2)oc(c1-c1ccccc1)-c1ccccc1
61421 CC(C)(C)n1nnnc1C(N(Cc1cccnc1)Cc1ccccc1Cl)c1cccs1
61422 Clc1ccccc1CN(Cc1ccco1)Cc1nnnn1C1CCCC1
61423 Cc1ccc(CNCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)cc1
61424 COc1ccc(CNCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)cc1
61425 CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNCc3ccc4OCOc4c3)cc12
61426 O=c1n2c(nc3ccccc13)-c1ccccc1CC21CCCCC1
61427 Cc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1
61428 CC12CNCC(C)(CN(C1)C(c1ccccc1)c1ccccc1)C2
61429 CC1CC(N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1
61430 Cc1cc(O)ccc1C1(OC(=O)c2ccccc12)c1ccc(O)cc1C
61431 Clc1ncnc2scc(C3COc4ccccc4O3)c12
61432 [H]C12CC3([H])CC(C1)(CC([H])(C2)CC3)c1csc(N)n1 |TLB:12:9:7:3.5.2,THB:2:1:8:3.5.13.12,2:3:8:1.7.11,11:1:5:9.8.13.12,11:9:5:1.7.2,13:3:7:9.8.11|
61433 CC1CC(N(C(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1
61434 CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(F)cc3)c3cc(C)cc1c23 |t:1|
61435 COC(=O)C1=C(N)c2ccccc2C1(C#N)c1ccccc1 |c:4|
61436 COC(=O)C1=C(N)c2c(cccc2F)C1(C#N)c1ccccc1 |c:4|
61437 COC(=O)C1=C(N)c2c(cccc2F)C1(C#N)c1ccc(F)cc1 |c:4|
61438 CCOC(=O)c1c(oc2ccc(O)c(CN3CCN(C)CC3)c12)-c1ccccc1
61439 C(Cc1ccccc1)Nc1ncnc2scc(C3COc4ccccc4O3)c12
61440 CCCSc1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(C)OC(C)C1
61441 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cccc(Cl)c1 |t:1|
61442 CN(C)c1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1C#N
61443 Cc1nn(c(OC(=O)c2cccs2)c1Sc1ccccc1)C(C)(C)C
61444 O=C(NCCSCc1ccccc1)c1ccc(cc1)C1SCC(=O)N1Cc1ccccc1
61445 Clc1ccc(cc1)-c1noc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)n1
61446 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1nc2ccc(Cl)cc2s1
61447 CCOC(=O)C(=Cc1cccnc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
61448 COc1cc(OC)c(cc1Cl)-n1c(C)cc(C=O)c1C |(5.75,-5.98,;7.08,-5.21,;7.08,-3.67,;5.75,-2.9,;5.75,-1.36,;4.41,-.59,;3.08,-1.36,;7.08,-.59,;8.41,-1.36,;8.41,-2.9,;9.75,-3.67,;7.08,.95,;5.84,1.86,;4.37,1.38,;6.31,3.32,;7.85,3.32,;8.76,4.57,;8.13,5.98,;8.33,1.86,;9.79,1.38,)|
61449 CCCCCn1c(nc2ccccc12)C(Cc1ccccc1)NC(C)=O
61450 Cc1[nH]nc(c1Oc1ccccc1)-c1ccc(O)c(C)c1O
61451 Cc1[nH]c2c(Br)cccc2c1[C@H]1[C@@H](CC#N)C1(C)C
61452 C=CCN1C(=S)NC(=O)C(=CNc2ccc(Cc3ccncc3)cc2)C1=O |w:10.10|
61453 CCOC(=O)c1c(oc2ccc(O)cc12)C(C)(C)C
61454 O=C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1
61455 O=C(Nc1ccccc1N1CCCCC1)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
61456 CCOC(=O)c1c(N)sc(c1-c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F
61457 CC(C)N(C(C)C)C(=O)CSc1nc2ccccc2n1-c1ccccc1
61458 CCOC(=O)c1c(N)sc(c1-c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F
61459 Cc1ccccc1N(C(=O)c1cccs1)c1nc2ccccc2s1
61460 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nc(c([nH]1)-c1ccc(C)cc1)-c1ccc(C)cc1
61461 CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCC#C
61462 Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C(N)=O)c1C
61463 CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)cc1
61464 CC(C)(CNC(=O)c1ccc(c(Cl)c1)[N+]([O-])=O)CNC(=O)c1ccc(c(Cl)c1)[N+]([O-])=O
61465 CC(C)(C)c1ccc(CN2c3ccccc3C(=NCC2=O)c2ccccc2)cc1 |c:17|
61466 CCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1
61467 CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1-c1ccccc1
61468 CCS(=O)(=O)c1ccc(-c2csc(n2)-c2ccc(Cl)cc2)c(Cl)c1Cl
61469 CSc1nnc(-c2sccc2OCc2ccccc2)n1C
61470 Nc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1
61471 COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1
61472 COC(=O)c1ccccc1NC(=S)NC(NC(=O)c1ccco1)C(Cl)(Cl)Cl
61473 Cc1cc(C=C2SC(Nc3ccccc3)=NC2=O)c(C)n1-c1ccc(cc1)S(N)(=O)=O |w:4.3,c:15|
61474 CCOC(=O)c1cnc2n(C)nc(C)c2c1Oc1ccc(Cl)cc1
61475 Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(N)=O)c1C
61476 CC(N(C)C)c1ccccc1C(O)(c1ccccc1)c1ccc(C)cc1C
61477 CC(=O)Oc1ccc2ccccc2c1C(NC(=O)Cc1ccccc1)c1ccccc1
61478 CCCCC1(Cc2ccc(OC)c(c2)[N+]([O-])=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
61479 CCCCC1(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
61480 O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1ccncc1
61481 CC(C)CC(=O)NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl
61482 [O-][N+](=O)c1c(NC(c2ccccc2)c2ccccc2)c2ccccc2oc1=O
61483 COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(F)cc1
61484 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc([nH]n1)C(=O)NN=Cc1ccc(O)c(OC)c1 |w:21.24,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
61485 Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)no1
61486 Clc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)c(Cl)c1
61487 CN(c1ccc(cc1)C(=O)NCCSCc1ccccc1C)S(=O)(=O)c1ccccc1
61488 CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
61489 O=C(NC(=S)Nc1ccccc1N1CCOCC1)C=Cc1ccco1 |w:18.19|
61490 [O-][N+](=O)c1cc(ccc1Oc1ccccc1C(=O)Nc1ccccc1Cl)C(F)(F)F
61491 Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1
61492 CCC(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
61493 CCCCNS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
61494 CCc1ccccc1\N=C1/S\C(=C\c2ccccc2OCC(=O)N2CCOCC2)C(=O)N1C
61495 Cc1cc(Nc2ccccc2)nc(NCc2ccccc2)n1
61496 Clc1ccc2oc3c(Cl)ncnc3c2c1
61497 Fc1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1
61498 COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccccc3)cc2)nc(OC)n1
61499 COc1ccc(cc1)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(OC)nc(OC)n2)n1
61500 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc([nH]n1)C(=O)NN=Cc1ccc(OC)c(OC)c1 |w:21.24,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
61501 Cc1cc(Cl)ccc1NC(=S)N(CCCN1CCOCC1)Cc1cccs1
61502 CCOC(=O)C(C)(C)N(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O
61503 NNC(=O)COc1ccc(-c2n[nH]c(c2-c2ccc(Br)cc2)C(F)(F)F)c(O)c1
61504 COc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(OCC(=O)NN)cc1O
61505 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1 |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
61506 Cc1ccc(\C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)o1
61507 CCCSc1ccc(cc1)-c1nn(cc1\C=C(\C#N)C(=O)N1CCOCC1)-c1ccccc1
61508 COc1ccc(CNCCC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1
61509 [#6]-[#7](-[#6]-[#6](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12)S(=O)(=O)c1ccc(Br)cc1
61510 CCOC(=O)c1c(C)c(C)sc1NC(=O)C1C(NC(=S)N=C1C)c1ccc(C)cc1 |c:21|
61511 CC(NC(=O)C(=C\c1ccc(Cl)c(c1)[N+]([O-])=O)\C#N)c1ccccc1
61512 Clc1cccc(c1)C1C(C#N)c2nc(=N)c3ccccc3n2C2=C1C(=O)CCC2 |c:25|
61513 CC(C)c1cc(Cl)c(C)cc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |t:28|
61514 Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1c(C)cccc1C |w:12.13,18.20,(9.64,-4.2,;8.1,-4.2,;7.2,-5.44,;5.75,-4.97,;4.41,-5.74,;3.08,-4.97,;3.08,-3.43,;4.41,-2.66,;5.75,-3.43,;7.2,-2.96,;7.68,-1.5,;6.65,-.35,;9.19,-1.18,;10.22,-2.33,;11.25,-3.47,;9.67,.28,;8.77,1.53,;9.67,2.77,;9.2,4.24,;7.69,4.56,;6.66,3.42,;5.16,3.74,;4.68,5.21,;5.71,6.35,;7.22,6.03,;11.14,2.29,;12.38,3.2,;11.13,.75,;12.61,.33,;12.98,-1.17,;11.87,-2.23,;14.46,-1.59,;15.57,-.53,;15.2,.97,;13.72,1.4,;13.35,2.89,)|
61515 COc1cc(\C=C(/C#N)C(=O)NCC=C)ccc1OS(=O)(=O)c1ccc(C)cc1
61516 CC(C)c1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1
61517 CCOC(=O)c1c(C)c(C)sc1NC(=O)C1C(NC(=S)N=C1C)c1ccc(CC)cc1 |c:21|
61518 COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCCN2CCOCC2)ccc1N1CCOCC1
61519 CCOC(=O)C1C(c2ccc(Br)o2)C(C(=O)OCC)=C(C)N=C1C |c:22,t:19|
61520 [H]C12CCC([H])(N1C)\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1 |TLB:19:18:6:3.2,THB:9:8:6:3.2|
61521 CC(C)C\N=C(\NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl
61522 Fc1ccc(cc1)-c1ccc(\C=C2\SC(=NC2=O)N2CCOCC2)o1 |c:15|
61523 ClC(C(=O)Nc1ccccc1Cl)C(=O)c1ccccc1
61524 [O-][N+](=O)c1ccc(Oc2cccc(c2)C(=O)N2CCCCC2)c(Cl)c1
61525 CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)\C=C\c3ccccc3Cl)cc2)s1
61526 [H]C12CC3([H])CC([H])(C1)CC(CCOCC(O)CNC(C)c1ccccc1)(C2)C3 |TLB:5:3:27:6.9.8,THB:2:3:9:1.27.8,5:6:27:3.28.2|
61527 Clc1ccccc1CSCc1n[nH]c(=S)n1C1CCCCC1
61528 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3cccnc3)cc2)c1C
61529 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NC(=S)NCc1ccco1)(C2)C3 |TLB:5:3:24:6.9.8,THB:2:3:9:1.24.8,2:1:9:3.25.5|
61530 CCN1C(=O)C(c2ccccc12)(c1ccc(O)cc1)c1ccc(O)cc1
61531 CN1C(=O)C(c2cc(C)ccc12)(c1ccc(O)cc1)c1ccc(O)cc1
61532 CCc1nc(C)cn1S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O
61533 OC(=O)c1cc(NS(=O)(=O)c2ccc(NC3CCCCC3)c(c2)[N+]([O-])=O)cc(c1)C(O)=O
61534 Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
61535 CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccco3)c21
61536 CC(C)(C)C(=O)C(Cl)C(=O)Nc1ccccc1
61537 S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCCN1CCOCC1)Cc1ccccn1
61538 CCCCOc1ccccc1NC(=O)c1scc2OCCOc12
61539 Clc1ccc(nc1)N1C(SCC1=O)c1ccccc1Br
61540 CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
61541 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2Cl)cn1 |w:11.11|
61542 COc1ccc(CN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1
61543 [H]C12CCC([H])(C1)C(C2)NC(=S)N(Cc1c(C)noc1C)c1ccccc1 |TLB:9:7:6:3.2|
61544 O=C(COC(=O)c1ccc(NC(=O)CC#N)cc1)Nc1ccccc1Sc1ccccc1
61545 Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)sc[n+]1CC#N
61546 O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccncc1
61547 CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C
61548 CC(C)(C)c1cc(CCc2n[nH]c(=S)n2CC=C)cc(c1O)C(C)(C)C
61549 Nc1ccc(N2CCCCC2)c(c1)S(=O)(=O)Nc1ccccc1Cl
61550 CC(C)(C)c1cc(C=NOCC(O)=O)cc(c1O)C(C)(C)C |w:8.8|
61551 OC(=O)C(=Cc1c[nH]nc1-c1ccccc1Br)C#N |w:4.4|
61552 OC(=O)C(=Cc1c[nH]nc1-c1cccc(Br)c1)C#N |w:4.4|
61553 CCSc1n[nH]c2nc3-c4ccccc4CC4(CCCCC4)c3c(=O)n12
61554 CCOC(=O)c1c(CSC(N)=N)n(-c2ccccc2)c2cc(Br)c(OC(C)=O)cc12
61555 COc1ccc(cc1OC)C1c2ccc(O)cc2Oc2ncn3nc(nc3c12)-c1cccnc1
61556 COc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(O)cc1O
61557 CCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
61558 [O-][N+](=O)c1ccccc1\C=C(/C#N)C(=O)NCc1ccccc1
61559 CN1Cc2c(CC1(C)C)c1c(N)c(sc1nc2N1CCOCC1)C(=O)c1ccc(Br)cc1
61560 COc1ccc(cc1)C1c2ccc(O)cc2Oc2ncn(CC(C)C)c(=N)c12
61561 COc1ccc(cc1)C1c2ccc(O)cc2Oc2ncn(Cc3ccco3)c(=N)c12
61562 CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:6.6|
61563 CC(C)COc1ccc(C)cc1CN(CCCl)CCCl
61564 CCCOc1ccc(C)cc1CN(CCCl)CCCl
61565 Oc1ccc2C(c3ccccc3)c3c(Oc2c1)ncn(Cc1ccco1)c3=N
61566 Oc1ccc(CN=Nc2nc(nc3ccccc23)-c2ccccc2F)c(O)c1 |w:7.7|
61567 CN1C(=CC(=O)CSc2ccccc2C(O)=O)C(C)(C)c2ccccc12 |w:3.3|
61568 COc1ccc(OC)c(c1)N1C(=O)NC(=O)C(=Cc2c(C)[nH]c3ccccc23)C1=O |w:17.18|
61569 C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C
61570 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OC)c(c1)C(=O)NCCN(C)C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
61571 COc1ccc(-c2nn(cc2\C=C2\SC(=S)N(CCC(O)=O)C2=O)-c2ccccc2)c(C)c1
61572 Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1cccs1 |c:10|
61573 C=CCN(CC#C)C(=O)c1ccc2nc(oc2c1)C1CCCCC1
61574 Cc1cc(N)n2nc(c(-c3ccccc3)c2n1)-c1ccccc1
61575 CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1
61576 CC(C)(C)C1=CC(O)(C=C(C1=O)C(C)(C)C)c1ccccc1 |c:8,t:4|
61577 CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O
61578 ClC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1
61579 OC(CNCCc1ccc(cc1)C(F)(F)F)COC(c1ccccc1)c1ccccc1
61580 OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
61581 Fc1ccc(cc1)C(=O)NC(=S)NC1CCN(Cc2ccccc2)CC1
61582 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)Nc1ccc(cc1)C(=O)NC)(C2)C3 |TLB:8:1:26:6.9.5,8:6:26:1.25.2,THB:5:6:25:3.26.2|
61583 CCc1ccc(NS(=O)(=O)c2cc3n(C)c(=O)c(=O)n(C)c3cc2C)cc1
61584 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 |c:4,31|
61585 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccccc1 |c:4,26|
61586 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1 |c:4,25|
61587 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(F)c1 |c:4,27|
61588 CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1
61589 COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)c(C)c1C
61590 COc1cc(Br)c(cc1OC)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
61591 COc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2cc(Br)ccc2oc1=O
61592 Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
61593 COc1ccc(C)cc1Nc1n[n+](c(s1)-c1ccc(cc1)N(C)C)-c1ccccc1
61594 Cc1cccn2c1nc1n(C3CCCC3)c(=N)c(cc1c2=O)C(=O)NCc1ccco1
61595 Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NCc1ccco1
61596 Cc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
61597 CCc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
61598 Brc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1
61599 CN(C(=O)c1cc(cn1C)S(=O)(=O)N1CCc2ccccc12)c1ccc(C)cc1
61600 COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1
61601 OC(=O)c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)c1
61602 COc1ccc2nc3oc(cc3cc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
61603 Cc1ccccc1N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
61604 N#C\C(=C\c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
61605 CN(C)\C=C\C(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
61606 CC1(C)Cc2c(ccc3ccccc23)C(CC(=O)N2CCCCC2)=N1 |c:26|
61607 CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1ccsc1 |c:4|
61608 CN(C)c1ccc(\C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc1
61609 Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1
61610 CC1(CC(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1
61611 [O-][N+](=O)c1cc(ccc1N1CCCCC1)C(=O)Nc1nc2ccccc2s1
61612 COc1ccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1
61613 COc1cc(\C=C(\C)[N+]([O-])=O)ccc1OCc1ccccc1Cl
61614 [H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
61615 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccco1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
61616 Clc1ccccc1Cn1ncc(Cl)c(Cl)c1=O
61617 CN(C)CCCNC(=O)C(\NC(=O)c1ccccc1)=C/c1ccc(o1)-c1ccc(Br)cc1
61618 CCOC(=O)c1c(NC(=O)C(=C\c2ccc(O)c(OC)c2)\C#N)scc1-c1ccccc1
61619 FC(F)(F)c1ccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
61620 CC(C(=O)Nc1ccc(cc1)C(C)=O)n1nc(-c2ccccc2)c2cc(Cl)ccc12
61621 COCCN1C(=S)S\C(=C/c2ccc(cc2)N2CCCC2)C1=O
61622 NC(=O)C(=C\c1ccc(o1)N1CCCCC1)\C#N
61623 [#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](\C#N)C#N |t:9,11|
61624 CN1\C(Sc2ccccc12)=C\c1cc(C)[n+](CC2CCCO2)c(C)c1
61625 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccnc2Cl)c(NC(=O)c2cccnc2Cl)c1
61626 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
61627 COc1ccc(C=CC(=O)NCC(=O)NN=Cc2ccc(O)cc2O)cc1 |w:15.14,6.5|
61628 OC(=O)CSc1nnc(CCCCCCCCC=C)[nH]1
61629 OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)\C=C\c2ccco2)c1
61630 CCCCn1c(O)c(C(=O)C=Cc2c[nH]c3ccccc23)c(=O)[nH]c1=O |w:11.11|
61631 CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC |w:5.4|
61632 COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F |w:10.11|
61633 CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
61634 Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C
61635 Cc1[nH]c2ccc(C)cc2c1\C=C\c1cc[n+](C)cc1
61636 OC(=O)COc1ccc(\C=C\C(=O)c2ccc(cc2)C2CCCCC2)cc1
61637 Nc1[nH]c2cc(ccc2c1-c1ccccn1)[N+]([O-])=O
61638 CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
61639 CCN(CC)CCCNc1ccc(cn1)-c1nnc(o1)-c1ccc(OCC(C)C)cc1
61640 COc1ccc2nc(C)cc(NCc3ccc(F)cc3)c2c1
61641 CCN(CC)c1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
61642 Cc1c(sc2nc(C)nc(N3CCCCC3)c12)C(=O)Nc1ccc2OCCOc2c1
61643 CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
61644 CN(C)c1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1
61645 OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1
61646 OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
61647 CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
61648 OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C/C=C/c3ccccc3)C2=O)cc1
61649 OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\C=C\c3ccccc3)C2=O)cc1
61650 OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1
61651 CC(C)(C)c1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
61652 OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
61653 OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1
61654 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC
61655 COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1
61656 OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1
61657 Cc1ccc(cc1)N(CC(O)COCc1ccco1)S(=O)(=O)c1ccc(C)cc1
61658 CN(C)c1nc(-c2ccccc2)n(C)[s+]1
61659 COc1ccc(OC)c(c1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1 |c:21|
61660 Fc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(F)c1 |c:11|
61661 Cc1nc2cc(C)ccn2c1-c1csc(NCc2ccco2)n1
61662 CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12
61663 Cc1c(Cc2ccccc2)sc(NC(=O)c2ccco2)c1C(N)=O
61664 Clc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:8|
61665 Cc1ccc(NN2C(=O)C=C(C2=O)c2ccc(Cl)cc2)cc1 |c:9|
61666 Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
61667 CNC(=O)C1C(C(C#N)C(=N)NC1=S)c1ccccc1
61668 COc1ccccc1OCCOc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1OC |w:16.16|
61669 CC(=O)Nc1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1
61670 COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1
61671 CCOc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
61672 COc1ccc2cc3c(N)nn(C(=O)c4cccc(c4)[N+]([O-])=O)c3nc2c1
61673 [#6]-[#7]-1-[#6](=S)-[#7](-[#6])-[#6](=O)\[#6](=[#6]/[#6]-[#6]=[#7]-c2ccccc2)-[#6]-1=O |w:12.12|
61674 CC(C)NC(=O)COC(=O)\C=C\c1ccco1
61675 CN1CCN(CC1)NS(=O)(=O)c1cccs1
61676 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccncc1NC(=O)c1cccc(c1)[N+]([O-])=O
61677 CCOC(=O)c1cc(sc1NC(=O)COC(=O)c1cccc(c1)S(N)(=O)=O)-c1ccccc1
61678 NC(=O)C1C([C-](C#N)C(N)=[NH+]C1=S)c1ccc(cc1)[N+]([O-])=O |c:9|
61679 NS(=O)(=O)c1ccc(CCNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)cc1
61680 COc1cccc2cc(C(=O)Nc3ccc(cc3)S(=O)(=O)NCC3CCCO3)c(=O)oc12
61681 Cc1cc(C)nc(NC(=S)Nc2ccc(Br)cc2Cl)c1
61682 CC1=C(N2C(SC1)C(NC(=O)CCCC(O)=O)C2=O)C(O)=O |t:1|
61683 NC(=O)C1C(C(C#N)C(=N)NC1=S)c1ccc(Cl)cc1Cl
61684 Cc1cc(C)nc(NC(=S)Nc2cccc(Cl)c2Cl)c1
61685 Cc1cccc(NC(=S)NC2CCCC2)n1
61686 Cc1cccc(NC(=S)NC2CCCCC2)n1
61687 Cc1c(oc2cc(C)c(Cl)cc12)C(=O)Nc1ccc(cc1)S(N)(=O)=O
61688 COCCNC(=S)Nc1ncccc1C
61689 Cc1cccnc1NC(=S)Nc1ccc(F)cc1F
61690 Oc1cc(O)cc(c1)C(=O)NN=Cc1coc2ccccc2c1=O
61691 O=C1NC(=O)\C(=C/c2cnn(c2)-c2ccccc2)C(=O)N1Cc1ccccc1
61692 COc1ccc(NC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)cc1OC
61693 Cc1cccc(NC(=S)NCc2ccco2)n1
61694 Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Br)c(C)c1)c2=O
61695 Cc1c(Cl)c(nn1C)C(=O)NC1C2SCC(C)=C(N2C1=O)C(O)=O |c:17|
61696 CCC(=O)Nc1ccc(Nc2nc(Cl)nc(Nc3ccc(NC(=O)CC)cc3)n2)cc1
61697 COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1
61698 CC(C)OC(=O)c1sc2nc(C)c(C)c(C)c2c1N
61699 [O-][N+](=O)c1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O
61700 COc1ccc(\C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc1
61701 NNc1cc(cc2c1c(=O)n(Cc1ccccc1)s2=O)[N+]([O-])=O
61702 COc1ccc2cc(cnc2c1)N=Cc1nc(oc1O)-c1ccc(C)cc1 |w:12.13|
61703 Fc1ccc(NC(=O)C2=CC(=O)N3CCN=C3S2)cc1 |c:15,t:8|
61704 O=c1[nH]c(nc2n(-c3ccccc3)c(=S)sc12)-c1ccc2OCOc2c1
61705 Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NN=Cc1ccncc1
61706 CC(=O)NC1=NC(=O)C(S1)=Cc1cn(nc1-c1ccccc1)C(C)=O |w:10.11,t:4|
61707 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2ccc(-[#16]-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)o2)-[#6](=O)-[#7]-1
61708 CC1=C(N2[C@H](SC1)[C@H](NC(=O)CCCC(O)=O)C2=O)C(O)=O |t:1|
61709 Oc1ccc(O)n1-c1ccc(cc1)C(=O)Nc1nc2cc3OCCOc3cc2s1
61710 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccncc2)ccc1N1CCCC1
61711 OC(=O)Cc1sc(Nc2ccc(F)cc2)nc1-c1cccs1
61712 OC(=O)Cc1sc(Nc2ccc(Cl)cc2)nc1-c1cccs1
61713 Clc1ccc(cn1)C(=O)NCc1ccco1
61714 Nc1c(c(O)cn1NC(=O)c1ccc(O)cc1)-c1nc(cs1)-c1ccc(Cl)cc1
61715 Clc1ccc(cc1)[C@H]1C(C#N)C(=S)[N-]C(=O)[C@@H]1[n+]1ccccc1
61716 C=CCOc1ccc(\C=C2/SC(=S)N(N3CCOCC3)C2=O)cc1
61717 CNC(=S)N=C(Nc1ccc(C)cc1)c1ccccc1 |w:4.3|
61718 COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)cc1
61719 CCOC(=O)c1cc(nn1-c1ccccc1C(O)=O)-c1ccc(cc1)N1CCOCC1
61720 COC(=O)c1ccc(COc2ccc(CN=Nc3nc(C)cc(=O)[nH]3)cc2)cc1 |w:16.16|
61721 Clc1ccc(Cn2cc(C=NNC(=O)CC#N)c3ccccc23)cc1Cl
61722 COc1ccc(cc1)C(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:21|
61723 CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17|
61724 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)C2(C)CC2)C(N)=O)C1 |t:13|
61725 Cc1cccn2c1nc(Nc1ccccc1F)c(CN=O)c2=O
61726 [O-][N+](=O)c1ccc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3OCOc3c2)cc1 |w:8.8|
61727 Clc1ccccc1Nc1s[nH]c(=O)c1C#N
61728 O=C(Nc1nc2ccsc2c(=O)s1)c1ccco1
61729 CCOC(=O)c1nnn2c1nc(Nc1cccc(c1)C(F)(F)F)c1ccccc21
61730 CCNC(=S)NC(NCc1cccnc1)=Nc1nc(C)cc(C)n1 |w:15.16|
61731 Cc1cc(=O)oc2cc(NC(=O)c3cccc(Br)c3)ccc12
61732 CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(cc1)C(O)=O
61733 CC(C)n1cc(CN=Nc2ccc(Cl)c(c2)C(O)=O)c2ccccc12 |w:7.6|
61734 COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:15.16|
61735 COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1cc2ccccc2o1
61736 COc1cc(NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1cc2ccccc2o1
61737 COc1cc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2O)ccc1O |w:6.6,(7.08,6.64,;5.75,5.87,;5.75,4.33,;7.08,3.56,;7.08,2.02,;8.41,1.25,;8.41,-.29,;9.75,-1.06,;11.08,-.29,;12.42,-1.06,;13.79,-.24,;15.19,-1.03,;15.19,-2.63,;13.79,-3.43,;12.42,-2.6,;11.08,-3.37,;11.08,-4.91,;9.75,-2.6,;8.41,-3.37,;7.08,-2.6,;5.75,-3.37,;5.75,-4.91,;7.08,-5.68,;8.41,-4.91,;9.75,-5.68,;5.75,1.25,;4.41,2.02,;4.41,3.56,;3.08,4.33,)|
61738 CC1=C(N2C(SC1)C(NC(=O)c1ccccc1Cl)C2=O)C(O)=O |t:1|
61739 CC(=O)Nc1ccc(NC(=O)c2cc(n[nH]2)-c2ccc(C)c(C)c2O)cc1
61740 COc1cc2CCn3c(cc(Nc4ccc(cc4)C(O)=O)nc3=O)-c2cc1OC
61741 Clc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1 |w:8.9|
61742 COc1ccc(C=CC(=O)NC(=S)Nc2ccc(cc2)S(=O)(=O)NC(N)=N)cc1OC |w:6.5|
61743 COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)c1cc2ccccc2o1
61744 OCCNC(=O)c1cc(nc2ccccc12)-c1cc(C(=O)NCCO)c2ccccc2n1
61745 CCOC(=O)c1cc(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1ccc(F)cc1
61746 COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1
61747 CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1cccs1 |w:3.3|
61748 CC(=O)Oc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
61749 COC(=O)c1ccccc1NC(=O)c1cc(on1)-c1ccco1
61750 Brc1cccc(\C=C2\Oc3ccccc3N(CC(=O)NCC3CCCO3)C2=O)c1
61751 COc1ccc(Cl)cc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1N
61752 CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C\c2cccc(OC)c2)C1=O
61753 CC(Nc1nc(cs1)-c1ccc(C)cc1)c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C)cc1
61754 Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1
61755 COc1ccc(cc1)-c1cc2n(cnn(CC(=O)Nc3ccc(cc3)C(C)=O)c2=O)n1
61756 CC(C)c1ccc(\C=C2/SC(=O)N(CC(=O)NC3CCS(=O)(=O)C3)C2=O)cc1
61757 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1
61758 COc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(CCC(O)=O)C3=O)c3ccccc23)cc1
61759 CC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
61760 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2cccn2C)cc1
61761 Cc1cc(ccc1-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1)C(O)=O
61762 Clc1ccc(\C=C2/SC(=S)N(CCC(=O)NC3CS(=O)(=O)C=C3)C2=O)cc1 |c:21|
61763 Clc1ccccc1\C=C1/SC(=S)N(CCC(=O)NC2CCS(=O)(=O)C2)C1=O
61764 Fc1ccccc1\C=C1/SC(=S)N(CCC(=O)NC2CS(=O)(=O)C=C2)C1=O |c:24|
61765 NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(OCCN3CCOCC3)cc2)\C#N)cc1
61766 Clc1ccccc1\C=C1/SC(=S)N(CCC(=O)NC2CS(=O)(=O)C=C2)C1=O |c:24|
61767 CCN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)S\C(=C/C=C/c2ccccc2)C1=O
61768 C=Cc1ccc(cc1)C(=O)N1CCCC(CCC(=O)N2CCN(CC2)c2ccccn2)C1
61769 COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
61770 COC(=O)c1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
61771 CC(=O)Oc1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)cc1
61772 OC(=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2/SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)o1
61773 CC(OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
61774 Cc1c(C)c(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)Nc3cccnc3)c12
61775 [#7]S(=O)(=O)c1ccc(cc1)-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)o1
61776 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1
61777 COCCn1c(SCC(=O)Nc2ccc(cc2)C(N)=O)nc2c3ccccc3[nH]c2c1=O
61778 CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc(cc1)N(CC)CC
61779 CN(C)Cc1c(O)ccc2oc(Cc3ccccc3)cc12
61780 Oc1ccccc1Cn1c(nc2ccccc12)-c1ccccc1O
61781 Oc1cccc(c1)-c1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
61782 CCC(C)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1
61783 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(Cl)cc1Cl
61784 CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3cccc(Cl)c3)=c2c1 |c:33,t:6|
61785 COc1ccccc1Oc1ccc(cc1[N+]([O-])=O)-c1cnc2ccccc2n1
61786 CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccccc1F)c1ccc(O)cc1
61787 Cc1ccccc1OCC(O)CN1CCN(CC(O)COc2ccccc2C)CC1
61788 Cn1cc(c(n1)C(=O)Nc1ccc(cc1)C1CCCCC1)[N+]([O-])=O
61789 CC1CC(C)CN(CCCNC(=O)c2cc3c(n2C)c2ccccc2[nH]c3=O)C1
61790 CC(C)C1CCC(C)CC1OCC(O)CNC(C)c1ccccc1
61791 OC(CNC1Cc2ccccc2C1)COc1ccc(Cl)cc1
61793 CCCc1cc(-c2n[nH]cc2-c2ccc(o2)C(=O)OCC)c(O)cc1O
61794 CCSc1nnc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)s1
61795 Cc1ccc(cc1)N1CCN(CC(O)COc2ccccc2CC=C)CC1
61796 CN(Cc1ccccc1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
61797 CCN(CC)S(=O)(=O)c1ccc2ncc(C(=O)NCCC3=CCCCC3)c(O)c2c1 |t:20|
61798 COc1ccc(NC(=O)c2c(OC)cccc2OC)c(OC)c1
61799 Fc1c(F)c(F)c(C(=O)Nc2ccccc2Cl)c(F)c1F
61800 CCN(CC)CC(O)Cn1c2ccccc2c2ccccc12
61801 COc1ccc(NC(=S)NC(NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
61802 COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1
61803 OC(CC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F
61804 O=C(Nc1sc2CCCCc2c1-c1nc2ccccc2[nH]1)C1CC1
61805 Cc1cccc(C)c1OCC(O)CNC(C)(C)C
61806 COc1ccc(Cn2cnc3c(NS(C)(=O)=O)c(C)c(C)cc23)cc1
61807 Cc1cc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2cc1C |t:9|
61808 Oc1c2CC=CCc2c(O)n1-c1ccc(NCCc2ccc(O)cc2)c(c1)[N+]([O-])=O |c:4|
61809 Fc1ccc(Nc2c(nc3ccccn23)-c2ccco2)cc1
61810 FC(F)S(=O)(=O)c1cccc(NC(=S)N2CCN(CC2)c2cccc(Cl)c2)c1
61811 CCc1cc[n+](cc1)[C-](C(=S)Nc1cccc(C)c1)C(=O)c1ccc(C)c(c1)[N+]([O-])=O
61812 CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
61813 Fc1ccccc1NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1
61814 COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1
61815 [O-][N+](=O)c1ccc(cc1)N1CCC2(CC1)OCC1O[N-][C+](C1CO2)C(=O)N\N=C\c1ccc(Cl)cc1
61816 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3nnc(s3)C3CC3)c2c1
61817 [O-][N+](=O)c1cc(C=NNC(=O)c2cc(n[nH]2)-c2ccc3CCc4cccc2c34)ccc1Cl |w:7.7|
61818 Cc1c([nH]c2ccc(cc12)[N+]([O-])=O)C(O)=O
61819 COCCCNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N1CCc2ccccc12
61820 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1
61821 CC1CCN(CC(O)COc2ccccc2C)CC1
61822 [O-][N+](=O)c1cccc2c(ccnc12)N1CCOCC1
61823 CC(SC(=S)N1CCCC1)C(O)=O
61824 Cc1nc(O)c(N=Nc2ccccc2C(O)=O)n1-c1ccccc1 |w:6.5|
61825 Cc1cccc2c(N)c3CCCCc3nc12
61826 CC(Nc1ccccc1)c1cccnc1
61827 NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1
61828 [O-][N+](=O)c1cnc(NC(=O)COc2ccc(Cl)cc2)s1
61829 COc1ccc(cc1OC)-n1nnnc1SCC(=O)NCCc1ccccc1
61830 Cc1ccc(cc1)C(=O)n1nc(-n2cccc2)c2c(C)cc(C)nc12
61831 NNc1snc(Cl)c1C#N
61832 CN(C)c1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
61833 O=C(\C=C\c1cn(nc1-c1cccnc1)-c1ccccc1)N1CCCC1
61834 OC1(CS\C(=N/c2cccnc2)N1Cc1ccco1)c1ccc(OC(F)F)cc1
61835 Fc1ccc2SCCC(=NNc3ccccn3)c2c1 |w:9.9|
61836 FC(F)Oc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
61837 CCCOc1ccc(CN=Nc2ccc(cc2)C(O)=O)c(OCCC)c1 |w:9.8|
61838 CCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(cc3)N3CCOCC3)ccc12
61839 COc1cc(cc(O)c1O)C(=S)N1CCN(CC1)c1ccccc1Cl
61840 COc1ccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
61841 COC(=O)C(=C\c1cn(C(C)=O)c2ccccc12)\[N+]([O-])=O
61842 Cc1sc2nc(SCc3ccc(cc3)C(O)=O)n(Cc3ccco3)c(=O)c2c1C
61843 OC(=O)c1ccc(OCc2cn3ccccc3n2)cc1
61844 C(Sc1nc2ncncc2[nH]1)c1ccccc1
61845 Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O
61846 CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccc3cn[nH]c3c2)s1
61847 [O-][N+](=O)c1ccc(nc1)N1CCC(CC1)C(=O)c1ccc(F)cc1F
61848 Nc1sc(cc1-c1n[nH]c(=S)n1C1CCCCC1)-c1ccccc1
61849 CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
61850 Clc1cccc(c1)-n1nc(cc1C(=O)N1CCCCC1)-c1ccco1
61851 COc1cc(NC(=O)c2noc3CCCc23)c(OC)cc1Cl
61852 O=C(Cn1cnc2sc(cc2c1=O)-c1ccccc1)NCc1ccco1
61853 Cc1ccc(o1)-c1cc(C(=O)Nc2ccc(C)cn2)c2ccccc2n1
61854 Nc1ccc(cc1)C(=O)NN=Cc1cc(ccc1O)N=Nc1cccc2ccccc12 |w:20.22,10.10|
61855 [#8]-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccco1)=[#6]-1/[#16]-[#6]-[#6]-[#16]-1
61856 [H]C12CCC(C)(C(=O)N(NC(=O)c3ccccc3O)C1=O)C2(C)C |TLB:7:6:21:3.2,THB:20:19:21:3.2|
61857 Oc1c(cc(CN2CCCC2)c2cccnc12)[N+]([O-])=O
61858 OC(=O)c1ccc(C=NNC(=O)CNc2cccc3ccccc23)cc1
61859 Oc1c(CC=C)cccc1C=NNC(=O)CNc1cccc2ccccc12 |w:11.12|
61860 O=C(Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1)c1ccccc1
61861 CNc1ccccc(C(=O)\C=C\c2ccccc2OC)c1=O
61862 Clc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NN=Cc2ccncc2)cc1
61863 CCc1sc(cc1[N+]([O-])=O)C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
61864 COc1cccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)c1O |w:8.8|
61865 Cc1ccc(\[NH+]=C\c2c[c-](Cc3ccccc3Cl)cc([N+]([O-])=O)c2=O)c(O)c1
61866 Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
61867 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)c(O)c2o1
61868 Cc1cc[n+](cc1)-c1[n-]c(=O)sc1\C=N\NC(=O)CCn1c2ccccc2c2ccccc12
61869 Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2o1
61870 O=Cc1cccc(OC(=O)\C=C\c2ccco2)c1
61871 Cc1ccc(cc1C)-c1csc2ncn(CC#N)c(=O)c12
61872 Clc1cccc(c1)C1Nc2cccc3cccc(N1)c23
61873 CCOC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2cc(ccc12)C(F)(F)F
61874 COc1ccc(Cl)cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
61875 C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C1CC1c1ccccc1
61876 [O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
61877 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nncs3)sc12
61878 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccc(Br)cc4s3)sc12
61879 OC(=O)CN1C(=S)S\C(=C\c2cc(ccc2OCc2ccccc2Cl)[N+]([O-])=O)C1=O
61880 Cc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(O)=O
61881 CCN(C1CCS(=O)(=O)C1)C(=O)C(C)N1C(=S)S\C(=C/c2ccco2)C1=O
61882 CC(=NNC(=O)c1cc(O)ccc1O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 |w:2.2|
61883 Oc1cc(O)cc(c1)C(=O)NN=Cc1ccoc1
61884 Oc1ccc(O)c(c1)S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)c1cc(O)ccc1O
61885 Brc1ccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1
61886 Fc1ccccc1C(=O)NNC(=O)c1cccc(c1)-n1cccc1
61887 CC1(CCS(=O)(=O)C1)NC(=O)CCc1nc2sc3CCCCc3c2c(=O)[nH]1
61888 Cc1cccc(NC(=O)CNC(=O)c2cccc(c2)-n2cccc2)c1C
61889 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1cccc(c1)-n1cccc1
61890 CCCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(CCC)c(=O)[nH]c1=O
61891 Clc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
61892 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nc4ccccc4s3)sc12
61893 COc1ccc(cc1OC)C(=O)OCC(=O)Nc1ncc(s1)[N+]([O-])=O
61894 CCOc1ccc(NC(=O)c2cccc(c2)-n2cccc2)cc1S(=O)(=O)N1CCOCC1
61895 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1COc2ccccc2O1
61896 Oc1ccc(cc1O)-c1cc(=O)c2ccc3ccccc3c2o1
61897 CCC(=O)Nc1ccc(cc1)C(=O)COC(=O)c1nc2nccc(C)n2n1
61898 COc1cccc(C(=O)OCC(=O)Nc2sc3CCCc3c2C(N)=O)c1O
61899 Cc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
61900 OC(=O)C(=C/c1ccc(Cl)c(c1)[N+]([O-])=O)\c1ccc(s1)S(=O)(=O)N1CCCC1
61901 Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(n1)[N+]([O-])=O
61902 Fc1ccc2c(c1)sn(CC(=O)Nc1ccccc1)c2=O
61903 Clc1ccccc1-n1sc2ccccc2c1=O
61904 Clc1ccc(cc1)-n1c(=O)c2ccccc2s1=O
61905 Fc1cccc(c1)-n1sc2ccccc2c1=O
61906 Fc1cccc(c1)-n1c(=O)c2ccccc2s1=O
61907 Fc1ccccc1-n1sc2ccccc2c1=O
61908 Cn1sc2ccccc2c1=O
61909 O=c1n(oc2ccccc12)-c1ccccc1
61910 Fc1ccc2c(c1)sn(-c1ccccc1)c2=O
61911 O=c1s[nH]c2ccccc12
61912 Cn1sc(=O)c2ccccc12
61913 Fc1ccc2c(c1)sn(Cc1ccccc1)c2=O
61914 Cc1ccc(c(C)c1)-n1sc2cc(F)ccc2c1=O
61915 COc1ccccc1-n1sc2ccccc2c1=O
61916 COc1ccc(cc1)-n1sc2ccccc2c1=O
61917 [O-][N+](=O)c1ccc2sn(-c3ccccc3)c(=O)c2c1
61918 Cc1ccccc1N1Cc2ccccc2C1=O
61919 Fc1ccc(S)c(c1)C(=O)Nc1ccccc1
61920 Fc1ccc2sn(-c3ccccc3Cl)c(=O)c2c1
61921 COc1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1
61922 Clc1ccc(c(Cl)c1)-n1sc2ccccc2c1=O
61923 CC(=O)Nc1ccc2sn(-c3ccccc3)c(=O)c2c1
61924 FC(F)(F)c1ccc2sn(-c3ccccc3)c(=O)c2c1
61925 O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1
61926 Fc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61927 COc1ccc2sn(-c3ccccc3)c(=O)c2c1
61928 Brc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61929 Ic1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61930 O=c1n(sc2cc(ccc12)C#N)-c1ccccc1
61931 CC(=O)Nc1ccc2c(c1)sn(-c1ccccc1)c2=O
61932 Cc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61933 COc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
61934 FC(F)(F)c1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
61935 Ic1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
61936 Clc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61937 O=c1n(sc2ccc(cc12)C#N)-c1ccccc1
61938 Cn1n(-c2ccccc2)c(=O)c2ccccc12
61939 Fc1cc2sn(-c3ccccc3)c(=O)c2cc1F
61940 COc1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61941 O=C(Cn1sc2ccccc2c1=O)Nc1ccc(cc1)C#N
61942 Cc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61943 O=C(Cn1sc2ccccc2c1=O)NCc1ccccc1
61944 CCOC(=O)Cn1sc2ccccc2c1=O
61945 O=C(NCc1ccccc1)n1sc2ccccc2c1=O
61946 O=C(Nc1ccccc1)n1sc2ccccc2c1=O
61947 Brc1ccc2c(c1)sn(-c1ccccc1)c2=O
61948 FC(F)(F)c1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61949 Brc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
61950 Fc1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
61951 O=C(c1ccccc1)n1sc2ccccc2c1=O
61952 CN(C)c1ccc(NC(=O)Cn2sc3ccccc3c2=O)cc1
61953 O=C(Cn1sc2ccccc2c1=O)NC1CCCCC1
61954 O=C(Cn1sc2ccccc2c1=O)N1CCCCC1
61955 O=C(Cn1sc2ccccc2c1=O)N1CCOCC1
61956 Brc1csn(-c2ccc(Br)cc2)c1=O
61957 O=C(CCn1sc2ccccc2c1=O)Nc1ccccc1
61958 COc1ccc2c(c1)sn(-c1ccccc1)c2=O
61959 O=c1n(sc2ccc(cc12)N1CCOCC1)-c1ccccc1
61960 Brc1ccc2c(c1)c(=O)n(-c1ccccc1)s2=O
61961 FC(F)(F)c1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61962 CN(C)c1cccc(NC(=O)Cn2sc3ccccc3c2=O)c1
61963 CN(Cc1ccccc1)C(=O)Cn1sc2ccccc2c1=O
61964 CC(C(=O)Nc1ccccc1)n1sc2ccccc2c1=O
61965 Fc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61966 Clc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61967 COc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61968 O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1C#N
61969 Brc1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61970 Ic1ccccc1NC(=O)Cn1sc2ccccc2c1=O
61971 Brc1ccc2sn(-c3ccccc3)c(=O)c2c1
61972 Brc1cccc2sn(-c3ccccc3)c(=O)c12
61973 Brc1cccc2C(=O)N(CSc12)c1ccccc1
61974 COc1ccc(cc1)C(=O)Nc1cc(OC)ccc1C(O)=O
61975 COc1ccc(NC(=O)Nc2ccccc2C(O)=O)cc1
61976 CCOC(=O)c1ccncc1NC(=O)c1ccc(OC)cc1
61977 COC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)cc1
61978 COc1ccc(NC(=O)c2ccccc2C(O)=O)cc1
61979 COc1ccc(cc1)C(=O)Nc1cccc(Cl)c1
61980 COc1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
61981 COc1ccc(cc1)C(=O)Nc1ccc(Cl)cc1C(O)=O
61982 COc1ccc(cc1)C(=O)Nc1cnccc1C(O)=O
61983 COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn[nH]1
61984 COc1ccc(cc1)C(=O)NC(CC([O-])=O)c1ccccc1
61985 CCOc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
61986 COc1ccc(cc1OC)C(=O)Nc1cc(Cl)ccc1C(O)=O
61987 COc1ccc(cc1)-c1cc2ccccc2[nH]1
61988 COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1S(N)(=O)=O
61989 COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OC)cc1
61990 COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1[N+]([O-])=O
61991 COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C#N
61992 COC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1OC
61993 COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1
61994 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1
61995 COc1ccccc1C(=O)Nc1cc(Cl)ccc1C(O)=O
61996 COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)cc1
61997 CCc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(=O)OC
61998 COc1ccc(cc1)C(=O)Nc1cc(F)ccc1C(O)=O
61999 OC(=O)c1ccccc1NC(=O)c1ccccc1C(O)=O
62000 COc1ccc(cc1)S(=O)(=O)Nc1cc(Cl)ccc1C(O)=O
62001 CCc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62002 COc1ccc(Nc2cc(Cl)ccc2C(O)=O)cc1
62003 COc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(Cl)cc1
62004 COc1ccc(cc1)C(=O)NC(CC(O)=O)c1cccc(Cl)c1
62005 OB1OCc2cc(ccc12)C(F)(F)F
62006 OB1OCc2ccc(Oc3ccc(cc3)C#N)cc12
62007 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1
62008 COc1ccc(cc1)C(=O)Nc1cc(ccc1C(O)=O)C(F)(F)F
62009 COc1ccc(cc1)C(=O)N(C)c1cc(Cl)ccc1C(O)=O
62010 COc1ccc(cc1)C(=O)Nc1cc(ccc1C(O)=O)-c1ccccc1
62011 COc1ccc(cc1)C(=O)NC(C(O)=O)c1ccccc1
62012 COc1ccc(NC(=O)c2ccc(Cl)cc2C(O)=O)cc1
62013 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccsc1
62014 COc1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(O)=O
62015 COc1ccc(cc1)C(=O)Nc1cc(ccc1Cl)C(O)=O
62016 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccncc1
62017 CC(=O)Nc1cc(Cl)ccc1C(O)=O
62018 COc1ccc2C(=O)N(Cc2c1)c1cc(Cl)ccc1C(O)=O
62019 OC(=O)c1ccc(Cl)cc1NC(=O)N1CCOCC1
62020 OC(=O)c1ccc(Cl)cc1NC(=O)c1cocn1
62021 COc1ccc(cc1)C(=O)Nc1cc(F)cc(F)c1O
62022 COc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1-c1nnn[nH]1
62023 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
62024 COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(O)=O)cc1
62025 COc1cccc(CC(=O)Nc2cc(Cl)ccc2C(O)=O)c1
62026 COc1ccc(cc1)C(=O)Nc1cc(C)ccc1C(O)=O
62027 COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cl)cc2)c1
62028 CN(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62029 CC(C)(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62030 CC(C)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62031 CCc1ccc(cc1)C(=O)Nc1cc(Br)ccc1C(O)=O
62032 Cc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62033 CCCCCCCC(=O)Nc1cc(Cl)ccc1C(O)=O
62034 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1
62035 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2OCOc2c1
62036 COc1cc(cc(OC)c1OC)C(=O)Nc1cc(Cl)ccc1C(O)=O
62037 Cc1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62038 CCCc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62039 CCCCCC(=O)Nc1cc(Cl)ccc1C(O)=O
62040 CCCCCCC(=O)Nc1cc(Cl)ccc1C(O)=O
62041 COc1ccc(cn1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62042 COc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
62043 CC(C)c1cccc(c1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62044 OC(=O)c1ccc(Cl)cc1NC(=O)N1CCC(=O)CC1
62045 OC(=O)c1ccc(Cl)cc1NC(=O)c1coc2ccccc12
62046 OC(=O)c1ccc(Cl)cc1NC(=O)C1CCOCC1
62047 COc1ccc(cc1)C(=O)Nc1cc(I)ccc1C(O)=O
62048 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)-c1cccs1
62049 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)C(F)(F)F
62050 CC(C)Cc1ccc(cc1)C(=O)Nc1cc(Cl)ccc1C(O)=O
62051 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(Cc2ccccc2)cc1
62052 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2ccccc2c1
62053 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc2CCCc2c1
62054 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)-c1ccccc1
62055 Cc1ccc(C(=O)Nc2cc(Cl)ccc2C(O)=O)c(C)c1
62056 Cc1ccc(cc1C)C(=O)Nc1cc(Cl)ccc1C(O)=O
62057 OC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(cc1)C1CC1
62058 [H]C12CCC([H])(CC(O)(C1)c1ccc(F)cc1)N2Cc1nnnn1C1CCCCC1 |TLB:8:7:17:3.2,THB:10:7:17:3.2|
62059 O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)NC1CCCC1
62060 COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |(9.3,-5.16,;8.15,-4.13,;8.48,-2.63,;9.94,-2.15,;10.26,-.64,;9.12,.39,;7.65,-.09,;7.33,-1.6,;5.87,-2.07,;5.39,-3.54,;6.3,-4.78,;5.67,-6.19,;6.57,-7.43,;5.95,-8.84,;8.11,-7.27,;3.85,-3.54,;3.37,-2.07,;4.62,-1.17,;4.62,.37,;3.29,1.14,;3.29,2.68,;4.62,3.45,;5.95,2.68,;5.95,1.14,;4.62,4.99,;3.08,4.99,;6.16,4.99,;4.62,6.53,;3.29,7.3,;3.29,8.84,;4.62,9.61,;5.95,8.84,;5.95,7.3,)|
62061 CCCCC(N1CCN(CC1)C1CCCCC1)c1nnnn1C1CCCC1
62062 OCCN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
62063 CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc12
62064 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC
62065 COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2cccc(C)c2)n1
62066 CCc1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc12
62067 O=C(NC1CCCC1)C1(CCCCC1)N(CC1CCCO1)C(=O)c1ccc2OCOc2c1
62068 CCC(C)(N(Cc1ccco1)C(=O)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
62069 CCC(C)(N(Cc1ccco1)C(=O)c1ccc2OCOc2c1)C(=O)NC1CCCC1
62070 Clc1ccccc1-c1nnn(Cc2ccc(cc2)-c2nnn[nH]2)n1
62071 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccco1
62072 COc1ccccc1C1CC(Nc2ncnn12)c1ccc(Cl)cc1
62073 N#Cc1ccc(CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1
62074 COc1cc(OC)c(cc1S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1
62075 CCc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1
62076 OCC(C#C)N(CCN(Cc1ccccc1)C(CO)C#C)Cc1ccccc1
62077 Cc1ccc(c(C)c1)-n1c(SCC(N)=O)nnc1-c1ccc(cc1)S(=O)(=O)N1CCCCC1 |(11.72,-.17,;10.26,-.64,;9.12,.39,;7.65,-.09,;7.33,-1.6,;8.48,-2.63,;8.15,-4.13,;9.94,-2.15,;5.87,-2.07,;5.39,-3.54,;6.3,-4.78,;5.67,-6.19,;6.57,-7.43,;5.95,-8.84,;8.11,-7.27,;3.85,-3.54,;3.37,-2.07,;4.62,-1.17,;4.62,.37,;3.29,1.14,;3.29,2.68,;4.62,3.45,;5.95,2.68,;5.95,1.14,;4.62,4.99,;3.08,4.99,;6.16,4.99,;4.62,6.53,;5.95,7.3,;5.95,8.84,;4.62,9.61,;3.29,8.84,;3.29,7.3,)|
62078 CCOC(=O)CSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
62079 CCn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1
62080 O=C(Cc1cccs1)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccccc1
62081 CN1CCN(CC1)c1ccccc1NC(=O)Cc1ccc(Cl)cc1
62082 O=C(NC1CCCCCCC1)C1N(Cc2ccco2)C(=O)c2ccccc12
62083 Cc1ccc(cc1)C1C2C(=NCCN=C2c2ccccc2)C(=O)N1c1ccccc1 |c:10,14|
62084 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1cnccn1
62085 CCOC(=O)C(C)On1c(nc2ccc(cc12)[N+]([O-])=O)-c1ccccc1
62086 Clc1ccc(cc1)-n1c(SC\C=C\c2ccccc2)nnc1-c1cccnc1
62087 COC(=O)CNC(c1ccccc1)c1cc(C)ccc1NC(=O)CNC(=O)OCc1ccccc1
62088 COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
62089 COc1ccnc(Oc2ccc(F)cc2)c1C(=O)NC=NOCc1ccc(F)cc1 |w:20.22|
62090 Cc1cc(ccc1[N+]([O-])=O)C(=O)N1CCC(Cc2ccccc2)CC1
62091 On1n(nc([N+]([O-])=O)\c1=N\c1ccc(Cl)cc1)-c1ccc2OCCOc2c1
62092 Cc1ccc(NCC(=O)NN=Cc2ccc(OC(=O)c3ccco3)cc2)cc1
62093 CCOC(=O)COc1c(Cl)cc(cc1OC)C1NC(=S)N=C(C1C(C)=O)c1ccccc1 |c:21|
62094 Cc1cc(cc(C)c1OCC(=O)NN=Cc1ccc(OC(=O)c2ccccc2)cc1)[N+]([O-])=O
62095 O=C(NC1CCCC1)C1(CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1
62096 [H]C12OC(CNC(=S)Nc3ccc(Cl)cc3)(C=C1)c1c(O)n(c(O)c21)-c1ccc(C)cc1 |c:17,TLB:22:24:2:16.17,THB:19:18:2:16.17|
62097 O=C(NC1CCCCCCC1)C1N(Cc2cccs2)C(=O)c2ccccc12
62098 COC(=O)C(O)(c1ccc(cc1)N(C)C(=O)c1ccc(Cl)c(Cl)c1)C(F)(F)F
62099 Cc1ccccc1NC(=O)Cn1nnc(c1N)S(=O)(=O)c1ccc(cc1)C(C)(C)C
62100 OC(=O)c1ccc(NCc2cccc(Br)c2)cc1
62101 CCCCNc1nc2ccccc2n1CC(=O)Nc1c(C)cccc1CC
62102 COc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)Cc1ccc(F)cc1
62103 Cc1cc(CC(Nc2ccc(C)cc2)c2ccccc2)on1
62104 [O-][N+](=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 |t:14|
62105 CCCN(CCC)CCOc1cc(C)ccc1C(C)C
62106 [H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N(C)C)n(Cc3ccccc3)c1C2
62107 Cc1ccccc1CC1(CO)CCCN(C1)C(=O)c1cc(Cl)ccc1F
62108 CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(C\C=C\c2ccccc2)CC1
62109 COc1cccc(CC2(CO)CCCN(Cc3c(C)cc(C)cc3-n3cccn3)C2)c1
62110 Cc1ccccc1CC1(CO)CCCN(C1)C(=O)c1ccccc1Cl
62111 Cc1ccccc1CN1C[C@@H]2C[C@H](N3CCC[C@@]23C1=O)c1c[nH]nc1-c1ccc(F)cc1
62112 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCCC1
62113 O=C(Oc1ccc(cc1)C(=S)N1CCOCC1)c1ccccc1
62114 CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O
62115 COc1ccccc1C(=O)N(CCC1CCCN1C)c1nc2ccccc2s1
62116 CCCC(CCC)C(=O)Nc1ccc2CCc3ccccc3N(C(=O)CCN3CCN(C)CC3)c2c1
62117 Nc1c(nnn1Cc1ccc(Br)cc1)C(=O)NCc1ccc2OCOc2c1
62118 COCCCNC(=O)\C=C1/Sc2ccccc2N(Cc2ccccc2F)C1=O
62119 COc1ccc(cc1)C1CC1C(N=O)c1ccccn1
62120 [O-][N+](=O)c1ccc(nc1)N1CCN(Cc2ccccc2)CC1
62121 CCOc1ccccc1NC(=O)C(NCC1(CCCCC1)N1CCCCC1)c1ccccc1
62122 FC(F)(F)c1cccc(Cn2c3CCCCC[n+]3c3ccc(cc23)C(F)(F)F)c1
62123 Cc1cc(Cn2cc(Br)ccc2=[NH2+])c2ncccc2c1
62124 CN=c1scc(-c2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1 |w:14.15,1.0|
62125 CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cccc(c1)C#N
62126 OCCOc1c(Br)cc(Br)cc1CP(=O)(c1ccccc1)c1ccccc1
62127 CC(NCCC1(Cc2ccccc2Cl)CCOC(C)(C)C1)c1cccs1
62128 FC(F)(F)c1oc(cc1C(=O)NCc1cccnc1)-c1ccc(Cl)cc1
62129 CCOC(=O)c1cn[nH]c1NC(=S)Nc1ccc(OC)cc1
62130 CC(C)(CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
62131 Cc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1C
62132 CCOc1ccc(cc1CNC1CCCCCCC1)[N+]([O-])=O
62133 Cc1ccc(NC(=S)NCc2ccc(Cl)cc2)c(C)c1
62134 CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccccc3F)sc2c1
62135 COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)C(O)=O)ccc1OC(=O)c1cccc(F)c1
62136 CN(C)c1ccc(Nc2ccc(cn2)[N+]([O-])=O)cc1
62137 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1
62138 CCN(CC)CCNC(=O)CCc1c(C)nc2n(nc(C)c2c1C)-c1ccc(C)cc1
62139 CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCCc1ccccc1
62140 COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCC(=O)c1ccc(Br)cc1
62141 NS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1
62142 COCCNC1=N[C@H](C(C(=O)OC)=C(C)N1Cc1ccccc1)c1cccc(c1)C(F)(F)F |t:5,12|
62143 Fc1cccc(Cl)c1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
62144 CCN1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccc(C)cc3)c2c1
62145 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)N(C)C2CCCCC2)C1=O |TLB:6:5:10.9:2,25:9:2:7.5,THB:8:7:10.9:2,11:10:2:7.5|
62146 COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2cccc(OC)c2)CC1
62147 Cc1ccccc1CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)NCCCN1CCOCC1
62148 Cc1ccc(CN2c3cc(ccc3Sc3ccccc3C2=O)C(=O)NCCCN2CCOCC2)cc1
62149 Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N1CCCCC1
62150 Cc1ccccc1NC(=O)C1CCCN(C1)c1ncnc2onc(-c3ccc(F)cc3)c12
62151 COc1ccc(cc1)C(CNC(=O)COc1ccc(Cl)c(C)c1)N1CCCCC1
62152 N=c1c(cc2c(nc3ccccn3c2=O)n1CC1CCCO1)C(=O)NCCc1ccccc1
62153 Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)CCCC(=O)Nc1ccccn1
62154 N=c1c(cc2c(nc3ccccn3c2=O)n1CCCN1CCOCC1)C(=O)NCCc1ccccc1
62155 COc1cc(cc(OC)c1OC)C(N(C(=O)c1ccco1)c1ccccc1OC)C(=O)NC1CCCCC1
62156 CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
62157 CCc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)c1csnn1
62158 COc1ccc(OC)c(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1
62159 Clc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)N1CCCCC1
62160 COc1ccccc1N(C(C(=O)NC1CCCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
62161 N=c1c(cc2c(nc3ccccn3c2=O)n1CC1CCCO1)C(=O)NC1CCCCC1
62162 CC(C)Cc1cc([nH]n1)C(=O)N1CCCC(CO)(Cc2ccc(F)cc2F)C1
62163 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC(N2CCOCC2)c2ccc(F)cc2)cc1
62164 COc1ccc(OCC(=O)Nc2ccc3C(=O)NC(=O)c3c2)cc1
62165 CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc(COc3ccccc3)o2)c(=O)[nH]c1=O
62166 CN(C)C1=NC[C@H](Cc2ccccc2)N1CC1CCC(CC1)C(C)(C)C |wD:6.6,t:3,(9.86,-6.27,;10.18,-4.76,;11.65,-4.29,;9.04,-3.73,;7.53,-4.05,;6.76,-2.72,;7.79,-1.57,;7.47,-.07,;6.01,.41,;5.69,1.91,;4.22,2.39,;3.08,1.36,;3.4,-.15,;4.86,-.62,;9.2,-2.2,;10.53,-1.43,;10.53,.11,;9.2,.88,;9.2,2.42,;10.53,3.19,;11.87,2.42,;11.87,.88,;10.53,4.73,;10.53,6.27,;12.07,4.73,;8.99,4.73,)|
62167 CCC(C)CCN1[C@@H](Cc2ccccc2)CN=C1Nc1ccccc1 |c:17|
62168 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(CC)cc2s1
62169 Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
62170 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
62171 Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1
62172 COc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
62173 COc1ccc(CN(Cc2ccccn2)C(=O)CN2C(=O)COc3ccccc23)cc1
62174 O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccccn1
62175 CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccn1
62176 CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccn1
62177 CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
62178 CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
62179 Clc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
62180 Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
62181 COc1ccc(cc1)C(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
62182 COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
62183 COc1ccc(CC2(CO)CCN(Cc3nccn3-c3cccc(C)c3)CC2)cc1
62184 Cc1cccc(c1)-n1ccnc1CN1CCC(CO)(CC2CCCCO2)CC1
62185 O=C(NC1CCCCC1)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
62186 Brc1ccc(NC(=O)C2(CCCCC2)N(Cc2ccco2)C(=O)c2ccccn2)cc1
62187 Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(C)c1
62188 Cc1ccc(C)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
62189 CN(C)C(CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1)c1ccccc1
62190 CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)=O)cc1
62191 O=C(N1CCN(Cc2ccccc2)CC1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
62192 Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c2cccnc12 |w:15.17|
62193 Cc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
62194 Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
62195 Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1Cl
62196 ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccc(Br)cc1
62197 ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1cccc(Br)c1
62198 Fc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1
62199 ClC(Cl)(Cl)C(NC(=O)OCc1ccccc1)NC(=S)Nc1ccccc1
62200 COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C)Cc1ccccc1
62201 COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)N1CCN(Cc2ccccc2)CC1
62202 CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1)Cc1ccccc1
62203 COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
62204 Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
62205 Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
62206 Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
62207 Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)CCn2c3ncccc3n3cccc3c2=O)CC1
62209 Nc1c(sc2nc3\C(CCc3c(-c3ccco3)c12)=C/c1ccco1)C(=O)NCC1CCCO1
62216 CC1CN(CCN1c1cccc(C)c1)C(=O)COc1nsc2nc(C)cc(C)c12
62217 Cc1cc(C)c2c(ccn(CC(=O)N3CCN(CC3)c3ccccc3)c2=O)n1
62218 CC1CN(CCN1c1cccc(C)c1)C(=O)Cn1ccc2nc(C)cc(C)c2c1=O
62219 Cc1cc(C)c2C(=O)N(CC(=O)N3CCN(CC3)c3ccccc3)CCc2n1
62220 CC1CN(CCN1c1cccc(C)c1)C(=O)CN1CCc2nc(C)cc(C)c2C1=O
62221 CC1CN(CCN1c1cccc(C)c1)C(=O)COc1noc2nc(C)cc(C)c12
62222 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(Br)cc1)\[#6](=O)-[#8]-[#6]-[#6]
62223 Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
62224 Fc1cccc(F)c1C(=O)OCn1ncc(Br)c(Br)c1=O
62225 Clc1ccc(\C=C(\C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1
62226 Clc1ccc(cc1Cl)S(=O)(=O)c1snnc1-c1ccccc1
62227 Clc1ccc(cc1)S(=O)(=O)c1snnc1C(=O)Nc1ccccc1
62228 CC(C)c1cc(O)c(C)cc1NC(=O)\C=C\c1ccccc1
62229 COc1ccc(c(n1)S(=O)(=O)c1ccccc1)[N+]([O-])=O
62230 [O-][N+](=O)c1cnc(Sc2ccncn2)s1
62231 Oc1c(ccc2ccccc12)C(=O)Nc1ccc(Cl)c(c1)[N+]([O-])=O
62232 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1
62233 Cc1ccc(cc1NC(=O)c1cc(Cl)c2ccccc2c1O)[N+]([O-])=O
62234 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccc(CN2CCc3ccccc3C2)cc1
62235 CCc1cc(no1)C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
62236 COc1ccc(cc1)-c1nc(CN2CCN(CC2)c2ncnc3ccccc23)c(C)o1
62237 COc1ccc(F)c(c1)-c1nc(CN2CCN(CC2)c2ncnc3ccccc23)c(C)o1
62238 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
62239 CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62240 Fc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62241 Fc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
62242 CCOc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
62243 CCOc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
62244 Fc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
62245 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
62246 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
62247 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
62248 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
62249 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
62250 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
62251 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
62252 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccccc1
62253 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1
62254 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(C)=O
62255 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccccc1
62256 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1
62257 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)C1CC1
62258 COc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
62259 COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
62260 CSc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
62261 CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62262 CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
62263 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O
62264 COc1ccc(cc1OC)C(=O)Nc1sc2COC(C)(C)Cc2c1C(O)=O
62265 CC(C)(C)c1ccc(cc1)-c1nc2ccccc2s1
62266 O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)NC1CCCCC1
62267 CCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1
62268 Cc1cc(nn1C)C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
62269 CCc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1
62270 Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
62271 Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1
62272 Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(cc1)C(C)(C)C
62273 Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(C)c1 |w:8.7|
62274 CC(C)(C)c1ccc(cc1)C(=O)ON=C(N)c1ccccc1 |w:13.13|
62275 CC(C)(C)c1ccc(cc1)C(=O)O[N-]C(=[NH2+])c1cccc(c1)[N+]([O-])=O
62276 CC(C)(C)C(=O)NC(N)=Nc1nc2ccccc2o1 |w:9.9|
62277 CCOc1ccc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c1=O |w:9.9|
62278 COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C
62279 Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1
62280 FC(F)(F)c1ccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1
62281 COCCn1c(C)cc(C(=O)COC(=O)c2cccc(O)c2)c1C
62282 O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1cccc(c1)C#N
62283 Cc1ccc(cc1)-c1nc2ccccc2s1
62284 COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(C)cc1 |w:18.20|
62285 CN(C)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
62286 CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62287 CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
62288 FC(F)(F)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62289 CCOc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1
62290 CCOC(=O)c1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1
62291 OS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62292 CCOc1ccc(cc1)C(=O)Nc1ccc(CN2CCc3ccccc3C2)cc1
62293 [S-]C#N
62294 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
62295 COc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62296 OC(=O)c1c(NC(=O)N2CCOCC2)sc2CCCCc12
62297 CC1CCc2c(C1)sc(NC(=O)c1ccc(Cl)cc1)c2C(O)=O
62298 CC1CCc2c(C1)sc(NC(=O)c1ccc(Br)cc1)c2C(O)=O
62299 COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2CCCCc12
62300 OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2CCCCc12
62301 COC(=O)c1c(NC(=O)C=Cc2cccs2)sc2CC(C)CCc12
62302 Brc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62303 Nc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1Cl
62304 COc1ccc2oc(CS(=O)c3ccccc3)c(C(O)=O)c2c1
62305 Cc1ccc(cc1)S(=O)(=O)n1c2ccc(C)cc2[nH]c1=S
62306 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
62307 Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2cc(C)c(C)cc12
62308 Clc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
62309 Cc1cc([nH]n1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F
62310 Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
62311 Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1cc(n[nH]1)-c1ccccc1
62312 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
62313 Nc1nc2ccccc2n1C(=O)Cc1ccccc1
62314 Nc1nc2ccccc2n1C(=O)c1ccc(F)cc1
62315 O=C(C1CC1)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
62316 CCc1cc(no1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F
62317 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
62318 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
62319 [O-]B1OB2OB([O-])OB(O1)O2
62320 FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cccnc1
62321 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
62322 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
62323 CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)Nc1nc(cs1)-c1ccc(F)cc1 |r|
62324 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
62325 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
62326 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
62327 CCOc1ccc(cc1)C(=O)NC1CCCc2c1cnn2-c1ccccc1F
62328 COc1ccc(cc1)C(=O)Cn1c(N)nc2ccccc12
62329 Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(Cc2ccc(F)cc2)n1
62330 Clc1ccc(NC(=O)c2ccc(CCN3CCc4ccccc4C3)cc2)cc1
62331 Clc1ccc(cc1)C(=O)Nc1ccc(CN2CCc3ccccc3C2)cc1
62332 Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1
62333 Clc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl
62334 Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62335 Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
62336 Fc1ccccc1-n1ncc2C(CCCc12)NC(=O)c1ccnn1-c1ccccc1
62337 CC1=C(C#N)C(C(C#N)=C(C)N1)c1cccc2[nH]ncc12 |c:1,t:8|
62338 COc1ccc(cc1)-c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)n(C)n1
62339 Cn1nc(cc1C(=O)NC1CCCc2c1cnn2-c1ccccc1F)-c1ccc(Cl)cc1
62340 Cn1nccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccccc1F
62341 Cn1nccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccccc1F
62342 CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
62343 OC(=O)c1c(NC(=O)CCc2ccccc2)sc2CCCCc12
62344 OC(=O)c1c2CCCCc2sc1-n1cccc1
62345 OC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CCCCc12
62346 CC1(C)Cc2c(CO1)sc(NC(=O)c1ccco1)c2C(O)=O
62347 CC1(C)Cc2c(CO1)sc(NC(=O)c1ccccc1Cl)c2C(O)=O
62348 CC1(C)Cc2c(CO1)sc(NC(=O)c1ccccc1)c2C(O)=O
62349 CCC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62350 COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2CC(C)CCc12
62351 CCC1CCc2c(C1)sc(NC(=O)c1ccccc1Br)c2C(=O)OC
62352 Cc1ccc(o1)C(=O)Nc1sc2CCCCc2c1C(O)=O
62353 CCOC(=O)c1c(NC(=O)c2cccs2)sc2COC(C)(C)Cc12
62354 COC(=O)c1c(NC(=O)c2ccccc2)sc2COC(C)(C)Cc12
62355 CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1
62356 FC(F)(F)S(=O)(=O)NC(=O)CCc1ccc(Cl)cc1CN1CCC[C@H]1c1nc(co1)C(=O)NCCCCC1CCCCC1 |r|
62357 CCCCNCC(=O)Nc1sc2CCCCc2c1C(O)=O
62358 OC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCCc12
62359 CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2COC(C)(C)Cc12
62360 COC(=O)c1c(NC(=O)C(=O)N2CCCCC2)sc2COC(C)(C)Cc12
62361 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCCC1)c2C(O)=O
62362 CC(=O)Nc1nc2ccccc2n1Cc1ccccc1
62363 CC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
62364 CC(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62365 O=C(CSc1ccc2ccccc2c1)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
62366 Cc1cc(Br)ccc1SCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
62367 Clc1ccc(SCC(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)cc1
62368 Clc1ccc(Cn2c(NC(=O)c3cccs3)nc3ccccc23)cc1
62369 Clc1ccc(Cn2c(NC(=O)C3CCCCC3)nc3ccccc23)cc1
62370 Cc1ccccc1C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62371 CCCCCNC(=O)NCCCC\C=C/CCCCCCP([O-])([O-])=O
62372 Clc1ccc(Cn2c(NC(=O)c3ccccc3)nc3ccccc23)cc1
62373 Clc1ccc(Cn2c(NC(=O)Cc3ccccc3)nc3ccccc23)cc1
62374 Nc1nc2ccccc2n1Cc1ccccc1Cl
62375 CN(C)c1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62376 CC(C)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62377 Clc1ccccc1Cn1c(NC(=O)c2cccs2)nc2ccccc12
62378 Clc1ccccc1Cn1c(NC(=O)C2CCCCC2)nc2ccccc12
62379 Clc1ccc(Cn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc23)cc1
62380 COc1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62381 CC(=O)Nc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
62382 CC(=O)Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
62383 Clc1ccc(Cn2c(NC(=O)c3ccc(cc3)C#N)nc3ccccc23)cc1
62384 Fc1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
62385 Clc1ccccc1Cn1c(NC(=O)c2ccco2)nc2ccccc12
62386 Clc1ccc(cc1)C(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
62387 CCCCCNC(=O)NCCCC\C=C/CCCCCCS([O-])(=O)=O
62388 Nc1cc(NC(=O)c2ccc3ccccc3c2O)ccc1Cl
62389 COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4ccccc4n23)n1
62390 COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N(C)c3nc(cs3)-c3ccccc3)n21
62391 CCc1cccc(C)c1NC(=O)c1ccc(o1)-c1ccccc1Cl
62392 CCc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(OC)ccc1OC
62393 CCOc1ccc(OC)cc1-c1ccc(o1)C(=O)Nc1c(C)cccc1CC
62394 Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(F)ccc1F
62395 Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
62396 Cc1cscc1-c1ccc(o1)C(=O)Nc1c(C)cccc1C
62397 Cc1ccc(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c(C)c1
62398 Cc1ccc(C)c(NC(=O)c2ccc(o2)-c2cc(Cl)ccc2Cl)c1
62399 Cc1ccccc1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62400 COc1cccc(OC)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62401 COc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62402 CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62403 Cc1ccc(c(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl)S(C)(=O)=O
62404 CCc1cccc(CC)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62405 Cc1ccc2ccccc2c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62406 Cc1cccc(Cl)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62407 Cc1cccc(C)c1NC(=O)c1ccc(o1)-c1cc(Cl)ccc1Cl
62408 COc1cccc(c1)-n1cc(O)c(c1N)-c1nc2ccccc2c(=O)[nH]1
62409 COC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(F)c1
62410 CCn1nnc(n1)-c1ccccc1NC(=O)c1cccc(c1)-n1cnnn1
62411 O=C(COc1ccccc1C#N)Nc1c(oc2ccccc12)C(=O)C1CC1
62412 Brc1ccc(cc1)C(=O)Cn1cnc2c(C#N)n3CCCc3c2c1=O
62413 COc1ccc(cc1)-n1cc(O)c(c1N)-c1nc2ccccc2s1
62414 Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CC1CCCO1
62415 Cc1cc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)n1-c1ccccc1
62416 CCOc1ccc(OCC)c(NC(=O)C(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)C(C)C)c1
62417 CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(cc1)S(=O)(=O)N(C)C
62418 CCC(=O)Nc1ccc(cc1)C(=O)Nc1ccc2C(=O)N(CC3CCCO3)C(=O)c2c1
62419 Brc1ccc(cc1)-c1nnc(SCC(=O)Nc2cccc3ccccc23)o1
62420 O=C(Nc1cccc(c1)-c1nnc(o1)-c1ccccc1)C1CCCCC1
62421 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)NCc1ccc2OCOc2c1
62422 CCOc1cccc(NC(=O)Cn2nc(ccc2=O)-c2ccc3OCCOc3c2)c1
62423 COc1ccc(Cn2cccc(NC(=O)Nc3cccc(c3)C#N)c2=O)cc1
62424 COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(n2)C(C)=O)cc1
62425 Clc1ccc(cc1)S(=O)(=O)NCC1CCC(CC1)C(=O)NCc1ccc2OCOc2c1 |(3.08,-3.85,;4.41,-3.08,;4.41,-1.54,;5.75,-.77,;7.08,-1.54,;7.08,-3.08,;5.75,-3.85,;8.41,-.77,;7.64,.56,;9.18,-2.1,;9.75,,;11.08,-.77,;12.42,,;12.42,1.54,;13.75,2.31,;15.08,1.54,;15.08,,;13.75,-.77,;16.42,2.31,;16.42,3.85,;17.75,1.54,;19.08,2.31,;20.42,1.54,;20.42,,;21.75,-.77,;23.09,,;24.54,-.47,;25.44,.77,;24.54,2.01,;23.09,1.54,;21.75,2.31,)|
62426 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1 |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
62427 O=C(Nc1ccc2snnc2c1)Nc1ccc2ccccc2c1
62428 C1Sc2nnc(-c3cc([nH]n3)-c3ccccc3)n2N=C1c1ccc(cc1)-c1ccccc1 |c:21|
62429 CCOc1cc(cc(OCC)c1OCC)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
62430 CC(C)C(=O)Nc1cccc(c1)C(=O)OCC(=O)c1ccc(Cl)cc1Cl
62431 Cn1c2ccc(\C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2n(C)c1=O
62432 COCCCNC(=O)c1c(N)n(-c2ccc(cc2)S(N)(=O)=O)c2nc3ccccc3nc12
62433 CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)sc2c1
62434 Cn1cc(\C=C2\SC(=O)N(CC(=O)Nc3ccc4OCOc4c3)C2=O)c2ccccc12
62435 CCc1nnc(NC(=O)CSc2ccc(cn2)-c2nc3ccccc3[nH]2)s1
62436 COc1ccc(\C=C\C(=O)Oc2cccc(C=NNC(=O)COc3c(C)cccc3C)c2)cc1
62437 CCc1nnc(NC(=O)CSc2nc3cc4OCCOc4cc3cc2C)s1
62438 O=C(Cn1nnc(n1)-c1ccccc1NC(=O)c1ccccc1)Nc1ccc2OCCOc2c1
62439 Cc1cccc(OCC(=O)NN=C\C=C\c2ccc3OCOc3c2)c1C
62440 Brc1ccc(\C=C(\NC(=O)c2ccco2)c2nc3ccccc3[nH]2)cc1
62441 Cc1sc2ncnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)c2c1C
62442 CNC(=S)NNC(=O)c1sccc1OCc1cccc(c1)C(F)(F)F
62443 Cc1ccc(cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl)-c1nc2ccccc2[nH]1
62444 CCOc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1
62445 Oc1ccc(cc1)N1C(=O)c2ccc(Oc3ccc(NC(=O)c4cccs4)cc3)cc2C1=O
62446 O=C(CSc1nc2ccc(NC(=O)CSc3nnnn3-c3ccccc3)cc2s1)Nc1ccccc1
62447 [O-][N+](=O)c1cccc(CN=Nc2nc(NCc3ccccc3)nc(n2)N2CCOCC2)c1 |w:10.10|
62448 Cc1ccccc1OCCn1cc(\C=C(/C#N)C(=O)NCc2ccco2)c2ccccc12
62449 Fc1ccccc1Cn1cc(\C=C(/C#N)C(=O)NCc2ccco2)c2ccccc12
62450 COc1ccccc1CNC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1
62451 COc1ccccc1Nc1ncc(C(=O)Nc2ccc(OC)c(OC)c2)c2ccccc12
62452 Cc1ccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)cc1C
62453 O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1cccs1
62454 Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccc3OCOc3c2)cc1F
62455 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)COC(=O)\C=C\c2ccccc2)c1
62456 Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(cc3)S(=O)(=O)N3CCOCC3)s2)cc1
62457 Clc1ccc(NC(=O)N=C2N(Cc3ccccc23)c2ccc(cc2)C#N)cc1 |w:8.7|
62458 COc1cc(NC(=O)COC(=O)\C=C\c2ccc(Cl)cc2Cl)cc(OC)c1
62459 COc1ccc(cc1)C(=O)CSc1nnc(NC(=O)C2CN(C(=O)C2)c2cccc(OC)c2)s1
62460 CC(=NNC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)c2ccoc2C)cc1 |w:2.2|
62461 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#7]-c1ccc(Cl)c(Cl)c1)=[#6](\C#N)C#N |t:1,4|
62462 Cc1cc(NC(=O)COC(=O)c2oc3c(ccc4ccccc34)c2C)no1
62463 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1ccc(F)cc1Cl
62464 Fc1cccc(Cl)c1COC(=O)CNC(=O)c1ccc(cc1)-c1ccccc1
62465 CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1
62466 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(Cc2nc3sc(C)c(C)c3c(=O)[nH]2)CC1
62467 NS(=O)(=O)c1ccc(NC(=O)COC(=O)C(=C\c2cccs2)\c2cccs2)cc1
62468 CC(=O)Nc1ccc(NC(=O)Cc2sc(nc2-c2ccc(C)cc2)-c2cccnc2)cc1
62469 COc1ccc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1O
62470 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
62471 O=C(Cn1cnc2ccccc2c1=O)Nc1nc2ccccc2s1
62472 NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3OCOc3c2)cc1
62473 CC(=NNC(=O)c1c(Br)cnn1C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 |w:2.2|
62474 COc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccc(OC)cc2OC)c(OC)c1
62475 Cn1cc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)c2ccccc12 |w:4.3|
62476 Cc1ccc(NC(=O)CCn2c3ccccc3oc2=S)cc1
62477 COc1cccc(OC)c1C(=O)Nc1nc2cc3OCOc3cc2s1
62478 CCOC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n23)cc1
62479 Clc1ccc(CCNC(=O)CCCCCNc2[nH]c(=S)nc3ccccc23)cc1
62480 Fc1ccccc1NC(=O)c1cc2CS(=O)(=O)c3ccccc3-c2s1
62481 CSc1ccccc1NC(=O)Cn1nnc(n1)-c1ccc(cc1)S(C)(=O)=O
62482 COc1ccc(CNC(=S)N2CCN(CC2)S(=O)(=O)c2cccc(F)c2)cc1
62483 O=c1[nH]c(CN2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)nc2ccccc12
62484 COc1cccc(C2C3C(=O)CCCC3=Nc3nc(nn23)-c2cc(OC)c(OC)c(OC)c2)c1OC |c:15|
62485 CN1C(=O)N(C)C2(N=c3sc(=Cc4ccco4)c(=O)n3NC12c1ccccc1)c1ccccc1 |t:7|
62486 CCOc1ccc(Nc2nnc(SCc3nc4ccccc4c(=O)[nH]3)s2)cc1
62487 Cc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
62488 COc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
62489 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1
62490 O=C(CCCCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(Cc2ccccc2)CC1
62491 COc1cccc(c1)C(=O)Nc1nc2c(ccc3onc(-c4ccccc4[N+]([O-])=O)c23)s1
62492 COc1cc(OC)c(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c(OC)c1
62493 Brc1ccc(cc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
62494 COc1ccc(Cc2nnc(NC(=O)Nc3ccccc3F)s2)cc1OC
62495 COc1cc(NC(=O)c2ccc(Br)cc2)c(OC)cc1NC(=O)c1ccccc1
62496 Cc1ccc(cc1C)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
62497 CCOC(=O)c1ccc(cc1)-c1csc(NC(=O)CN2CCC(C)CC2)n1
62498 COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
62499 CN(C)c1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1C)C(=O)NCC1CCCO1
62500 CN(C)c1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1C)C(=O)NCC1CCCO1
62501 COc1ccc(Cl)cc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
62502 CCOC(=O)c1sc(NC(=O)COc2ccc3OCOc3c2)nc1C
62503 COc1ccc(cc1)-n1c(SCC(=O)NCC2CCCO2)nc2c3ccccc3[nH]c2c1=O
62504 Fc1ccc(cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
62505 Cc1ccc(\C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1
62506 CCOc1ccc(NC(=O)CCC(=O)NNC(=O)COc2ccc(C)cc2Br)cc1
62507 COc1ccc(NC(=O)NCc2ccc3OCOc3c2)c(OC)c1
62508 COCCOC(=O)c1c(C)c(sc1NC(=O)COC(=O)Cc1cccc(OC)c1)C(N)=O
62509 COc1ccc(cc1OC)-c1nonc1NC(=O)c1oc2ccc(F)cc2c1C
62510 CN1CCN(CC1)c1ccc(nn1)-c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
62511 Cc1ccc(NC(=O)CSc2ccc(nn2)-c2ccccn2)cc1F
62512 Nc1c(nnn1Cc1cccc(Cl)c1)C(=O)Nc1ccc2OCCOc2c1
62513 Nc1c(nnn1Cc1cccc(F)c1)C(=O)Nc1ccc2OCCOc2c1
62514 COC(=O)c1ccc2nc(NC(=O)CCS(=O)(=O)c3ccccc3)sc2c1
62515 CCOC(=O)N1CCc2c(C1)sc(NC(=O)C1COc3ccccc3O1)c2C(N)=O
62516 COc1ccc2oc(C(=O)OCC(=O)Nc3cc(ccc3C)S(=O)(=O)N3CCOCC3)c(C)c2c1
62517 COc1ccc2oc(C(=O)OCC(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1
62518 COc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1CCCCC1
62519 COc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
62520 CC(OC(=O)c1oc2ccccc2c1C)C(=O)Nc1ccc(NC(C)=O)cc1
62521 [H][C@]12COc3ccc(Cl)cc3[C@]1([H])N1C(=O)c3ccc(Cl)cc3NC(=O)[C@@]1(C)[C@H]2C(=O)OCC
62522 CN1CCC(OC(C)=O)(C2CCCCC12)c1ccccc1
62523 Cc1ccc2nc(N3CCN(Cc4nnnn4Cc4ccccc4)CC3)c(cc2c1)C#N
62524 CC1Cc2ccccc2N1C(=O)CSc1ncccc1C(O)=O
62525 CCn1c(O)c(C=Nc2ccccc2)oc1=S |w:7.7|
62526 Cn1nnc2cc(ccc12)C(=O)NC(C)(C)C
62527 Cc1cc(C)n(n1)C(=O)c1ccncc1
62528 CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2OCCOc2c1
62529 COc1ccc(OC)c(c1)N(CC(=O)Nc1ccccc1)S(C)(=O)=O
62530 COc1cc(cc(OC)c1OC)C(=O)NC1CCN(Cc2nnnn2Cc2cccs2)CC1
62531 CCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1
62532 Nc1ncnc2nc([nH]c12)N1CCN(CC1)C(=O)c1ccccc1
62533 Cc1nc(Nc2ccc3OCCOc3c2)c2nnn(Cc3ccccc3Cl)c2n1
62534 CC(C)C(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1
62535 COC(=O)CCNc1ccc2OCCOc2c1
62536 OC(=O)CSc1nc(nc2c3ccccc3oc12)-c1ccccc1
62537 O=C(N1CCN(CC2CCC=CC2)CC1)c1ccccc1 |c:10|
62538 CCOC(=O)CCCNS(=O)(=O)c1c(C)ccc2nsnc12
62539 [H]C12CCCC([H])(CC(C1)NC(=O)C1CC1)N2C(=O)Nc1ccccc1C
62540 Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCc1ccncc1
62541 Cc1cccc(N2CCN(CC2)C(c2nnnn2CC2CCCO2)c2ccccc2)c1C
62542 CC1C(NC(C(C)C1=O)c1ccco1)c1ccco1
62543 Cn1c2ccc(NS(C)(=O)=O)cc2n(C)c1=O
62544 Cc1cnc(cn1)C(=O)Nc1ccccc1-n1cccc1
62545 Cc1cccc2cc3c(N)c(sc3nc12)C#N
62546 CCCn1c(nc2ccccc12)N1CCN(CC(=O)NCc2cccs2)CC1
62547 O=C(C1CCCN(C1)S(=O)(=O)Cc1ccccc1)N1CCc2ccccc12
62548 Cc1c(C)c2cc(C)ccc2n1CC(O)Cn1nnc2ccccc12
62549 Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NCCc1ccc2OCOc2c1
62550 [H]C12CC(C)(NC(=O)C1C(=O)NCc1ccccc1)Oc1ccccc21 |THB:9:8:2:19.25.20,24:25:2:5.8.6|
62551 OCc1cn(nn1)C1=C(Cl)C(=O)OC1NC(=O)c1ccccc1 |c:8|
62552 Cc1ccc(Cn2c(Sc3ncccn3)nc3n(C)c(=O)[nH]c(=O)c23)cc1
62553 CCCOc1ccc(cc1)N1CC(CC1=O)C(=O)NC(C)C
62554 Cc1nn(c(Cl)c1C(=O)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1)-c1ccccc1
62555 CC1CN(C)C(C)CC1n1[nH]c(=O)c2c(C)cc(=O)[nH]c12
62556 CCOC(=O)Cc1nnc2c(Nc3ccccc3F)nc3nonc3n12
62557 COc1ccc(NC(=O)C2CC2)cc1-n1cnnn1
62558 CC(C)c1nc2ccccc2c2nnc(SCC(=O)NCc3ccco3)n12
62559 Cc1cc(C)n(n1)C(=O)CNC(=O)Cc1ccccc1
62560 CC1CCN(CC1)C(c1nnnn1CC1CCCO1)c1cc2cc(C)cc(C)c2[nH]c1=O
62561 COc1cccc(NC(=O)N2CCCC2C(=O)NC(C)C)c1
62562 CCCC(C)NS(=O)(=O)c1ccccc1
62563 O=S(=O)(N1CN2CCN(C2)C1)c1ccccc1
62564 CC(=O)Nc1ccc(Cc2ccncc2)cc1
62565 CCOC(=O)c1cc2occc2n1CC(=O)N1CCCc2ccccc12
62566 [H]C12CCC([H])(CC(C1)NC(=O)Nc1ccccc1)N2
62567 CC(C)OC(=O)Cn1c2ccccc2oc1=O
62568 Cc1cccc(Nc2ncccc2C(O)=O)c1C
62569 COCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1
62570 CCSc1nnc(o1)-c1ccc(cc1)S(=O)(=O)NCc1cccs1
62571 Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)c2ccc(F)cc2)o1
62572 COc1ccc(OC)c(NC(=O)CSCC(O)=O)c1
62573 CC(C)(C)n1nnnc1CN1CCC(CC1)NC(=O)NC1CCCCC1
62574 CNC(=O)Cn1nc(C)c2ccccc2c1=O
62575 Cc1ccc(o1)-c1nnn[nH]1
62576 COc1cc2cc(CN(C3CCCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1OC
62577 O=[#6]1-[#8]C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#8]-[#6](=O)\[#6]-1=[#6]/[#7]-c1nccs1
62578 COc1ccc(NCc2nnc(SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)o2)cc1
62579 CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1
62580 CCOC(=O)C1C(C2=C(CC(C)(C)CC2=O)OC1=N)c1ccccc1OCC#N |t:7|
62581 Clc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)N(Cc1cccs1)C1CC1
62582 COc1ccc(C(=O)CC=Nc2cc(C)on2)c(OC)c1 |w:10.10|
62583 O=C(NC1CCCCC1)C1CCN(CC1)c1nccs1
62584 CCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C
62585 COc1ccc(O)c(c1)-c1c(C)[nH]nc1-c1ccc(Cl)cc1 |(9.24,-4.65,;9.24,-3.11,;7.91,-2.34,;6.57,-3.11,;5.24,-2.34,;5.24,-.8,;3.91,-.03,;6.57,-.03,;7.91,-.8,;6.57,1.51,;5.33,2.41,;3.86,1.94,;5.8,3.88,;7.34,3.88,;7.82,2.41,;9.28,1.94,;9.61,.43,;11.07,-.04,;12.21,.99,;13.68,.51,;11.89,2.49,;10.43,2.97,)|
62586 O=C1NC(=O)C(=CNCCN2CCNCC2)C(=O)N1Cc1ccccc1 |w:6.6|
62587 Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2CC(C)(C)OCc12
62588 O=C1CCC(=O)N1CNc1ccccn1
62589 CCOC(=O)CSC1=NC2=C(C(C1C#N)c1ccccc1C)C(=O)CCC2 |c:9,t:7|
62590 Nn1c(n[nH]c1=S)-c1cccc(Br)c1
62591 CCN1C(C(=O)c2ccccc2)=C(O)c2ccccc2S1(=O)=O |t:12|
62592 null
62593 CC(C)NC(=O)N(O)C1N(Cc2ccc3OCOc3c2)C(=S)SC1(C)C
62594 Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc12
62595 Brc1cnc(NC(=O)CN2CCN(CC2)C(=O)c2ccccc2)c(Br)c1
62596 CCCCCSc1nc(C)c(CC(O)=O)c(=O)[nH]1
62597 Cc1ccc(c(C)c1)-n1ncc2c(NCc3ccc4OCOc4c3)ncnc12
62598 CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCSCC3)c12
62599 CCOC(=O)c1c(CN(C)C)n(C)c2ccc(OC(C)=O)cc12
62600 CN1CCc2c(C1)sc1c2c(=O)n(-c2ccc(Cl)cc2)c2nncn12
62601 O=C1OC(N2CCN(C\C=C\c3ccccc3)CC2)c2ccccc12
62602 Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)c1
62603 CCC(C)[C@H](NC(=O)NCc1cccc(OC)c1)C(O)=O
62604 CCOC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C
62605 COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2cccc(Cl)c2)cc1OC
62606 O=C(N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1)c1ccco1
62607 CCCOc1ccc(cc1)C(=O)C1C(N(CCN(C)C)C(=O)C1=O)c1ccc(O)c(OC)c1
62608 CCn1c(SCC(=O)Nc2ccc(cc2)N(C)C)nnc1-c1cccc(C)c1
62609 Cn1c2cn(cc2c(=O)n(C)c1=O)-c1ccc2OCCOc2c1
62610 CC1CCN(CC1)c1cc(C)nc2c(cnn12)-c1ccccc1
62611 COc1cc2CCn3c(cc(Nc4ccc5OCCOc5c4)nc3=O)-c2cc1OC
62612 CC1CC(c2ccccc2)n2nc(NC(=O)c3cccs3)nc2N1
62613 COCCOC(=O)Cc1nc(O)cs1
62614 CCN1C(C)C2(Cc3c1nc1c(C)cccn1c3=O)C(=O)N(C)C(=O)N(C)C2=O
62615 CN=C(SCc1cc2OCOc2cc1Cl)C1C(=O)N(C)C(=O)N(C)C1=O |w:1.0|
62616 Cn1c2NC(=O)C(CC(=O)Nc3ccccc3)c2c(=O)n(C)c1=O
62617 O=C(Nc1ccc2n(cnc2c1)C1CCCCC1)c1ccco1
62618 OC(=O)CC1SC(=O)N(Cc2ccccc2)C1=O
62619 CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
62620 Cc1cc(nc(SCc2ccc(o2)C(O)=O)n1)C(F)(F)F
62621 CCOC(=O)N1CCN(CC1)c1nc(C)c2C(=O)CCCc2n1
62622 CN1CCN(CC(=O)n2c3CCCCc3c3ccccc23)CC1
62623 COc1cccc(c1)N(C(=O)c1cccs1)c1nc2ccccc2s1
62624 Cc1cc(NC(=O)c2ccc3nc(C)sc3c2)no1
62625 Cn1ccnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
62626 COc1ccc(cc1OC)-c1csc(n1)C(C#N)C(=O)CSc1nccn1C
62627 O=C(COC(=O)C1=COCCO1)Nc1ccc2OCOc2c1 |t:6|
62628 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)c1ccc(N)cc1 |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
62629 CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(cc1)S(=O)(=O)N(C)C
62630 O(c1nnnn1-c1ccccc1)c1ccc(cc1)-c1nnco1
62631 COc1ccc(OCC(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)cc1
62632 C1CNC(C1)c1ccc2OCCCOc2c1
62633 CCN(CC)S(=O)(=O)c1cccc(c1)-c1nnc(SCC(N)=O)n1CCc1ccccc1
62634 Brc1ccc2nc(COC(=O)C3COc4ccccc4O3)cc(=O)n2c1
62635 COc1cc(CCC(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC
62636 Cc1ccc(NC(=O)NC2=N\C(=C(\C#N)C(=O)N3CCCC3)c3ccccc23)cc1 |t:9|
62637 CP(=O)(Nc1ccccc1F)Oc1ccccc1
62638 CCn1c(nc2ccccc12)C(C#N)=C(NS(=O)(=O)c1cccs1)c1ccccc1 |w:11.12|
62639 CC1CN(CC(C)O1)C(=O)COC(=O)c1oc2ccc(Br)cc2c1C
62640 CCCCn1c2nc(CO)n(CCC)c2c(=O)n(CC(=O)Nc2c(CC)cccc2CC)c1=O
62641 c1csc(c1)-c1nnsc1-c1nc2ccccc2[nH]1
62642 CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1
62643 Cc1[nH]n(CCC#N)c(=O)c1CC(=O)N1CCN(CC1)c1ccccc1
62644 C(C#Cc1ccccc1)N1CCN(CC1)c1ccccn1
62645 Fc1ccc2c(Cl)c(sc2c1)C(=O)OCC(=O)N1CCN(CC1)C(=O)c1ccco1
62646 CC(O)c1nc2ccccc2n1Cc1nnc(o1)-c1ccc(Cl)cc1
62647 CCC(C)n1c(SC(C)C#N)nc2ccccc2c1=O
62648 Cc1onc(c1C(=O)Nc1sc2CCCc2c1C(N)=O)-c1ccccc1
62649 O=C(CCCOc1ccccc1)Nc1nccs1
62650 Cc1noc(C)c1CSc1ncnc2sc3CCCc3c12
62651 COc1ccccc1CN(C)C(=O)C1COc2ccccc2O1
62652 N=C1C(CC(=O)N1c1ccc(Oc2ccccc2)cc1)C#N
62653 Cc1noc(NS(=O)(=O)c2ccc(cc2)N2Cc3ccccc3C2=O)c1C
62654 O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)NCc1cccnc1
62655 CCC1=CC(=CNC2CCCCC2)C(=O)S1 |w:5.5,t:2|
62656 CC1CCCCN1CCNC(=O)CCn1nc(ccc1=O)-c1ccc(C)cc1
62657 OC(=O)CCC1(OCCc2ccccc12)C(O)=O
62658 CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1
62659 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NC(C(C)C)C(=O)NCc1ccc(C)cc1
62660 O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCc1cccs1
62661 COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=O)[nH]c2ccccc2c1=O
62662 COc1ccc(cc1OC)-c1nc2N=C3CCCC(=O)C3C(c3ccccc3)n2n1 |t:14|
62663 C1CN(CCO1)c1ccc(C=Nn2cncn2)cc1
62664 O=C(NCc1ccc2OCOc2c1)c1cc2CS(=O)(=O)Cc2s1
62665 OC(=O)c1ccn(Cn2cnc3ccccc23)n1
62666 Cc1cccc(CN2CCNC2=O)c1
62667 CC(C)(C)n1ncc2c1ncn(CC(=O)OCc1ccccc1)c2=O
62668 CCN(c1ccccc1)S(=O)(=O)c1c[nH]cn1
62669 COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1
62670 Cc1ccc(cc1)S(=O)(=O)N1CCN(C1)S(C)(=O)=O
62671 Oc1ccccc1-c1nnc(o1)-c1ccc(cc1)C(F)(F)F
62672 [H]C12OC3(CN(CC(=O)OCC)C(=O)C3C1C(=O)NC1CCCCC1)C=C2 |c:28|
62673 OC(COc1c(F)cc(Br)cc1F)CN1CCN(CC1)c1ccc(F)cc1
62674 Cn1c(C(O)=O)c(CC(=O)Nc2ccc3OCCOc3c2)c2ccccc12
62675 COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)C(=O)CC(C)C
62676 COc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1
62677 Cc1ccc2OCC(=O)N(CC(O)=O)c2c1
62678 COC(=O)C1CCN(CC1)C(=O)c1sc2nc(cn2c1C)-c1ccccc1
62679 Fc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)cc1
62680 O=S(=O)(Nc1ccc2OCCOc2c1)c1cccc2nsnc12
62681 COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC
62682 Cn1cc(CN2CCc3ccccc3C2)c2ccccc12
62683 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2NC(=O)COc2c1
62684 CCOC(=O)N1CCN(CC(O)COC2CC(C)CC(C)(C)C2)CC1
62685 CN1c2cc(ccc2Sc2ccccc2C1=O)C(=O)N1CCC2(CC1)OCCO2
62686 COc1ccc(Br)cc1CNC(=O)CCN1C(=O)COc2ccccc12
62687 CCOc1ccc(NC(=O)c2cccnc2C(O)=O)cc1
62688 O=C(CCCCCn1c(=S)[nH]c2cc3OCOc3cc2c1=O)N1CCN(CC1)C(=O)c1ccco1
62689 COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1
62690 Cc1ccc(NC(=O)NCC(N2CCOCC2)c2cccnc2)cc1
62691 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1csc(C)n1
62692 CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCCC(=O)Nc1ccccc1C
62693 CCCCn1c(nc2ccccc12)N(CCOC(C)=O)C(C)=O
62694 CCCCOC(=O)CSCC(=O)Nc1cc(C)on1
62695 CC1CCCN(C1)S(=O)(=O)c1ccc(Br)s1
62696 CN(C)C(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1Cl
62697 O=C(COC(=O)c1cccs1)c1ccc2OCCOc2c1
62698 O=C(NCCCN1CCCC1=O)c1cccc(c1)N1CCCC1=O
62699 Nc1scc(c1C#N)-c1ccc2OCOc2c1
62700 CCCC1N(CCn2c(C)ccc12)C(=O)Nc1ccc(F)cc1
62701 Clc1ccc(Cn2nnc3c2ncn(CC(=O)N2CCCc4ccccc24)c3=O)cc1
62702 CCC(C)NC(=O)C1(C)CCC(=O)N1Cc1ccccc1OC
62703 CC1(C)CC(=O)C(CCC(=O)c2ccccc2)C(C)(C)N1
62704 COc1ccc(cc1OC)C(=O)NCc1nnc(SCC(=O)N2CCC(C)CC2)o1
62705 CC(C)C(=O)N1C(C2C(=O)CCCC2=Nc2ccccc12)c1ccc(cc1)N(C)C |c:14|
62706 O=C(Nc1cccnc1)c1noc2CCCCCc12
62707 CC(C)N1C(C(=O)N(CC1=O)C1CCCCCC1)c1ccccc1F
62708 Nc1nonc1-c1noc(n1)-c1ccccc1Br
62709 COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1
62710 CCOC(=O)c1ccc2ncc(C(C)=O)c(O)c2c1
62711 Fc1ccccc1N1CCN(CC1)C(=O)c1c(F)cccc1F
62712 Cc1nc2ccc(NC(=O)N3CCSCC3)cc2s1
62713 Cc1[nH]n2c(nc(C)c(Cl)c2=O)c1-c1ccccc1
62714 OCc1nn2C(CC(Nc2c1Br)c1ccccc1)C(F)(F)F
62715 COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1 |c:4|
62716 CCc1c(C)nc2ccc(C)cc2c1O
62717 CCCOc1ccc(Cn2c3cc(C)ccc3oc2=O)cc1OC
62718 N=C1Oc2[nH]nc(CSc3ccccc3)c2C2(C1C#N)C(=O)Nc1ccccc21
62719 C(Cn1cncn1)Oc1cccc(Oc2ccccc2)c1
62720 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)cc2)c1C
62721 CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1
62722 Cc1ccc(cc1)S(=O)(=O)NC(C)(C)CSc1nncn1N
62723 O=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1
62724 COc1cc(SC)ccc1C(=O)NCC1CCCO1
62725 COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(N)=O
62726 CC1Cc2cc(ccc2O1)C(=O)C1C(N(CC2CCCO2)C(=O)C1=O)c1ccco1
62727 COCc1n[nH]c2OC(=N)C(C#N)C3(CCSCC3)c12
62728 CN(C)S(=O)(=O)N1CCN(CC1)C(=O)N1CCCCC1
62729 Nc1nc2CCCn2c1C(=O)c1ccccc1
62730 C=CCN(CC=C)C(=O)CCC(=O)N(CC=C)CC=C
62731 CCOC(=O)c1ccc(NC(=O)CC2COc3ccccc3O2)cc1
62732 Cc1ccccc1Cn1ccc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)n1
62733 CCCc1nc(-c2ccccc2O)n(n1)-c1ccccc1
62734 O=C(N1CCC2(CC1)OCCO2)c1ccc2OCOc2c1
62735 S=c1[nH]nc(-c2ccncc2)n1Cc1ccco1
62736 COc1ccc(cc1)-n1ncc2c(NCCCN3CCOCC3)ncnc12
62737 OC(=O)C1CCCCC1C(=O)Nc1cccc(c1)C(=O)N1CCCCC1
62738 CC(N1C(=O)c2ccccc2C1=O)C(=O)N1CC(C)OC(C)C1
62739 Oc1ccc(O)n1-c1ccccc1OC(=O)Cc1ccccc1 |(15.13,1.55,;13.66,2.03,;13.19,3.49,;11.65,3.49,;11.17,2.03,;9.71,1.55,;12.42,1.13,;12.42,-.41,;13.75,-1.18,;13.75,-2.72,;12.42,-3.49,;11.08,-2.72,;11.08,-1.18,;9.75,-.41,;8.41,-1.18,;8.41,-2.72,;7.08,-.41,;5.75,-1.18,;5.75,-2.72,;4.41,-3.49,;3.08,-2.72,;3.08,-1.18,;4.41,-.41,)|
62740 O=C(CC1CCCCC1)NCc1ccccn1
62741 CCOC(=O)C1CCN(CC1)C(=O)COc1cc(C)c(Br)cc1C
62742 Cc1cc(C)n(n1)C(CC(O)=O)C(O)=O
62743 Nc1nc(CSc2ncn(n2)-c2ccccc2)cs1
62744 [H]C12CC([H])(C(CNC(C)=O)=C1NC(C)=O)C(C)(C)C2C |c:10,TLB:12:11:16.19:2,20:19:2:5.11,THB:6:5:16.19:2|
62745 O=S(=O)(Nc1ccc2OCCOc2c1)c1cccs1
62746 CN(CC(=O)N1CCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
62747 CCOc1cc(C)c(cc1C)S(=O)(=O)NC1CCCCC1
62748 O=C(C1CCCO1)N1CCC2(CC1)OCCO2
62749 O=C(Nc1ccccc1)N1CCC(CCN2CCCC2=O)CC1
62750 C(c1nnc2sc(nn12)-c1cccs1)c1ccccc1
62751 Cc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1
62752 Cc1cc(C)nc(NS(=O)(=O)c2ccc(cc2)-n2cccc2)n1
62753 COC(=O)c1cccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)c1
62754 COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
62755 Cn1c2cn(Cc3ccc(Cl)cc3)cc2c(=O)n(C)c1=O
62756 CCCC(C)n1[nH]c(=O)c2C(SCC(=O)Nc12)c1ccc(OC)c(OC)c1
62757 O=S(=O)(N1CCCCC1)n1nnc2ccccc12
62758 Nn1c2nnc(SCc3ccccc3)n2c2ccccc2c1=O
62759 CCOc1ccc(cc1Cl)C(=O)C1C(N(CCCn2ccnc2)C(=O)C1=O)c1cccs1
62760 COc1ccc(CC(=O)Nc2cc(C)on2)cc1
62761 Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N1CCCCC1
62762 CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
62763 CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1
62764 C(Oc1cccc(CN2CCN(CC2)c2ccccn2)c1)c1ccccc1
62765 COc1ccc(CCNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC
62766 Oc1ccc(cc1)N1CCN(CC1)c1ccc(NC(=O)Oc2ccccc2)cc1
62767 CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc2OCOc2c1
62768 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1cccc(F)c1
62769 Cc1ccc(SCCCn2cncn2)cc1
62770 COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2)n1C
62771 CCOC(=O)C1CCN(CC1)C(=O)CC(C)c1ccccc1
62772 COc1ccc(cc1)-c1noc(CCC(=O)Nc2ccc(C)c(C)c2)n1
62773 CCOC(=O)c1ccc(NC(=O)N2CCN(CC2)S(C)(=O)=O)cc1
62774 COc1nc(ccc1-c1noc(COc2ccccc2)n1)-c1ccccc1
62775 COc1cc(OC)cc(c1)C(=O)N1CCN(CC1)S(C)(=O)=O
62776 COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)cc(OC)c1OC
62777 COC(=O)Nc1sccc1C(=O)Nc1sccc1C(=O)OC
62778 CCOC(=O)c1ccc(cc1)-n1[nH]c(cc1=O)-c1ccccc1
62779 Cc1ccc(cc1)-c1cc(no1)C(=O)NCCCN1CCOCC1
62780 C(Nc1ccc2OCCOc2c1)c1ccncc1
62781 Cn1c2n(CC(=O)Nc3ccc4CCc5cccc3c45)cnc2c(=O)n(C)c1=O
62782 Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCOCC2)cc1
62783 CC(=O)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccc3cccnc23)cc1
62784 CCOC(=O)CSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1
62785 Fc1ccccc1CSC1=NCCN1C(=O)c1ccco1 |t:10|
62786 CC1=CCc2c(C1)c(O)n(c2O)-c1ccc(C)c(Br)c1 |t:1|
62787 COc1ccc(cc1)-n1c(O)cc(c1O)-c1ccc(OC(C)C)cc1
62788 COc1cc2C(C3N(CCc4ccccc34)C(=O)c2cc1OC)C(=O)NC1CC1
62789 [H]C12OC3(CN(C(C)c4ccc(OC)cc4)C(=O)C3C1C(O)=O)C=C2 |c:26|
62790 CCn1c(SCC(=O)N2CCOCC2)nc(O)cc1=O
62791 COc1cccc(c1)C1CC(c2ccccc2)n2ncnc2N1
62792 O=C(C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1)N1CCCC1 |(8.18,-6.03,;6.85,-5.26,;6.85,-3.72,;5.52,-2.95,;5.52,-1.41,;6.85,-.64,;6.85,.9,;8.18,1.67,;8.18,3.21,;6.64,3.21,;9.72,3.21,;8.18,4.75,;6.85,5.52,;6.85,7.06,;8.18,7.83,;9.52,7.06,;10.9,7.88,;12.29,7.09,;12.29,5.49,;10.9,4.7,;9.52,5.52,;8.18,-1.41,;8.18,-2.95,;5.52,-6.03,;5.36,-7.56,;3.85,-7.88,;3.08,-6.55,;4.11,-5.4,)|
62793 COc1cccc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12
62794 CC(C)CNC(=O)c1noc2CCCCc12
62795 Clc1ccc(nc1)N1C(Nc2ccc3OCCOc3c2)c2ccccc2C1=O
62796 Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1C
62797 CCC(=O)N1C(CSC1c1ccc(OC)cc1)C(=O)N1CCCC1
62798 CCOc1ccc(cc1OC)C1N2CCCC2C(=O)N1c1ccc(F)cc1
62799 Fc1ccc(Cc2nnc(o2)-c2cccs2)cc1
62800 COc1ccccc1N1CCN(Cc2cc(Br)c(O)c3ncccc23)CC1
62801 Cc1ccc(nc1)N1C(Nc2ccccc2F)c2ccccc2C1=O
62802 CCOC(=O)N1CCC(CC1)NC(=O)CN1C(=O)CSc2nc(C)cc(C)c12
62803 OC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)Nc1ccc2OCCOc2c1
62804 CCOCCCNC(=O)c1cc(C)nn1-c1ccccc1
62805 Fc1cccc(c1)C(=O)NC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
62806 CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
62807 CC(C)CCNC(=O)Cn1cc2CCCCCc2n1
62808 COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1OC
62809 CCOC(=O)Cn1c(CCC(O)=O)ccc1-c1ccc(F)cc1
62810 CC1CCc2nc(N)c(C#N)c(-c3cccnc3)c2C1
62811 Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
62812 CCN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1cc2sccc2n1CC
62813 Fc1ccc(CNC(=O)CN2CC(CC2=O)c2ccccc2)cc1
62814 CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1
62815 COc1ccc(cc1OC)C(=O)N1CCN=C1SCc1cccnc1 |c:16|
62816 Cn1c(NC(=O)c2ccccc2NC(=O)C(C)(C)C)nc2ccccc12
62817 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(NC(=O)Nc2nncs2)cc1 |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
62818 Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)(C)C)cc12
62819 CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1
62820 CC(C)C(=O)NCCn1c(C)cc2ccccc12
62821 CCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1CC(C)=C
62822 CCc1nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2c(n1)n(C)c(=O)n(C)c2=O
62823 CCOC(=O)Cn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)[nH]c(=O)c12
62824 CC(=O)Nc1ccc2n(CC=C)c(=NC(=O)C3CC3)sc2c1 |w:13.13|
62825 Fc1ccccc1N1CC(CC1=O)c1nc2ccccc2[nH]1
62826 CN(Cc1ccccc1)C(=O)CCn1c2ccccc2oc1=O
62827 Cn1c2nc(nc(SCC(=O)N3CCCc4ccccc34)c2c(=O)n(C)c1=O)C1CC1
62828 CCN1CCN(CCCNc2ncnc3nc[nH]c23)CC1
62829 COc1cccc(c1)C(N1CCN(CC1)C(=O)c1ccco1)c1sc2nc(C)nn2c1O
62830 CCCCn1c(nc2ccccc12)C(C)NC(=O)CC
62831 CC1CCN(CC1)C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccc(Cl)cc1
62832 FC(F)(F)C1(NC(=O)Nc2ccc3OCCOc3c2)Oc2ccccc2O1
62833 COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)NC1CCCCCC1
62834 COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1
62835 CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CC=C
62836 COc1ccc(CNc2nc3n(C)c(=O)[nH]c(=O)c3n2Cc2ccccc2C)cc1
62837 Nn1c(SCc2ccccc2)nnc1-c1ccco1
62838 CCOC(=O)N1CCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2)CC1
62839 CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12
62840 Cc1onc(c1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1)-c1ccccc1Cl
62841 C1CCC(CC1)Nc1nnnn1C1CCCCC1
62842 Fc1ccc(cc1)S(=O)(=O)NCc1ccccn1
62843 CCOC(=O)Cc1cnc(NC(=O)c2ccccc2)s1
62844 COc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(C)(=O)=O
62845 O=C(CNC(=O)C1CCCCC1)NC1=NCCS1 |t:14|
62846 COc1ccc(Br)cc1CN1CCN(CCO)CC1
62847 Fc1ccccc1-c1nnn(CCC#N)n1
62848 COCCCn1c(nc2ccccc2c1=O)-c1ccco1
62849 Clc1ccc(Cl)c(c1)C(=O)N1CCOCC1
62850 C(CSc1nc2ccccc2o1)Oc1ccccc1
62851 O=C(Nc1ccccc1)OCCOc1ccccc1
62852 CC(C)Cc1ccc(C#N)c(SCC(N)=O)n1
62853 CSC1=N\C(=C/C=C/c2cccs2)C(=O)S1 |t:2|
62854 Cc1ccc(N=Cc2ccc[nH]2)c(O)c1 |w:5.4|
62855 CCOC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
62856 COc1ccc(cc1)C(=O)Oc1ccc(CN=O)cc1
62857 Cc1nn(-c2ccc(C)cc2)c2sc(cc12)C(O)=O
62858 Cc1ccc(cc1)N1CN=c2sc(=Cc3ccccn3)c(=O)n2C1 |t:10|
62859 CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2cccnc2)C(=O)C1
62860 [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccc2OCCOc2c1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
62861 O=C(CSc1ncccn1)NCCc1ccccc1
62862 [H]C12CC(C)(CN1C(=O)CCCN1C(=O)c3ccccc3C1=O)CC(C)(C)C2 |TLB:7:6:2:24.23.27|
62863 COc1cccc(c1)N1C2CS(=O)(=O)CC2N(C1=O)c1ccccc1
62864 COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC
62865 COc1ccc(OC)c(c1)C(=O)c1ccc(cc1)C(O)=O
62866 Fc1ccc(NC(=O)CSc2nnc(COc3ccc4CCCCc4c3)o2)cc1
62867 CCOC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1
62868 CCn1c(n[nH]c1=S)-c1ccc2[nH]c(C)c(C)c2c1
62869 CC1Cc2ccccc2N1C(=O)C12CCC(C)(C(=O)C1)C2(C)C |THB:18:17:20:13.14|
62870 CC(NCCc1ccccc1)=C1C(=O)CSC1=O |w:1.0|
62871 CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
62872 COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCC1CCCO1 |t:14|
62873 OC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
62874 Cc1nc2ccccc2n1-c1ccccc1C |(9.64,-2.05,;8.1,-2.05,;7.2,-3.28,;5.75,-2.82,;4.41,-3.59,;3.08,-2.82,;3.08,-1.28,;4.41,-.51,;5.75,-1.28,;7.2,-.81,;7.68,.66,;6.65,1.8,;7.13,3.27,;8.64,3.59,;9.67,2.44,;9.19,.98,;10.22,-.17,)|
62875 CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I
62876 S=C1NCCN1
62877 NC(=O)CN1CCCC1=O
62878 CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
62879 CN1CCCN=C1\C=C\c1sccc1C |c:5|
62880 Fc1cc(F)cc(c1)-c1oncc1-c1nnnn1-c1ccccc1
62881 Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2nccs2)n1N
62882 CC(NC(=O)c1cccs1)c1nnc(SCC(=O)NCCc2ccccc2)n1CC=C
62883 CCCNC(=O)c1cccc(COCC(F)(F)F)c1
62884 Cc1cc(\C=C2/NC(=O)NC2=O)c(C)n1-c1c(C)cccc1C |(3.08,-1.48,;4.54,-1,;5.02,.46,;6.56,.46,;7.47,1.71,;6.84,3.12,;5.33,3.44,;5.17,4.97,;3.84,5.74,;6.58,5.59,;7.61,4.45,;9.14,4.61,;7.04,-1,;8.5,-1.48,;5.79,-1.91,;5.79,-3.45,;4.46,-4.22,;3.12,-3.45,;4.46,-5.76,;5.79,-6.53,;7.12,-5.76,;7.12,-4.22,;8.46,-3.45,)|
62885 CC(C)(C)c1ccc(OC(=O)c2cccnc2)cc1
62886 CCN(CC)C(=O)c1ccc(cc1)-c1ccccc1
62887 CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(CN(CC)CC)ccc12
62888 CCS(=O)(=O)N1CCN(CC1)C(=O)c1ccccc1
62889 COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1
62890 Oc1cc(N2CCCCC2)c(O)n1-c1ccccc1
62891 COc1ccccc1N1CCN(CC1)C(c1nnnn1CCc1ccccc1)c1ccc(cc1)N(C)C
62892 O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N1CCC(C1)c1ccccc1
62893 O[N+]1=C(C(=C)N([O-])C2=C1CCC2)c1ccccc1 |c:7,t:1|
62894 CC(CN1CCOCC1)OC(=O)C(c1ccccc1)c1ccccc1
62895 CCC(C)N(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)C(F)(F)F
62896 CC(C)c1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)cc1
62897 Cc1ccnc(n1)N1CCCC(C1)C(=O)NCc1cccs1
62898 Fc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1cccnc1
62899 O=C(NC1CCCC1)C(OC(=O)C1=Cc2ccccc2OC1)c1ccncc1 |t:13|
62900 CC(C)CCNC(=O)C1CCCN1C(=O)NC1CCCCC1
62901 CNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1C
62902 COC(=O)C1(Cc2ccccc2)NC(c2c(O)n(c(O)c12)-c1ccc2OCOc2c1)c1ccccc1C
62903 Clc1ncccc1C(=O)Nc1ccccc1N1CCCC1
62904 Cc1ccc(C)n1NC(=O)c1ccccc1O
62905 Cc1ccc(cc1)N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O
62906 CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4OCCOc4c3)cc12
62907 CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1
62908 CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(n1)N(C)C
62909 CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)cc1
62910 CC(C)(C)c1nc(N2CCN(CC2)C(=O)c2ccco2)c2nnn(Cc3ccccc3)c2n1
62911 CCN(CC)c1ncnc2ccc(Br)cc12
62912 CC1(C)CC(CCO1)NCc1ccc2OCOc2c1
62913 COc1ccc(C=Nc2c(nc3SCCn23)-c2ccc(OC)cc2)cc1
62914 Cc1ccc(cc1)-c1nnn(CC(=O)N(Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)n1
62915 C1CCC2(CC1)Cc1ccccc1-c1nnnn21
62916 COc1ccc(cc1)-n1c(C)c(C(C)=O)c(C(C)=O)c1C
62917 COc1ccc(cc1)-n1c(SCC(=O)NCc2ccco2)ncc1-c1ccc(F)cc1
62918 O=C(CSc1nc2CCCCCc2cc1C#N)N1CCOCC1
62919 NC(=O)C(=C/c1ccc(Br)o1)\C#N
62920 Cc1cc(NC(=O)C2C3C(=O)N(Cc4ccc(Cl)cc4)C(C(=O)NC(C)(C)C)C33OC2(C)C=C3)no1 |c:35|
62921 CC(C)c1ccc(NC2(C#N)C(=O)Nc3ccccc23)cc1
62922 C1CN(CCO1)c1ccc(cc1)-n1cccc1
62923 CCOC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
62924 Cc1ccccc1NC(=O)c1ccc2OCCOc2c1
62925 S=c1[nH]nc(-c2cnccn2)n1-c1ccccc1
62926 Nc1ccc2nc([nH]c2c1)-c1ccccn1
62927 CN1CCC(CC1)OC(=O)COc1cccc(C)c1
62928 CCc1ccc(cc1)C(=O)COC(=O)CNC(=O)c1cccs1
62929 CC(=O)C1C(N(C(=O)C1=O)c1ccc(C)cc1)c1ccccn1
62930 COc1ccc(Cn2nnnc2CN2CCc3ccccc3C2)cc1
62931 Clc1ccc(OCC(=O)N2CCCC2)cc1
62932 CC(C)(C)C1CCc2c(C1)sc(NC(=O)CSc1nnc[nH]1)c2C#N
62933 CCCCN1C(=O)C(CC(=O)NCC)S\C1=N/c1ccccc1
62934 CS(=O)(=O)N(CC(=O)NCc1ccccc1)C1CCCCC1
62935 COC(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:16|
62936 Cc1ccc2nc([nH]c2c1)-c1sc2nc(C)cc(C)c2c1N
62937 CCCCC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OC
62938 Cc1ccc2c(N)c(sc2n1)C(=O)N(c1ccccc1)c1ccccc1
62939 COc1ccccc1CNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
62940 COc1ccc(CNC(=O)OCCN2CCN(CCC2=O)S(=O)(=O)c2ccc(C)cc2)cc1
62941 CCOC(=O)c1cnn(c1-n1cccc1)-c1ccccc1
62942 Cc1cc(C)c2nc(c(C#N)c(N)c2c1)C(F)(F)F
62943 CC(N1CCOC1=O)S(=O)(=O)c1ccccc1
62944 COc1cc(N)ccc1C(O)=O
62945 CS(=O)(=O)N1CCN(CC1)c1cccc(Cl)n1
62946 Cc1cc(C)nc(c1)-n1c(C)nc2cc(Cl)ccc2c1=O
62947 CN(C)C(=S)Oc1c(C)cc(cc1C)C(=O)CSc1ccc(F)cc1
62948 Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccncc1
62949 CCC(=O)N(CCC(c1ccco1)c1ccccc1OC)Cc1cccs1
62950 Cn1c2ccccc2n(CC(O)c2ccccc2)c1=N
62951 CCn1c2nncn2c2sc3CCCc3c2c1=O
62952 COc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
62953 CCC(=O)Nc1cc(ccc1N1CCOCC1)-c1nn(CC(=O)N2CCCCC2)c(=O)c2ccccc12
62954 CC1CCN(CC1)c1nc2ccc(cc2s1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
62955 COC(=O)c1cn(NC(=O)CCC2CCCC2)c(=O)c2ccccc12
62956 COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3NC(=O)CCc3c2)c(OC)c1
62957 CCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12
62958 COc1cc(C=NN=C(Nc2ccc(C)cc2)c2nc3ccccc3s2)ccc1O |w:7.6,5.4|
62959 Fc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1F
62960 Cc1ccc(cc1)C1N2CCCN2C(=S)N1c1ccccc1
62961 CSCCC(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1
62962 CCOc1cc(NC(=O)c2cccnc2Cl)c(cc1OCC)C#N
62963 COc1ccc(NC(=O)C(NC(=O)CNC(C)=O)c2ccc(C)cc2)cc1
62964 COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 |t:13|
62965 COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1
62966 CN(C)S(=O)(=O)c1ccc(s1)-c1csnn1
62967 Cc1cc(C)nc(NC(=O)COc2cc(Cl)cc(Cl)c2)n1
62968 O=C(N1CCN(CC1)c1ccccc1)c1cc2COc3ccccc3-c2s1
62969 COc1ccc(cc1)-c1nc(CNS(=O)(=O)c2ccc(OC)c(OC)c2)cs1
62970 Cc1ccccc1-n1c(=O)cc([nH]c1=O)N1CCc2ccccc12 |(11.65,2.02,;10.63,3.17,;11.1,4.63,;10.08,5.78,;8.57,5.46,;8.09,4,;9.12,2.85,;8.64,1.39,;7.13,1.07,;6.1,2.22,;6.65,-.39,;7.68,-1.54,;9.19,-1.22,;9.67,.24,;11.18,.56,;7.2,-3,;8.1,-4.24,;7.2,-5.48,;5.75,-5.01,;4.41,-5.78,;3.08,-5.01,;3.08,-3.47,;4.41,-2.7,;5.75,-3.47,)|
62971 CCC(NC(=S)NCc1ccccc1)C(O)=O
62972 COC(=O)c1cn[nH]c1NC(=S)Nc1ccc(Cl)c(Cl)c1
62973 Cc1cc(=O)n2nc(sc2n1)-c1ccc(cc1)C(F)(F)F
62974 COC(=O)c1cc(COc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)o1
62975 Oc1cc(N2CCC(=CC2)c2ccc(F)cc2)c(O)n1-c1ccc(F)cc1 |c:7|
62976 COCCCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12
62977 CN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cccnc3Cl)ccc2n1
62978 CC(C(=O)NCCCc1ccccc1)n1nc(C)n2c3ccoc3cc2c1=O
62979 Cn1c2ccccc2c2cnn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c12
62980 Cc1ccc(o1)-c1nc2cnccn2c1Nc1c(C)cccc1C
62981 CCCCOc1ccc(cc1)C1N(CC2CCCO2)C(=O)CN(C2CCCCC2)C1=O
62982 COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
62983 C(c1nc2ccccc2o1)c1ccccc1
62984 CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1
62985 COc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1
62986 OCCN(Cc1ccccc1)Cc1cccc(Cl)c1Cl
62987 Fc1ccc(CNC(=O)CCc2nc(no2)-c2cccs2)c(Cl)c1
62988 CCCCn1c(N)nc2ccccc12
62989 Cc1c(NC(=O)C2CC(=NO2)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C |c:8|
62990 NC(=O)c1sc2nc3CCCCCc3c(-c3cccs3)c2c1N
62991 COc1cccc2cc(C(=O)NCc3ccco3)\c(=N\c3ccc(cc3)C(O)=O)oc12
62992 CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1
62993 Cc1cc(C)c(C#N)c(SCC(=O)NC(C)(C)C)n1
62994 CCCN(CCC)C(=O)CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1
62995 CC1(C)CC(=O)C2=C(C1)N(C(=O)CC2c1ccccc1)c1ccc(F)cc1 |c:6|
62996 CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(C)C
62997 CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
62998 COC(=O)c1cc2ccsc2n1Cc1nc(oc1C)-c1ccc(Cl)cc1
62999 Fc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccnc2)cc1Cl
63000 CC(C)c1ccc(NC(=O)Nc2cc3sccc3n2C)cc1
63001 COc1ccc(cc1)N1CCN(CCCn2c(=S)[nH]c3ncccc3c2=O)CC1
63002 CCCCn1c(SCC(=O)NCc2ccco2)nc2c3ccccc3sc2c1=O
63003 CCN1CCN(CCNC(=O)CCCCCn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)OC)CC1
63004 Cc1cc(nc2cc(O)ccc12)N1CCN(CC1)c1ccc(F)cc1
63005 O=C(CN1CCCCC1)Nc1cccc2OCOc12
63006 Cc1oc(cc1COc1ccc2c3CCCc3c(=O)oc2c1C)C(O)=O
63007 OC(=O)CSc1ccccc1C(O)=O
63008 CCOc1cc(OCC)cc(c1)C(O)=O
63009 CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1sccc1C(N)=O
63010 Cc1nnc(s1)N1C(=O)c2cccc3cccc(C1=O)c23
63011 CCOC(=O)c1c(C)nc2c(C)cccn12
63012 CCCC(=O)c1c(NCC=C)cc(C)oc1=O
63013 CCOC(=O)c1ccc(Oc2nc(NC)nc(Nc3ccccc3)n2)cc1
63014 CCN(c1ccc(OC)cc1)c1ncnc2nc[nH]c12
63015 Cc1ccc(cc1)C(=O)NCCn1cc(SCC(=O)N2CCOCC2)c2ccccc12
63016 CC(N=O)C(NO)c1cccs1
63017 Cc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(Cc2ccccc2)CC1
63018 Cc1cc(cc(C)c1NC(=O)CN1CCOCC1)C1(CCCCC1)c1cc(C)c(NC(=O)CN2CCOCC2)c(C)c1
63019 Cc1nccn1Cc1cccc2ccccc12
63020 CCOC(=O)n1c(SCC(N)=O)nc2ccccc12
63021 COc1ccc(cc1)N1CCN(CC1)c1oc(Cc2ccccc2)nc1C#N
63022 CC(C)(C)OC(=O)C1C(C(C(=O)OC(C)(C)C)C(C)(O)CC1=O)c1cccnc1
63023 CCOC(=O)C(C)c1ccc2cc(OC)ccc2c1
63024 O=C(\C=C1/C(=O)Nc2ccccc12)c1cccs1
63025 N=C1C(C#N)=C2CCC(CC2C(c2cccnc2)C1(C#N)C#N)c1ccccc1 |t:4|
63026 ClCC(=O)N(c1c[nH]c2ccccc12)c1ccc(Cl)cc1
63027 CCOC(=O)C1C(C(C)C(=O)c2ccc(C)cc2)C(C)(C)OC1=O
63028 CCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O
63029 Cc1ccccc1-c1nc2sc3CCCCc3c2c(=O)n1N
63030 CCOc1ccccc1-n1c2c[cH-]cc[n+]2c(C(=O)Nc2ccc(C)cc2)c1=S |(3.08,-5.98,;4.59,-6.3,;5.62,-5.15,;7.12,-5.47,;7.6,-6.94,;9.11,-7.25,;10.14,-6.11,;9.66,-4.64,;8.15,-4.33,;7.67,-2.86,;6.22,-2.39,;4.88,-3.16,;3.55,-2.39,;3.55,-.85,;4.88,-.08,;6.22,-.85,;7.67,-.38,;8.15,1.08,;7.12,2.23,;9.66,1.4,;10.14,2.86,;11.64,3.18,;12.12,4.64,;11.09,5.79,;11.57,7.25,;9.59,5.47,;9.11,4.01,;8.57,-1.62,;10.11,-1.62,)|
63031 O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc2OCOc2c1
63032 CC(C)Nc1nnc(SCC(=O)c2cc(C)n(CC=C)c2C)s1
63033 N[n+]1cnn[c-]1\[NH+]=N\[CH-]c1ccc(Cl)c(c1)[N+]([O-])=O
63034 CC1CCC2(CC1)N=C(N)Nc1nc3ccccc3n21 |t:8,(9.02,-4.33,;9.02,-2.79,;7.69,-2.02,;7.69,-.48,;9.02,.29,;10.35,-.48,;10.35,-2.02,;10.35,1.06,;10.35,2.6,;11.69,3.37,;9.02,3.37,;7.69,2.6,;6.23,3.07,;5.33,1.83,;3.74,1.69,;3.08,.24,;4.02,-1.05,;5.6,-.87,;6.23,.59,;7.69,1.06,)|
63035 C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1cc(C)on1
63036 Oc1ccc(cc1C=NNC(=O)Cn1nc2ccccc2n1)[N+]([O-])=O |w:8.9|
63037 [H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)OCC(=O)NC(=O)c1cccn1C |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
63038 FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)NCc1ccco1
63039 Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1
63040 C=CCn1c(n[nH]c1=S)-c1cccc2ccccc12
63041 NC(=S)N[N-][CH+]c1cc(ccc1OCCOc1ccccc1)[N+]([O-])=O
63042 CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)Nc1cccc(c1)C(F)(F)F
63043 Cc1sc2nc(C)nc(NCc3ccco3)c2c1C
63044 Nn1c(SCC(=O)NC2CCCC2)nnc1-c1ccccc1F
63045 Clc1ccc(cc1)S(=O)(=O)Nc1ccncc1
63046 COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccccc2)cc1Br
63047 Cc1cc(C(=O)[C-](C(=S)Nc2ccccc2)[n+]2ccccc2)c(C)n1-c1ccccc1
63048 CC1CC1C(=O)OCC(=O)NCc1ccc(Cl)cc1Cl
63049 Cc1nn(c(N)c1C(O)(CSc1nccn1C)C(F)(F)F)-c1ccccc1
63050 CC(=O)COc1ccccc1OC(=O)c1ccco1
63051 COc1cc(OC)c(C=NNC(=S)NCC2CCCO2)cc1OC |w:9.9|
63052 Cc1cc(C)c2CCCC(=NNS(=O)(=O)c3ccc(Br)cc3)c2c1 |w:10.10|
63053 Fc1ccccc1S(=O)(=O)NCC(=O)Nc1ccc(cc1)N1CCOCC1
63054 O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCCC1
63055 OP(=O)(c1nccn1-c1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccccc1
63056 Cc1nn(c(C)c1C=NNS(=O)(=O)c1ccc(C)cc1)-c1ccccc1 |w:8.9|
63057 CN(C)c1ccc(CN=Nc2ccc(nn2)-n2ccnc2)cc1 |w:9.9|
63058 CCN1CC2(C=CC(=O)C(C1)(C2CC(=O)c1ccccc1)[N+]([O-])=O)[N+]([O-])=O |c:5,TLB:8:7:11:2.10.3|
63059 C\C(\C=C(/NC(=O)c1ccccc1)C(=O)NNC1=c2cc(C)ccc2=NC1=O)=C/c1ccccc1 |c:18,26|
63060 CCOc1ccc(C=NNC(=O)c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)cc1
63061 CCc1cc(C)cc(OCCNC(=O)c2cncc(Br)c2)c1
63062 Cc1c(Cl)cccc1NC(=O)c1cccc(OC(F)F)c1
63063 CC(C)n1c(C)cc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C
63064 COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+]([O-])=O)cc(c2)[N+]([O-])=O)cc1
63065 CC1CCc2c(C1)scc2C(=O)NNC(=S)Nc1ccccc1C
63066 CCOc1cc(CNc2ccc3OCCOc3c2)cc(Br)c1OCC
63067 COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1
63068 [H]C12CC3([H])CC([H])(C1)CC(CNC(=O)COC(=O)Cc1ccsc1)(C2)C3 |TLB:8:1:26:6.9.5,THB:2:3:9:1.25.8,2:1:9:3.26.5|
63069 COc1ccccc1NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C
63070 CN(C(=NS(=O)(=O)c1ccccc1)C(F)(F)F)c1ccccc1
63071 CCN(CC)C(=O)C1CCCN(C1)c1ccc(cc1[CH+][N-]NC(=O)c1ccc(cc1)[N+]([O-])=O)[N+]([O-])=O
63072 NC1=c2c(N)c(C#N)c(N)nc2=C2C(CC(=O)N=C2S1)c1ccccc1 |c:1,18,t:12|
63073 [O-][N+](=O)c1ccc(cc1)C(=O)Oc1cccc(c1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
63074 N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(N)=O)o1
63075 CCCCN(Cc1ccco1)C(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O
63076 Clc1cccc(NC(=O)c2snnc2-c2ccccc2)c1Cl
63077 Cc1nnc(-c2cnn(c2N)-c2ccccc2)n1Cc1cccc(c1)C(F)(F)F
63078 Clc1ccccc1OC(=O)c1ccc(nc1)-n1cncn1
63079 COc1ccc(cc1)-c1nc2ccccc2c(=O)n1-c1cccnc1
63080 COc1ccc(\C=C\C(=O)Oc2ccc(C=NNC(=O)COc3c(C)cccc3C)cc2)cc1
63081 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CCC(=O)OCC(=O)c2ccc(OC)cc2)C1=O |TLB:30:9:2:7.5,6:5:10.9:2,THB:8:7:10.9:2,11:10:2:7.5|
63082 O=C(CSc1ccccc1)Nc1cccc(NC(=O)c2ccco2)c1
63083 CN1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12
63084 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccn1
63085 CCOc1n(CC)nc2cc(ccc12)C(=O)NCc1ccccc1OC
63086 COc1ccc(OC)c(Nc2nc(cs2)-c2sc(NC(=O)C(C)(C)C)nc2C)c1
63087 [O-][N+](=O)c1ccc(cc1)[C+]1[N-]OC2(CN(Cc3ccccc3)CC12)C(=O)NCc1ccccc1C(F)(F)F
63088 CCCCNC(=O)c1onc(CSc2cccc(Cl)c2)c1C(O)=O
63089 OC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCC1CCCO1
63090 [H]C12CC3([H])CC([H])(C1)CC(CCOC(=O)C[n+]1cccc(c1)C(N)=O)(C2)C3 |TLB:8:1:27:6.9.5,THB:2:3:9:1.26.8,2:1:9:3.27.5|
63091 CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCC(C=O)=C2Cl |c:26|
63092 [H]C12CCC([H])(CC(C1)NC(=S)Nc1ccc(C)c(C)c1)N2Cc1ccco1
63093 Clc1ccc(cc1)C(N(C(=O)CCCC(=O)Nc1ccccn1)c1ccc2OCCOc2c1)C(=O)NC1CCCCC1
63094 COc1ccc(NC(=S)N2CCC(CC2)c2nc3ccc(Cl)cc3[nH]2)c(OC)c1
63095 CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccc2OCOc2c1
63096 COc1ccc(cc1OC)C(=O)N\C(=C/c1cccs1)c1nc2ccccc2[nH]1
63097 COc1ccc(OC)c(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C
63098 COc1ccc(OC2C(N(Cc3ccc4OCOc4c3)C2=O)c2sccc2C)cc1
63099 COc1ccc(cc1)-c1csc(n1)N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1
63100 Fc1ccc(cc1)C(OC(=O)c1cccs1)C(=O)NCC1CCCO1
63101 CNC(=O)C(=C\c1ccc(o1)-c1ccc(OC)cc1[N+]([O-])=O)\C#N
63102 CCOc1ccc(NCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1
63103 COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NN=Cc1ccc(O)c(OC)c1 |w:20.21|
63104 COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(OCc2ccccc2)cc1
63105 FC(F)(F)c1cccc(\C=C(\C#N)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)c1
63106 COc1cccc(c1)C(=O)c1c[nH]c(c1)C(=O)NCc1ccco1
63107 COC(=O)c1nn(-c2cccc(c2)C(F)(F)F)c(=O)cc1Sc1ccccn1
63108 Cc1ccc(cc1)-n1cc(cn1)C(=O)c1ccccc1O
63109 Cc1cc(C)c2c(n1)sc1c2nc(SCc2ccccc2)[nH]c1=O
63110 CCN(CC)C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O
63111 FC(F)(F)c1cnc(N2CCN(CCOC(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1
63112 O=S(=O)(Cc1cc(Oc2ccccc2)nc(n1)-c1ccccc1)c1ccccc1
63113 FC(F)(F)c1cccc(CN2C(=O)C3CCCN3c3ccc(cc23)S(=O)(=O)N2CCOCC2)c1
63114 CNC(=O)C(=O)c1cc(C)n(c1C)-c1ccc(N2CCOCC2)c(Cl)c1
63115 Cc1ccc(cc1)C(=O)NC(=Cc1ccc(Br)cc1)c1n[nH]c(=S)[nH]1 |w:11.12|
63116 On1c(nc2cc(Cl)ccc2c1=O)-c1cccc(c1)C(F)(F)F
63117 Clc1ccccc1C(=NS(=O)(=O)c1ccccc1)N1CCOCC1
63118 COc1ccc(CC2SC(=NN=Cc3ccco3)N(CC=C)C2=O)cc1
63119 CCOC(=O)c1ccc(cc1)N=CCC(=O)c1ccc(OC)cc1 |w:11.11|
63120 COc1ccc(\C=C\C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1
63121 Cc1cc(C)nc(NC(=O)c2ccc(C)c(c2)[N+]([O-])=O)n1
63122 CCC(Sc1nc(C)cc(C)n1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1 |c:18,t:16|
63123 COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1cccc(OC)c1
63124 COc1ccc(cc1Br)C(=O)NC(=S)NCCO
63125 COc1ccc(Cn2c(SC)nc3ccccc23)cc1[N+]([O-])=O
63126 CCCCN(c1ccccc1)c1ncnc(N)c1[N+]([O-])=O
63127 COc1ccc(NC(=S)Nc2ccc(F)cc2)c(OC)c1
63128 Cc1ccc(cc1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
63129 CN(C1C(=O)C(=O)c2ccccc2C1=O)C(C)=O
63130 CCOC(=O)CN1C(=O)S\C(=C\c2cc(C)n(C)c2C)C1=O
63131 CC1(C)Cc2nc3[nH]c(=S)n(-c4ccccc4)c(=O)c3cc2CO1
63132 CCOc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1
63133 Fc1ccccc1\C=C(\NC(=O)c1ccccc1)C(=O)NCCCC(=O)OCc1ccccc1
63134 Cc1ccc(cc1)-n1c(C)nc2ccc(C)c3nc(C)cc1c23
63135 COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)c1ccc(Br)c2cccnc12
63136 O=C(CSC(=S)N1CCOCC1)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
63137 Clc1ccccc1NC(CC(=O)c1ccccc1)C(=O)OCC(=O)c1cccs1
63138 COc1ccc(Nc2ncnc3sc(cc23)-c2ccccc2)cc1
63139 COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1
63140 CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)cc1
63141 [#6]-[#6]-[#7]-1-[#6](=O)\[#6](=[#6]/[#7]-c2ccc(-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c(Br)c2)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-1=S
63142 COc1ccccc1NC1=C(Cl)C(=O)N(C2CCCCC2)C1=O |c:10|
63143 Brc1csc(\C=C(\C#N)C(=O)NCC2CCCO2)c1
63144 CC(C)OC(=O)c1sc2nc(ccc2c1N)-c1ccccc1
63145 COc1ccccc1C(=O)NC(=S)N1CCCc2ccccc12
63146 Cc1cccc(NC2(N=C(NC2=O)c2ccccc2)C(F)(F)F)n1 |c:8|
63147 ClC(Cl)(Cl)C(=O)Nc1cccc2ncccc12
63148 CCn1c2ccccc2n2c1nn(CC(=O)Nc1ccc(cc1)C(C)C)c(=O)c2=O
63149 CCOC(=O)c1cnc2ccccc2c1Nc1ccc2OCCOc2c1
63150 CC(C)(C)C(=O)NC(=S)NNC(=O)c1sc2ccccc2c1Cl
63151 Clc1ccc(cc1)-n1c(CCc2ccccc2)nnc1SCC(=O)c1ccccc1
63152 Clc1ccc(CN2CCN(CC2)C(=S)NCCc2ccccc2)cc1Cl
63153 CCOc1cc2CC(=O)N(C(c3ccc(OC)cc3)c2cc1OCC)c1ccccc1
63154 Cc1nc(cn1-c1ccc(N)cc1)[N+]([O-])=O
63155 CC(=NNS(=O)(=O)c1ccccc1)c1ccc2OCCOc2c1 |w:2.2|
63156 ONC(=N)CC(=O)Nc1ccc(F)cc1
63157 Cc1ccccc1OCC(=O)OCC(=O)c1ccc(cc1)-c1ccccc1
63158 CCOc1ccccc1OCCOCCOc1c(Cl)cccc1Cl
63159 CCOC(=O)N1CCN(CC1)C(=O)C1CCN(Cc2ccc(OC)cc2OC)CC1
63160 COc1ccc(O)c(c1)C1=Nc2ccccc2N=C(C1)c1cccs1 |c:19,t:10|
63161 CCCn1c2ccccc2c2nnc(SCc3[nH]c(=O)[nH]c3C(=O)CCCCC(=O)OCC)nc12
63162 Fc1ccc(N2C(=N)C(C#N)C(C3=C2CCCC3)(C(F)(F)F)C(F)(F)F)c(F)c1 |c:12|
63163 CCN(CC)C(=S)SCC(=O)Nc1nc(=O)c2ccccc2s1
63164 [#6]-[#6]-[#8]-[#6](=O)-c1cc(-[#6]-[#6])sc1-[#7]\[#6]=[#6]-1/[#6](=O)-[#6]-[#6]-[#6]-[#6]-1=O
63165 COc1cc(C=Cc2nc(N)nc(n2)-c2ccccc2O)cc(OC)c1OC |w:5.4|
63166 CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
63167 Cc1[nH]c2ccccc2c1\C=C\c1nc2ccccc2c(=O)n1-c1cccc(c1)[N+]([O-])=O
63168 Cc1c(Cc2ccccc2)sc(N=Cc2c(O)ccc3ccccc23)c1C(N)=O |w:12.12|
63169 CC(C)c1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1 |w:9.9|
63170 O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccnc1
63171 Cc1cc(O)c(C2=Nc3ccccc3SC(C2)c2ccc(Cl)cc2)c(=O)o1 |t:6|
63172 [O-][N+](=O)c1ccc(cc1)\[NH+]=C\[c-]1sc2ccccc2c1=O
63173 CCOc1ccc2nc(NC(=O)\C=C\c3ccc4OCOc4c3)sc2c1
63174 Cc1cc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1ccc(O)cc1
63175 COC(=O)c1ccc(N\N=N\c2ccc(cc2)C(=O)OC)cc1
63176 Cc1ccc(NC(=O)c2ccc(Nc3c(cc(cc3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)cc2)cc1
63177 CCCCN1CNC(=S)N(C1)c1ccc(cc1)C(=O)OCC
63178 OC(=O)CCCNC(=O)CCCNC(=O)C(c1ccccc1)c1ccccc1
63179 CC(CCc1ccccc1)NC(=O)c1cccc(c1)[N+]([O-])=O
63180 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCc2ccccc2C1)c1ccc(Cl)c(Cl)c1
63181 Clc1ccc(cc1)C(=O)Oc1c(oc2ccccc2c1=O)-c1ccccc1Cl
63182 COC(=O)CCC(=O)NNC(=O)c1cccc(Br)c1
63183 CC1=NC(=S)NC(C1C(=O)Nc1ccccc1C)c1cccs1 |t:1|
63184 CN(c1c(C)ccc(c1C)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
63185 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1csc(NC(=O)C(=O)NCc2ccncc2)n1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
63186 CN(C)c1ccc(NC(=O)CC(C)=NNC(=O)Cc2csc(N)n2)cc1 |w:13.13|
63187 COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1
63188 CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
63189 Cc1cccc(NC(=O)c2sc(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)c1
63190 CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2ccc3OCOc3c2)C1=S
63191 CCOc1cc(C=NNC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O |w:7.7|
63192 COc1c([N+]([O-])=O)c(=O)oc2ccccc12
63193 COc1ccccc1C(=O)OCC(=O)c1cccc(c1)[N+]([O-])=O
63194 CC1(C)CC(=CC(C)(C)N1C=O)c1ccc(C=O)s1 |c:4|
63195 COc1ccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)cc1OC |w:7.7|
63196 Nc1nc(Cl)nc(n1)N(c1ccccc1)c1ccccc1
63197 C\C(C=NNC(=O)Cn1cnc2ccccc12)=C/c1ccccc1
63198 C\C(C=NNC(=O)c1cc(C)oc1C)=C/c1ccccc1
63199 CCOC(=O)NN=Cc1ccc(C)s1 |w:6.5|
63200 COc1ccc(cc1)C(N(C(=O)CCl)c1cccc(Cl)c1)C(=O)NC1CCCCC1
63201 O=C(CN1CCN(Cc2ccccc2)CC1)NN=C\C=C/c1ccco1
63202 Fc1ccc(NC(=O)c2cc3nc4CCCCc4c(n3n2)C(F)(F)F)c(F)c1
63203 CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O
63204 Cc1cc(\C=C2/Cc3ccccc3C2=O)c(C)n1-c1ccccc1
63205 COc1cc(OC)cc(c1)-c1cc([nH]n1)N1N(O)c2ccccc2NC1=O
63206 CN(C)c1ccc(C=NNC(=O)c2ccccc2Cl)cc1
63207 On1n(nc([N+]([O-])=O)\c1=N\c1ccccc1)-c1ccc2OCCOc2c1
63208 CC1(C)Oc2ccccc2C(=O)C1(Cl)SNc1ccc(F)cc1
63209 O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1
63210 CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+]([O-])=O
63211 Cc1c(C2=CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)c2ccccc2n1C |t:3|
63212 CN(Cc1ccco1)C(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1
63213 Cc1ccc(NC(=O)Cc2ccc(cc2)-n2cccc2)c(C)c1
63214 COCCN(C(C)c1cccnc1)C(=S)Nc1c(C)cccc1C
63215 Cc1nc(SCC(=O)Nc2nc3ccccc3s2)c(C#N)c(C)c1C
63216 CC(=O)C(Sc1nnc(-c2ccccc2)n1-c1ccccc1)=NNc1ccc(Cl)cc1 |w:22.25|
63217 CC(C)Cc1csc(NC(=O)c2ccc(F)cc2)c1C(O)=O
63218 COc1ccc(cc1)-n1cccc1C=C1NC(=O)N(C1=O)c1cccc(Cl)c1 |w:13.14|
63219 COc1ccc(cc1)C(CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCl)c1ccccc1
63220 Cc1nc2n(C)c(=O)n(C)c(=O)c2cc1C(=O)NN=Cc1ccc(O)c(O)c1 |w:18.19|
63221 O=C1N=c2ccccc2=C1NNC(=S)NCC1CCCO1 |c:9,t:2|
63222 COC(=O)c1c(C)c(C)sc1-n1c(O)c2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3cccc4C)c2c1O |wU:20.21,wD:15.20,(4.46,-2.17,;4.46,-.63,;5.79,.14,;7.12,-.63,;5.79,1.68,;4.54,2.58,;3.08,2.11,;5.02,4.05,;4.12,5.29,;6.56,4.05,;7.04,2.58,;8.5,2.11,;9.74,3.01,;9.74,4.55,;10.98,2.11,;12.52,2.11,;13.76,3.01,;15,2.11,;14.53,.65,;13,.65,;11.75,-.26,;10.5,-1.16,;9.04,-.69,;10.98,-2.63,;12.52,-2.63,;13,-1.16,;14.56,-.8,;15.64,-1.99,;15.15,-3.51,;13.57,-3.84,;13.08,-5.29,;10.5,.65,;8.97,.65,;8.07,-.59,)|
63223 COc1cccc(C=NNC(=O)c2cnccn2)c1
63224 Oc1ccc(C=NNC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1 |w:6.6|
63225 CCc1ccc(\C=C2/Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1
63226 Cc1cccc(c1)-c1nnc(NC(=O)c2cccs2)s1
63227 CCOC(=O)CNC(=O)CSc1nnc(C)c(=O)[nH]1
63228 Cc1nc2c(ccc3nc(NC(=O)Cc4cccc5ccccc45)sc23)s1
63229 O=C(Nc1ccc(cc1)-c1nc2cccnc2s1)C1CCCO1
63230 Cc1oc2c(c1C(=O)NCc1cccnc1)C(=O)c1ccccc1C2=O
63231 CCCCC1C(=O)NC(=S)NC1=O
63232 Cc1ccc(NC2=NC(=O)C(S2)=Cc2cccs2)cc1C |w:12.13,t:6|
63233 CNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cc(OC)c(OC)c(OC)c1
63234 CCCCCCc1cc2cc(c(=O)oc2cc1O)S(=O)(=O)c1ccc(F)c(Cl)c1
63235 CCc1cccc(CC)c1NC(=S)N1CCn2cccc2C1c1cccnc1
63236 Cc1cccc2sc(NNC(=O)C3COc4ccccc4O3)nc12
63237 CCOC(=O)c1c2CCCCc2sc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C
63238 Cc1ccc(cc1)S(=O)(=O)c1c(cnc2cc3OCCOc3cc12)C(=O)c1ccccc1
63239 Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc23)n1
63240 COCCNC(=O)CSC1=N\C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1F |t:9|
63241 O=[#6](-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6](-[#6]-[#6]-1)-c1ccccc1)-c1cc2-[#6]-[#6]-[#6]-[#6]-c2s1
63242 CC1CCc2c(C1)sc1nc(CN3CCOCC3)nc(Oc3ccc(C)c(C)c3)c21
63243 CC(C)(C)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
63244 CC(=O)NC(=S)Nc1cccc(c1)S(=O)(=O)NC1=NCCC1 |t:18|
63245 CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cn2cnc3ccccc23)ccc1C
63246 FC(F)(F)Oc1ccc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1
63247 Cn1cc(Cl)c(n1)-c1n[nH]c(=S)n1-c1ccc(F)cc1
63248 NNC(=O)c1ccc(O)cc1O
63249 CC1CC(C)CN(C1)C(=O)c1ccc(CSc2nc3ccncc3[nH]2)cc1
63250 Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3n(C)c(=O)c(=O)n(C)c3c2)cc1C
63251 Cc1ccc(cc1)C(=O)NCC(=O)NCC(=O)OCC(=O)c1ccc(F)cc1
63252 CCOC(=O)c1c(C)[nH]c(c1C)C1=NN=C(Nc2cccc(Cl)c2)SC1 |t:13,15|
63253 CCCN1C(=O)\C(=N/NC(=O)c2ccco2)c2ccccc12
63254 NS(=O)(=O)c1ccc(NC(=O)COC(=O)C2(CCCC2)c2ccccc2F)cc1
63255 Clc1ccccc1C=NNC(=O)c1[nH]nc2CCCCc12 |w:8.9|
63256 O=C(NN=Cc1c[nH]nc1-c1ccccc1)c1cccs1 |w:3.2|
63257 CCC(C)(NC(=O)c1ccccc1)C(O)=O
63258 O=C(NNc1nc2ccccc2s1)Nc1ccccc1
63259 CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
63260 Brc1ccc(C=NNC(=O)c2ccc3OCCOc3c2)o1
63261 CCCNC(=O)COc1ccc2c(c1)occ(Oc1ccccc1F)c2=O
63262 CCNC1=NN=C(CS1)c1cc(C)n(CC=C)c1C |c:5,t:3|
63263 [O-][N+](=O)c1ccc(NC(=O)C2(CCOCC2)c2ccccc2)cc1
63264 [O-][N+](=O)c1cnn(CC(=O)NCC2CCCO2)c1
63265 CC(C)CNC(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
63266 CCN(Cc1ccccc1)C(=O)C1CCN(Cc2sccc2C)CC1
63267 Cc1oc(C=NNC(=O)CC2(C)OCCO2)cc1Br
63268 Clc1ccc(cc1)S(=O)(=O)CCc1nc2ccccc2[nH]1
63269 CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1ccccc1
63270 CC(C)CN(CC(C)C)C(=S)NC1CCCCC1
63271 CC(C)Nc1nnc(Sc2ccc(Cl)cc2[N+]([O-])=O)s1
63272 CN(C)c1ccc(C=NNC(=O)C2COc3ccccc3O2)o1
63273 Cc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
63274 O=C(Cc1ccccc1)Nc1cccc(c1)N1C(=O)C=CC1=O |c:21|
63275 Cc1sc2nc(SCC(=O)N3CCc4ccccc4C3)n(CC=C)c(=O)c2c1C
63276 Fc1ccccc1C1(CCCC1)C(=O)OCC(=O)N1CCc2ccccc12
63277 Cc1cc(Nc2ccc3OCCOc3c2)c2cc(Cl)ccc2n1
63278 Nc1ncnc2nc(SCCOc3ccc(Cl)cc3)[nH]c12
63279 CCCC(=O)Nc1cccc(NC(=O)c2cccc(c2C)[N+]([O-])=O)c1
63280 COc1ccc(cc1)N1CCN(CC(O)COCCOc2ccc(Br)cc2)CC1
63281 CCN(CC)CCCNC(=O)\C=C\c1ccc2OCOc2c1
63282 COc1ccc(CCNC(=O)Cc2cccs2)cc1
63283 Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2s1)-c1ccccc1Cl |w:9.10|
63284 CC(C)(C)c1ccc(\C=C2/SC(=O)N(CCNC(=O)c3cccc(c3)S(=O)(=O)N3CCOCC3)C2=O)cc1
63285 CCn1nc(C)c(C=NNC(=O)c2c[nH]c3ccccc23)c1C |w:8.8|
63286 CN1CCN(CC(=O)Nc2nnc(s2)-c2cccs2)CC1
63287 [O-][N+](=O)c1ccc(cc1)C(=O)[C-](C(=O)c1ccccc1)[n+]1ccc2ccccc2c1
63288 CCOC(=O)C[n+]1c(C)csc1C
63289 Nc1nc(Cl)nc2ccc(Br)cc12
63290 Cc1cn2c(nc(=O)c3cccnc23)s1
63291 CCOC(=O)c1cccnc1NC(=O)c1ccncc1
63292 Cc1nc2ccc(NC(=O)Cc3sc(nc3-c3ccc(C)cc3)-c3cccnc3)cc2s1
63293 COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc5ccccc5c4)[nH]c3c2)cc1
63294 CCC(C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
63295 CC1CCN(CC(=O)c2cc(C)n(c2C)-c2ccccc2F)CC1 |(3.08,7.31,;3.99,6.07,;5.52,6.23,;6.42,4.98,;5.8,3.58,;6.7,2.33,;6.07,.92,;4.54,.76,;6.98,-.32,;8.52,-.32,;9,-1.79,;10.46,-2.26,;7.75,-2.69,;6.5,-1.79,;5.04,-2.26,;7.75,-4.23,;9.08,-5,;9.08,-6.54,;7.75,-7.31,;6.42,-6.54,;6.42,-5,;5.08,-4.23,;4.26,3.41,;3.36,4.66,)|
63296 COc1cc(NC(=O)c2cccs2)c(cc1OC)C(=O)OCC(=O)c1cc(C)n(c1C)-c1ccc(F)cc1
63297 CC(N=Nc1nc(cs1)-c1ccccc1)c1cccs1 |w:3.3|
63298 CCCn1c(SCC(=O)c2c(C)[nH]c(C)c2C(=O)OCC)nc2ccccc12
63299 CC1Cc2ccccc2N1C(=O)CON=Cc1ccc(OC(F)F)cc1
63300 CC1CCCCN1CC(=O)Nc1ccccc1Sc1ccccc1
63301 Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1-c1ccccc1
63302 CCOc1ccccc1Nc1nnc(SCc2nnc(o2)-c2cc(OC)c(OC)c(OC)c2)s1
63303 [O-][N+](=O)c1ccc(s1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
63304 CNC(=S)NN=Cc1c(Cl)cccc1Cl |w:5.4|
63305 CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1nc2CCCCc2s1
63306 CN(C(c1ccccc1)c1ccccc1)C(=O)c1ccc2N3CCS(=O)(=O)N=C3Sc2c1 |c:29|
63307 Cc1cc(C(=O)COC(=O)CNC(=O)c2ccccc2)c(C)n1CC=C
63308 CCOc1ccc(\C=C2/SC(=O)N(CCNC(=O)C3COc4ccccc4O3)C2=O)cc1OC
63309 COc1ccc(NC(=S)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)cc1
63310 O=C(Nc1ccc2OCCOc2c1)c1coc2ccccc2c1=O
63311 Cc1ccc(cc1C)C(=O)CSc1cnc2ccccc2n1
63312 O=C(OCn1nnc2ccccc2c1=O)c1cc(nc2ccccc12)-c1ccccc1
63313 Cc1ccc(F)cc1NC(=S)NCCc1ccccc1
63314 CC1CC(CC(C)(C)C1)=NNc1nc2ccccc2[nH]1 |w:9.10|
63315 CN=c1scc(-c2cccs2)n1N=Cc1ccccc1O |w:12.13,1.0|
63316 CCc1nc2ccc(cc2nc1CC)C(O)=O
63317 Cn1c(SCC(=O)Nc2ncc(cc2Cl)C(F)(F)F)nnc1-c1ccc(Cl)cc1
63318 FC(F)(F)c1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NCCc2c[nH]c3ccccc23)c1
63319 Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccccc1
63320 CCC(\N=c1/cc(oc2ccc(C)cc12)-c1ccc(OC)c(OC)c1)C(O)=O
63321 [O-][N+](=O)c1ccc(COc2nc3ccccc3nc2N2CCOCC2)cc1
63322 COc1ccc(cc1)-n1c(C)cc(-c2csc(NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)n2)c1C
63323 CCOc1ccc2nc(NC(=O)c3cc(ccc3N3CCOCC3)[N+]([O-])=O)sc2c1
63324 CCc1ccc(cc1)C1=NN=C(Nc2cccc(c2)S(=O)(=O)N(C)C)SC1 |t:9,11|
63325 CSCc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:8|
63326 CC(NC(=O)CCc1c(C)nc2cc(nn2c1C)-c1ccccc1)c1ccc2OCCOc2c1
63327 CC(C)c1onc(C(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)c1[N+]([O-])=O
63328 Fc1ccccc1-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
63329 CCCCOc1cccc(c1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1Cc1cccnc1
63330 CCC(CC)c1nc(C#N)c(NCc2ccccc2)o1
63331 COc1ccc(cc1)C(=O)c1c[nH]cc1-c1ccccc1
63332 NC(NC(=O)c1ccc(Cl)cc1)=Nc1nc2ccccc2o1 |w:12.13|
63333 CN(C)c1ccc(CN=Nc2nc(cc(=O)[nH]2)-c2ccccc2)cc1 |w:9.9|
63334 O=C(CN1CCCC1)Nc1c2CCCc2cc2CCCc12
63335 COc1ccccc1N1CC(C)C(=O)NC1=S
63336 Brc1cncc(c1)C(=O)NC(=S)NCCC1=CCCCC1 |t:16|
63337 Nc1c(NC(=O)CC[n+]2ccccc2)cccc1[N+]([O-])=O
63338 CCC(=O)CCC(=O)c1ccc2ccccc2c1
63339 CCCN1\C(S\C(=C\c2ccncc2)C1=O)=N\c1ccccc1
63340 O=C1SCC(=NN1Cc1ccccc1)c1ccccc1 |c:4|
63341 O=C(NN=Cc1cccnc1)c1ccc2OCCOc2c1
63342 CCOc1ccc(cc1)N=Nc1c(N)[nH][nH]c1=O |w:9.9|
63343 Cc1cc(c(C)cc1Cl)S(=O)(=O)N1CCN=C1c1ccccc1 |c:16|
63344 CCc1ccccc1NC(=O)COc1cccc2ccc(C)nc12
63345 CN(c1ccccc1C(=O)NC1CCCC1)S(=O)(=O)c1ccc(C)cc1
63346 CC(ON=Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 |w:3.2|
63347 CCCCNCCOCCOc1ccccc1-c1ccccc1
63348 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN(CCO)CCO)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
63349 Nc1nc(NC(=O)C(Cl)(Cl)Cl)nn1-c1ccccc1
63350 CN1CCN(CC1)C(=O)C(\NC(=O)c1ccco1)=C/c1cccs1
63351 COc1ccc(OC)c(NC(=S)NCc2cccnc2)c1
63352 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2c(-[#6])n(-[#6])n(-c3ccccc3)c2=O)-[#6]-1=O
63353 CCOc1ccc(cc1)N=C(NN)c1ccc2ccccc2n1 |w:9.9|
63354 CC1CCCN(CCCOc2ccc(Cl)cc2Br)C1
63355 CC(C)(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F
63356 Fc1ccc(N=CCC(=O)c2ccccc2)c(Br)c1 |w:5.4|
63357 COC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
63358 [O-][N+](=O)c1ccccc1C(=O)NCc1cccs1
63359 [H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-3=O)-c1ccc(-[#6])c(-[#6])c1)\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:21:3.2,THB:11:6:21:3.2|
63360 CN(C)C(=O)c1sc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)nc1C
63361 CC(C)CNC(=O)c1cccc(NC(=O)COc2cccc(C)c2)c1
63362 Cc1cc(CN=Nc2nnc(C)n2N)c(C)n1-c1ccc(F)cc1 |w:5.4|
63363 CC(Cc1ccccc1)C(=O)Nc1ccccc1
63364 CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1
63365 CC(=O)OCC(=O)NCC(=O)c1c[nH]c2ccccc12
63366 CCCCNC(=O)C(N(CCc1c[nH]c2ccccc12)C(=O)CCCCCN1C(=O)NC(C(C(=O)OCc2ccccc2)=C1C)c1ccc(cc1)-c1ccccc1)c1ccc(OCC(=O)OC)c(c1)C(=O)OC |c:45|
63367 COC(=O)[C@H](CO)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
63368 Oc1cc(N=CCN2CCOCC2)c(O)c2cnccc12 |w:4.3|
63369 NCCCC[C@@H](C(=O)N1CCNCC1)n1cc(nn1)[C@@H](N)CO
63370 CN(C)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
63371 [H]C12CC([H])(C3C1ON=C3C(=O)OCC)C1C2C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O |c:9,TLB:7:6:15.16:2,17:16:2:5.6,THB:32:15:2:5.6,9:5:15.16:2|
63372 CCOc1ccccc1NC(=O)Cn1c(noc1=O)-c1ccc(Cl)cc1
63373 COc1cccc(c1)-n1nc(-c2ccnn2-c2cccc(Cl)c2)c(=O)n(C)c1=O
63374 CC1CCN(CC(=O)Nc2ccc(cc2)S(=O)(=O)NC2CC2)CC1
63375 Cc1c(C(=O)C(=O)NCc2cccs2)c2ccccc2n1C
63376 NC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2CN(Cc3ccccc3)CCc12
63377 COc1ccc(CCNC(=O)CSc2ccc(nn2)-c2ccco2)cc1
63378 O=C(CSc1ccc(nn1)-c1ccccn1)NC1CCCCC1
63379 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(cc1)C(F)(F)F |c:9|
63380 OCCCCO[C@H]1C[C@H](C=C(O1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1 |c:9|
63381 CN(C)c1ccc(\C=C2/SC(=O)N(CCc3nnc(N)s3)C2=O)cc1
63382 Cc1ccccc1C(=O)Nc1nnc(CC(=O)NN=Cc2ccco2)s1
63383 CNC(=S)NN=Cc1ccc(o1)-c1cccc(c1)C(O)=O |w:5.4|
63384 [O-][N+](=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccccc2)cc1
63385 COc1ccc(\C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1O
63386 COc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(OC)c(Cn2cc(cn2)[N+]([O-])=O)c1
63387 COc1ccc2nc(Cl)c(cc2c1)C#N
63388 CC(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(O)cc1
63389 Cn1ccnc1C1CCCCN1C(=O)c1cc(COc2ccc(F)cc2Cl)on1
63390 CC(C)N1CCC(CC1)N1CCN(CC1CCO)C1CCCC1
63391 CCOc1ccc(NCC(=O)c2ccc(C)cc2)cc1
63392 CN(C)CCCNC(=S)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O
63393 Cn1c2ncn(CC(=O)Nc3cccc(c3)S(=O)(=O)Nc3ccccc3F)c2c(=O)n(C)c1=O
63394 CC(=O)NN=C(C)CC(=O)NC(C)(C)C |w:4.3|
63395 C=CCOCCN(CCOCC=C)C1=NS(=O)(=O)c2ccccc12 |t:13|
63396 O=C(Nc1ccccc1NC(=O)c1csnn1)c1csnn1
63397 CCOC(=O)N\N=C1\c2ccccc2-c2nc3nonc3nc12
63398 CC1=C(C(C2C(=O)CCCC2=N1)c1cc(CN2CCOCC2)cs1)C(=O)Nc1ccccc1 |c:11,t:1|
63399 CCCNC(=O)N1CCCC(C1)C(=O)c1cccc(Cl)c1
63400 CCOC(=O)C1(Cc2ccccc2)CCCN(CCCn2cccn2)C1
63401 COc1ccc(cc1)C(=O)Nc1ccc2n(C)c(CN3CCCC3)nc2c1
63402 OCCCn1nnnc1SCC(=O)Nc1ccc2OCOc2c1
63403 COc1ccc(cc1)-n1c(O)cc(NNc2ncc(Cl)cc2Cl)c1O
63404 ClCC(=O)N1N=C(CC1c1ccco1)c1cccs1 |c:5|
63405 C[n+]1c(\C=C\c2ccc3OCOc3c2)ccc2ccccc12
63406 CCN(CC)c1ccc(CNc2nc3ccccc3n2CCN2CCOCC2)cc1
63407 COc1ccc(CCNC(=O)c2ccc(cc2)N(C)S(=O)(=O)c2ccc(C)cc2)cc1
63408 CCOC(=O)c1n[nH]c(=O)c2ccccc12
63409 CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccc(F)cc1
63410 O=C(Cn1nnc2ccccc12)NNC(=S)NC1CCCCC1
63411 C[C+]([N-]NC(=O)CNC(=O)c1ccccn1)c1ccc(cc1)[N+]([O-])=O
63412 Cc1ccc(cc1)C1CCN(C1)C(=S)NC(C)(C)C
63413 Cc1c(cnn1-c1ccccc1)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1ccccn1
63414 CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2C)cc1
63415 Fc1ccc(cc1)-n1cc(CNCCc2ccccn2)c(n1)-c1ccccc1Cl
63416 N#CC(C=Nc1ccc2cn[nH]c2c1)c1nc(cs1)-c1ccccc1 |w:4.4|
63417 Fc1ccc(Cn2cc(NC(=O)c3cc(on3)-c3ccco3)cn2)cc1
63418 CCn1c(nc2ccccc12)S(O)(=O)=O
63419 CCCCOc1ccc(cc1)N1CC(CC1=O)C(=O)NCCc1ccc(OC)c(OC)c1
63420 COc1cccc(c1)N(CC(=O)Nc1cccnc1)S(C)(=O)=O
63421 Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)n1
63422 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccn1
63423 COc1ccc(C=NNC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
63424 CC(N=O)C(C)=NNC(=O)c1ccccn1 |w:6.6|
63425 CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1
63426 NC1=NC(c2c[nH]nc2-c2cccc(F)c2)n2c(N1)nc1ccccc21 |t:1|
63427 CCOC(=O)N1CCN(CC1)C(=S)Nc1ccc(C)cc1C
63428 CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc(cc2)[N+]([O-])=O)c1C
63429 CC(=O)c1c(C)n(-c2ccccc2)c(=S)nc1N1CCN(CCO)CC1
63430 Fc1cc(ccc1-c1ccccc1)C(=O)C1CCCN(C1)C(=O)c1cncs1
63431 CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccc(c2)-n2cccn2)CC1
63432 CC(=O)Nc1ccc(CN2CCC(CO)(CCOc3ccccc3)CC2)cc1
63433 CCc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
63434 CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1
63435 COCCNC(=O)C(N(C(=O)C(=O)NC1CCCC1)c1ccc2OCCOc2c1)c1ccccc1F
63436 O=C(NC(=S)N1CCSCC1)\C=C\c1ccccc1
63437 Fc1ccc(cc1)-c1cc(nc(n1)-n1cccn1)-c1ccccc1
63438 O=C(Cn1cc(C(=O)c2ccco2)c2ccccc12)NC1CCCCC1
63439 COc1ccc(cc1OC)C1=NN(C(C1)c1cccs1)S(C)(=O)=O |t:11|
63440 COc1ccc(cc1C(C)C)S(=O)(=O)N1CCCC1
63441 CC(C)CC(=O)NC(NC(=O)CC(C)C)c1cccc(c1)[N+]([O-])=O
63442 CCn1cc(cn1)S(=O)(=O)Nc1ccc2OCCOc2c1
63443 CCOC(=O)C1C(NC(=S)N=C1C)c1ccsc1 |c:10|
63444 CCOC(=O)C(CC)Sc1ccc2nnc(-c3cccnc3)n2n1
63445 Cc1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)N2CCCC2C(O)=O)cc1
63446 CCCCC(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1
63447 CC(C(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccc(cc1)[N+]([O-])=O
63448 NS(=O)(=O)c1ccc(CNC(=S)NC2CCCCC2)cc1
63449 CN(C)C(=O)CSc1n[nH]c(=O)[nH]c1=O
63450 OCC(O)CSc1cc(NC(=O)CCl)cc(c1)[N+]([O-])=O
63451 Oc1c(CN2CCN(CC2)c2ccccc2)cc([N+]([O-])=O)c2cccnc12
63452 COc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2ccc(OC)cc2)cc1
63453 COc1cccc(NC(=O)Cn2c3ccc(cc3oc2=O)S(=O)(=O)N2CCCC2)c1
63454 COc1ccc(cc1)S(=O)(=O)NCC1CCCN(C1)C(=O)C1CCCC1
63455 CCn1c(C)cc(C=C2NC(=O)N(C2=O)c2ccccc2)c1C |w:7.6|
63456 CCOc1ccc(NC(=S)N(CCc2ccncc2)C(C)C)cc1
63457 CSc1cccc(NC(=S)N2CCC(CC2)N(C)C2CCCC2)c1
63458 Cc1nc2ccc(cc2s1)C(=O)Oc1ccc(C)cc1
63459 OC(=O)\C=C/C(=O)Nc1ccc(OCc2ccccc2)cc1
63460 CN(C)CCNS(=O)(=O)c1cc(ccc1C)-c1nn(C)c(=O)c2ccccc12
63461 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(OC)c(OC)c3)cc2)ncn1 |w:20.20|
63462 CCN(CC)C(=O)CN1C(=S)S\C(=C/c2ccccc2)C1=O
63463 COc1ccc(cc1)S(=O)(=O)NCC1CCCN(Cc2ccc(C)o2)C1
63464 Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C
63465 Cc1cccc(CS(=O)(=O)Cc2ccc(o2)C(=O)NCc2cccs2)c1
63466 [#6]-[#6]-[#8]-c1ccc(cc1)-[#7](-[#6]-[#6](=O)-[#7]\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1)S([#6])(=O)=O
63467 COc1cc(C=O)ccc1OC(=O)c1ccc(cc1)C(C)C
63468 CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(C)s2)c1
63469 CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)Nc1ccccc1
63470 CCCCC(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
63471 C=CCNC(=S)Nc1sc2CCCCc2c1C#N
63472 CCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1
63473 Cc1ccc(F)c(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1
63474 CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1[N+]([O-])=O
63475 CC(O)CNCCCOc1ccc(Cl)cc1C(C)(C)C
63476 COc1cccc(C(=O)Nc2sc(cc2C(N)=O)C(C)C)c1OC
63477 CCOc1ccc2ccccc2c1CNc1nnnn1CC
63478 CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccccc1F
63479 CCOC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1
63480 Cc1cc(NC(=O)Cn2ccc(n2)[N+]([O-])=O)no1
63481 CCOc1cc(CNCC2CCCN2CC)cc(Cl)c1OC
63482 [O-][N+](=O)c1ccccc1CC(=O)O[N-]C(=[NH2+])c1cccnc1
63483 COc1ccc(N2CCN(CC2)C(=O)c2cccc(Br)c2)c(c1)[N+]([O-])=O
63484 Cc1nc(Nc2ccccc2)sc1C
63485 Brc1ccc(cc1)C(=O)CCC(=O)Nc1cccnc1
63486 CC(C)c1nc(SCC(=O)c2ccc(F)cc2)c2ccccc2n1
63487 CC1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O
63488 COC(=O)NN=Cc1ccc(C=NNC(=O)OC)cc1 |w:5.4,12.12|
63489 CC(=O)C1C(=O)c2c(cccc2[N+]([O-])=O)\C1=N/c1ccc(cc1)S(N)(=O)=O
63490 Cc1ccc(cc1S(=O)(=O)NCc1ccccc1)C(=O)Nc1ccccc1C(O)=O
63491 COC(=O)c1ccc(CN2CCN(CCc3ccccc3)C(CCO)C2)cc1
63492 OCC1(Cc2cccc(F)c2)CCN(CC1)C(=O)NCc1ccccc1
63493 CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(CC1)C(=O)c1csc(C)n1
63494 OCCC1CN(Cc2cccc(c2)-n2cccn2)CCN1Cc1ccccc1
63495 CC(C)N1CCN(Cc2ccc3nsnc3c2)CC1CCO
63496 Cc1oc(nc1CN1CCN(CC1)c1cccc(C)n1)-c1ccccc1Cl
63497 CCOC(=O)C1(CC2CCCCO2)CCN(Cc2nc3ccccc3[nH]2)CC1
63498 COC1CCCN(C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
63499 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-c2cc(F)ccc2-n2nc(-[#6])cc2-[#6])-[#6]-[#6]-1-[#6]-[#6]-[#8]
63500 COCCNC(=O)CCc1nnc(o1)C1(CCC1)c1ccc(Cl)cc1
63501 Clc1ccc(cc1)C(=O)C1CCCN(Cc2ccc3OCCOc3c2)C1
63502 Cn1cc(CCNC(=O)CC2N(Cc3cccc(Oc4ccccc4)c3)CCNC2=O)cn1
63503 Cc1oc(nc1CN1CCCC1c1ccc(F)cc1)-c1cc2OCOc2cc1Cl
63504 OC(=O)c1cccc(NC(=O)\C=C\c2ccccc2)c1
63505 COc1ccc(Cn2nnnc2C(N2CCN(C)CC2)c2cc3cccc(C)c3[nH]c2=O)cc1
63506 NNC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1
63507 CN(C)CCN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1Cl
63508 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccncc1
63509 CC(C)Oc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCCC(O)=O)cc1
63510 Cc1cc(C)nc(NC(N)=Nc2ccc3OCCOc3c2)n1 |w:10.10|
63511 [O-][N+](=O)c1cccc(NC(=O)CCc2ccccc2)c1
63512 CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1
63513 CC1CC(=O)Nc2cc(ccc2N1)[N+]([O-])=O
63514 Cc1cc(C)n(n1)-c1nc2ccccc2s1
63515 COc1ccc(cc1)C1NS(=O)(=O)N=C1N |c:14|
63516 COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)cc1OC
63517 COc1ccc(cc1)-n1nc(C)cc1N
63518 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)C(Cc1cccc(OC)c1OC)NC(C)=O
63519 COC(=O)c1ccc(N2CCN(CC2)C(C)=O)c(NC(=O)COc2ccccc2C)c1
63520 NC(=O)COc1ccc(cc1)-n1cnnn1
63521 COc1cccc(c1)N1CCN(CC1)C(=S)Nc1cc(C)cc(C)c1
63522 CC(C)NC(=O)CC(=O)NN=Cc1ccccc1C(O)=O
63523 COc1ccc(C=O)cc1Cn1ccnc1C
63524 Cn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
63525 [O-][N+](=O)c1cccc(c1)-c1nnc(o1)-c1ccccc1
63526 CC(C)Cn1c(nc2ccccc12)N1CCN(CC1)C(=O)\C=C\c1ccccc1
63527 COc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1
63528 Nc1ccc2oc(nc2c1)C1CCCCC1
63529 OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCCC1
63530 COC(=O)CN1C(c2ccccc2)c2cc(C)ccc2NC1=O
63531 COc1cccc(c1)N1CCN(Cc2nnnn2C2CCCCC2)CC1
63532 CC(C)(C)C(=O)Nc1ccc(cc1)\N=N\c1ccccc1
63533 CCN(CC)CCCN(C(=O)c1ccco1)c1nc(cs1)-c1ccc(C)cc1
63534 COc1cccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc12
63535 CN(C)c1ccc(cc1)C(=O)NN=C(C)c1cccc(c1)[N+]([O-])=O |w:12.12|
63536 CC1(C)CC(CC(C)(C)N1)NC(=O)COc1ccccc1Cl
63537 CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2=O |t:7|
63538 Cc1ccc(Cn2c3ccccc3n(CC(=O)c3ccccc3)c2=N)cc1
63539 CN(C)c1ccc(C=NNC(=O)c2cccc(c2)N2CCCC2=O)cc1
63540 CC(=O)NC1=NN(C(S1)c1ccccn1)C(C)=O |t:4|
63541 CCN(CC)CCCNC(=O)C(\NC(=O)c1ccco1)=C\c1ccc[nH]1
63542 COc1ccc(cc1)-c1nsc2c(ncnc12)N1CCCCC1C
63543 CC(C)(C)NC(=O)C1CC(=O)OC11CCOC(C)(C)C1
63544 CC(=O)Oc1ccc(OC(C)=O)c(SCCCCCCl)c1
63545 CCOc1ccc2C(C)=CC(C)(C)[N+](C)(C)c2c1 |c:8|
63546 CN1CCN(CC1)c1ncnc2n(Cc3ccc(C)cc3)ncc12
63547 CC1CCCN(C1)C(=O)C1(CCCCC1)NC(=O)Nc1cccc(F)c1
63548 C[N+]1(CC2COC(O2)c2ccco2)CCCCC1
63549 CN(C)c1ccc(cc1)\N=N\c1nc2ccccc2n1C
63550 COc1cc(cc(OC)c1OC)C(N(Cc1ccco1)C(=O)c1cnccn1)C(=O)NCc1ccccc1
63551 [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:5,8|
63552 OC12NC(=O)NC1(O)c1ccccc1C2=O
63553 [H]C12COC([H])(O1)C(CC2n1nnnc1-c1ccccc1Cl)=NNC(N)=S |w:22.26,TLB:10:9:6:3.2,THB:22:7:6:3.2|
63554 COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)NCc2ccccc2OC)c2ccccc2c1=O
63555 CCN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCCC(C)C3)ccc2n1
63556 CC1CC(C)(C)NC(=S)N1CC(=O)Nc1cccc(c1)C(C)=O
63557 CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1
63558 CCCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C
63559 COc1ccccc1-n1c(CNC(=O)c2cccc(c2C)[N+]([O-])=O)n[nH]c1=S |(10.87,7.65,;10.55,6.14,;9.09,5.66,;7.94,6.69,;6.48,6.22,;6.16,4.71,;7.3,3.68,;8.77,4.16,;9.91,3.13,;9.75,1.59,;8.41,.82,;8.41,-.72,;7.08,-1.49,;5.75,-.72,;7.08,-3.03,;8.41,-3.8,;8.41,-5.34,;7.08,-6.11,;5.75,-5.34,;5.75,-3.8,;4.41,-3.03,;4.41,-6.11,;4.41,-7.65,;3.08,-5.34,;11.16,.97,;12.19,2.11,;11.42,3.45,;12.04,4.85,)|
63560 COC(=O)c1c(C)[nH]c(C)c1-c1cccc(c1)[N+]([O-])=O
63561 COc1cccc(c1)-n1ccnc1SCC(=O)Nc1ccccc1F
63562 Cc1ccc(cc1)C(=O)Nc1cc2ccccc2oc1=O
63563 CCCCCn1c(SCC(=O)CC(=O)OCC)nc2cc(ccc2c1=O)C(=O)N1CCC(CC1)C(N)=O
63564 CCCCNC(=O)C(=O)NN=Cc1ccc(cc1)C(=O)OC
63565 CCCN1Cc2cccc(C(=O)N3CCN(CC3)c3ccc(OC)cc3)c2C1=O
63566 COc1cccc(c1)-n1c(N)c(sc1=S)-c1nc2ccccc2[nH]1
63567 CC1=Nc2cc(ccc2Sc2ccc(Br)cc12)C(=O)NCC1CCCO1 |t:1|
63568 CCc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1
63569 COc1ccc(CCNC(=O)CN2CCN(Cc3ccccc3F)C2=O)cc1OC
63570 CN(C1CCCCC1)c1ccc2nc3ccccc3c(=O)n2n1
63571 CCOC(=O)c1nnn(CC(=O)NC(=O)Nc2ccc(F)cc2)c1C(=O)OCC
63572 Cc1cc(C)c(NC(=O)CSc2nncn2-c2cccnc2)c(C)c1
63573 CCCCNC(=O)CNC(=S)N(Cc1cccs1)Cc1ccccc1
63574 CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(cc1)S(N)(=O)=O)C(=O)NCCOC
63575 CC(C)c1ccc(NC(=O)CNC(=O)Cn2cnc3ccccc3c2=O)cc1
63576 CCOC(=O)C1CCN(CC1)c1c(NCc2ccc(cc2)C(=O)Nc2ccc(C)cc2)c(=O)c1=O
63577 CCOC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2N(C(C)Cc2c1)C(=O)CC
63578 Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c(ncnc12)N1CCOCC1
63579 CCC(C)NC(=O)CN1c2ccccc2C(=NCC1=O)c1ccccc1 |c:16|
63580 COc1ccc(N(C)C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(OC)c1
63581 CC(C)CCNC(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1
63582 OC(=O)c1cccc(c1)N1C(=O)\C(=C\c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:25|
63583 CC(C)C(=O)N1CCN(CC\[NH+]=C\c2c(C)[n-]n(-c3ccc(cc3)[N+]([O-])=O)c2=O)CC1
63584 COc1cccc2c1ccn(CC(=O)NCCc1ccccc1)c2=O
63585 CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc4ncsc4c3)sc2C(C)(C)N1
63586 Fc1ccccc1NC(=S)Nc1ccc(CN2CCOCC2)cc1
63587 Cc1cc2cc(CCNC(=O)C(=O)c3c[nH]c4ccccc34)c(=O)[nH]c2cc1C
63588 COc1ccc(cc1)C(NC(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccc(cc1)C(C)C
63589 Fc1ccc(F)c(c1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCCn1ccnc1
63590 O=C(Nc1nc2cc3OCCOc3cc2s1)C1=COCCO1 |t:19|
63591 CCN1CCc2c(OCc3ccccc3)cccc2C1=O
63592 COc1ccc(cc1)N1CCN(CC1)C(CNC(=O)C(=O)NCc1ccncc1)c1ccco1
63593 COc1ccc(NC(=O)CSc2nnc3ccc(nn23)-c2ccncc2)cc1OC
63594 CCc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1
63595 O=C(NCC(N1CCOCC1)c1ccco1)C(=O)NCc1ccco1
63596 CCOC(=O)CSc1cc(CS(C)(=O)=O)nc(n1)-c1ccccn1
63597 C\[N+]([O-])=C/C1C(=O)CC(C)(C)CC1=O
63598 O=C(CC1Nc2ccccc2NC1=O)Nc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O
63599 OCCNc1nc2nonc2nc1NCCO
63600 CCCNC(=S)N1CCCC(C1)c1nc2ccccc2[nH]1
63601 Fc1ccc(cc1)-c1nc2c(cnn2cc1CCN1CCOCC1)-c1ccc(Cl)cc1
63602 COc1cccc(c1)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1
63603 Cc1cc(=O)[nH]c(CCl)n1
63604 Oc1ccccc1CNc1ccc(OC(F)(F)F)cc1
63605 Fc1ccc(cc1)S(=O)(=O)Nc1cccc(Oc2cnccn2)c1
63606 CC(=O)Nc1nn(C)c2nc(C)cc(C)c12
63607 O=C(CCn1c2ccccc2oc1=S)NC1CCCCCC1
63608 Fc1ccc(CNCc2ccccc2Cl)cc1
63609 Cn1c(n[nH]c1=S)-c1sccc1OCc1cccc(c1)C(F)(F)F
63610 Cn1nc(c(C(=O)NCC=C)c1Cl)C(F)(F)F
63611 COc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1
63612 FC(F)(F)c1ccc(NC=C2SC3CCC(=O)N3C2=O)cc1 |w:9.8|
63613 OC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1
63614 CC(=O)Cn1ncc(Br)c(Br)c1=O
63615 OC(=O)COc1ccc(C=NNC(=O)c2ccccc2Br)cc1
63616 CC(=O)Nc1ccc(cc1Cl)-c1nnn(CC(=O)Nc2ccc3OCOc3c2)n1
63617 Cn1c(Sc2ncnn2CC(=O)N2CCOCC2)nc2n(C)c(=O)n(C)c(=O)c12
63618 COc1cc(OC)c2C3C(CON3C)COc2c1
63619 CN(C)\C=C\C(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
63620 N#Cc1cccn1-c1nccs1
63621 COc1ccc(cc1)\N=C1/SC(CC(=O)N1C)C(=O)N1CCN(CC1)c1ccccc1
63622 Cc1ccc(CON=Cc2c(O)cc(C)oc2=O)cc1 |w:7.6|
63623 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Br)cc1
63624 CNC(=O)NC(=S)NC(=O)c1ccccc1Cl
63625 COc1ccc(OC)c(c1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(s2)[N+]([O-])=O)c1=O |(11.62,-7.9,;11.62,-6.36,;10.29,-5.59,;8.95,-6.36,;7.62,-5.59,;7.62,-4.05,;6.29,-3.28,;4.95,-4.05,;8.95,-3.28,;10.29,-4.05,;8.95,-1.74,;10.29,-.97,;11.62,-1.74,;10.29,.57,;8.95,1.34,;8.95,2.88,;7.62,.57,;6.29,1.34,;6.29,2.88,;7.53,3.78,;7.06,5.25,;5.52,5.25,;5.04,3.78,;4.61,6.49,;5.24,7.9,;3.08,6.33,;7.62,-.97,;6.29,-1.74,)|
63626 Cn1ccnc1Sc1cc(NCCCO)c([N+]([O-])=O)c2nonc12
63627 Clc1cccc(Cl)c1Cn1n(-c2ccccc2)c2ncccc2c1=O
63628 COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1
63629 Cc1ccc(cc1)-n1ncc(Br)c(Br)c1=O
63630 CC1CN(CC(C)O1)C(=O)Nc1ccc2OCCOc2c1
63631 Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C
63632 [H]C12CCN(CC1)\C(=C/c1ccccc1C(F)(F)F)C2O |TLB:20:19:2.3:6.5,THB:8:7:2.3:6.5,(7.41,1.5,;6.92,2.96,;6.35,5.03,;5.01,4.26,;6.52,1.47,;3.85,-.07,;3.08,1.26,;9.34,.3,;10.11,-1.03,;9.34,-2.37,;10.11,-3.7,;9.34,-5.03,;7.8,-5.03,;7.03,-3.7,;7.8,-2.37,;7.03,-1.03,;5.7,-1.8,;6.26,.3,;8.36,-.26,;9.74,1.79,;11.07,2.56,)|
63633 CN1CCN(CC1)c1ccc(cc1)-c1ccc2ccccc2n1
63634 COC1=CC(=O)OC1=CNc1ccc(cc1)C(O)=O |w:8.9,t:2|
63635 NC(=O)Cc1ccc(s1)C(=O)c1ccc(Cl)cc1
63636 CN(C)\C=C\C(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
63637 OC(=O)C1CSC(N1)c1ccc2OCOc2c1
63638 CC(C)CCN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CNC(=O)c1cccs1
63639 COc1ccc2cc3c(N)nn(C(=O)Cc4c[nH]c5ccccc45)c3nc2c1
63640 O=c1[nH]c2ccccc2n2cnnc12
63641 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1
63642 OC(=O)c1cccc(NC(=S)NN=Cc2cccnc2)c1 |w:12.11|
63643 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1
63644 NNC(=O)c1ccc(N2CCc3ccccc23)c(c1)[N+]([O-])=O
63645 C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
63646 Cc1ccc(cc1)-c1cc2c(N=O)c3ccccc3c2n[nH]1
63647 Fc1ccc(NN=C2CCS(=O)(=O)c3sccc23)cc1 |w:6.5|
63648 O=c1[nH]cc([nH]1)S(=O)(=O)c1ccccc1
63649 S=C(NN=C1CCc2ccccc12)NC1CCCCC1 |w:3.2|
63650 CCc1cc[n+](CC(=O)Nc2ccc(Cl)cc2Cl)cc1
63651 CCn1c(SCC(=O)N(C)C2CCS(=O)(=O)C2)nnc1-c1cccs1
63652 CC1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccccc1
63653 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)OCC=C)c2ccc(cc2)C#C)cc1 |c:11|
63654 COc1cc(NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1
63655 COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O
63656 CC(Nc1nc(C)c(s1)C(=O)Nc1ccccc1)c1ccccc1
63657 COC(=O)c1ccc(CNC(=O)COC(=O)COc2ccc(OC)cc2)cc1
63658 CC(C)NC(=O)COC(=O)C1CSC2(CCC(=O)N12)c1ccc(Br)cc1
63659 ClCC(=O)Nc1ccc(cc1)-c1ccccc1
63660 [#6]-[#8]-c1ccc(cc1)-[#6]-1-[#7]-[#6](=S)-[#7]=[#6]2-[#6]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]-1\[#16]-[#6]-[#6]-[#16]-1 |c:13|
63661 Fc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1cccnc1Cl
63662 S=C1Cc2ccccc2N1
63663 Cc1cc(C)nc(N[NH+]=C2CC(C)(C)CC(=C2)N2CCCCC2)n1 |w:8.7,c:15|
63664 CCN(CC)P(=O)(NC(=O)c1cccn1C)N(CC)CC
63665 NC(=O)COC(=O)c1ccccc1Oc1ccccc1
63666 Brc1ccc(\C=C\C(=O)NCCCN2CCOCC2)o1
63667 CN=c1scc(-c2ccccc2F)n1N=Cc1ccc[nH]1 |w:14.15,1.0|
63668 CCn1nc(C(=O)OCC(=O)NC(C)C)c2ccccc2c1=O
63669 CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2=NNC(=O)CC2)c1C |t:16|
63670 COc1ccccc1NC(=O)Cn1c(=O)c(N(C)C)c(N)n(C)c1=O
63671 CC1N(C(=O)N(CC(=O)NC(N)=O)C1=O)c1ccc(C)cc1
63672 O=C(NN=Cc1ccc[nH]1)c1ccc(COc2cccc3cccnc23)cc1 |w:3.2|
63673 Cc1cccc(C)c1NC(=O)CN1C(=O)NC(C)(CCc2ccccc2)C1=O
63674 COc1ccc(CC(C)=NNC(=S)Nc2ccccc2F)cc1 |w:9.9|
63675 CC1CCN(CC(=O)c2cccs2)CC1
63676 COC(=O)c1nc(Cl)c(Cl)c(N)c1Cl
63677 NC(=O)C1CCN(CC1)c1ccnc2cc(Cl)ccc12
63678 CC(C)c1ccccc1-n1c(n[nH]c1=S)-c1cccnc1 |(3.54,-3.29,;4.07,-1.84,;3.08,-.66,;5.59,-1.57,;5.59,-3.11,;6.92,-3.88,;8.25,-3.11,;8.25,-1.57,;6.92,-.8,;6.92,.74,;8.17,1.64,;7.69,3.11,;6.15,3.11,;5.67,1.64,;4.21,1.17,;9.63,1.17,;9.95,-.34,;11.42,-.81,;12.56,.22,;12.24,1.72,;10.78,2.2,)|
63679 COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)N1CCc2ccccc12
63680 NNC(=S)Nc1ccccc1Cl
63681 [O-][n+]1ccc(cc1)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl
63682 Cc1noc(C)c1COc1ccc(cc1)C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
63683 ClCC(=O)Nc1ccccc1C(=O)c1ccccc1
63684 Cc1cc(NC(=O)c2cc(C)ccc2C)n(n1)-c1nc(C)cc(C)n1
63685 CCc1ccc(cc1)C(=O)NC(CCSC)C(=O)OC
63686 Cc1ccccc1NC(=O)COC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O
63687 ClCC(=O)NC(Cc1ccccc1)c1ccccc1
63688 CC(C)OCCCn1c(NN)nc2ccccc2c1=O
63689 CC(=O)c1cccc(NC(=O)C2CN(CCc3ccccc3)C(=O)C2)c1
63690 [O-][N+](=O)c1ccc(N2CCCC2)c2ccncc12
63691 COCCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O
63692 CCOc1ccc(NC(=O)COC(=O)C2(C)CC2(Cl)Cl)c(c1)[N+]([O-])=O
63693 CCCCNC(=S)NNc1c(Cl)cc(Cl)cc1Cl
63694 Fc1ccc(cc1)-c1nn(cc1NC(=O)CCl)-c1ccccc1
63695 COc1ccc(NC(=O)COc2ccc(\C=C\C)cc2OC)cc1OC
63696 CSc1ccccc1C(=O)N1CCN(CC1)c1ncccn1
63697 CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)NCc1ccccc1
63698 Cc1cc(C(=O)CN2C(=O)N(Cc3ccccc3)C(=O)C2=O)c(C)n1-c1ccc2OCCOc2c1
63699 Cc1[nH]c2ccccc2c1C(C[N+]([O-])=O)c1cccs1
63700 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#7]/[#7]-c2ccc(-[#8]-[#6](F)F)cc2)-[#6](=O)-[#6]1
63701 Cc1ccc(C)c(c1)C(=O)COC(=O)CCCNC(N)=O
63702 CCCCN(C(=O)COc1ccc(C)cc1OC)c1c(N)n(CCC)c(=O)[nH]c1=O
63703 CCN(CC)C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
63704 COc1cccc(CN(C)CC(=O)Nc2cccc(c2)C(F)(F)F)c1OC
63705 COc1ccc2ccccc2c1C=Nn1c(O)csc1=S |w:13.15|
63706 Nc1cccc2C(=O)N(C(=O)c3ccccc3Cl)C(=O)c12
63707 COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)NC(C)c1ccccc1
63708 O=C(CN1CCC(=CC1)c1ccccc1)NC(=O)NCc1ccccc1 |c:6|
63709 COCCN(Cc1ccccc1)C(=S)Nc1ccc(Cl)cc1
63710 OC(=O)c1csc(n1)-c1ccccc1
63711 CN(C)S(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C
63712 O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccn1
63713 CN1CCN(CC1)S(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)nc1
63714 FC(F)S(=O)(=O)c1ccc(NC(=O)Cc2ccsc2)cc1
63715 COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc3CCCc3c2)cc1
63716 C=CCNC1=NN=C(CS1)c1ccc2OCCOc2c1 |c:6,t:4|
63717 COc1ccc(cc1OC)-c1nn(cc1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1
63718 COc1ccc(NC(=O)CSc2nc(C)cs2)cc1
63719 Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1Cc1ccco1
63720 Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc(F)cc1
63721 CCOc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
63722 CCN(C1CCCCC1)C(=O)COC(=O)\C=C\c1ccccc1
63723 COc1cccc(CC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1
63724 Cc1ccc(\C=C\C(=O)OCC(=O)NCCN2C(=O)CSC2=O)o1
63725 CC(N1CCN(CC1)C(=O)CCl)c1ccccc1
63726 COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1
63727 Cc1cc(=O)[nH]c(NN=C2CCC(CC2)C(C)(C)C)n1 |(16.42,-.49,;15.08,.28,;15.08,1.82,;13.75,2.59,;13.75,4.13,;12.42,1.82,;12.42,.28,;11.08,-.49,;9.75,.28,;8.41,-.49,;8.41,-2.03,;7.08,-2.8,;5.75,-2.03,;5.75,-.49,;7.08,.28,;4.41,-2.8,;3.08,-3.57,;3.64,-1.46,;5.18,-4.13,;13.75,-.49,)|
63728 COc1ccc(cc1C(=O)OCC(=O)NC(C)(C)C)S(=O)(=O)N1CCCCCC1
63729 ClCC(=O)N(C1CCCCC1)c1ccccc1
63730 O=C(N1CCOCC1)c1ccc(s1)-c1nc2ccccc2s1
63731 OC(=O)CCn1cc(C=C2NC(=S)N(C2=O)c2ccccc2)c(n1)-c1ccc(Br)cc1 |w:8.7|
63732 O=C(Nc1ccc(cc1)N1CCCCC1)c1ccccn1
63733 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl
63734 O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1ccco1
63735 Oc1ccc(cc1)N1CCN(CC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCC2)CC1
63736 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2OCOc2c1 |w:14.16|
63737 CN(Cc1cn(nc1-c1ccc(C)c(C)c1)-c1ccccc1)C(=O)CCC(O)=O
63738 C(N=Nc1ccc2ccccc2n1)c1ccc2OCCOc2c1 |w:2.2|
63739 Clc1cc(CN2CCOCC2)c(OC(=O)c2ccccc2Br)c2ncccc12
63740 COc1cc(SC)ccc1C(=O)OCC(=O)NC1CCCC1
63741 FC(F)Oc1ccc(NC(=S)NNc2ccnc3cc(Cl)ccc23)cc1
63742 CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(CC1CCCO1)C1CCS(=O)(=O)C1
63743 Oc1ccc(cc1)C(=O)NN=Cc1cccc(c1)C(F)(F)F
63744 COc1ccc(\C=C\C(=O)N2CCC(CC2)C(N)=O)cc1S(=O)(=O)N1CCOCC1
63745 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NCC(=O)Nc1cccc(c1)S(N)(=O)=O)(C2)C3 |TLB:8:6:30:1.29.2,8:1:30:6.9.5,THB:2:1:9:3.30.5|
63746 COc1ccc(cc1)N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1c(C)nn(C)c1C
63747 CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1
63748 CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(ccc12)S(=O)(=O)N(C)C
63749 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)OCCCN=C1NS(=O)(=O)c2ccccc12 |w:18.18|
63750 CN(C)c1ccc(cc1)-c1nc2N=C3CC(C)(C)CC(=O)C3C(c3cccnc3)n2n1 |t:13|
63751 COc1ccc(cc1-c1nnc2c3ccccc3c(C)nn12)S(=O)(=O)N1CCN(CCO)CC1
63752 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1ccc2OCOc2c1
63753 O=C(N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1)c1ccco1
63754 CCc1ccccc1-n1c(SCC(=O)Nc2ccc3OCCOc3c2)nc2n[nH]cc2c1=O |(9.75,2.64,;8.41,1.87,;7.08,2.64,;7.08,4.18,;5.75,4.95,;4.41,4.18,;4.41,2.64,;5.75,1.87,;5.75,.33,;7.08,-.44,;8.41,.33,;9.75,-.44,;11.08,.33,;11.08,1.87,;12.42,-.44,;13.75,.33,;13.75,1.87,;15.08,2.64,;16.42,1.87,;17.79,2.7,;19.19,1.91,;19.19,.3,;17.79,-.49,;16.42,.33,;15.08,-.44,;7.08,-1.98,;5.75,-2.75,;5.43,-4.24,;3.9,-4.4,;3.28,-3,;4.41,-1.98,;4.41,-.44,;3.08,.33,)|
63755 Cc1ccc(o1)C1C(C#N)C(=N)Oc2[nH]nc(CSc3ccc(C)cc3)c12
63756 CC(=NNC(=O)C(N)=O)c1ccc(O)cc1O |w:2.2|
63757 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#7]\[#7]-c2ccc3-[#8]-[#6]-[#6]-[#8]-c3c2)-[#6](=O)-[#7]-1
63758 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
63759 OC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F
63760 CCOC(=O)c1c(C)c(sc1NC(=O)CNC1CCCc2ccccc12)C(N)=O
63761 CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc2OCOc2c1)C(=O)NCc1ccccc1 |c:5|
63762 O=C(Nc1ccc(cc1)N1CCOCC1)c1cc(nc2ccccc12)-c1ccncc1
63763 COCCn1c(N)c(Sc2ccccc2[N+]([O-])=O)c(=O)[nH]c1=O
63764 C[C@H](N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1nc2c(C)cccc2s1 |c:7|
63765 COc1ccc2oc(=O)c(cc2c1)N1C(=O)c2ccccc2C1=O
63766 NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
63767 Cc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C(O)=O
63768 CCCc1nnc(NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)s1
63769 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NN=Cc2ccncc2)CC1
63770 CC(C)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(c1)[N+]([O-])=O
63771 O=C1N=C(S\C1=C/C=C/c1ccccc1)N1CCCC1 |c:2|
63772 OC(=O)CCN1C(=S)S\C(=C/c2ccc(OCC=C)cc2)C1=O
63773 CC(N=O)C1CCCCC1
63774 C=CCNc1nnnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21
63775 OCCCn1cnc2Oc3c(ccc4ccccc34)C(c3ccccc3)c2c1=N
63776 C(c1ccccc1)n1c[n+](Cc2ccccc2)cn1
63777 CC(CCc1ccccc1)N(CC=C)CC(O)c1cccc(c1)[N+]([O-])=O
63778 Fc1ccc(C=NNC(=O)c2ccc(OCc3ccccc3)cc2)cc1
63779 null
63780 FC(F)(F)c1ccc(cc1)C1=NOC(C1)C(=O)NCc1ccccc1C(F)(F)F |t:11|
63781 CC(C)C[C@H](NC(=O)N1CCCCCC1)C(O)=O
63782 Cc1cc(C)cc(SCc2noc(C(=O)NCc3ccccc3)c2C(=O)NCc2ccccc2)c1
63783 CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1
63784 CCCCc1[nH]nc2CC(C)(C)CC(=NOCC)c12 |w:14.14|
63785 Cc1cc(c2[CH-]C=CC=c2[n+]1=O)[N+]([O-])=O |c:6,8|
63786 CCOc1ccc(cc1)-c1cnc2ccccc2n1
63787 CN1CCc2c(C1)sc(N=Cc1cc(ccc1O)C(C)(C)C)c2C#N |w:9.9|
63788 CCOP(=O)(OCC)c1cccc(OP(=O)(c2cccc(c2)[N+]([O-])=O)c2cccc(c2)[N+]([O-])=O)c1
63789 Nc1cccc(\C=C\C(O)=O)c1
63790 Cc1nc2c(sc3nc(N4CCOCC4)c4COC(C)(C)Cc4c23)c(-c2ccc(Cl)cc2)c1C(O)=O
63791 [O-][N+](=O)c1ncccc1OCC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1
63792 OC(=O)C(CC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl
63793 NS(=O)(=O)c1ccc(CNC(=O)c2cnccn2)cc1
63794 COc1ccc2[nH]c3c(ncn(CCCN4CCOCC4)c3=O)c2c1
63795 CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc(c1)S(N)(=O)=O
63796 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccc(o1)-c1ccc(Cl)cc1
63797 COc1ccc(cc1OC)C(CC=C)Nc1ccccc1
63798 CN1Cc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2CC1(C)C
63799 CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCOC)c1=NC(C)=O |w:25.28|
63800 N(c1cccc2ccccc12)c1nc(nc2ccccc12)-c1ccncc1
63801 CC(=O)Cc1c[nH]c2ccccc12
63802 [O-][N+](=O)c1ccc(SCCc2cc[nH+]cc2)cc1
63803 S=C(NN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1
63804 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
63805 Cc1ccc(cc1)-c1n[nH]cc1C=Nn1c(C)nc2ccccc2c1=O |w:13.15|
63806 COc1ccc2nc(COC(=O)c3cccs3)c(C(C)=O)[n+]([O-])c2c1
63807 C[C+]([N-]NC1=[NH+]CC[N-]1)c1ccc(N)c(c1)[N+]([O-])=O |t:4|
63808 COc1ccccc1Nc1nc(NCCCN(C)C)nc(N)c1[N+]([O-])=O
63809 [H]C12CCC([H])(C1)C(C2)NC(=S)N1CCN(CC1C)c1c(F)cc2c(c1OC)n(cc(C(O)=O)c2=O)C1CC1 |TLB:9:7:6:3.2|
63810 CC1(C)Cc2c(CO1)sc1nc(C3CC3)n(N)c(=O)c21
63811 CC1(C)Cc2c(CO1)c(nc(NCCO)c2C#N)-c1ccco1
63812 COC(=O)[C@H](C)NC(=O)NCCC1=CCCCC1 |t:12|
63813 CCC(CNc1cc(OC)cc2cccnc12)NC1CCCCC1
63814 CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1ccc(N)cc1
63815 Nc1ncnc2n(nc(CC#N)c12)-c1ccccc1
63816 CC(C)Oc1ccc(cc1)C(O)=O
63817 Cn1ccc(OCC=C)nc1=O
63818 COc1ccc(cc1OC)C1C=C(Oc2c1c(=O)oc1ccccc21)c1ccc(OC)c(OC)c1 |c:12|
63819 Oc1c(C=N)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1
63820 CC(C)(NC(=O)c1cc(Cl)c2ccccc2c1O)C(O)=O
63821 CCOC(=O)Cc1cc(O)c2cc(C)ccc2n1
63822 NC(=O)CCC(N1C(=O)c2ccc(O)cc2C1=O)C(O)=O
63823 CC(C)(C)C(=O)C=Cc1ccc(Oc2ccccc2)cc1
63824 Nc1nc(NCc2ccco2)nc(NC2CCCCC2)c1[N+]([O-])=O
63825 Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)-c1ccccc1)C([O-])=O
63826 C(N=Nc1nc2ccccc2s1)c1ccccn1 |w:2.2|
63827 Cc1n(c(C)c2c(C)nnc(C)c12)-c1ccc(N)c(C)c1
63828 Cn1nc(-c2ccc(NCCCO)c(c2)[N+]([O-])=O)c2ccccc2c1=O
63829 Cn1c(N)c(sc1=S)C(=O)Nc1ccc(cc1)-c1ccccc1
63830 CC(=NNC(=O)CN1CCN(Cc2ccccc2)CC1)c1cccs1 |w:2.2|
63831 COc1ccc(CNC(=O)c2sc(=S)n(c2N)-c2ccccc2)cc1
63832 CC(NC1CCN(Cc2ccccc2)CC1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:1.0|
63833 CS(=O)(=O)Nc1nc2ccccc2[nH]1
63834 OCCOCCNc1nc2sc3CCCCCc3c2c(=O)n1Cc1ccco1
63835 Nc1nc(CCl)nc(Nc2cccc3ccccc23)n1
63836 CC(C=Cc1ccc2OCOc2c1)=NNC(=O)c1ccncc1 |w:13.15,3.3|
63837 Cc1ccc(C(=O)ON=C(N)c2ccccc2)c(Cl)c1 |w:8.7|
63838 C(Nc1nc(nc2ccccc12)N1CCN(Cc2ccccc2)CC1)c1ccccc1
63839 O=C(CSC(=S)N1CCCCC1)Nc1ncc2C(=O)CCCc2n1
63840 Cc1ccc(cc1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccs1
63841 CC(Cc1ccccc1)=NNC(=O)CNC(=O)Cc1ccc(Cl)cc1 |w:9.10|
63842 OC(=O)c1cccc(COc2ccc3CCCc3c2)c1
63843 CC1=NN(C(N)=S)C(C)(C)C1 |t:1|
63844 Nc1cc(=O)[nH]c(SCC=C)n1
63845 Nc1ccccc1C(=O)NNC1=C(CCC1)C(=O)C(F)(F)F |t:12|
63846 Clc1ccc(Nc2ccc(Cl)nn2)cc1
63847 O=C(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)N1CCOCC1
63848 CCOC(=O)c1c(CSCc2ccccc2)oc2ccc(O)c(CN(C)C)c12
63849 COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1
63850 NNC(=O)c1nn(cc1O)-c1ccc(Cl)cc1
63851 CCOCCn1c(SCC(=O)OCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
63852 Cc1cc(Cl)ccc1OCC(=O)Nc1nc(cs1)-c1cccnc1
63853 Oc1ccccc1CN=Nc1nnn[nH]1 |w:8.8|
63854 COC(=O)C1C(c2cccc(O)c2)c2c(N=C1C)n(C)c(=O)n(C)c2=O |c:16|
63855 CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NCc1cccs1
63856 OC(=O)CCN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
63857 COc1ccc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)cc1OC |w:7.7|
63858 OC(=O)c1ccccc1C=NNC(=O)CSc1nc2ccccc2s1
63859 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2ccncc2)c1
63860 COc1c[c-](\C=[NH+]\NC(=O)c2cncc(Br)c2)cc([N+]([O-])=O)c1=O
63861 O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1
63862 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)C(N)Cc1ccc(O)cc1
63863 CC(=O)c1ccc(OCC(O)CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1
63864 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)NCc2nc3ccccc3[nH]2)c2ccc3OCOc3c2)cc1 |c:11|
63865 CC(=C)C(=O)O[C@H]1CC(C)=CC(=O)C=C(C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@H]12 |w:13.12,10.10|
63866 [H][C@]12[C@@H](O)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C(O)C(=O)C[C@@]4(C)C4C(O)[C@H](O)[C@@]1(OC[C@@]234)C(=O)OC |t:13|
63867 [H][C@@]12N(C)c3ccccc3[C@@]11C[C@H](N(C(=O)CC(C)C)C1=NC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:23,29|
63868 COC(=O)CCCC1=CC2=C(C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CN1c1ccc(OC)cc1)c1ccccc1 |c:27,t:7,9|
63869 Cc1ccc(cc1NC(=O)c1ccno1)C(=O)Nc1cccc(c1)C(F)(F)F
63870 COc1cc(NC(=O)c2cc3cccc(OC)c3o2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
63871 Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1N |(12.42,-.73,;10.88,-.73,;9.98,-1.97,;10.46,-3.44,;10.93,-4.9,;8.52,-1.5,;7.19,-2.27,;5.85,-1.5,;4.48,-2.33,;3.08,-1.53,;3.08,.07,;4.48,.86,;5.85,.04,;7.19,.81,;8.52,.04,;9.98,.51,;10.46,1.97,;11.96,2.29,;12.44,3.75,;11.41,4.9,;9.91,4.58,;9.43,3.12,;7.92,2.8,)|
63872 CNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1
63873 COc1ccc2C(Nc3ccc(cc3)S(=O)(=O)NC(N)=N)OC(=O)c2c1OC
63874 CCc1ccn2cc(nc2c1)-c1cc(no1)-c1ccccc1
63875 CN(C)c1ccc(cc1)C1Nc2ccccc2C(=O)N1CCCN1CCOCC1
63876 CC(C)(C)c1ccccc1NC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1
63877 Cc1noc(C)c1C(=O)N1CCC(CC1)C(=O)c1ccccc1
63878 CSc1nc2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc2s1
63879 Cc1cc(C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1
63880 Cc1nn(c(C)c1C=NOC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)(C)C |w:8.9|
63881 COc1ccc2nnc(-c3ccc(cc3)C(F)(F)F)n2n1
63882 CCOc1ccc(cc1)N1CSC(=S)N(C1)c1ccc(OCC)cc1
63883 COc1ccc(CCNCC(O)Cn2ccc3ccccc23)cc1OC
63884 Cc1nc2n(cnc2c(=O)n1NC(=O)CN1CCOCC1)-c1ccccc1
63885 Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c1
63886 Cc1onc(c1C(=O)c1ccccc1)-c1c(F)cccc1Cl |(7.42,3.93,;6.52,2.68,;4.98,2.68,;4.5,1.22,;5.75,.31,;6.99,1.22,;8.46,.74,;9.49,-.4,;9.6,1.77,;11.07,1.3,;12.21,2.33,;11.89,3.83,;10.43,4.31,;9.28,3.28,;5.75,-1.23,;7.08,-2,;8.62,-2,;7.08,-3.54,;5.75,-4.31,;4.41,-3.54,;4.41,-2,;3.08,-1.23,)|
63887 CC(=O)c1cnn(c1C)-c1c(Cl)cc(Cl)cc1Cl |(6.8,5.59,;7.42,4.18,;8.95,4.02,;6.52,2.94,;4.98,2.94,;4.5,1.47,;5.75,.57,;6.99,1.47,;8.46,1,;5.75,-.97,;4.41,-1.74,;3.08,-.97,;4.41,-3.28,;5.75,-4.05,;5.75,-5.59,;7.08,-3.28,;7.08,-1.74,;8.41,-.97,)|
63888 Clc1ccc(NS(=O)(=O)c2ccc(Oc3c(cccc3C#N)C#N)cc2)cc1
63889 CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
63890 CCCCNc1nc2cccnc2s1
63891 Cc1cc(C)c(\N=C2/SCC(=O)N2Cc2ccco2)c(C)c1
63892 CC(=O)c1c(C)onc1-c1ccc(Cl)cc1Cl
63893 Cn1ncc2c(ON=C(N)c3ccc(cc3)C(C)(C)C)ncnc12 |w:7.6|
63894 [H]C12CC(NC(=S)NN)C([H])(C1)C1C=CCC21 |c:14,TLB:13:12:11:3.2,THB:4:3:16.12:11,15:16:11:3.2|
63895 Fc1ccc(cc1)C(=O)Oc1cc(=O)oc2c3cccc4CCn(c34)c(=O)c12
63896 COC(=O)CCN1CCc2cc(ccc12)\N=N\c1ccc(cc1)[N+]([O-])=O
63897 CCOC(=C)c1sc(S)nc1O
63898 CN1N=C2C(CCc3ccccc23)C1c1ccc(cc1)C(F)(F)F |c:2|
63899 Cc1cc(C)c(NC2=NC3(CCCCC3)C(=C)S2)c(C)c1 |t:7|
63900 S=C1SCN(Cc2cccnc2)CN1Cc1cccnc1
63901 CN(NC1OC(=O)c2ccccc12)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
63902 Cc1nc(C(=O)NNC(=O)c2cccc(Cl)c2)c(o1)C(F)(F)F
63903 OC(=O)\C=C\C(=O)Nc1cc(F)ccc1F
63904 Cc1cc(nn1C(C)(C)C)C(=O)NNS(=O)(=O)c1ccc(F)cc1
63905 Cc1nc2ccccn2c1-c1ccnn1S(=O)(=O)c1ccc(F)cc1 |(9.64,-1.83,;8.1,-1.83,;7.2,-3.07,;5.75,-2.6,;4.41,-3.37,;3.08,-2.6,;3.08,-1.06,;4.41,-.29,;5.75,-1.06,;7.2,-.59,;7.68,.88,;6.78,2.12,;7.69,3.37,;9.15,2.89,;9.15,1.35,;10.39,.44,;11.3,1.69,;9.49,-.8,;11.64,-.47,;11.47,-2,;12.72,-2.9,;14.13,-2.28,;15.37,-3.19,;14.29,-.75,;13.05,.16,)|
63906 OC(=O)C1CCC(=O)N(C2CCCCC2)C1c1ccccc1Cl
63907 Cc1cc(cc(CN2CCCC2)c1O)N=Nc1ccc(Cl)cc1 |w:14.15|
63908 COc1nc(N)c(C#N)c(-c2ccc(cc2)N(C)CCC#N)c1C#N
63909 OCCCNc1nccc(n1)-c1cc(Nc2cccc(Cl)c2)ncn1
63910 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cccc5[nH]ccc45)c3)cc2C(F)(F)F)CC1
63911 Cc1ccc(C=CC(=O)Nc2ccc(O)c3c2oc(cc3=O)-c2ccccc2Cl)cc1 |w:6.6|
63912 NC(=O)c1cc2ccncc2c2ccccc12
63913 CCCC[C@@H]1CNC(=O)C(=O)N1CCc1cccc2ccccc12
63914 CCOC(=O)C1=C(C)N(CCC(O)=O)C(=O)NC1c1ccccc1Cl |c:5|
63915 COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccc(cc1)C#N |c:4|
63916 CC1(C=CC2(CCCCC2)N1C(=O)c1ccccc1)C(=O)NCCCNc1ncc(cc1Cl)C(F)(F)F |c:2|
63917 COc1cc(CCCN2CCNC[C@@H]2Cc2ccc(O)cc2)cc(OC)c1OC
63918 Oc1ccc2ccccc2c1NS(=O)(=O)c1cccc2ccccc12
63919 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
63920 FC(F)(F)[C@]1(C[C@H](CCc2ccccc2)CCCO1)C(=O)NCc1ccccc1
63921 CCC1=Nc2ncnn2C(C1)c1ccccc1 |t:2|
63922 COc1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
63923 COc1ccc(CCNC(=O)c2cccc(c2)[N+]([O-])=O)cc1OC
63924 CCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
63925 COc1ccc(NS(=O)(=O)c2ccc(s2)-c2ccccn2)cc1
63926 O=c1o[nH]c(c1-c1ccccc1)-c1ccccc1
63927 Oc1ccc2oc(c(C=O)c2c1)-c1ccc(Cl)cc1
63928 COc1nc(-c2ccccc2)c2cc(Br)ccc2n1
63929 Fc1cccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
63930 CCN(C(=O)Cn1c(C)ncc1[N+]([O-])=O)c1ccccc1
63931 Cn1c(cc2cc(OCc3ccccc3)ccc12)C(=O)NN
63932 COc1ccc(cc1)-n1cc([N+]([O-])=O)c(=O)c2ccc(Cl)cc12
63933 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(cc1)N(CC(O)=O)S(C)(=O)=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
63934 CCOc1ccc(CNC(c2ccccc2)c2ccccc2)cc1
63935 O=C(CCC1CCCNC1)c1ccccc1
63936 [O-][N+](=O)c1ccccc1C(=O)CC(=O)c1ccccc1
63937 CN(c1ccccc1)c1ncccn1
63938 COc1ccc(OC)c(c1)-c1cc(C(=O)NN=Cc2cc(OC)c(OC)cc2OC)c2ccccc2n1
63939 CCCCOc1ccc(cc1)N=Cc1ccc[nH]1 |w:11.11|
63940 Fc1ccc(CC(=O)Oc2ccc(C=O)cc2)cc1
63941 COC(=O)C1=CN(C=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OC)c1ccc(F)c(F)c1 |c:7,t:4|
63942 CSc1nsc(SCC(=O)NCc2ccc(C)cc2)n1
63943 COc1ccccc1CN1CCCC(CN(CCN(C)C)C(=O)C2CCCC2)C1
63944 CC1CCN(CC(=O)NC2CCCCC2)CC1
63945 [O-][N+](=O)c1ccc(nc1)N1CCN(Cc2ccc3OCOc3c2)CC1
63946 CCOc1nc(C)ccc1-c1noc(n1)-c1cccnc1
63947 COc1ccc(cc1OC)C(=O)C1CCCN(Cc2ccc(NC(C)=O)cc2)C1
63948 COc1ccc(OC)c(c1)N=CCC(=O)c1ccccc1 |w:10.10|
63949 Cc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)cc1
63950 COc1cccc(CN(C)CC2CCCN(CCc3ccc(Cl)cc3)C2)c1OC
63951 CC(CCCC(C)(C)O)NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1
63952 COc1cc(cc(OC)c1OC)C(=O)N(C)C1CCCN(Cc2ccccc2F)C1
63953 CCOc1cc(ccc1OS(=O)(=O)c1ccc(OC)cc1)C(=S)N1CCOCC1
63954 OC1(CCN(Cc2cccc(Br)c2)CC1)c1ccc(Br)cc1
63955 COc1cc(N2N=C(CC2c2ccccc2)c2ccccc2)c(C=O)cc1C=O |c:6|
63956 CC1(C)CC(=O)C=C(C1)Nc1ccc(Br)cc1F |c:6|
63957 COc1nn(-c2ccccc2)c(=O)c(Cl)c1Cl
63958 CC1CN(CC(O)COc2cc(C)cc(C)c2)CC(C)O1
63959 CSc1nccn1C(=O)c1ccccc1[N+]([O-])=O
63960 COc1ccc(CNC(C)CCc2ccccc2)cc1
63961 Clc1ccccc1C(=O)Nc1ccc2[nH]ncc2c1
63962 COc1ccc(CN2CCC(=CC2)c2ccc(F)cc2)cc1Br |c:10|
63963 Cc1oc(N=Cc2ccccc2)c(C#N)c1C
63964 COc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1
63965 COc1ccc(CC(=O)NCC2CCCN(Cc3ccccc3Cl)C2)cc1
63966 CCOc1ccccc1N1CCN(CC(=O)NC(C)c2ccccc2)CC1
63967 Clc1ccccc1NC(=O)NCCN1CCCCC1
63968 COc1ccc(cc1)N1CCN(CC1)c1ccc(NC(=O)NN)cc1
63969 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
63970 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1ccc(CC)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
63971 Cc1ccc(c(OCCCN2CCC(Cc3ccccc3)CC2)c1)[N+]([O-])=O
63972 CCN(Cc1cc(=O)oc2cc(C)ccc12)c1ccccc1
63973 COC(=O)CCNC(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1
63974 COc1cccc(CC2(CO)CCN(CC2)S(=O)(=O)c2ccc(OC)cc2OC)c1
63975 COCC(C)NC(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
63976 COc1ccc(CC(C)Nc2cccc(SC)c2)cc1
63977 [O-][N+](=O)c1ccc(NCCOc2ccccc2Cl)nc1
63978 Fc1ccccc1C(=O)NCCNc1ccnc2cc(Cl)ccc12
63979 COc1ccc(CCNCc2ccsc2)cc1OC
63980 CCC(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
63981 COC(=O)C(c1ccccc1)C1(O)CC(C)N(C)CC1C
63982 COc1ccccc1N1CCN(CC1)C(=S)Nc1ccc(F)cc1
63983 CC(=O)NC(Nc1nc(C)cc(C)n1)=Nc1ccc2ccccc2c1 |w:14.15|
63984 Cc1ccccc1OCC(=O)Nc1ccc(cc1)[N+]([O-])=O
63985 CC(C(=O)c1ccccc1)n1ccc(cc1)=[NH+]C(C)=O |(4.83,5.57,;3.49,6.34,;2.16,5.57,;.83,6.34,;2.16,4.03,;.83,3.26,;.83,1.72,;2.16,.95,;3.49,1.72,;3.49,3.26,;3.49,7.88,;2.16,8.65,;2.16,10.19,;3.49,10.96,;4.83,10.19,;4.83,8.65,;3.49,12.5,;4.83,13.28,;4.83,14.82,;6.16,12.5,)|
63986 COc1ccc(\C=C\C(=O)N2CCN(CC2)c2ccccn2)cc1OC
63987 Cc1ccc(O)c(C=NNC(=O)CN2CCCC2)c1 |w:8.8|
63988 OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2F)c1
63989 Cc1c(Cl)cccc1NC(=O)CS(=O)(=O)c1ccccc1
63990 NS(=O)(=O)c1ccc(CCNCC#Cc2ccccc2)cc1
63991 Nc1nc(Oc2ccc(F)cc2)c(Br)c(=O)[nH]1
63992 Cc1ccc(cc1)C(=O)Nc1ccc(cc1NC(=O)c1ccc(C)cc1)C(O)=O
63993 OC1N(C(=O)c2ccccc12)c1ccccc1
63994 CCOc1ccc(cc1)-c1cnc(NCc2cccc3ccccc23)n1CCOC
63995 COc1ccc(cc1)-n1c(COc2cccc(C)c2)n[nH]c1=S
63996 CN1CCN(CC1)C(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
63997 CN1C(=S)NC(=O)\C(=C/c2sccc2C)C1=O
63998 CCCOc1ccc(CC(=O)NN=Cc2ccc(F)cc2)cc1
63999 CCOc1cc(\C=C2\C(=O)N=C3SC(C)=NN3C2=N)ccc1OCCOc1ccccc1 |c:14,t:10|
64000 CCc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O
64001 CCOc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(OC(C)=O)ccc12
64002 CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(F)cc1
64003 COc1ccccc1Nc1ccc2nonc2c1[N+]([O-])=O
64004 CCOc1c(C)cc(c(C)c1C)S(=O)(=O)NCc1cccnc1
64005 COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
64006 Cc1ccc(NC(=O)CCN2CCCCC2)cc1
64007 COc1ccc(NC(=O)c2cccnc2)cc1OCC(C)C
64008 CC(C)(C)C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
64009 COc1cc(C=NN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC(C)=O
64010 CCCC(C)NC(=O)C1c2ccccc2Oc2ccccc12
64011 Cc1cc(-c2ccccc2)c2ccc(NC(=O)C(C)(C)C)nc2n1
64012 Cn1c(Oc2cccc(O)c2)nc2n(C)c(=O)n(C)c(=O)c12
64013 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1ccccc1F)C(=O)OC |c:19,t:4|
64014 OC(=O)c1ccc(cc1)-n1c(O)cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1O
64015 CCOc1ccc(CNCCCSc2ncccn2)cc1OC
64016 CC(C)(C)[C@@H]1C[C@H](OCCCCO)OC(=C1)C(=O)Nc1ccccc1 |c:14|
64017 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
64018 Cc1ccc2n(CC(O)CN3CCOCC3)c3CCCCc3c2c1
64019 CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1O
64020 CC(C)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
64021 Oc1cccc(NC(=O)c2cc(on2)-c2ccccc2Cl)c1
64022 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccn2)c1=O
64023 Cc1cc(O)c(C=Nc2ccc(cc2)N2CCOCC2)c(C)c1Cl |w:7.7|
64024 CCCC(=O)NC(c1ccc(cc1)C(C)C)c1ccc2cccnc2c1O
64025 CN(CC(=O)Nc1ccc(C)c(Cl)c1)C1CCCCC1
64026 Cn1ncc(c1C(=O)Nc1ccccc1Cl)[N+]([O-])=O
64027 CC[n+]1c(\C=C\c2cc(ccc2O)[N+]([O-])=O)ccc2ccccc12
64028 CCN(CC)c1nc2n(C)c(=O)[nH]c(=O)c2n1CCOc1ccccc1
64029 CC(Sc1nnc(COc2ccc(C)cc2)n1-c1ccccc1)C(O)=O
64030 CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
64031 OC(=O)CSc1nnc2c3ccccc3n(CC=C)c2n1
64032 CC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O
64033 CCOC(=O)C1CCCN(CCC(=O)Nc2cc(OC)ccc2OC)C1
64034 Clc1cccc(NC(=O)N2CCOCC2)c1
64035 Cc1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1
64036 Nc1ccc2C(C(C#N)C(=N)Oc2c1)c1ccccc1Cl
64037 COc1ccc(CN=Nc2nc(C)cc(=O)[nH]2)cc1OC |w:8.8|
64038 CCOC(=O)c1cnc2ccc(cc2c1NCCCN1CCOCC1)C(=O)OC
64039 [O-][N+](=O)c1cccc(c1)C(=O)N1CCc2ccccc12
64040 [H]C12CCCC([H])(CC(C1)NC(=S)NCCC)N2Cc1ccc(F)cc1
64041 CCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2F)c1=O
64042 CC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
64043 NC(=O)C1CCN(CC(=O)Nc2nc(cs2)-c2ccccc2)CC1
64044 CN1CCc2c(C1)[nH]c1ccc(C)cc21
64045 Fc1ccc(NC(=S)NCc2ccccc2)cc1
64046 CCOC(=O)C1(C)NC(c2c(O)n(c(O)c12)-c1ccccc1)c1ccc(O)cc1
64047 Cc1ccc(c(C)c1C)S(=O)(=O)Nc1cccnc1
64048 CCOc1ccc(C=NNC(=O)C(O)c2ccccc2)c(O)c1 |w:8.8|
64049 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1cccc(O)c1
64050 CC(C)CC(=O)N1CCN(Cc2ccccc2C)CC1
64051 Clc1ccc(C(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c(Cl)c1
64052 Cn1c(=O)n(Cc2ccccc2Cl)c2ccccc2c1=O
64053 Cc1cccc(C)c1NC(=O)c1cccnc1
64054 CCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
64055 Cc1ccc2nc(-c3ccccc3NC(=O)CCC(O)=O)c(=O)[nH]c2c1
64056 CN(C(=O)OC(C)(C)C)c1ccc(cc1)-c1nc2ccccc2s1
64057 Cc1ccccc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12
64058 CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O
64059 COc1cc(NS(=O)(=O)c2ccc(NC(=O)\C=C\C(O)=O)cc2)nc(OC)n1
64060 COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(C)(C)N1C(=O)CCl
64061 COc1ccc(cc1)[C@@H]1C[C@H](Oc2c(C)ccc(C(C)C)c12)c1ccccc1
64062 COc1cccc(\C=C(/C#N)c2nc3ccccc3[nH]2)c1OCC(O)=O
64063 CN(C)c1ccc(cc1)N1[C@@H](CC(C)=O)c2cc(F)ccc2S1(=O)=O
64064 CC(C)(C)N1[C@@H](CC(O)=O)c2cc(ccc2S1(=O)=O)C(F)(F)F
64065 Fc1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
64066 [O-][N+](=O)c1cccc(CN2[C@@H](Cc3ccccc3)COCCS2(=O)=O)c1
64067 OC(=O)c1cccc2cc(oc(=O)c12)-c1ccccc1
64068 CC1(C)Cc2c(CO1)c(nc(SCCC#N)c2C#N)N1CCOCC1
64069 CC(C)CC(NC(=O)C1CCCN1C(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)NCC(N)=O
64070 COc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2cccc(c2)C(O)=O)cc1
64071 CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccncc1 |w:17.18|
64072 CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(O)=O
64073 COc1ccc(cc1)S(=O)(=O)C(C=Nc1cccc(OC)c1)C#N |w:13.14|
64074 CSCCC(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C)C(O)=O |c:28,t:24|
64075 Cn1c(\C=C\c2ccccc2)nc2ccccc2c1=O
64076 CC(C)n1cc(CN=Nc2ccc(cc2)C(O)=O)c2ccccc12 |w:7.6|
64077 CC(C)(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccccn2)cc1
64078 Cc1cc(Nc2cccc(Cl)c2)nc(n1)-c1ccccc1O
64079 CC(C)c1ccc2oc(=O)cc(CN3CCCCC3)c2c1
64080 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:29.30,8.7,(12.42,-10.21,;11.08,-9.44,;10.31,-10.77,;11.85,-8.1,;9.75,-8.67,;9.75,-7.13,;11.08,-6.36,;8.41,-6.36,;8.41,-4.82,;7.08,-4.05,;5.75,-4.82,;4.41,-4.05,;3.08,-4.82,;3.08,-6.36,;4.41,-7.13,;5.75,-6.36,;9.75,-4.05,;11.08,-4.82,;9.75,-2.51,;11.08,-1.74,;11.08,-.2,;12.42,.57,;12.42,2.11,;11.08,2.88,;9.75,2.11,;9.75,.57,;11.08,4.42,;9.75,5.19,;12.42,5.19,;12.42,6.73,;11.08,7.5,;11.08,9.04,;9.75,9.81,;12.42,9.81,;13.75,7.5,;13.75,9.04,;15.08,6.73,)|
64081 Cc1nc(sc1C1(C)CC(=NO1)c1ccc(Cl)cc1)-c1ccc(Cl)cc1 |c:10|
64082 OC1(CCCCC1)C#Cc1ccc2sc3ccccc3c(=O)c2c1
64083 CCOC(=O)c1ccc(NC(=S)Nc2ccccc2N)cc1
64084 Fc1ccccc1N1CCN(Cc2cc(on2)-c2ccccc2)CC1
64085 CN(C)S(=O)(=O)c1cccc(c1)-c1nnc(o1)-c1cc(C(=O)NN)c(C)nc1C
64086 COc1ccc(cc1)N1C(c2c(O)ccc3ccccc23)C(C)(C)C1=O
64087 Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccccc1
64088 CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccc(cc1)C(C)(C)C
64089 COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
64090 CSc1ncc(C(=O)Nc2cccnc2)c(n1)C(F)(F)F
64091 CCOC(=O)CSc1ccc(cc1[N+]([O-])=O)C(=O)NCCCN1CCOCC1
64092 Cc1nc2c(cnn2c(N2CCOCC2)c1CC=C)-c1ccccc1
64093 COC(=O)COc1ccc2C(=O)\C(Oc2c1C)=C\c1ccco1
64094 COc1cc2CCN=C(CC(=O)c3ccc(C)cc3)c2cc1OC |t:7|
64095 CCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C
64096 OC(=O)Cn1c(=O)n(Cc2ccc(Cl)cc2Cl)c2sc3CCCCc3c2c1=O
64097 Cc1ncc(n1CC(=O)Nc1ccc(F)cc1)[N+]([O-])=O
64098 OC(=O)c1ccc(CN2C(=O)c3cccc4c(ccc(C2=O)c34)[N+]([O-])=O)cc1
64099 COc1ccc(cc1C)C(=O)CSc1nc(C)cc(=O)[nH]1
64100 Cc1ccc(C)c(c1)N1CCN(CCN2CCCCC2)CC1
64101 COc1cccc(NC(=O)Nc2nnc(Cc3ccccc3F)s2)c1
64102 Brc1c[nH]c(c1)C(=O)N1CCSCC1
64103 Cc1ccc(cc1)S(=O)(=O)c1ncccc1[N+]([O-])=O
64104 [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
64105 CC1COc2ccccc2N1C(=O)c1ccc(F)cc1
64106 CN1CCN(CC1)c1ccc(NC(=O)N2CCc3ccccc23)cc1
64107 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C)c1
64108 [O-][N+](=O)c1ccccc1CCc1cnc(Cl)s1
64109 Cc1nnsc1S(=O)c1ccc(Cl)c(Cl)c1
64110 CCCCN(C)CCNC(=O)c1cc2c(nn(C)c2s1)-c1ccccc1F
64111 COCCn1c(C)c(C)c2c(NCCc3ccccc3)ncnc12
64112 CC(C)(C)C(CN1CCCC1)OC(=O)c1ccccc1
64113 CCCC(NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(C)c12)C(O)=O
64114 COc1cccc(c1)-c1c(NC(C)=O)n(C)c2ccccc2c1=O
64115 Cc1c(O)ccc2c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(O)=O)cc(=O)oc12
64116 OC(=O)c1cccc(Nc2ccnc(Nc3cccc(c3)C(O)=O)n2)c1
64117 COc1cc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c(cc1OC)C(O)=O
64118 COc1cccc(c1)-c1csc(NC(=O)Nc2ccccc2)n1
64119 CN(C)c1ccc(CNc2ccc3n(cnc3c2)C(C)(C)C)cc1
64120 CCCN1CCN([C@H](CSc2ccccc2)Cc2ccccc2)C(=O)CC1
64121 COc1cccc(c1)C(=O)CC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1
64122 CC1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccccc1F |t:8|
64123 CC(C)c1ccc(OCCCN2CCCC2)cc1
64124 Oc1ccc(Br)cc1CN=Nc1ccccn1 |w:9.9|
64125 COc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:8.8|
64126 Cc1ccc2c(c1)[N+](Cc1ccc(cc1)[N+]([O-])=O)=C[N-]S2(=O)=O |c:19|
64127 Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1ccc(Br)cc1
64128 COc1ccccc1C(O)(C(=O)N(NC(C)=O)c1ccccc1)c1ccccc1OC
64129 CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
64130 COc1cccc(Nc2ccc(cc2N)C(O)=O)c1
64131 CC(C)(C)c1ccc(cc1)C(=O)NCCOc1ccccc1F
64132 CCCNC(=O)c1ccc(COc2ccc(CCC)cc2OC)o1
64133 COc1ccc(C=O)cc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O
64134 Cc1cccc(C)c1OCC(=O)NCc1ccccc1
64135 CCC(C)c1ccc(OCc2ccc(o2)C(O)=O)cc1
64136 Cc1cc(C)cc(c1)-n1c(O)cn(Cc2ccccc2)c1=S
64137 COc1cc(NS(=O)(=O)c2csc(c2)C(N)=O)cc(OC)c1
64138 CNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc12)Cc1cccnc1
64139 COc1cccc(NC(=S)N(CCC(C)C)C2CCN(CC2)C(C)=O)c1
64140 Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(OCC=C)cc2)c(=O)n(-c2ccccc2)n1C
64141 O=C(Cn1nc(ccc1=O)-c1ccccc1)N1CCCCC1
64142 COc1ccc(C=NN(C)C2=NCCN2)c(OC)c1OC |t:10|
64143 CCn1c(C(O)=O)c(CC(=O)Nc2ccccc2OC)c2ccccc12
64144 COc1cc(ccc1O)C1C(C#N)C(=N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 |c:20|
64145 CN1CCN(CC1)c1ccc(CNC(=O)c2ccc(C)c(C)c2)cc1
64146 ClCC(=O)N(Cc1ccccc1OCC=C)c1ccc2OCOc2c1
64147 CCNC(=O)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
64148 [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1ncc(Br)cn1
64149 CCOC(=O)Cc1csc(NC(=O)Nc2cccs2)n1
64150 CC(=O)Nc1ccc(cc1)-c1cn2CCSc2n1
64151 N#C\C(=C/c1ccccn1)c1ccccn1
64152 CCCS(=O)(=O)c1cnc(nc1N)C1COc2ccccc2O1
64153 CCc1ccc(cc1)C(CNc1nc(nc2ccccc12)C(F)(F)F)N(C)C
64154 Cc1ccc(F)cc1NC(=O)CCNC(=O)c1ccc(cc1)[N+]([O-])=O
64155 CC(C)(C)C(=O)OCc1nc(cs1)-c1ccc2OCCOc2c1
64156 CC(=O)Nc1cccc(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O
64157 O=C(NCCc1ccccc1)c1ccc2OCCCOc2c1
64158 COc1ccccc1C1NC(=O)CCC1[N+]([O-])=O
64159 CCOC(=O)CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1
64160 CCC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccco1 |w:3.3|
64161 O=C(Nc1ccc(CC#N)cc1)Nc1cccc2ccccc12
64162 [O-][N+](=O)c1ccc(Nc2ccc(F)cc2)cc1
64163 COc1ccc(cc1)-n1c(C)c(C)c2c(N)ncnc12
64164 COc1cccc(\C=C\C(=O)NCc2ccc3OCOc3c2)c1
64165 Cc1onc(c1C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1C)-c1ccccc1
64166 COC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)c1sc2ccccc2c1Cl
64167 CCc1nnc(N=NCc2ccc(OC(C)=O)c(OC)c2)n1N |w:6.5|
64168 ClCC(=O)N1CCCC1c1ccc2OCCOc2c1
64169 Oc1ccccc1N1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12
64170 CC(C)(C)c1ccc(Cn2c3ccccc3ncc2=O)cc1
64171 OC(=O)c1cc(nc2ccccc12)-c1cccc2ccccc12
64172 Nc1ccc(cc1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
64173 O=C(C#Cc1ccccc1)c1ccco1
64174 Oc1ccc(CC(=O)NC2CCCCCC2)cc1
64175 FC(F)(F)c1ccc(cc1)[C@H]1C[C@H](NS(=O)(=O)O1)c1ccccc1
64176 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1cc(C)on1
64177 Cc1cc(C)cc(OCC(O)CN2CCN(CC2)C(=O)c2ccco2)c1
64178 Cc1ccc(cc1C)-c1cn(-c2ccccc2)c(=S)[nH]1
64179 Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(Cl)c1
64180 Oc1cc2ccccc2c(=O)n1-c1cccc(Cl)c1
64181 CCc1cccc2c(c[nH]c12)-c1csc(NCCOC)n1
64182 COc1ccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1OC
64183 CCCOc1ccc2cc(C(=O)NCc3ccccc3)c(=O)oc2c1
64184 CC(C)(C)c1ccc(C=Nn2c(O)csc2=S)cc1 |w:9.9|
64185 CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(cc1)C(C)(C)C |w:2.2|
64186 CSc1ccc(CN(C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1
64187 COc1ccc(\C=C\C(=O)Nc2ccccc2C(=O)NCC(N(C)C)c2ccc(OC)cc2)cc1
64188 COc1ccccc1CNC(=O)N1CCN(CC1)c1ccccc1C
64189 CCN(Cc1ccc2OCOc2c1)C(=O)\C=C\c1cccc(Br)c1
64190 CC(C)Sc1nc2sccc2c(=O)n1-c1ccccc1
64191 Cc1ccc(NC(=O)NC(=O)CN2CCN(CC2)c2ccc(O)cc2)c(C)c1
64192 CC(C)CC(=O)Nc1c2CS(=O)Cc2nn1-c1ccc(F)cc1
64193 [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1 |TLB:9:7:6:3.2|
64194 COC(=O)c1ccc(CNC(=O)C(NC(=O)c2ccco2)C(C)C)cc1
64195 CC(=O)Nc1ccc(SCC(=O)N2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
64196 CCOc1ccc(CNC(=O)c2ccc3nc(sc3c2)N2CCOCC2)cc1
64197 CC(C)(C)NS(=O)(=O)c1cc2CCN3c2c(CCC3=O)c1
64198 O=C(N1CCCCC1)N1CCN(CC1)S(=O)(=O)c1ccccc1
64199 CC(=O)Nc1c(oc2ccccc12)C(=O)Nc1ccc2OCOc2c1
64200 COc1ccc(cc1)-c1cn(nc1CO)-c1ccccc1
64201 Nc1ccccc1SCC(=O)Nc1ccc2OCCOc2c1
64202 CC(C)CCc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O
64203 Cc1ccc(NC(=O)N2CCCC2C(=O)NCC2CCCCC2)cc1
64204 COc1ccccc1NC(=O)C1CCN(CC1)C(=O)C1CN(C(=O)C1)c1ccc(C)cc1
64205 Cc1ccc(OCC(=O)NCCNC(=O)c2ccco2)cc1C
64206 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(s1)C1CCCCC1
64207 Cc1ccc(C=NNC(=O)Cc2noc3ccccc23)cc1
64208 COc1cc(=O)[nH]c(SCC(=O)Nc2nc3CCCCc3s2)n1
64209 Oc1c(Br)cc(C=NNC(=O)CNC(=O)c2cccnc2)cc1Br |w:7.7|
64210 CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)C(O)=O
64211 CCOc1cc(cc(Br)c1OC)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
64212 CC1CCN(CC1)c1ccc(nn1)-c1cccs1
64213 CCN(CC)CCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 |(12.62,8.86,;11.29,8.09,;9.95,8.86,;9.95,10.4,;11.29,11.17,;8.62,8.09,;8.62,6.55,;7.29,5.78,;7.29,4.24,;5.95,3.47,;4.62,4.24,;5.95,1.93,;7.29,1.16,;7.29,-.39,;5.95,-1.16,;5.95,-2.7,;4.62,-3.47,;4.62,-5.01,;3.08,-5.01,;6.16,-5.01,;4.62,-6.55,;3.29,-7.32,;3.29,-8.86,;4.62,-9.63,;4.62,-11.17,;5.95,-8.86,;5.95,-7.32,;4.62,-.39,;4.62,1.16,)|
64214 Oc1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccccc1 |t:8|
64215 COc1ccc(cc1OC)-c1cc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1
64216 Fc1ccc(CCNCC(=O)Nc2cc(F)ccc2F)cc1
64217 Cc1[nH]c(=O)c(cc1-c1csc(n1)-c1ccccc1)C#N
64218 Cc1ccc(cc1)C(=O)Nc1ccc2C(=O)NC(=O)c2c1
64219 CC(N=Nc1nncc2ccccc12)c1ccc(Cl)c(c1)[N+]([O-])=O |w:3.3|
64220 CN(C)CCNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
64221 COc1cc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1
64222 CCOC(=O)c1c(C)[nH]c(C(=O)N\[NH+]=C\[c-]2cc(ccc2=O)[N+]([O-])=O)c1C
64223 CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNCc2ccccc2OC)c1
64224 CCN1C(NCCc2cccs2)=N[C@@H](c2cccs2)C(C(=O)OC)=C1C |c:12,25|
64225 CCN1c2cc(ccc2S(=O)c2ccccc2C1=O)C(=O)NCc1ccc(OC)cc1
64226 O=C(NCc1ccccc1)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12
64227 COc1ccc(OC)c(NC(=O)C2CCCN(C2)S(=O)(=O)c2c(C)nn(C)c2C)c1
64228 CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1nc[nH]c1C(=O)NCC(=O)OCc1ccccc1
64229 COc1ccc(cc1)N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1c(C)noc1C
64230 CC(CC(=O)Nc1ccccc1C(F)(F)F)=NNC(=O)c1cnccn1 |w:16.17|
64231 CN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1F
64232 Cc1cc(C)cc(c1)N(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
64233 CCN(C(=O)c1ccc2c(SCC(O)=O)c3CCCc3nc2c1)c1cc(Cl)ccc1OC
64234 CN(C(=O)CN(C)S(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1)c1ccc(C)cc1
64235 COCCCNC(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1OC
64236 CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1
64237 CCc1cccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2cccs2)c1
64238 CCC1CCCCN1CCCNC(=O)CSc1nc2nc(C)c(Cc3ccc(C)cc3)c(C)n2n1
64239 CCCCOc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1
64240 Cc1ccc(cc1)S(=O)(=O)N1CCN(CCNC(=O)C(=O)NCc2ccccc2)CC1
64241 CCOc1ccc(CNS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1OC
64242 CCc1nn2c(nc(C)c(c2=O)S(=O)(=O)Nc2cccc(F)c2)s1
64243 Cc1csc2nc(C)c(c(=O)n12)S(=O)(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
64244 Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
64245 CCCC1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCCCN1CCN(C)CC1 |t:3|
64246 CCOc1ccccc1\C=C\c1onc(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NC(C)(C)C
64247 CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
64248 CCOc1ccc(cc1)-c1nc(CSCC(=O)NC2CC2)c(C)o1
64249 Cc1c(sc2ncn(CC(=O)N3CCCCC3)c(=O)c12)C(=O)Nc1ccc(F)cc1
64250 CN(CC(=O)ON=C(N)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 |w:6.5|
64251 Brc1ccc(SCC(=O)Nc2ccccc2N2CCOCC2)cc1
64252 Clc1ccccc1CNC(=O)C1CCN(CC1)S(=O)(=O)N1CCCC1
64253 CCOc1ccccc1CNC(=O)CCn1ccc2cc(ccc12)S(=O)(=O)N1CCCCC1
64254 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)c1ccc(cc1NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC |TLB:9:8:7:3.2.4|
64255 CCOC(=O)c1cccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)c1
64256 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)OCC(=O)c2ccc(Br)cc2)C1=O |c:5,TLB:26:7:2:6.5,THB:9:8:2:6.5|
64257 COc1cc(NC(=O)c2cc3ccccc3cc2OC)ccc1NC(=O)c1cccs1
64258 Fc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCC1
64259 CCN1C(=O)[C@H]2[C@H](N3C(=O)N(C(=O)[C@@]3(C)[C@H]2C1=O)c1ccc(C)cc1)c1ccc(C)cc1
64260 COc1cc(ccc1OC1CCN(CC1)C(C)=O)C(=O)N1CCSCC1
64261 CN(C1CCCCC1)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
64262 Cc1cn2c(nc(CSCC(=O)Nc3ccc(C)cc3C)cc2=O)s1
64263 Cc1ccc(C)c(NC(=O)CCc2nnc3ccc(NCc4ccco4)nn23)c1
64264 CCOc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)cc1
64265 Fc1ccc(CNC(=O)CCc2nnc3ccc(nn23)N2CCC3(CC2)OCCO3)cc1
64266 CN(CCc1nc2ccccc2[nH]1)C(=O)c1cc(COc2ccc(C)c(C)c2)on1
64267 COc1cccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)c1O
64268 COc1cccc(CNC(=O)Cn2c3ccccc3n3cccc3c2=O)c1
64269 CCS(=O)(=O)c1nc(c(s1)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1
64270 [O-][N+](=O)c1ccc(F)c(c1)C(=O)Nc1ccc2nc3CCCCCn3c(=O)c2c1
64271 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CCCCC2)cc1
64272 COc1ccccc1C(=O)N\C(=C/c1cn(c2ccccc12)S(=O)(=O)N(C)C)C(=O)NCCN1CCOCC1
64273 CCOc1ccc(NC(=O)C2CCCN(C2)c2nn3c(nc(C)cc3=O)s2)cc1
64274 COC(=O)c1cc(cn1C)S(=O)(=O)NCc1ccc(F)cc1
64275 Cc1cccc(NS(=O)(=O)c2cc3OCC(=O)Nc3cc2C)c1
64276 CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCCCC1C
64277 FC(F)(F)c1ccc(CNS(=O)(=O)c2ccc(cc2)-n2cnnn2)cc1
64278 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)c1cc(cn1C)S(=O)(=O)N1CCCC1
64279 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1cccs1
64280 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1
64281 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cc2OCCN(C(C)=O)c2cc1C
64282 CC(=O)Nc1ccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
64283 COc1ccc(NC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCOCC2)c(OC)c1
64284 Cc1cc(C)c2oc(cc(=O)c2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C)n1
64285 COc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
64286 COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc3N(C(C)Cc3c2)C(C)=O)cc(OC)c1
64287 Cc1ccc2OCCN(C(=O)CCC(=O)N3CCC4(CC3)OCCO4)c2c1
64288 CN1C(=CC(=NS1(=O)=O)c1cccs1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |c:2,4|
64289 CCOc1ccc(CCNC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc1
64290 Clc1ccccc1C(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCCC1
64291 Brc1cccc(c1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCCC1
64292 CCOC(=O)c1cc(cn1C)S(=O)(=O)N1CCc2ccccc12
64293 CSc1cccc(NS(=O)(=O)c2cc(Br)cnc2N)c1
64294 CC1(C)NC(=O)N(CC(O)CN(c2ccccc2)S(=O)(=O)c2ccc(cc2)[N+]([O-])=O)C1=O
64295 null
64296 CCn1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c(C)n1
64297 Clc1ccc2occ(C=NNS(=O)(=O)c3ccccc3)c(=O)c2c1
64298 CCOC(=O)C1C(NC(=O)NC1=CN1CCN(CC1)C(=O)c1ccco1)c1ccc(OC)cc1 |w:12.13|
64299 CCC1Sc2ccc(cc2NC1=O)S(=O)(=O)Nc1ccc(OC)cc1
64300 COc1ccc(NC(=O)CCc2nnc3ccc(nn23)N2CCC(C)CC2)cc1OC
64301 COc1cccc(c1)-c1cccc(NC(=O)C2CCN(Cc3ccon3)CC2)c1
64302 Cc1cc(ccc1NC(=O)CCC(=O)N1CCCCC1)[N+]([O-])=O
64303 Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)c1ccccc1C
64304 Fc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nncs1
64305 Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1
64306 OC(=O)C(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
64307 Cc1cccc(c1)C(=O)NC1CCN(CC1)C(=O)Nc1ccc(F)cc1
64308 COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1ccco1
64309 Cc1cc(NC(=O)CSc2nnc(C)n2C)no1
64310 CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccco2)nc1
64311 Cc1c(C=NNC(=O)COc2ccc(cc2C)C(C)(C)C)c(=O)n(-c2ccccc2)n1C |w:4.4|
64312 NC(=O)c1nsc(C(=O)N(C(C(=O)NC2CCCC2)c2ccco2)c2cccc(F)c2)c1N
64313 Cc1ccc(cc1NC(=O)CSc1nnc([nH]1)-c1cccnc1)[N+]([O-])=O
64314 OC(=O)c1cc(NC(=O)CSc2cnn[nH]2)ccc1O
64315 CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1ccccn1
64316 Clc1ccc(NC(=O)C2CCCN2C(=O)NCc2ccccc2)cc1
64317 Cc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)c(C)c1
64318 CCC(C)C(NC(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NC(C(C)CC)C(=O)N1CCCC1C(N)=O
64319 [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccco1
64320 COc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)S(=O)(=O)c3ccccc3F)cc2c1
64321 [H]C12CC3OC(=O)C(C1C(=O)OCC(=O)Nc1cccc(Cl)c1)C3([H])C2 |TLB:4:3:7.8:25,5:7:25:3.2,THB:9:8:25:3.2|
64322 CC(NC(=O)c1ccc2OCOc2c1)c1ccccc1
64323 COc1ccccc1C(=O)NCC(=O)NN=Cc1ccc2OCOc2c1
64324 CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2OCCOc2c1
64325 Clc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccco1)C(=O)c1csnn1
64326 COc1ccc(cc1OC)N(CC(=O)NCc1ccc(F)cc1)C(=O)Cn1nnc(n1)-c1ccc(C)o1
64327 NCCN1C(=O)S\C(=C/c2ccc3OCOc3c2)C1=O
64328 CCCC[C@@H](CNC)NC[C@H](Cc1ccc(O)cc1)NCCc1ccc(OCC)cc1
64329 CC1CCCC(C)N1C(=O)CSc1ccc(nn1)-c1ccc2OCCOc2c1
64330 Cc1cccc(c1)-c1ocnc1C(=O)N1CCN(CC1)C(=O)c1cccs1
64331 CSc1ccccc1NC(=O)C1=CC(=NS(=O)(=O)N1C)c1ccc(C)cc1 |c:14,t:12|
64332 Cc1c(cnn1C)C(=O)Nc1ccc2OCCOc2c1
64333 O=C(N1CCOCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1)c2=O
64334 COc1ccc(N(C)C(=O)CN(C)S(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c(OC)c1
64335 CN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)COc2ccccc2F)s1
64336 COc1ccc(cc1)-c1noc(n1)N1CCC(CC1)C(=O)NCCCN1CC(C)CC(C)C1
64337 Cc1n(nc2c1c(C)nn(CCCC(=O)N1CCC(CC1)C(N)=O)c2=O)-c1ccc(C)cc1
64338 CC(C)CC1Nc2ccc(cc2NC1=O)C(=O)NCCCN1CCOCC1
64339 COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(s2)-c2ccc(=O)[nH]n2)cc(OC)c1
64340 CC(CCNS(=O)(=O)c1cc(ccc1C)-c1cc(C)no1)N1CCCCCC1
64341 CCC1CCCCN1C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1
64342 COCCCN(Cc1ccco1)C(=O)CSc1nc2ncccc2[nH]1
64343 CCn1c2cc(NC(=O)c3ccc(OC)c(Br)c3)c(cc2n(CC)c1=O)N1CCCC1
64344 COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)cc1
64345 Cc1nn(CC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c(=O)c2cc(nn12)-c1ccccc1
64346 CCc1ccc(OC(C)C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1
64347 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCCC(C)C1
64348 COc1ccc(C)cc1NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C1CC1
64349 OC(=O)c1cc(ccc1Cl)S(=O)(=O)N(Cc1ccccc1)c1ccccc1Cl
64350 Cc1cc(C(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)n(C)n1
64351 Cc1ccc(cc1C)C(=O)N1CCCC(C1)Nc1ccc(F)cc1
64352 Cc1ccc(cc1)S(=O)(=O)N\C(=N\Cc1ccccc1)c1ccc(F)cc1
64353 Clc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)NCC2CCCO2)c1
64354 CC(C)c1nnc(NC(=O)C2CCN(CC2)C(=O)c2ccco2)s1
64355 CN(C)c1ccc(NS(=O)(=O)c2c(C)cc(C)c(c2C)-n2cnnn2)cc1
64356 Cc1cccc(N(C(C(=O)NC2CCCC2)c2cccnc2)C(=O)c2ccco2)c1C
64357 CC(Cn1nc(C)cc1C)NC(=O)c1cc(COc2ccc(F)c(F)c2)on1
64358 CCOc1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CCC(=O)Nc1nc(C)cs1
64359 Cc1ccnc(NC(=O)CS(=O)(=O)c2ccccc2)c1
64360 COc1ccc(CNC(=O)c2nnn(CC(=O)Nc3cc(C)cc(C)c3)c2N)cc1
64361 COc1ccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3N(C)C(=O)C(C)(C)c3c2)cc1
64362 COC(=O)c1cc(c[nH]1)S(=O)(=O)NCCc1ccccc1
64363 Clc1ccccc1-c1noc(CCCC(=O)NC2CCCC2)n1
64364 CCOc1ccc(NC(=O)CCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1
64365 Cc1ccc(cc1)N1C(=O)NC(NS(=O)(=O)c2ccccc2)(C1=O)C(F)(F)F
64366 COc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1CC1CCC(CC1)C(O)=O |(3.08,-2.79,;4.41,-3.56,;4.41,-5.1,;3.08,-5.87,;3.08,-7.41,;4.41,-8.18,;4.41,-9.72,;5.75,-7.41,;5.75,-5.87,;7.08,-5.1,;7.08,-3.56,;5.75,-2.79,;8.41,-2.79,;8.41,-1.25,;9.75,-.48,;11.08,-1.25,;12.42,-.48,;13.87,-.95,;14.77,.29,;13.87,1.53,;12.42,1.06,;11.08,1.83,;11.08,3.37,;9.75,1.06,;8.41,1.83,;8.41,3.37,;7.08,4.14,;7.08,5.68,;8.41,6.45,;9.75,5.68,;9.75,4.14,;8.41,7.99,;7.08,8.76,;9.75,8.76,)|
64367 CCc1nn(CC(=O)N2CCC(CC2)C(N)=O)c(=O)c2cc3occc3n12
64368 COc1cc(OC)c(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
64369 Cc1csc(n1)N1CCCC1c1nc2cc(ccc2n1Cc1ccc(C)cc1)C(F)(F)F
64370 CC1CCCN(C1)C(=O)CSc1nnc(o1)-c1ccc(O)cc1
64371 CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)C1=CSCCO1 |t:22|
64372 Clc1ccccc1CNC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1
64373 CCCCn1cc(c(=O)c2cc(C)ccc12)S(=O)(=O)c1ccccc1
64374 COc1ccc(CN2CCNC(=O)C2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC
64375 COc1ccc(C(=O)C2CCCN(C2)S(=O)(=O)c2ccccc2F)c(C)c1
64376 COc1ccccc1CN1CC(CCC1=O)C(=O)NCCN1CCNC1=O
64377 Cc1c(oc2ccc(C)cc12)C(=O)N1CCC(CC1)(N1CCCCC1)C(N)=O
64378 Fc1ccc(cc1)-c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cscn2)c1
64379 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
64380 CC(C)C[C@@H](CC#N)N1CCN(Cc2ccccc2)CCC1=O
64381 CCC1COCCS(=O)(=O)N1Cc1ccccc1C
64382 CC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
64383 Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1
64384 OC(=O)c1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1
64385 Cc1ccc(cc1)C(=O)N\C(=C\c1ccco1)C(=O)Nc1cccc(c1)C(O)=O
64386 Fc1ccccc1CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
64387 CC(NC(=O)C(C)Oc1ccc(Cl)cc1C)C1CCCO1
64388 Cc1cc(C)n(n1)-c1ccc(NC(=O)C2CCCCN2C(=O)c2ccoc2C)cc1
64389 OC(=O)COc1ccccc1C=NNC(=O)c1ccc2OCCOc2c1
64390 CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)NN=Cc1ccc[nH]1 |w:17.18|
64391 CC(C)(C)OC(=O)N1CCC(CC=C)(CC1)C(=O)NCCO
64392 COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C
64393 COc1ccc(cc1OC1CCN(C\C=C\c2ccccc2OC)CC1)C(=O)NC1CC1
64394 O=C(NCC1CCCN(C1)C1Cc2ccccc2C1)c1cccs1
64395 COC(=O)c1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
64396 COc1cccc(c1)C(=O)Nc1ccc(NC(=O)C2CC=CCC2C(O)=O)cc1 |c:21|
64397 CC(C)(C)c1ccc(cc1)C(=O)NC(=S)N1CCCC1
64398 Cc1cccc2c(cc(nc12)-c1cccc(Br)c1)C(=O)N1CCN(CC1)c1ccccn1
64399 Cc1ccccc1OCC(=O)Nc1ccc2C(=O)N(CCC(O)=O)C(=O)c2c1
64400 COc1ccc(cc1Cl)S(=O)(=O)Nc1ccccc1C(=O)N1CCOCC1
64401 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1cccs1
64402 COCC1CCCCN1C(=O)c1cc(COc2ccc3ncccc3c2)on1
64403 COc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)s1
64404 COc1ccc(CN2C3CS(=O)(=O)CC3SC2=NC(=O)CCC2CCCC2)cc1 |w:17.19|
64405 COc1ccc(cc1)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)C
64406 Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCC2(CC1)OCCO2
64407 OC(=O)c1ccc(C=NNC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1
64408 CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NC1CC1
64409 Fc1ccc(\C=C2/SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1
64410 Oc1cccnc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
64411 CCc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1 |wU:17.16,(3.08,-9.65,;4.41,-8.88,;4.41,-7.34,;3.08,-6.57,;3.08,-5.03,;4.41,-4.26,;4.41,-2.72,;5.75,-1.95,;7.08,-2.72,;5.75,-.41,;4.41,.36,;4.41,1.9,;5.75,2.67,;5.75,4.21,;7.08,4.98,;7.08,6.52,;5.75,7.29,;8.41,7.29,;9.75,6.52,;11.08,7.29,;12.46,6.47,;13.85,7.26,;13.85,8.86,;12.46,9.65,;11.08,8.83,;9.75,9.6,;8.41,8.83,;7.08,1.9,;7.08,.36,;5.75,-5.03,;5.75,-6.57,)|
64412 CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)S\C(=C/c2ccccc2)C1=O
64413 C[C@@H](C(=O)Nc1ccc2OCCOc2c1)n1c(=O)[nH]c2ccccc2c1=O
64414 COc1ccc(CNC(=O)CCCCCNC(=O)N2CCn3c2nc2ccccc32)cc1
64415 Cc1cc(OCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c2c(C)cc(=O)oc2c1
64416 CC(Oc1ccc2c(C)cc(=O)oc2c1C)C(=O)NCCCN1CCOCC1
64417 Cc1ccc(NC(=S)Nc2cccc3ccccc23)cc1
64418 Cc1cc(C)c(NC(=O)Nc2ccc3OCOc3c2)c(C)c1
64419 CCC(NC(=S)NC1CCCCC1)c1ccccc1
64420 COc1ccc(cc1)-c1oc2ccccc2c1C(=O)Oc1ccccc1
64421 COc1ccc(C(C)=NNC(=O)CNC(=O)C=Cc2ccccc2)c(OC)c1 |w:8.8,17.17|
64422 Cc1cc(Br)c2[nH]cc(CCNC(=O)c3ccco3)c2c1
64423 CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC(=O)Nc1ccc2OCCOc2c1
64424 Clc1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)-n1cnnn1
64425 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)cc1)C1CCCCC1
64426 NC(=O)C1CCCN(C1)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1
64427 CC(C)n1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1
64428 Cc1cc(ccc1OCC(=O)NCc1ccccc1)S(=O)(=O)N1CCCC1
64429 CSc1ncccc1C(=O)N1CCCC(C1)N1CCN(CC1)c1ccccc1F
64430 CN(C)C(=O)c1sc(NC(=O)CSc2nnc(C)n2CC=C)nc1C
64431 C=CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1cccnc1
64432 COc1ccc(cc1OC)C(C)NC(=S)NC1CCCCC1
64433 Cc1nn(C)c(Cl)c1CN1CCC(CC1)n1nccc1NC(=O)C1CCCC1
64434 OCC[C@@H]1C[C@@H](O)[C@H](O)[C@@]2(Cc3ccccc3CO2)O1
64435 Fc1ccc(cc1)C(=O)N1CCCC(C1)N1CCN(Cc2ccc3OCOc3c2)CC1
64436 CCn1ccnc1CN(C)C(=O)c1cc(COc2ccc(Cl)cc2OC)on1
64437 CCOC(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1
64438 Cc1c(OCC(=O)Nc2ccccn2)ccc2c(C)c(C)c(=O)oc12
64439 Cc1cc(C)c(c(C)c1)S(=O)(=O)NN=Cc1ccc2OCOc2c1
64440 Cc1ccc2nc(cc(C(=O)NCC3CCCO3)c2c1)-c1cccc(Br)c1
64441 CC1CN(CC(C)O1)C(=O)c1cc(ccc1Cl)S(=O)(=O)N(C)c1ccc(F)cc1
64442 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)N(CC)CC(=O)Nc1ccc(NC(C)=O)cc1 |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
64443 CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCn3ccnc3)c12
64444 CCOc1ccc(CC(=O)N2CCC3(CC2)NCCc2nc[nH]c32)cc1
64445 COc1ccc(NC(=O)CN(C)C(=O)c2cccc(c2)S(=O)(=O)NCc2ccccc2)cc1
64446 Cc1cc(ccc1F)S(=O)(=O)Nc1ccc(cc1)C(=O)NCC(C)(C)N1CCOCC1
64447 Cc1c(Cl)cccc1NC(=O)Nc1cnccn1
64448 COc1ccc(NS(=O)(=O)NC(=O)c2cn(C)c3ccccc23)cc1
64449 CC(C)c1cc(Cl)c(C)cc1OCC(=O)Nc1sc2c(CC(C)(C)NC2(C)C)c1C#N
64450 COc1cc2cc([nH]c2cc1OC)C(=O)Nc1ccc2OCCOc2c1
64451 CCCSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C
64452 CCN(CC)CCOC(=O)c1ccc(N)cc1
64453 C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)Nc1ccc(C)cc1
64454 COc1cccc(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
64455 CCOC(=O)N1N(C(=O)OCC)[C@@](CC)(C1=O)c1ccccc1
64456 COc1ccc(cc1OC)S(=O)(=O)NCC(N1CCN(C)CC1)c1cccnc1
64457 Cc1ccc(C)c(NC(=O)COc2coc(CN3CCc4ccccc4C3)cc2=O)c1
64458 CCN1CCc2c(C1)sc(NC(=O)c1cc3ccccc3cc1OC)c2C(N)=O
64459 Cc1nc(SCC(=O)NCC2CCCO2)[nH]c(=O)c1C
64460 COc1ccccc1-n1ccnc(SCC(=O)NCc2ccccc2)c1=O
64461 COc1cccc(c1)-n1c(SCC(=O)NCC2CCCO2)nc2CCSc2c1=O
64462 Fc1cccc(NC(=O)CSc2nccn2Cc2ccco2)c1
64463 Fc1ccc(cc1)S(=O)(=O)N1CCCCC1CCNC(=O)C(=O)Nc1ccccc1F
64464 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCCN2CCOCC2)s1
64465 COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
64466 COc1ccc(C)cc1S(=O)(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
64467 [O-][N+](=O)c1ccccc1Nc1cccnc1
64468 Cc1ccc(OCC(=O)NC(=S)Nc2ccccn2)c(Br)c1
64469 O=C1C(Cc2ccccc2)Nc2ncnc(N3CCN(CC3)c3ccccc3)c2N1Cc1ccccc1
64470 CCc1ccc(NC(=O)CSc2ccc(nn2)-c2cccnc2)cc1
64471 CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1
64472 Cc1cc(NC(=O)COc2coc(CN3CCN(CC3)c3ccccc3F)cc2=O)no1
64473 COc1ccc(Cl)cc1C(=O)NCC(=O)OCc1ccccc1
64474 COc1cccc(COC(=O)c2ccc3SC(C)C(=O)Nc3c2)c1OC
64475 CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCC3)c(c2)[N+]([O-])=O)cc1OCC
64476 CCCNC(=O)c1ccc(N2CCC3(CC(=NO3)c3cccc(Br)c3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 |c:15|
64477 CCOC(=O)c1c(C)c(sc1NC(=O)COC(=O)c1nccnc1N)C(=O)N(C)C
64478 CCOc1ccc(cc1)C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12
64479 COc1ccc(CN(C)C(=O)c2cc(ccc2N2CCCC2)S(=O)(=O)N2CCOCC2)cc1
64480 Clc1cccc(Cl)c1OCC(=O)N1CC(=O)Nc2ccccc12
64481 COc1cccc(CNC(=O)c2ccccc2SCC(=O)N2CCCC2)c1
64482 [O-][N+](=O)c1cc(ccc1-n1cncn1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1F
64483 O=C(CNC(=O)c1ccco1)Nc1ccc2OCCOc2c1
64484 CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C
64485 CC(C)CN(C(=O)CCCSc1nc2ccccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
64486 Cc1ccc(OCCC(=O)OCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
64487 COc1ccc(cc1)C1=NCCn2nc3cc(ccc3c12)[N+]([O-])=O |t:9|
64488 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCC(=O)NCc1ccccc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
64489 CCCCN(C(=O)c1ccc(s1)[N+]([O-])=O)c1c(N)n(CCCC)c(=O)[nH]c1=O
64490 C=CCOc1ccc(\C=C\C(=O)OCC(=O)NCC2CCCCC2)cc1
64491 Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1N1CCCCC1
64492 CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c(=O)[nH]c1=O
64493 Cc1ccc(cc1)C1=NCCn2c1c1ccc(cc1[n+]2[O-])C(F)(F)F |t:8|
64494 COc1ccccc1C(=O)NCCC(=O)NNC(=O)Cn1ccc(n1)C(F)(F)F
64495 CC(OC(=O)CN1C(=O)c2ccccc2C1=O)C(=O)NC1CCCCC1C
64496 CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccn1C
64497 COc1ccc2oc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)c(C)c2c1
64498 Clc1ccccc1-c1nnc(CN(C2CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)o1
64499 Cc1ccc(CN2CC(CC2=O)C(=O)Nc2ccc(C)cn2)cc1
64500 CN(C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
64501 COCCN(C(=O)COC(=O)C=Cc1ccc(cc1)C(F)(F)F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |w:11.10|
64502 FC(F)(F)c1ccc(\C=C\C(=O)OCC(=O)NC2CC2)cc1
64503 Fc1ccc(OCC(=O)Nc2nc(cs2)-c2ccccn2)c(Cl)c1
64504 COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
64505 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12
64506 CN(CC(=O)Nc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1
64507 Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3nc(cs3)-c3cccs3)c2c1C
64508 CCOc1cc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N(C)C
64509 COc1ccccc1CCC(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
64510 Cc1ccccc1OCCC(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
64511 Cc1ccc(NC(=O)CCN2C(=O)C3CCCCC3C2=O)cc1[N+]([O-])=O
64512 COc1ccc(cc1)N1CCN(CC1)C(=O)COC(=O)CCOc1ccccc1C
64513 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)NCCC1=CCCCC1 |t:23|
64514 CCc1cc(sc1C)C(=O)NCC(C)(C)N1CCOCC1
64515 Oc1ccc(Cl)cc1C(=O)OCC(=O)NNC(=O)c1ccc(cc1)[N+]([O-])=O
64516 COc1ccc(OC)c(c1)N=C1SCCCN1C(=O)c1ccc(cc1)-n1c(O)ccc1O |w:10.10|
64517 FC(F)Oc1ccc(NC(=O)CN2C(=O)NC(Cc3ccccc3)C2=O)cc1
64518 CCc1cccc(NC(=O)COC(=O)\C=C\c2cccs2)c1
64519 CN(C(=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1
64520 Clc1ccccc1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
64521 Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
64522 CCn1c(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)nc2sc(C)c(C)c2c1=O
64523 FC(F)(F)c1cccc(Cl)c1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
64524 CC(OC(=O)CN1C(=O)NC2(CCCC2)C1=O)C(=O)c1ccccc1
64525 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)OCC(=O)N(C)CC(=O)Nc1ccc(F)cc1
64526 Cc1noc(C)c1CSCC(=O)Nc1ccc(cc1)S(=O)(=O)C(F)F
64527 Oc1ccccc1N1CCN(CC1)C(=O)CNC(=O)c1ccc(Br)o1
64528 Clc1ccc(NC(=O)COC(=O)c2cnccn2)nc1
64529 CS(=O)(=O)c1ccc(NC(=O)c2ccc3N4CCCCC=C4NS(=O)(=O)c3c2)cc1 |c:20|
64530 Fc1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1
64531 CN(Cc1nc(no1)-c1ccccc1)C(=O)c1ccc2OCOc2c1
64532 CC(CCc1ccccc1)NC(=O)CCNS(=O)(=O)c1ccccc1
64533 O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NC1CCS(=O)(=O)C1
64534 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCC(=O)Nc1cccc(c1)S(=O)(=O)N(CC)CC |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
64535 Fc1ccc(cc1)C(=O)COC(=O)c1ccccc1-n1cnnn1
64536 COc1ccc2c(COC(=O)CCS(=O)(=O)c3ccc(C)cc3)cc(=O)oc2c1
64537 CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1
64538 CCc1nnc(NC(=O)CN2CCN(CC2)c2nc(cs2)-c2ccccc2)s1
64539 COc1cccc(c1O)-c1nc(NC(C)C)c2ccccc2n1
64540 C(\C=C\c1ccccc1)N1CCN(CC1)c1ncnc2c3ccccc3oc12
64541 CN(C)CCNc1c(CC=C)c(C)c(C#N)c2nc3ccccc3n12
64542 CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12
64543 Oc1ccc(C(=O)Cc2nc3ccccc3s2)c(O)c1
64544 Oc1c(ccc2cccnc12)C(Nc1nc2ccccc2s1)c1ccco1
64545 Cc1nn(c(C)c1C(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1)-c1ccccc1
64546 CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)n[nH]c1=O
64547 O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc21
64548 Cc1cc(no1)C(=O)Nc1sc2CCCCc2c1C#N
64549 COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1
64550 CCCCCNC(=O)NCCCC\C=C/CCCCCCC(=O)N[C@H](CC([O-])=O)C([O-])=O |r|
64551 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)NC(=O)C1(C)C |c:21|
64552 COc1ccc(cc1)-c1nnc(NC(=O)c2cc(Cl)ccc2Cl)o1
64553 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(Br)c1)N1C(=O)NC(=O)C1(C)C |c:21|
64554 COc1cc2CCCCc2cc1NC(=O)c1ccco1
64555 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(F)c(c1)C(F)(F)F)N1C(=O)NC(=O)C1(C)C |c:21|
64556 O=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1
64557 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)c(F)c1)N1C(=O)NC(=O)C1(C)C |c:21|
64558 Clc1cc(Cl)c2cccnc2c1OC(=O)c1cccs1
64559 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc2OC(F)(F)Oc2c1)N1C(=O)NC(=O)C1(C)C |c:21|
64560 Clc1cc(Cl)c2cccnc2c1OC(=O)c1ccco1
64561 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(c1)C(F)(F)F)N1C(=O)NC(=O)C1(C)C |c:21|
64562 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C1(C)C |c:21|
64563 Cc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
64564 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CCCC1 |c:21|
64565 CN1CCC2(CC1)N(C(=O)NC2=O)c1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(NC3=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 |c:32|
64566 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11COC1 |c:21|
64567 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(OC(F)(F)F)cc1)N1C(=O)NC(=O)C11CC1 |c:21|
64568 Cn1cc(C(c2cn(C)c3ccccc23)c2ccccn2)c2ccccc12
64569 Cc1cc(ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O |c:20|
64570 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1cccc(OC(F)(F)F)c1)N1C(=O)CNC1=O |c:21|
64571 Cc1cccc(c1)C(=O)CC(=O)c1cc(Cl)ccc1O
64572 Cc1nn(-c2ccc(C)cc2)c2[nH]c(=O)cc(C)c12
64573 O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)c1ccccc1
64574 Clc1ccc(C(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)c(Cl)c1
64575 Cc1cc(cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(NC2=O)c1ccc(F)c(c1)C(F)(F)F)N1C(=O)CNC1=O |c:21|
64576 CCc1ccc2NC(=O)\C(=C/C(=O)c3cccs3)c2c1
64577 CC[C@H]1CCC(CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2ccc(cc2C)N2CC(=O)NC2=O)C(=O)N1 |r,wU:2.1,t:9,(-6.39,-5.49,;-4.98,-6.11,;-3.74,-5.21,;-3.9,-3.68,;-2.65,-2.77,;-1.25,-3.4,;-1.08,-4.93,;-2.33,-5.83,;,-2.49,;1.46,-2.97,;2.37,-1.72,;3.14,-3.06,;4.68,-3.06,;5.45,-1.72,;4.68,-.39,;3.14,-.39,;6.99,-1.72,;6.99,-.18,;6.99,-3.26,;8.53,-1.72,;9.3,-3.06,;10.84,-3.06,;11.61,-4.39,;13.15,-4.39,;13.92,-3.06,;13.15,-1.72,;11.61,-1.72,;10.84,-.39,;15.46,-3.06,;16.37,-4.3,;17.83,-3.83,;19.08,-4.73,;17.83,-2.29,;16.37,-1.81,;15.89,-.34,;1.46,-.48,;2.09,.93,;,-.95,)|
64578 CC[C@H]1CCC(CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2ccc(cc2C)N2C(C)C(=O)NC2=O)C(=O)N1 |r,wU:2.1,t:9,(-6.39,4.53,;-4.98,5.16,;-3.74,4.26,;-2.33,4.88,;-1.08,3.98,;-1.25,2.45,;-2.65,1.82,;-3.9,2.72,;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;6.99,-.77,;6.99,2.31,;8.53,.77,;9.3,2.1,;10.84,2.1,;11.61,3.44,;13.15,3.44,;13.92,2.1,;13.15,.77,;11.61,.77,;10.84,-.56,;15.46,2.1,;16.37,3.35,;15.89,4.81,;17.83,2.87,;19.08,3.78,;17.83,1.33,;16.37,.86,;15.89,-.61,;1.46,-.48,;1.94,-1.94,;)|
64579 CC[C@H]1CCC(CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2ccc(cc2C)N2C(=O)NC(=O)C2(C)C)C(=O)N1 |r,wU:2.1,t:9,(-6.39,4.53,;-4.98,5.16,;-3.74,4.26,;-2.33,4.88,;-1.08,3.98,;-1.25,2.45,;-2.65,1.82,;-3.9,2.72,;,1.54,;1.46,2.02,;2.37,.77,;3.14,2.1,;4.68,2.1,;5.45,.77,;4.68,-.56,;3.14,-.56,;6.99,.77,;6.99,-.77,;6.99,2.31,;8.53,.77,;9.3,2.1,;10.84,2.1,;11.61,3.44,;13.15,3.44,;13.92,2.1,;13.15,.77,;11.61,.77,;10.84,-.56,;15.46,2.1,;16.37,3.35,;15.89,4.81,;17.83,2.87,;17.83,1.33,;19.08,.43,;16.37,.86,;16.67,-.65,;15.23,-.18,;1.46,-.48,;1.94,-1.94,;)|
64580 CCC(C)n1cnc2n(Cc3ccc(OC)cc3)c3nc4ccccc4nc3c2c1=O
64581 C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)Oc1ncccc1C |r|
64582 C[C@@H]1CC[C@H](CN1C(=O)c1cc(C)ccc1-n1nccn1)Oc1cccc(C)n1 |r|
64583 C[C@@H](CCc1ccc(Oc2ccc(OCc3ccccc3)cn2)cc1)NC(C)=O |r|
64584 Oc1cc(O)cc(CCc2ccccc2O)c1
64585 Cc1cccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)c1
64586 Oc1ccc2ccccc2c1CN=Nc1nc2ccccc2c(=O)n1O |w:13.15|
64587 CC(C)OC(=O)C(C)NP(=O)(OCC1OC(n2ccc(=O)[nH]c2=O)C(C)(F)C1O)Oc1ccccc1
64588 O=C1NCC(C2CCCCC2)N1c1ccc2nc[nH]c2c1
64589 CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1cc(C)ccc1C
64590 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccccc1
64591 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(C)=O
64592 COc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64594 COc1ccc(cc1)[C@H]1[C@@H](C)NC(=O)N1c1ccc2nc[nH]c2c1 |r|
64595 Clc1ccc(cc1)C(=O)c1c(NC(=O)c2cccnc2)sc2CCCCc12
64596 Clc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1 |c:6,15,t:4|
64597 Cc1c(Cl)c(nn1Cc1ccc(o1)C(=O)N\[NH+]=C\c1cc(Cl)ccc1[O-])[N+]([O-])=O
64598 On1c(nc2ccc(Br)cc2c1=O)-c1cccc(c1)C(F)(F)F
64599 COc1cccc(c1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64600 CCOC(=O)c1c(cn2ccccc12)-c1ccccc1Cl
64601 COc1ccccc1C1CNC(=O)N1c1ccc2nc[nH]c2c1
64602 CCOc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64603 Cc1ccc(c(n1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](COc1ccccn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
64604 CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)c(Cl)c1
64605 Cc1ccc(c(n1)C(=O)N1[C@H]2CC[C@@H]1[C@H](COc1ccccn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
64606 CCCCOc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64607 CCCCCOc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64608 Clc1ccc(CC(=N)NOC(=O)c2cccs2)cc1Cl
64609 CC(C)Oc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64610 COc1cc(cc2OCOc12)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64611 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccc2OCCOc2c1
64612 FC(F)C(F)(F)Oc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64613 FC1(F)Oc2ccc(cc2O1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64614 COc1ccc(cc1F)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64615 COc1cc(F)c(C2CNC(=O)N2c2ccc3nc[nH]c3c2)c(F)c1
64617 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccc(OCCN2CCOCC2)cc1
64618 COc1cccc(C=NNC(=O)C(=O)Nc2ccccc2OC(F)(F)C(F)F)c1O |w:8.8|
64619 Cc1cc(C(=O)N\[NH+]=C\[c-]2cc(Cl)cc([N+]([O-])=O)c2=O)c2ccccc2n1
64620 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccc(OCCCN2CCOCC2)cc1
64621 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccccc1OCCN1CCOCC1
64622 Fc1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64623 COc1ccc(cc1)-n1cc(-c2ccc(C)cc2)[n+]2CCSc12
64624 Fc1ccccc1C1CNC(=O)N1c1ccc2nc[nH]c2c1
64625 CCc1ccccc1NC(=S)NN=C1C(=O)N(C)c2ccc(cc12)S(=O)(=O)N1CCOCC1 |w:12.12|
64626 [O-][N+](=O)c1ccc2nc(NC(NC(=O)c3ccccc3Cl)(C(F)(F)F)C(F)(F)F)sc2c1
64627 CC1CCN(CC1)c1nc(Nc2ccc(C)c(C)c2)nc(N)c1[N+]([O-])=O
64628 Fc1cccc(c1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64629 Fc1cccc(F)c1C1CNC(=O)N1c1ccc2nc[nH]c2c1
64630 Fc1ccc(cc1C1CNC(=O)N1c1ccc2nc[nH]c2c1)C(F)(F)F
64631 Fc1cc(cc(c1)C(F)(F)F)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64632 Fc1cc(ccc1C1CNC(=O)N1c1ccc2nc[nH]c2c1)C(F)(F)F
64633 Fc1cc(ccc1C(F)(F)F)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64634 Cc1cccc2sc(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)nc12
64635 Clc1ccccc1C1CNC(=O)N1c1ccc2nc[nH]c2c1
64636 COc1ccc(cc1)-n1c2n[nH]c(=S)n2c2sc3CCCCc3c2c1=O
64637 Clc1cccc(c1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64638 Clc1cccc(Cl)c1C1CNC(=O)N1c1ccc2nc[nH]c2c1
64639 Cc1nn(c(Cl)c1\C=C\C(=O)c1ccc(O)cc1)-c1ccccc1
64640 Clc1cccc(C2CNC(=O)N2c2ccc3nc[nH]c3c2)c1Cl
64641 Cc1cc(C)c(cc1C)-c1cc(NC(=O)COC(=O)c2ccc(cc2)C#N)n(n1)-c1ccccc1
64642 Clc1ccc(cc1Cl)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64643 Clc1ccc(cc1Cl)[C@H]1CNC(=O)N1c1ccc2nc[nH]c2c1 |r|
64644 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccc(cc1)-c1ccccc1
64645 CCOC(=O)N1C(=S)N(c2ccccc2Cl)C2(CCCCC2)C1=O
64646 Cc1ccc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
64647 CCC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccnc2)c1
64648 Oc1c(cc(Cl)c2cccnc12)[N+]([O-])=O
64649 Fc1cc(ccc1-c1ccccc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64650 Clc1cccc(c1)-c1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64651 CCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
64652 Clc1ccc(cc1Cl)-c1ccc(cc1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64653 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1cccc(c1)-c1ccccc1
64654 Clc1cccc(c1)-c1cccc(c1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64655 Clc1ccc(NC(=S)NNC(=O)c2ccccn2)cc1Cl
64656 CC(C)C1CCC(C)CC1OC(=O)Cn1c(-c2ccc(Br)cc2)[n+](C)c2ccccc12
64657 CCOC(=O)Cc1csc(NC(=O)CSc2nnc(o2)-c2ccncc2)n1
64658 Clc1cc(ccc1N1CCOCC1)C1CNC(=O)N1c1ccc2nc[nH]c2c1
64659 CC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
64660 CC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
64661 COc1ccc(Cl)cc1C(Nc1cccnc1)c1ccc2cccnc2c1O
64662 CC(C)COCc1ccc(O)c2ncccc12
64663 Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1cn2ccccc2n1
64664 O=C1NCC(N1c1ccc2nc[nH]c2c1)c1ccc(cc1)N1CCN(CC1)c1ccccc1
64665 CCC(=O)NC(c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O
64666 CCCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
64667 CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
64668 CC(C)CC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
64669 CCCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
64670 CC(CC(=O)Nc1ncc(s1)[N+]([O-])=O)c1ccccc1
64671 O=C1NCC(N1c1ccc2nccn2c1)c1ccccc1
64672 CCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
64673 CCCOc1ccc(cc1)C1CNC(=O)N1c1ccc2nccn2c1
64674 CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
64675 C[n+]1c2SCC(=Nn2c2ccccc12)c1ccc(cc1)-c1ccccc1 |c:5|
64676 Cc1ccc(c(n1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
64677 COc1cc(F)c(C2CNC(=O)N2c2ccn3ccnc3c2)c(F)c1
64678 COc1cc(cc2OCOc12)C1CNC(=O)N1c1ccn2ccnc2c1
64679 O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(OCCN2CCOCC2)cc1
64680 [#6]-[#6]-[n+]1c(\[#6]=[#6]-2\[#6]=[#6](-[#6])-[#8]-[#6](-[#6])=[#6]-2)sc2ccccc12 |c:11,t:6|
64681 Fc1cccc(F)c1C1CNC(=O)N1c1ccn2ccnc2c1
64682 Cc1ccc(c(c1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
64683 Fc1cc(ccc1-c1ccccc1)C1CNC(=O)N1c1ccn2ccnc2c1
64684 O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(cc1)N1CCN(CC1)c1ccccc1
64685 COc1ccc(cc1)C1CN(N)C(=O)N1c1ccc2[nH]cnc2c1
64686 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccccc1 |r|
64687 CC(C)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64688 FC(F)(F)c1nc([nH]c(=O)c1Br)-c1ccccn1
64689 O=C1O[C@@H]([C@@H](N1c1ccc2[nH]cnc2c1)c1ccccc1)c1ccccc1 |r|
64690 CCc1nnc(NC(=O)CSc2nc(SC)ns2)s1
64691 Oc1ccc(C=NNC(=O)c2cccc(Br)c2)c2cccnc12 |w:6.6|
64692 C[C@@H]1OC(=O)N([C@H]1c1ccccc1)c1ccc2[nH]cnc2c1 |r|
64693 CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc2[nH]cnc2c1 |r|
64694 Cc1ccc(c(c1)C(=O)N1[C@H]2CC[C@@H]1[C@@H](COc1ccc(F)cn1)C2)-n1nccn1 |r,TLB:15:14:12.11:9|
64695 On1c(nc2ccc(Br)cc2c1=O)-c1ccc(cc1)[N+]([O-])=O
64696 O=C1OC[C@@H](N1c1ccc2nc[nH]c2c1)c1ccc2OCCOc2c1 |r|
64697 O=C1OC[C@@H](N1c1ccc2nc[nH]c2c1)c1ccc2OCOc2c1 |r|
64698 CCCOc1ccc(cc1)[C@H]1OC(=O)N([C@H]1c1ccc(OCCC)cc1)c1ccc2[nH]cnc2c1 |r|
64699 CCCOc1ccc(cc1)[C@@H]1OC(=O)N([C@H]1c1ccc(OCCC)cc1)c1ccc2[nH]cnc2c1 |r|
64700 CCCOc1ccc(cc1)C1C(OC(=O)N1c1ccc2[nH]cnc2c1)c1ccccc1
64701 CCCOc1ccc(cc1)[C@H]1[C@@H](OC(=O)N1c1ccc2[nH]cnc2c1)c1ccccc1 |r|
64702 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(OCCN2CCNCC2)cc1 |r|
64703 Oc1c(ccc2cccnc12)C(N1CCCC1)c1ccccc1Cl
64704 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(OCCN2CCOCC2)cc1 |r|
64705 Oc1cccc(c1)C(Nc1nccs1)c1ccc2cccnc2c1O
64706 CC(=O)NC1CCCN(O)C(=O)C=C(C)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCOC(=O)C(CCCN(O)C(=O)C=C(C)CCOC1=O)NC(C)=O)NC(C)=O
64707 Fc1cccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c1F |r|
64708 CN(C)c1ccc(\C=C\C=C\c2sc3ccccc3[n+]2C)cc1
64709 CC[n+]1c(\C=C\C=C\c2ccc(cc2)N(C)C)sc2ccccc12
64710 Fc1cccc(c1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64711 Fc1cc(cc(c1)C(F)(F)F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64712 Clc1cccc(c1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64713 Clc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64714 Clc1cccc(c1)-c1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64715 Clc1cccc(c1)-c1cccc(c1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64716 Cn1cc(c(n1)C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2)-c1ccccc1 |r,TLB:14:13:11.10:8|
64717 CN1CCN(CC1)c1ccc(cc1)[C@H]1COC(=O)N1c1ccc2nc[nH]c2c1 |r|
64718 COc1ccc(CCNc2ncnc3sc(C)cc23)cc1OC
64719 O=C1OC[C@@H](N1c1ccc2nc[nH]c2c1)c1cccc(c1)N1CCN(CC1)c1ccccc1 |r|
64720 Cc1cc(O)ccc1NC(=S)NC(=O)c1cncc(Br)c1
64721 Cc1nc2ccc(cc2[nH]1)N1[C@H](COC1=O)c1ccccc1 |r|
64722 CC(C)n1cc(\C=C\c2cc[n+](C)cc2)c2ccccc12
64723 CC(Nc1ncnc2ccccc12)c1ccccc1
64724 O=C1OC[C@@H](N1c1ccn2cc[nH]c2c1)c1ccccc1 |r|
64725 CCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
64726 CCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
64727 CCCC(=O)NC(c1ccc(cc1)N(C)C)c1ccc2cccnc2c1O
64728 CCCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
64729 CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
64730 CCCCC(=O)NC(c1ccc(cc1)N(C)C)c1ccc2cccnc2c1O
64731 CCCCC(=O)NC(c1ccc(cc1)N(CC)CC)c1ccc2cccnc2c1O
64732 CCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O
64733 O=C1O[C@@H]([C@@H](N1c1ccn2cc[nH]c2c1)c1ccccc1)c1ccccc1 |r|
64734 [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1
64735 CCCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccn2cc[nH]c2c1 |r|
64736 Clc1ccc(cc1)[C@H]1COC(=O)N1c1ccn2cc[nH]c2c1 |r|
64737 COc1ccc(cc1)C1CCCN1c1ccc2nc[nH]c2c1
64738 O=C1CSC(N1c1ccc2nc[nH]c2c1)c1ccsc1
64739 S=C1CSC(N1c1ccc2[nH]cnc2c1)c1ccccc1
64740 Cc1ccc2ccc3ccc(C)nc3c2n1
64741 COc1ccc(cc1)C1CCC(=O)N1c1ccc2[nH]cnc2c1
64742 CCCOc1ccc(cc1)C1CCC(=O)N1c1ccc2[nH]cnc2c1
64743 O=C1CCC(N1c1ccc2[nH]cnc2c1)c1ccc2OCCOc2c1
64744 O=C1C2C=CC=CC2C(N1c1ccc2[nH]cnc2c1)c1ccccc1 |c:3,5|
64745 O=C1C2C=CC=CC2C(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)-c1ccccc1 |c:3,5|
64746 Cc1cc2ccccn2c1C(C[N+]([O-])=O)c1c(F)cccc1Cl
64747 Fc1ccc(cc1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:10,12|
64748 CN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1ccc2cccnc2c1O
64749 Fc1cccc(c1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
64750 Fc1cccc(c1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:10,12|
64751 Fc1cc(F)cc(c1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:11,13|
64752 Cc1ccc(cc1)-c1nc2c(Cl)cc(Cl)cc2c(=O)n1O
64753 CCOc1ccc(nn1)-c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
64754 COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)N2CCN(CC2)c2ccccc2)c2ccccc2c1=O
64755 Clc1ccc(cc1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:10,12|
64756 Clc1ccc(cc1Cl)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:11,13|
64757 Fc1cc(Cl)cc(c1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:11,13|
64758 COc1ccc(cc1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:11,13|
64759 Cc1ccc(o1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1c1nc2ccc(C)cc2s1
64760 CCCOc1ccc(cc1)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:13,15|
64761 COc1ccc(cc1F)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:12,14|
64762 Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)C2CC2)c1
64763 COc1ccc(cc1OC)C1C2C=CC=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:13,15|
64764 O=C1C2C=CC=CC2C(N1c1ccc2[nH]cnc2c1)c1ccc2OCOc2c1 |c:3,5|
64765 O=C1C2C=CC=CC2C(N1c1ccc2[nH]cnc2c1)c1ccc(Oc2ccccc2)cc1 |c:3,5|
64766 Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1
64767 COc1ccc(cc1)C1C2C(C(=O)N1c1ccc3[nH]cnc3c1)C(Cl)=CC=C2Cl |c:28,30|
64768 Cc1oc2c(F)c(F)c(F)c(F)c2c1S(=O)(=O)Nc1cccc(c1)C(F)(F)F
64769 CC(=O)c1sc(NC(=O)CCS(=O)(=O)c2ccccc2)nc1C
64770 COc1ccc(cc1)C1C2C=C(Cl)C(Cl)=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:15,t:11|
64771 CCCOc1ccc(cc1)C1C2C=C(Cl)C(Cl)=CC2C(=O)N1c1ccc2[nH]cnc2c1 |c:17,t:13|
64772 Cn1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](COc2ccccn2)C3)c(n1)-c1ccccc1 |r,TLB:12:11:9.8:6|
64773 NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,10.11,23.23|
64774 [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1nnc(C)s1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
64775 CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(N)scc12
64776 COCCNC(=O)c1c(N)n(CCC(C)C)c2nc3ccccc3nc12
64777 CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N
64778 CCCN(CC1CC1)c1nc(N)c2c(N)nc(OC)cc2c1C#N
64779 [O-][N+](=O)c1ccc(=O)[c-](c1)-c1[nH]nn[nH+]1
64780 Cc1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
64781 Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:7.7|
64782 Oc1ccccc1CN=Nc1cc(nc(n1)N1CCCC1)N1CCCC1 |w:9.10|
64783 CCOc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
64784 Oc1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(O)c1 |w:7.7|
64785 Oc1cccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)c1 |w:8.8|
64786 COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
64787 CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
64788 Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)[N+]([O-])=O
64789 OC(=O)c1[nH]nnc1-c1ccccc1
64790 CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
64791 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(C=C2C1=O)C1CCCC1 |c:22,t:13,15|
64792 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCCO)C=C2C1=O |c:27,t:13,15|
64793 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CC3CC3)C=C2C1=O |c:27,t:13,15|
64794 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C1=O |c:29,t:13,15|
64795 COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CC(C)C)C=C2C1=O)c1ccc(OC)cc1 |c:16,23,t:14|
64796 OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
64797 CCCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
64798 Brc1ccc2c(c1)cc(Nc1ccccc1)[nH]c2=O
64799 CN1C2ON(C)CC[C@@]2(C)c2cc(O)ccc12
64800 [O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1 |t:1|
64801 COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc23)cc1OC
64802 COc1ccc(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
64803 Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)cc1Cl
64804 Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1
64805 COc1ccc(cc1)-c1nnc(o1)-c1cccnc1
64806 COc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
64807 Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1
64808 COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1
64809 CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1
64810 CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)cc1
64811 O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1
64812 Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1
64813 Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc2OCCOc2c1
64814 CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1
64815 COc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)cc1
64816 CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
64817 CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(C)c(Cl)c1
64818 CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1
64819 CC1CCCCN1c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
64820 CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12
64821 CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12
64822 Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccc(C)cc2)cc1
64823 Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2)cc1
64824 C(c1ccccc1)n1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
64825 Clc1ccccc1Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
64826 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1
64827 Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1
64828 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC
64829 OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O
64830 Cc1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
64831 Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3Cl)ncc12
64832 Cc1ccccc1OCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O
64833 CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)nc1
64834 Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2cccc(Cl)c2)cc1
64835 Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1
64836 Cn1cc(\C=C\c2cc[n+](C)cc2)c2cc(Cl)ccc12
64837 c1ccc(cc1)-c1n[n+](c(s1)-c1ccccc1)-c1ccccc1
64838 CCOC(=O)c1cnc(nc1NCc1ccc2OCOc2c1)-n1nc(C)cc1C
64839 CCOC(=O)c1cnc(nc1NCCc1ccccc1)-n1nc(C)cc1C
64840 CCOC(=O)c1cnc(nc1NCc1ccc2OCOc2c1)-n1cc(C)cn1
64841 Clc1ccc(cc1)-n1nnnc1-c1cnc(nc1-c1cccs1)-c1ccccn1
64842 c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccn1
64843 CC1=NOC(=O)\C1=C\c1ccc(o1)-c1ccc(Cl)cc1 |t:1|
64844 COc1cnc(nc1Sc1cccc(Cl)c1)-c1ccccn1
64845 COc1cnc(nc1Sc1ccccc1Cl)-c1ccccn1
64846 COc1cnc(nc1Oc1cccc(Cl)c1)-c1ccccn1
64847 COc1ccc2c(Cl)c(sc2c1)C(=O)NN=Cc1ccc2OCOc2c1
64848 Cc1ccn2c(Nc3ccc4OCOc4c3)c(nc2c1)-c1ccccn1
64849 O=C(Nc1nc(cs1)-c1ccccn1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
64850 COc1ccc(CN2C(=O)Cc3c2nc(N)c2c(N)nc(N4CCCCC4)c(C#N)c32)cc1
64851 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)NC1CCCCC1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
64852 Cc1ccc(Nc2c(nc3cccc(C)n23)-c2ccccn2)cc1
64853 COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccccn3)cc2)nc(OC)n1
64854 O=C1Nc2ccccc2N2CCCC12
64855 COc1cnc(nc1Sc1ccccc1)-c1ccccn1
64856 COc1cnc(nc1Sc1ccc(F)cc1)-c1ccccn1
64857 COc1cnc(nc1Sc1ccc(C)cc1)-c1ccccn1
64858 COc1ccc(Sc2nc(ncc2OC)-c2ccccn2)cc1
64859 Nc1nc(nc(N)c1Cc1c(F)cccc1Cl)-c1ccccn1
64860 Cc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(O)=O
64861 Nc1nc(nc(N)c1Cc1ccc(Cl)cc1Cl)-c1ccccn1
64862 CN1CCN(CC1)C(c1ccccn1)c1cc(Cl)c2cccnc2c1O
64863 [H]C12CC3([H])C4C5NC6=C(C(=O)C(=O)C=C6C15CCN2CC3=CCOC4CC(O)=O)[N+]([O-])=O |c:14,26,t:8|
64864 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1ccc(OC)cc1OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|
64865 OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1
64866 OC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(n1)-c1ccc(F)cc1
64867 COc1cnc(nc1Oc1cccc(c1)C(F)(F)F)-c1ccccn1
64868 OC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(n1)-c1ccccc1
64869 COc1ccc2c(Cl)c(sc2c1)C(=O)NN=Cc1ccncc1
64870 CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)ccc12
64871 Fc1ccc(cc1)C(=O)Nc1ccc(Cl)nc1
64872 Fc1ccc(NC(=O)NC2CCN(Cc3nnnn3Cc3ccc4OCOc4c3)CC2)cc1
64873 FC(F)(F)COc1nc(OCC(F)(F)F)nc(n1)N1CCN(CC1)c1ccccc1
64874 N=C1Oc2c(ccc3cccnc23)C(C1C#N)c1cccnc1
64875 O=C(NCCNC(=O)c1ccco1)C(c1ccccc1)c1ccccc1
64876 FC(F)(F)C1CC(Nc2cc(nn12)C(=O)NCC1CCCO1)c1ccc(Br)cc1
64877 CC(C)c1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1
64878 Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
64879 COc1ccc(cc1)-c1csc(n1)N(CC1CCCO1)C(=O)c1ccco1
64880 CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(c2)-n2cnnn2)cc1
64881 COc1ccc(CNCCNC(=O)c2ccco2)c(OC)c1OC
64882 CCOC(=O)C1CCCN(C1)c1cc(C)nc2cc(nn12)-c1ccc(F)cc1
64883 CCn1c2ccccc2c(O)c(C(=O)NCc2cccnc2)c1=O
64884 Cn1c(SCC(=O)N2CCCc3ccccc23)nnc1-c1ccccc1
64885 CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)C(C)(C)C)cc1
64886 COc1cccc(CN(C2CC2)C(=O)c2cc3ccccc3oc2=O)c1
64887 CCc1nnc(NC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)s1
64888 CCn1c(NC(=O)c2cccs2)nc2ccccc12
64889 CC(C)CCNC(=O)C(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
64890 O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)OC1CCCCC1
64891 Clc1ccc(cc1)C(N(C(=O)c1cnccn1)c1ccc2OCOc2c1)C(=O)NC1CCCCC1
64892 Clc1cccc(NC(=O)Nc2nccs2)c1
64893 Clc1ccc(OCC(=O)NC2CCSC2=O)cc1
64894 COc1ccc(cc1)C(=O)C(CN1CCCC1)c1ccccc1
64895 CC(=O)c1ncnn1CC(=O)c1ccc(Cl)cc1Cl
64896 OCc1ccnc2c(O)cccc12
64897 O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1
64898 Cc1cc(Oc2ccccc2)nc(n1)-c1ccccc1O
64899 COc1cccc(c1)C1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1Cc1ccco1
64900 CCOC(=O)CC(C(C)N=O)c1ccccc1
64901 C(Sc1nnc(-c2cccs2)n1Cc1ccco1)c1ccccc1
64902 COc1ccc(cc1OC)-c1cc(n[nH]1)-c1cc(F)ccc1O
64903 CCCCOP(=O)(C(O)c1ccccc1F)c1ccc(cc1)N(C)C
64904 Nc1nnnn1N=Cc1cccc(Oc2ccccc2)c1
64905 Brc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1
64906 COCC(=O)Nc1nc2NC(CC(c3ccccc3Cl)n2n1)c1ccc(OC)cc1
64907 [H]C12CCN(CC1)C(Cc1ccc(OCCOc3ccccc3)cc1)C2=O |TLB:8:7:2.3:6.5,THB:26:25:2.3:6.5,(12.06,2.4,;11.57,3.85,;7.73,2.16,;8.5,.83,;11.17,2.37,;13.99,1.2,;14.39,2.69,;9.66,5.16,;8.18,5.56,;7.78,7.05,;8.87,8.14,;8.47,9.62,;6.98,10.02,;6.58,11.51,;5.09,11.91,;4.69,13.4,;3.21,13.8,;2.81,15.28,;3.9,16.37,;3.5,17.86,;2.01,18.26,;.92,17.17,;1.32,15.68,;5.89,8.93,;6.29,7.45,;11,5.93,;11.4,7.42,)|
64908 CCCC1C(NC(CC1(C)O)c1ccco1)c1ccco1
64909 COc1ccc(CCn2c(C)cc3OC(=N)C(C#N)C(c4ccc5OCOc5c4)c3c2=O)cc1OC
64910 COc1ccc(cc1)C1N=C(Nc2ccc(C)cc2)Nc2nc(C)cc(=O)n12 |t:10|
64911 CCCCn1c(CN2CCN(CC2)C(=O)OCC)nc2n(C)c(=O)n(C)c(=O)c12
64912 Nc1nc(CN2CCN(CC2)c2ccccn2)nc(Nc2ccc(F)cc2)n1
64913 CSCCC1NC2([C@H]3[C@@H]1C(=O)N(C1CCCC1)C3=O)C(=O)Nc1c2cc(Cl)cc1C
64914 CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O
64915 COc1ccc(cc1OC)-c1cc(n[nH]1)-c1c(O)c(OC)c2occc2c1OC
64916 Cc1ccc(C)c(SCC(=O)Nc2nnc(o2)-c2ccccc2)c1
64917 O=C(CSc1nc(cs1)-c1ccccc1)Nc1nccs1
64918 COC(=O)c1c(NC(=O)c2cccnc2)scc1-c1cccs1
64919 CN(C1CCCCC1)C(=O)CSc1nnc(o1)-c1ccco1
64920 Clc1ccc2N=C3CNC(=O)CN3C(c3ccccc3)c2c1 |t:5|
64921 CCc1nnc(NC(=O)Cn2ccc(n2)C(F)(F)F)s1
64922 Cc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O
64923 Cc1nn(c(C)c1C(=O)Nc1nnc(o1)-c1ccco1)-c1ccccc1
64924 OC(=O)c1ccc(Cn2c(O)csc2=S)cc1
64925 COc1ccc(cc1OC)C1Nc2ccccc2C(=O)N1O
64926 COCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)o1
64927 Fc1ccc(CNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)cc1
64928 Cn1c2ccccc2c(OCCCC(=O)Nc2cccnc2)cc1=O
64929 COC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
64930 COC(=O)c1c[nH]n2c1nc(C)c(Cc1ccc(F)cc1Cl)c2=O
64931 COc1ccc(cc1)C(=O)N(CN1CCCC1=O)c1ccc(C)cc1
64932 CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
64933 OC(=O)C(CC(=O)Nc1cccc(Cl)c1)NCCN1CCOCC1
64934 CC1CCCN(C1)C(c1sc2nc(C)nn2c1O)c1cccc(F)c1
64935 Cc1ccc(cc1)C1C2CSCCC2=C(C#N)C(=N)C1(C#N)C#N |t:15|
64936 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)CCC(=O)N1CCn2c1nc1ccccc21
64937 O=C(CN1C(=O)COc2ccccc12)NCCCN1CCc2ccccc2C1
64938 Fc1ccc(Cn2nnc3c2ncn(CC(=O)NC2CCCC2)c3=O)cc1
64939 O=C1C2CCCN2C(N1c1ccccn1)c1ccccc1
64940 O=C(Cc1ccccc1)Nc1nonc1NC(=O)c1ccccc1
64941 [H]C12CC3([H])CC(CC(N)=O)(C1)CC(CC(N)=O)(C2)C3 |THB:18:13:5:1.11.2,18:1:5:13.12.19,2:1:12:3.5.19,14:13:5:1.11.2|
64942 CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccc(cc2c1=O)N1CCOCC1
64943 Cc1cc(C)c2ccc(N)nc2c1O
64944 COc1ccc(cc1OC)[C@H]1N(C(=O)c2ccccc12)c1ccc2nc[nH]c2c1 |r|
64945 CCCOc1ccc(cc1)[C@H]1N(C(=O)c2ccccc12)c1ccc2nc[nH]c2c1 |r|
64946 CCOc1ncc2ccccc2c1C(=O)N1[C@@H]2CC[C@H]1[C@H](COc1ccccn1)C2 |r,TLB:21:20:18.17:15|
64947 Clc1ccc(cc1)[C@H]1N(C(=O)c2ccccc12)c1ccc2nc[nH]c2c1 |r|
64948 Clc1ccc(cc1)[C@@H]1N(C(=O)c2ccccc12)c1ccc2nc[nH]c2c1 |r|
64949 O=C1NCC(C2CCC(CC2)c2ccccc2)N1c1ccc2nc[nH]c2c1 |(-6.72,.76,;-5.39,1.53,;-4.91,2.99,;-3.37,2.99,;-2.9,1.53,;-1.41,1.13,;-1.01,-.36,;.48,-.75,;1.57,.33,;1.17,1.82,;-.32,2.22,;3.05,-.06,;3.53,-1.53,;5.04,-1.85,;6.07,-.7,;5.59,.76,;4.09,1.08,;-4.14,.63,;-4.14,-.91,;-2.81,-1.68,;-2.81,-3.22,;-4.14,-3.99,;-4.46,-5.5,;-5.99,-5.66,;-6.62,-4.26,;-5.47,-3.22,;-5.47,-1.68,)|
64950 CCC(=O)N1CCN(CC1)c1ccc(Cl)cc1NC(=O)c1ccc2OCCOc2c1
64951 O=C1NCC(C2CCN(CC2)c2ccccc2)N1c1ccc2nc[nH]c2c1
64952 COCCCc1ccc(cc1)C1CNC(=O)N1c1ccc2[nH]cnc2c1
64953 Oc1ccc(cc1)C1CNC(=O)N1c1ccc2[nH]cnc2c1
64954 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(OC2CCCCC2)cc1
64955 COCCOc1ccc(cc1)C1CNC(=O)N1c1ccc2[nH]cnc2c1
64956 CN(C)CCOc1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r|
64957 CCCOc1ccc(cc1)C1CN(CCc2ccccc2)C(=O)N1c1ccc2[nH]cnc2c1
64958 CCCOc1ccc(cc1)C1CN(Cc2ccc3ccccc3c2)C(=O)N1c1ccc2[nH]cnc2c1
64959 CCCOc1ccc(cc1)C1CN(CCCc2ccccc2)C(=O)N1c1ccc2[nH]cnc2c1
64960 CCCOc1ccc(cc1)C1CN(Cc2ccccc2)C(=O)N1c1ccc2[nH]cnc2c1
64961 Cc1[nH]nc(c1-c1cnn(c1)-c1ccccc1)-c1ccc(O)c(C)c1O
64962 COc1cc(ccc1F)C1CNC(=O)N1c1ccc2[nH]cnc2c1
64963 CCCOc1ccc(cc1F)C1CNC(=O)N1c1ccc2[nH]cnc2c1
64964 CCCOc1ccc(C2CNC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1
64965 CCN(CC)c1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r|
64966 Clc1ccc(cc1)C1CNC(=O)N1c1ccc2[nH]cnc2c1
64967 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCCCC1
64968 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCC(CC1)N1CCOCC1 |(-9.12,-2.76,;-8.08,-1.62,;-8.09,-.08,;-6.62,.4,;-5.72,-.85,;-6.62,-2.1,;-6.14,-3.56,;-4.64,-3.88,;-4.16,-5.35,;-5.19,-6.49,;-5.03,-8.02,;-6.44,-8.65,;-7.47,-7.5,;-6.7,-6.17,;-7.18,-4.7,;-4.18,-.77,;-3.48,.6,;-1.94,.68,;-1.1,-.61,;-1.8,-1.98,;-3.34,-2.06,;.43,-.77,;1.34,.48,;2.87,.32,;3.49,-1.09,;2.59,-2.34,;1.06,-2.18,;5.02,-1.25,;5.65,-2.66,;7.18,-2.82,;8.09,-1.57,;7.46,-.17,;5.93,-.01,)|
64969 CN1CCC(CC1)c1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r|
64970 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCOCC1
64971 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCC(=O)CC1
64972 FC1(F)CCC(CC1)c1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r|
64973 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)N1CCCCC1
64974 O=C1NCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)N1CCOCC1
64975 O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(cc1)C1CCCCC1
64976 O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(cc1)N1CCCC1
64977 O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(cc1)N1CCCCC1
64978 O=C1NCC(N1c1ccn2ccnc2c1)c1cccc(c1)N1CCCCC1
64979 COc1cc2c(O)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC
64980 COCCCc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64981 CN(C)CCCc1ccc(cc1)[C@@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
64982 Cc1cc(cc2nc[nH]c12)N1[C@H](COC1=O)c1ccccc1 |r|
64983 Fc1cc(cc2nc[nH]c12)N1[C@H](COC1=O)c1ccccc1 |r|
64984 O=C1OC[C@H](CC2CCCCC2)N1c1ccc2[nH]cnc2c1 |r|
64985 Cc1cccc(NC(=O)CSC(N)=O)c1C
64986 O=C1OC[C@H](C2CCCCC2)N1c1ccc2[nH]cnc2c1 |r|
64987 Oc1ccc([N+]([O-])=O)c2cccnc12
64988 O=C1OC[C@H](C2CCC(CC2)c2ccccc2)N1c1ccc2[nH]cnc2c1 |r,wD:4.4,(-1.84,-.27,;-.31,-.43,;.94,.48,;2.18,-.43,;1.71,-1.89,;2.67,-3.09,;4.2,-2.85,;5.17,-4.04,;4.61,-5.48,;3.09,-5.72,;2.12,-4.53,;5.52,-6.73,;4.89,-8.13,;5.8,-9.38,;7.33,-9.22,;7.96,-7.81,;7.05,-6.57,;.17,-1.89,;-.74,-3.14,;-.11,-4.54,;-1.02,-5.79,;-2.55,-5.63,;-3.7,-6.66,;-5.03,-5.89,;-4.71,-4.38,;-3.18,-4.22,;-2.27,-2.98,)|
64989 O=C1OC[C@H](C2CCN(CC2)c2ccccc2)N1c1ccc2[nH]cnc2c1 |r|
64990 CC(C1COC(=O)N1c1ccc2[nH]cnc2c1)c1ccccc1
64991 CCCOc1ccc(C[C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 |r|
64992 CC(C)Oc1ccc(C[C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 |r|
64993 O=C1OC[C@H](Cc2ccc(Oc3ccccc3)cc2)N1c1ccc2[nH]cnc2c1 |r|
64994 CCOCCCNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc[nH]1
64995 O=C1OC[C@H](CCc2ccccc2)N1c1ccc2[nH]cnc2c1 |r|
64996 O=C1OCC(N1c1ccc2[nH]cnc2c1)c1ccc(OC2CCCCC2)cc1
64997 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1 |w:11.12|
64998 CCCOc1ccc(cc1)[C@H]1COC(=O)N1c1cc(C)c2[nH]cnc2c1 |r|
64999 COCCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
65000 CN(C)CCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
65001 COc1cc(F)c(C2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1
65002 CCN(CC)c1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
65003 COCCN(CCOC)c1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
65004 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)N(C1CC1)C1CC1 |r|
65005 Clc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2)c(Cl)c1
65006 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)-c1ccccc1 |r|
65007 O=C1OCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCC(=O)CC1
65008 COC1CCC(CC1)c1ccc(cc1)C1COC(=O)N1c1ccc2[nH]cnc2c1 |(11.66,-1.62,;10.75,-2.86,;9.21,-2.86,;8.44,-1.53,;6.9,-1.53,;6.13,-2.86,;6.9,-4.2,;8.44,-4.2,;4.59,-2.86,;3.82,-4.2,;2.28,-4.2,;1.51,-2.86,;2.28,-1.53,;3.82,-1.53,;-.03,-2.78,;-.79,-1.45,;-2.3,-1.77,;-2.46,-3.3,;-3.61,-4.33,;-1.06,-3.93,;-.74,-5.43,;.73,-5.91,;1.05,-7.42,;-.1,-8.45,;-.1,-9.99,;-1.56,-10.46,;-2.46,-9.22,;-1.56,-7.97,;-1.88,-6.47,)|
65009 OC1CCC(CC1)c1ccc(cc1)C1COC(=O)N1c1ccc2[nH]cnc2c1 |(10.75,-2.86,;9.21,-2.86,;8.44,-1.53,;6.9,-1.53,;6.13,-2.86,;6.9,-4.2,;8.44,-4.2,;4.59,-2.86,;3.82,-4.2,;2.28,-4.2,;1.51,-2.86,;2.28,-1.53,;3.82,-1.53,;-.03,-2.78,;-.79,-1.45,;-2.3,-1.77,;-2.46,-3.3,;-3.61,-4.33,;-1.06,-3.93,;-.74,-5.43,;.73,-5.91,;1.05,-7.42,;-.1,-8.45,;-.1,-9.99,;-1.56,-10.46,;-2.46,-9.22,;-1.56,-7.97,;-1.88,-6.47,)|
65010 O=C1OCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCC(CC1)N1CCOCC1 |(-3.61,-4.33,;-2.46,-3.3,;-2.3,-1.77,;-.79,-1.45,;-.03,-2.78,;-1.06,-3.93,;-.74,-5.43,;.73,-5.91,;1.05,-7.42,;-.1,-8.45,;-.1,-9.99,;-1.56,-10.46,;-2.46,-9.22,;-1.56,-7.97,;-1.88,-6.46,;1.51,-2.86,;2.28,-4.2,;3.82,-4.2,;4.59,-2.86,;3.82,-1.53,;2.28,-1.53,;6.13,-2.86,;6.9,-1.53,;8.44,-1.53,;9.21,-2.86,;8.44,-4.2,;6.9,-4.2,;10.75,-2.86,;11.52,-4.2,;13.06,-4.2,;13.83,-2.86,;13.06,-1.53,;11.52,-1.53,)|
65011 O=C1OCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)N1CCCC1
65012 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)N1CCCCC1 |r|
65013 Cc1ccc(cc1)-c1cn(c2SCCC[n+]12)-c1ccccc1
65014 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1cccc(c1)N1CCCCC1 |r|
65015 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)N1CCOCC1 |r|
65016 COCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12
65017 O=C1OC[C@@H](N1c1ccc2[nH]cnc2c1)c1cccc(c1)N1CCOCC1 |r|
65018 O=C1OCC(N1c1ccc2[nH]cnc2c1)c1ccc(cc1)C1CCOCC1
65019 CN1CCC(CC1)c1ccc(cc1)C1COC(=O)N1c1ccc2[nH]cnc2c1
65020 CC1(C)C2(C)CCC1(OC2=O)C(=O)Nc1ncc(s1)[N+]([O-])=O |TLB:10:9:1:5.6|
65021 CN1CCN(CC1)c1cccc(c1)[C@H]1COC(=O)N1c1ccc2nc[nH]c2c1 |r|
65022 O=C1OC[C@@H](N1c1ccn2ccnc2c1)c1ccc2OCCOc2c1 |r|
65023 O=C1OC[C@@H](N1c1ccn2ccnc2c1)c1ccc(cc1)C1CCCCC1 |r|
65024 O=C1OC[C@@H](N1c1ccn2ccnc2c1)c1ccc(cc1)N1CCCCC1 |r|
65025 O=C1OC[C@@H](N1c1ccn2ccnc2c1)c1ccc(cc1)N1CCOCC1 |r|
65026 O=C1OC[C@@H](N1c1ccn2ccnc2c1)c1ccc(cc1)N1CCN(CC1)c1ccccc1 |r|
65027 CCCOc1ccc(cc1)C1C2C(C(=O)N1c1ccn3ccnc3c1)C(F)=CC=C2F |c:30,32|
65028 COc1ccc(cc1OC)C1C2C=CC=CC2C(=O)N1c1ccn2ccnc2c1 |c:13,15|
65029 COc1ccc(cc1OC)[C@H]1C2C=CC=CC2C(=O)N1c1ccn2ccnc2c1 |r,c:13,15|
65030 FC(F)(F)c1cnc(N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2-n2nccn2)cn1 |r,THB:8:9:13.12:15|
65031 FC(F)(F)c1cnc(N[C@H]2C[C@@H]3CC[C@H]2N3C(=O)c2ccccc2-n2nccn2)cn1 |r,THB:8:9:13.12:15|
65032 Fc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](C3)Nc2ccc(cn2)C(F)(F)F)c1-c1ncccn1 |r,TLB:15:13:11.10:8|
65033 Fc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](C3)Oc2ncc(cn2)C(F)(F)F)c1-c1ncccn1 |r,TLB:15:13:11.10:8|
65034 Fc1cccc(C(=O)N2[C@H]3CCC2[C@H](C3)Oc2ncc(cn2)C(F)(F)F)c1-c1ncccn1 |r,THB:15:13:11.10:8|
65035 Fc1ccc(OC[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccccc2-c2cccs2)nc1 |r,THB:6:7:11.10:13|
65036 Fc1ccc(OC[C@H]2C[C@@H]3CC[C@H]2N3C(=O)c2ccccc2-c2cccs2)nc1 |r,THB:6:7:11.10:13|
65037 O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1 |r|
65039 Cc1nnc(NC(=O)c2cc(cs2)[C@H]2C[C@@H]2NC2CCC2)s1 |r|
65040 Fc1cc(c(F)cc1O[C@@H]1CCCC[C@H]1c1ccccc1)S(=O)(=O)Nc1ncns1 |r|
65041 CCCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65042 Cn1c(nc2ccccc12)-c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 |(8.02,4.2,;9.56,4.2,;10.46,2.97,;11.91,3.43,;11.92,4.97,;13.07,5.99,;12.75,7.5,;11.28,7.98,;10.14,6.95,;10.46,5.44,;9.98,1.5,;10.88,.26,;12.42,.26,;9.98,-.98,;10.46,-2.44,;9.43,-3.59,;9.91,-5.05,;8.88,-6.2,;9.35,-7.66,;10.86,-7.98,;11.89,-6.83,;11.41,-5.37,;8.52,-.51,;7.19,-1.28,;5.85,-.51,;4.48,-1.33,;3.08,-.54,;3.08,1.06,;4.48,1.86,;5.85,1.03,;7.19,1.8,;8.52,1.03,)|
65043 CCCCOC[C@@H]1COc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65044 CCCCOC[C@@H]1COc2cc(ccc2O1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65045 CCCCCCN1CCc2cc(ccc2C1=O)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65046 CCCCCCN1CCc2cc(ccc2C1=O)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65047 CCCCCCC1CCc2cc(ccc2O1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65048 CCCCCCC1CCc2cc(ccc2O1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65049 CCCCCCC1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65050 CCCCCC[C@@H]1COc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65051 CCCCCC[C@H]1COc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65052 O=C(N1CCCc2ccccc12)c1ccc(s1)C(=O)N1CCCc2ccccc12
65053 CCCCCC[C@H]1COc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65054 Brc1ccc(o1)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1
65055 CCCCCC[C@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65056 CCCCCC[C@@H]1Cc2ccc(cc2CO1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65057 Cc1ccc(cc1S(=O)(=O)Nc1cccc(Cl)c1)C(=O)NCc1ccco1
65058 CCCCCC[C@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65059 CCCCCC[C@@H]1Cc2ccc(cc2CO1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65060 CCCCCO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65061 CCN(CC)c1ccc(CN=Nc2nc3ccccc3[nH]2)c(O)c1 |w:11.11|
65062 CCCCCO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65063 CCCCCCCOC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65064 CCCCCO[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65065 CCCCCO[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65066 CCCCCCO[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65067 CCCCO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65068 CCC\C=C/CO[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65069 CCC\C=C/CO[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65070 ON1C(Nc2ccccc2C1=O)c1ccc(o1)-c1cccc(Cl)c1
65071 ON1C(Nc2ccccc2C1=O)c1ccc(o1)-c1ccc(Br)cc1
65074 Cc1cccc(CO[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65075 COc1cccc(CO[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65076 FC(F)(F)c1cccc(c1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
65077 CCOc1cccc(CO[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65078 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](COCc3ccccc3)CCc2c1 |r|
65079 CCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65080 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(=S)NNC(=O)c1ccncc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
65081 CCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65082 CCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65083 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COc3ccc(F)cc3)CCc2c1 |r|
65084 CCCCCCCCCCOC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65085 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC(F)(F)F)CCc2c1 |r|
65086 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCC=C)CCc2c1 |r|
65087 [#6]\[#6](-[#6])=[#6]/[#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@H]-1-[#6]-[#6][C@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r|
65088 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCCCC=C)CCc2c1 |r|
65089 CC\C=C/COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65090 CC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65091 CC(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65092 COCCCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65093 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](COc3ccccc3)CCc2c1 |r|
65094 Cc1cc(ccc1-c1ccc(o1)C1Nc2ccccc2C(=O)N1O)[N+]([O-])=O
65095 CCC\C=C\COC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65096 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]-[#6]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@H]-1-[#6]-[#6][C@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r|
65098 CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1
65099 Cc1onc(c1C(=O)NN=C(N)COc1ccc(Cl)cc1)-c1c(Cl)cccc1Cl |w:9.9,(7.42,3.85,;6.52,2.6,;4.98,2.6,;4.5,1.14,;5.75,.23,;6.99,1.14,;8.46,.66,;9.49,-.48,;9.6,1.69,;11.07,1.21,;12.21,2.24,;11.89,3.75,;13.68,1.77,;14.82,2.8,;16.29,2.32,;16.61,.82,;18.07,.34,;19.21,1.37,;20.68,.9,;18.89,2.88,;17.43,3.35,;5.75,-1.31,;4.41,-2.08,;3.08,-1.31,;4.41,-3.62,;5.75,-4.39,;7.08,-3.62,;7.08,-2.08,;8.62,-2.08,)|
65100 CC(C)(C)CCOC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65102 Cc1nc([nH]c(=O)c1Cc1ccccc1)-n1[nH]c2CCCCc2c1=O
65103 Cc1ccc(OC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65104 Cc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65105 Cc1ccccc1OC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65106 Cc1ccccc1OC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65107 Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65108 Cn1cc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cn1 |r|
65109 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3cccs3)CCc2c1 |r|
65110 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3ccsc3)CCc2c1 |r|
65111 Cc1[nH]n(-c2ccccc2)c(=O)c1CN=Nc1nncc(n1)-c1ccccc1 |w:14.15|
65112 OC(=O)c1cnc(nc1Sc1ccc(Cl)cc1)-c1ccccc1
65113 S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccs1 |w:12.13|
65114 Cc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65115 COc1ccccc1OC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65116 [H]C12CC3([H])CC(C)(C1)CC(C2)(C3)C(=O)OCCc1sc[n+](Cc2ccccc2)c1C |TLB:12:10:8:3.5.2,13:10:8:3.5.2,THB:12:3:8:10.9.11,2:3:9:1.8.11|
65117 COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65118 CC(NC(=S)NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1
65119 COc1cncc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65120 CC(C)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65121 CC(C)c1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65122 S=C(Nc1nc2ccccc2n1CCOc1ccccc1)Nc1ccccc1
65123 Oc1ccc2ccccc2c1C=NNC(=O)CSCC(=O)Nc1ccccc1 |w:12.14|
65124 COCc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65125 COc1cccc(COC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65126 COc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65127 COc1ccc(F)c(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65128 COc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1F |r|
65129 [O-][N+](=O)c1cc(ccc1Sc1nc2ccccc2s1)S(=O)(=O)C(F)(F)F
65131 Cc1cc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)sc1C |r|
65132 CCc1ccc(COC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)s1 |r|
65133 CN(C)Cc1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65134 COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC |r|
65135 CC1(C)CC(CC(C)(C)C1)OC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65136 COc1ccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c(F)c1F |r|
65137 CC[n+]1c(\C=C\N(C)c2ccccc2)oc2ccccc12
65138 CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65139 Oc1ccc2ccccc2c1C=NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1 |w:12.14|
65140 Cc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)nn1C |r|
65141 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COc3cccc(OC(F)(F)F)c3)CCc2c1 |r|
65142 Clc1ccc(NC(=S)c2nc3ccccc3[nH]2)cc1
65143 COc1cc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)ccc1C(C)(C)C |r|
65144 COc1cccc(CN=Nc2cc(ncn2)-n2nc(C)cc2-c2ccccc2)c1O |w:9.9|
65145 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](COCc3ccc(s3)C(F)(F)F)CCc2c1 |r|
65146 CC(C)CN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65147 CCCCN(C)C(=O)c1cccc(OC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65148 CCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65149 CCCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65150 CC(C)CSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65151 OC(=O)CCCCCN1C(=S)S\C(=C/c2nc3ccccc3[nH]2)C1=O
65152 Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1
65153 [O-][N+](=O)c1cccc(c1)C(=O)Oc1c(Cl)cc(Cl)c2cccnc12
65154 COc1ccc(cc1)-c1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12
65155 CCCCSC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65156 CCCCSC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65157 N[C@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@@H](CSc3ccccc3)CCc2c1 |r|
65158 N[C@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CSc3ccccc3)CCc2c1 |r|
65159 CCCCCc1ccc(nc1)-c1ccc(\C=C\C(O)=O)cc1
65160 CC(C)CSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65161 CC(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65162 Nc1nc(c(N=Nc2ccccc2Cl)s1)-c1ccccc1 |w:6.6|
65163 CC(C)CCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65164 CCCCCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65165 CCCCCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65166 CC(C)(C)CSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65167 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSc3cccnc3)CCc2c1 |r|
65168 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSc3ccncc3)CCc2c1 |r|
65169 CC(C)(C)CCSC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65170 CC(C)(C)CCSC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65171 Cc1ccccc1SC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65172 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CSCCc3ccccc3)CCc2c1 |r|
65173 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccc3)CCc2c1 |r|
65174 C(C#Cc1ccccc1)[N+]1(CC#Cc2cccc3ccccc23)CCCC1
65175 FC(F)(F)c1cccc(NC(=S)NNC(=O)c2ccc(Cl)cc2Cl)c1
65176 Cc1cccc(C)c1SC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65177 [H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OC1CCCCC1)C2(C)C |TLB:8:6:24:3.2|
65178 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccccn3)CCc2c1 |r|
65179 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CSCCc3ccncc3)CCc2c1 |r|
65180 Oc1ccc2ccccc2c1C=NNC(=O)CN1CCCc2ccccc12 |w:12.14|
65181 Nc1c2CCCCCc2nc2sc3CCCCCc3c12
65182 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CSCCc3cnccn3)CCc2c1 |r|
65183 COc1ccccc1SC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65184 COc1cccc(SC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65185 COc1ccc(SC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65186 CCCCCCCCCCCC[N+](C)(C)CC#C
65187 CC(C)c1ccccc1SC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65188 COc1ccc(SC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC |r|
65189 O=C(Nc1nnc(o1)-c1ccccc1)c1cc(nc2ccccc12)-c1cccs1
65191 CCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65192 CCCSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65193 CCCSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65194 CC(C)SCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65195 CC(C)SCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65196 O=C(\C(=C\c1ccccc1)N1C=CC=CC1=C(C#N)C#N)c1cccs1 |c:12,14|
65197 CC(C)CSCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65198 CC(C)CSCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65199 COCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65200 CCOCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65201 CC(C)COCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65202 CC(C)COCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65203 COc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
65204 COc1cccc(OCC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65205 COc1cccc(OCC[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65206 COc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c(C)c1 |r|
65207 CCOc1ccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65208 Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Br)ccc2O)c1CSC1=NCCS1 |w:13.13,t:29|
65209 CCOc1cccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65210 Cc1cc(C)c2nc(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1
65211 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)C(\NC(=O)c2ccccc2)=C/c2cccs2)c1
65212 CCOc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65213 CCOC(=O)c1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
65214 [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |c:4|
65215 COCc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65216 CCOc1cccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65217 COCc1cccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65218 Cc1ccc(SCCC(=O)NN=Cc2ccccc2O)cc1 |w:11.10|
65219 COc1ccc(cc1OC)-c1nn(cc1C=NNC(=S)NC(C)C)-c1ccccc1 |w:16.18|
65220 CC1CCc2sc(cc2C1)C(=O)NNC(=S)Nc1cccc(C)c1C
65221 COc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1OC |r|
65222 COc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1F |r|
65223 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCCCC=C)CCc2c1 |r|
65224 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@H]-1-[#6]-[#6][C@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r|
65225 O=C(Oc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1)c1cccs1
65226 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCCC3CCOCC3)CCc2c1 |r|
65227 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCC3CCOCC3)CCc2c1 |r|
65228 CC(C)Oc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65229 CC(C)Oc1cccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65230 CN(C)CCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65231 CN(C)C(=O)Cc1ccc(C[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65232 COc1ccccc1CCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65233 COc1cccc(CCC[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65234 COc1ccc(I)cc1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65235 [#6](\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1)-c1ccccc1-[#16]-c1cccc2ccccc12
65236 CN1C=NCC1CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r,c:2|
65237 COc1cccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65238 COc1ccc(C[C@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)cc1 |r|
65239 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCc2c1)c1ccccc1 |r|
65240 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)c1ccccc1 |r|
65241 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](Cc3ccccc3)CCc2c1 |r|
65242 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](Cc3ccccc3)CCc2c1 |r|
65243 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCc3ccccc3)CCc2c1 |r|
65244 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@H](CCc2c1)c1ccncc1 |r|
65245 FC(F)Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)cc1
65246 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1cc(=O)c(-[#8]-[#6])co1)\[#6](=O)-[#8]-[#6]-[#6]
65247 Cc1ccc(cc1)-c1cc(-c2ccc(C)cc2)[n+](C)o1
65248 CCOC(=O)c1ccc(cc1)-c1ccc(o1)C1Nc2ccccc2C(=O)N1O
65249 CCCCCC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65250 CCCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65251 CCCCC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65252 CCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65253 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOCC=C |r|
65254 [#6]\[#6](-[#6])=[#6]\[#6]-[#8]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6]-[#6]-c2cc(ccc2-[#6]-1)-[#6@@H]-1-[#6]-[#6][C@@]([#7])([#6]-[#8]P([#8])([#8])=O)[#6]-1 |r|
65255 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1ccccc1 |r|
65256 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOc1ccccc1 |r|
65257 Cc1nn(C)c(C)c1\C=C\C(=O)c1ccc(Cl)cc1Cl
65258 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@@H](CCc2c1)OCCOc1ccccc1 |r|
65259 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCCC=C |r|
65260 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOC1CCCCC1 |r|
65261 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCCC#C |r|
65262 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1nccs1 |r|
65263 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc2c1)OCCOCc1cccs1 |r|
65264 CCCCOCCO[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65265 CCCCOCCO[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65266 COc1ccc(CC[C@@H]2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)cc1 |r|
65267 CCOc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
65268 COc1ccc(CC[C@H]2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)cc1 |r|
65269 COCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65270 Oc1c(Cl)cc(Br)cc1C=NNC(=O)Cc1ccccc1 |w:10.11|
65271 COCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65272 COCCCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65273 COCCCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65274 COCCCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65275 CC(C)(C)C1CCC(CC1)OC(=O)C[N+]1(C)CCCCC1 |(6.48,13.05,;6.48,11.51,;8.02,11.51,;4.94,11.51,;6.48,9.97,;5.15,9.2,;5.15,7.66,;6.48,6.89,;7.81,7.66,;7.81,9.2,;6.48,5.35,;5.15,4.58,;3.81,5.35,;5.15,3.04,;3.81,2.27,;5.15,1.5,;3.04,3.61,;1.5,3.61,;.73,2.27,;1.5,.94,;3.04,.94,)|
65276 C[N+]1(CC(=O)OC2CCCCCCCCCCC2)CCCC1
65277 [H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OCCC(C)C)C2(C)C |TLB:8:6:23:3.2|
65278 COc1ccc(NC(=O)c2cc(ccc2O)[N+]([O-])=O)cc1
65279 [H]C12CC3([H])CC(C)(C1)CC(CC(=O)OCCc1sc[n+](Cc4ccc(cc4)[N+]([O-])=O)c1C)(C2)C3 |TLB:5:3:33:6.9.8,THB:2:3:9:1.33.8,7:6:33:3.34.2,5:6:33:3.34.2|
65280 CC(C)OCCC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65281 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCCOCC=C)CCc2c1 |r|
65282 CC(C)OCCC[C@@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65283 OC(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1
65284 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@@H](CCc3ccc4ccccc4n3)CCc2c1 |r|
65285 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@H](CCc3ccc4ccccc4n3)CCc2c1 |r|
65286 CCOc1cc(\C=C(/C#N)C(=O)NCC2CCCO2)ccc1OCC(N)=O
65287 COc1ccc(cc1)-c1cc([nH]n1)C(=O)NNC(=S)NC(=O)c1c(C)onc1-c1ccccc1
65288 N[C@@]1(COP(O)(O)=O)CC[C@H](C1)c1ccc2C[C@@H](CCc3cccnc3)CCc2c1 |r|
65289 Oc1ccccc1C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
65290 CCOC(=O)c1s\c(=N/C(=O)c2ccco2)n(C)c1C
65291 COc1cccc(F)c1CC[C@H]1CCc2cc(ccc2C1)[C@@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65292 COc1cc(CC[C@H]2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)ccc1F |r|
65293 COc1ccc(F)c(CC[C@H]2CCc3cc(ccc3C2)[C@@H]2CC[C@@](N)(COP(O)(O)=O)C2)c1 |r|
65294 CC(C)OCCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65295 COC(C)CCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65296 CCCCCCC1CCc2nc(ccc2C1)C1CCC(N)(COP(O)(O)=O)C1
65297 N[C@@]1(COP(O)(O)=O)CCC(C1)c1ccc2C(=O)N(CCCc3ccccc3)Cc2c1 |r|
65298 N[C@]1(COP(O)(O)=O)CCC(C1)c1ccc2C(=O)N(CCCc3ccccc3)Cc2c1 |r|
65299 CC1(C)N(CCCc2ccccc2)C(=O)c2ccc(cc12)C1CCC(N)(COP(O)(O)=O)C1
65300 CCCCCC(=O)N1CCc2cc(ccc2C1)C1CCC(N)(COP(O)(O)=O)C1
65301 NNC(=O)c1cc(O)c(O)c(O)c1
65302 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CS(=O)(=O)c3ccccc3)CCc2c1 |r|
65303 CCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(O)(O)=O)C3)c(I)cc2C1 |r|
65304 CCCCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(O)(O)=O)C3)c(C)cc2C1 |r|
65305 Oc1ccc(cc1)-n1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
65306 CCCCCC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65307 COc1ccccc1NCC(=O)NN=Cc1cccc(CC=C)c1O |w:13.13|
65308 CCCCC(C)(C)C(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65309 CCCCNC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65310 CCCCCCNC(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65311 CCCCN(C)C(=O)OC1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65312 CCCCC(=O)NNC(=S)NC(=O)c1ccc(C)cc1
65313 Clc1ccc(OCC(=O)C(C#N)c2nc3ccccc3s2)cc1
65314 CCCCCC(=O)NC1CCc2cc(ccc2C1)[C@H]1CC[C@@](N)(COP(O)(O)=O)C1 |r|
65315 Oc1cc2ccccc2cc1C(=O)NNC(=S)NC(=O)c1ccco1
65316 CCCCC1CCCC2(CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)O1 |r|
65317 CCCC[C@H]1CCCC2(CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)O1 |r|
65318 CCCC[C@@H]1CCCC2(CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)O1 |r|
65319 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2CC3(CCCCO3)CCc2c1 |r|
65320 CCCCC1CCc2cc(ccc2C1=O)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65321 CCCC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65323 Oc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
65324 COCCC\C=C\[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65325 Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1
65326 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)\C=C\CCC=C |r|
65327 COCCC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65328 CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(cc1)-c1ccccc1
65329 CC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
65330 COc1ccccc1\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65331 O[n+]1c([N-]CCCN2CCCC2=O)c(nn1-c1ccc(Cl)cc1)[N+]([O-])=O
65332 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CCc2c1)\C=C\C1CCOCC1 |r|
65333 COc1cccc(\C=C\[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65334 Cc1cccc(\C=C\[C@@H]2CCc3cc(ccc3C2)[C@H]2CC[C@](N)(COP(O)(O)=O)C2)c1 |r|
65335 CC(C)CC\C=C\[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65336 COc1ccc[c-](\C=[NH+]\NC(=O)c2ccc(Cn3cc(Br)c(n3)[N+]([O-])=O)o2)c1=O
65337 [H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OC(C)CC)C2(C)C |TLB:8:6:22:3.2|
65338 CCCC\C=C\C1=Cc2ccc(cc2CC1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r,t:6|
65340 CCCC\C=C\[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65342 CC\C=C\CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65343 CC\C=C/CC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65344 CCC\C=C\C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65345 CCC\C=C/C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65346 CCC\C=C\C[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65347 CCC\C=C/C[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65348 C\C=C/CCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65349 C\C=C/CCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65350 CC\C=C\CC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65351 C\C=C\CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65352 C\C=C/CCCC[C@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65353 CCOc1ccc(C=NNC(=O)c2[nH]ncc2Br)c(O)c1 |w:8.8|
65354 C\C=C/CCCC[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65355 C\C(=N/OCc1ccccc1)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65356 CCCCO\N=C(/C)[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65357 CC(C)CO\N=C1\CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65358 N[C@]1(COP(O)(O)=O)CC[C@@H](C1)c1ccc2C[C@@H](CS(=O)c3ccccc3)CCc2c1 |r|
65359 C[N+](C)=c1ccn(CC(=O)c2ccc(cc2)-c2ccccc2)cc1 |(.83,.83,;2.16,1.6,;3.49,.83,;2.16,3.14,;.83,3.91,;.83,5.45,;2.16,6.22,;2.16,7.76,;3.49,8.53,;4.83,7.76,;3.49,10.07,;4.83,10.84,;4.83,12.38,;3.49,13.15,;2.16,12.38,;2.16,10.84,;3.49,14.69,;4.83,15.46,;4.83,17,;3.49,17.77,;2.16,17,;2.16,15.46,;3.49,5.45,;3.49,3.91,)|
65360 CCCCS(=O)C[C@@H]1CCc2cc(ccc2C1)[C@H]1CC[C@](N)(COP(O)(O)=O)C1 |r|
65361 CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
65362 O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12
65363 CSc1cccc(Cn2ccc3c(Nc4nc(N[C@@H]5CCCC[C@@H]5N)ncc4C(N)=O)cccc23)c1
65364 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-n4cccc4)cc3F)C(O)=O)cc2)c1=O |r|
65365 COc1ccc(NC(=O)C(=C/c2ccc(o2)N2CCOCC2)\C#N)cc1
65366 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r|
65367 CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3ncn(C)c3c2=O)C(O)=O)c(F)c1 |r|
65368 Cn1cnc2n(C)c(=O)n(-c3ccc(C[C@H](NC(=O)c4c(F)cc(NS(=O)(=O)c5ccc(cn5)-c5ncccn5)cc4F)C(O)=O)cc3)c(=O)c12 |r|
65369 CCNC(=O)c1ccc(cn1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)ccn(C)c2=O)C(O)=O)c(F)c1 |r|
65370 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CCCC4)cc3F)C(O)=O)cc2)c1=O |r|
65371 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CCCC4)cc3F)C(O)=O)cc2)c1=O |r|
65372 [#6]-c1c(-[#7]\[#7]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)c(=O)n(-c2ccccc2)n1-[#6]
65373 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC(C)(C)C)cc3F)C(O)=O)cc2)c1=O |r|
65374 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC(C)(C)C)cc3F)C(O)=O)cc2)c1=O |r|
65375 Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)CC#N
65376 Cc1ccc(cn1)-c1ccc(nc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
65377 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccc(cn4)-c4ncccn4)cc3F)C(O)=O)cc2)c1=O |r|
65378 CCC(Oc1ccccc1)C(=O)Nc1ncc(s1)[N+]([O-])=O
65379 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CCCCC4)cc3F)C(O)=O)cc2)c1=O |r|
65380 CCC(CC)NC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)ccn(C)c2=O)C(O)=O)c(F)c1 |r|
65381 CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)cc(C)n(C)c2=O)C(O)=O)c(F)c1 |r|
65382 CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)cc(C(C)C)n(C)c2=O)C(O)=O)c(F)c1 |r|
65383 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NC4CC4)cc3F)C(O)=O)cc2)c1=O |r|
65384 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccccn4)cc3F)C(O)=O)cc2)c1=O |r|
65385 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r|
65386 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)C(=O)NCC4CCOCC4)cc3F)C(O)=O)cc2)c1=O |r|
65387 CC(=O)Oc1ccc2c(c1)occ(-c1nc3ccccc3s1)c2=O
65388 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(nc4)C(=O)NC(C)(C)C)cc3F)C(O)=O)cc2)c1=O |r|
65389 Cc1cc(ccc1S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)ccn(C)c2=O)C(O)=O)c(F)c1)C(=O)NC(C)(C)C |r|
65391 Cc1cn(C)c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(nc4)C(=O)NC(C)(C)C)cc3F)C(O)=O)cc2)c1=O |r|
65392 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccco4)cc3F)C(O)=O)cc2)c1=O |r|
65393 Cc1ccc2nc(Cl)c3nnnn3c2c1
65394 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cn4)-c4ncccn4)cc3F)C(O)=O)cc2)c1=O |r|
65395 CNCc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)ccn(C)c2=O)C(O)=O)c(F)c1 |r|
65396 [#6]-[#6]-1=[#6]\[#6](=[#6]\c2sc3ccccc3[n+]2-[#6])-[#6]=[#6](-[#6])-[#8]-1 |t:1,17|
65397 CCC(C)(C)c1ccc(OCCCC[n+]2ccc(C)cc2)c(c1)C(C)(C)CC
65398 CNCc1ccc(cc1)S(=O)(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
65399 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccsc4)cc3F)C(O)=O)cc2)c1=O |r|
65400 Cn1c2c[n+]([O-])ccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4cc[n+]([O-])cc4)cc3F)C(O)=O)cc2)c1=O |r|
65401 Cc1cc(CNC(C)(C)C)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
65402 Cc1cc(CNC2CCCC2)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
65403 COc1ccccc1S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
65404 COc1cc2c(cn1)n(C)c(=O)n(-c1ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccco4)cc3F)C(O)=O)cc1)c2=O |r|
65405 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccc5CCC(=O)c5c4)cc3F)C(O)=O)cc2)c1=O |r|
65406 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccc(cc4)-c4ccco4)cc3F)C(O)=O)cc2)c1=O |r|
65407 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ccc(NS(=O)(=O)c4ccc[nH]4)cc3F)C(O)=O)cc2)c1=O |r|
65409 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ncc(NS(=O)(=O)c4ccco4)cc3F)C(O)=O)cc2)c1=O |r|
65410 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3ncc(NS(=O)(=O)c4ccncc4)cc3F)C(O)=O)cc2)c1=O |r|
65411 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccccc4)cc3F)C(O)=O)cc2)c1=O |r|
65412 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3c(F)cc(NS(=O)(=O)c4ccccc4O)cc3F)C(O)=O)cc2)c1=O |r|
65413 CCOc1ccccc1S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cc2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1 |r|
65414 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccco4)cc3F)C(O)=O)cc2)c1=O |r|
65415 CC(=O)c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cc1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65417 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccco4)cc3F)C(O)=O)cn2)c1=O |r|
65418 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccccn4)cc3F)C(O)=O)nc2)c1=O |r|
65419 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4cccs4)cc3F)C(O)=O)cc2)c1=O |r|
65420 Cc1cc(NC(=O)c2ccc(o2)[N+]([O-])=O)ccc1NC(=O)c1ccco1
65422 CC(=O)Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)C(C)(C)C
65423 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-c4ncccn4)cc3F)C(O)=O)nc2)c1=O |r|
65424 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)C(=O)C4CC4)cc3F)C(O)=O)nc2)c1=O |r|
65425 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-n4cncn4)cc3F)C(O)=O)nc2)c1=O |r|
65426 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-n4cncn4)cc3F)C(O)=O)cc2)c1=O |r|
65427 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-n4ccnn4)cc3F)C(O)=O)nc2)c1=O |r|
65428 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cn4)-n4cncn4)cc3F)C(O)=O)nc2)c1=O |r|
65429 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)nc2)c1=O |r|
65430 Cn1ccc(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cn4)-c4cncnc4)cc3F)C(O)=O)cc2)c1=O |r|
65431 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-n4cnnn4)cc3F)C(O)=O)nc2)c1=O |r|
65432 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-n4cnnc4)cc3F)C(O)=O)nc2)c1=O |r|
65434 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-n4cncn4)cc3F)C(O)=O)cn2)c1=O |r|
65435 Cc1cc(cc(C)n1)-c1ccc(nc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cn1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65436 COc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cn1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65437 Cc1noc2ncnc(Sc3ccc(Br)cc3)c12
65438 Cc1csc2ncnc(NCCc3ccccn3)c12
65439 CCc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cn1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65440 Cn1c2cccnc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cn4)-c4ncccn4)cc3F)C(O)=O)nc2)c1=O |r|
65441 CCOc1cc(ccc1S(=O)(=O)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(cn2)-n2c(=O)n(C)c3cnccc3c2=O)C(O)=O)c(F)c1)-c1ncccn1 |r|
65442 O=C(C(C#N)c1nc2ccccc2[nH]1)c1ccco1
65443 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-c4cnc(nc4)N4CCC4)cc3F)C(O)=O)nc2)c1=O |r|
65444 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc5COC(=O)c5c4)cc3F)C(O)=O)nc2)c1=O |r|
65445 O=c1[nH]c(Nc2ccc3OCCOc3c2)nnc1Cc1ccccc1
65446 COc1ccc(O)c(C=NNC(=O)c2c(C)nnn2-c2nonc2N)c1 |w:9.9|
65447 COc1ccc[c-](C[NH+]=Nc2nc(Nc3ccc(cc3)[N+]([O-])=O)nc(n2)N2CCCC2)c1=O |w:9.9|
65448 Cc1cn(nn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cn1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65449 Cn1c2cnccc2c(=O)n(-c2ccc(C[C@H](NC(=O)c3cc(F)c(NS(=O)(=O)c4ccc(cc4)-c4cc(F)cc(F)c4)cc3F)C(O)=O)nc2)c1=O |r|
65450 CCc1ncc(cn1)-c1ccc(nc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cn1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65451 CCc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(cc1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65452 CCc1ncc(cn1)-c1ccc(cc1)S(=O)(=O)Nc1cc(F)c(cc1F)C(=O)N[C@@H](Cc1ccc(nc1)-n1c(=O)n(C)c2cnccc2c1=O)C(O)=O |r|
65453 CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NC(C)C)c2n1 |r|
65454 Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
65455 Cc1cc(ccc1[N+]([O-])=O)C(=O)Nc1nc(cs1)-c1ccccn1
65456 Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
65457 O=C1N([C@H]2CCC(=O)NC2=O)C(=O)c2ccccc12
65458 ONC(=O)CCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2ccccc12
65459 ONC(=O)CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc12
65460 CC(=NNC(=O)c1cc(nc2ccccc12)-c1cccs1)c1ccccn1 |w:2.2|
65461 COc1ccc(CN2C(=O)C(=CNNC(=O)c3cccnc3)c3ccccc3C2=O)cc1 |w:11.11|
65462 O=C(Nc1nc(cs1)-c1ccccn1)c1cc2ccccc2o1
65463 COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
65464 ONC(=O)CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc12
65465 Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
65466 COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)cc1
65467 ONC(=O)CCCCn1cc(C(=O)NCc2cccs2)c(=O)c2ccccc12
65468 ONC(=O)CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2ccccc12
65469 ONC(=O)CCCCn1cc(C(=O)Nc2nccs2)c(=O)c2ccccc12
65470 Cc1csc(NC(=O)c2cn(CCCCC(=O)NO)c3ccccc3c2=O)n1
65471 ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2ccccc12
65472 ONC(=O)CCCCn1cc(C(=O)Nc2cc(nn2)-c2ccccc2)c(=O)c2ccccc12
65473 CC(C)[C@@H](NC(=O)[C@@H](N)C(C)O)C(=O)N[C@H]1C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@H](CC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
65474 COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccccc3)c(=O)c2c1
65475 COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccc(F)cc3)c(=O)c2c1
65476 COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(OC)cc3c2=O)cc1
65477 COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3ccc(OC)c(OC)c3)c(=O)c2c1
65478 COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3cc(nn3C)-c3ccccc3)c(=O)c2c1
65479 COc1ccc2n(CCCCC(=O)NO)cc(C(=O)Nc3nc4ccccc4s3)c(=O)c2c1
65480 ONC(=O)CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc12
65481 COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
65482 COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
65483 COc1ccc(NC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1OC
65484 ONC(=O)CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(F)ccc12
65485 ONC(=O)CCCCn1cc(C(=O)Nc2nc3ccccc3s2)c(=O)c2cc(F)ccc12
65486 CCOc1ccc(cc1)-n1c(C)cc(C(=O)CCl)c1C
65487 CCOc1ccc(cc1)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O |w:14.14|
65488 CC(C)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H](CCCCCN)NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
65489 CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
65490 Clc1cc(CN2CCOCC2)c(OC(=O)c2ccccc2)c2ncccc12
65491 CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](C)N)C(C)OC(=O)C[C@@H]2NC(=O)[C@H]3COC(=O)CC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N3)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
65492 Clc1ccc(cc1)C1CN(CCN1C(=O)c1ccc(Cl)cc1)C(=O)c1cnc(o1)-c1ccccc1
65493 Clc1ccc(cc1)[C@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r|
65494 Clc1ccc(cc1)[C@@H]1CN(CCN1C(=O)c1ccc(Br)cc1)C(=O)c1cnn2cc(Br)ccc12 |r|
65495 Cc1occc1C(=O)N\N=C\c1ccc(O)c(O)c1
65496 Cc1occc1C(=O)N\N=C\c1cc(Cl)ccc1O
65497 O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O
65498 NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2ncn2ccnc32)[C@@H](O)[C@H]1O |r|
65499 CC1OCCC1C1NN2Cc3cc(C)ccc3O[Zn+]2O1
65500 O=C(Nc1nc(=O)c2ccccc2s1)c1ccco1
65501 Nc1nc(=O)c2nc(Sc3ccc(Cl)cc3)n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c2[nH]1
65502 Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1
65503 Clc1ccccc1C(=O)Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12
65505 O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1[nH]c1nc(cn1c2=O)-c1ccccc1
65506 COC1CC(O)\C=C\C=C\C=C/C(C)C(OC(=O)\C=C/C=C/C=C\C(\C)=C\C(C)C(O)\C=C/C=C/c2coc(n2)C1C)C(C)C(O)CC(C)O |c:10,18,22,31,t:6,8,20,25,33|
65507 CC(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
65508 OS(=O)(=O)CCCCN1c2ccccc2Sc2ccc(Cl)cc12
65509 OS(=O)(=O)CCCN1c2ccccc2Sc2ccc(Cl)cc12
65510 OS(=O)(=O)CCCCCN1c2ccccc2Sc2ccc(Cl)cc12
65511 Clc1ccc2Sc3ccccc3N(CCCCN3CCOCC3)c2c1
65512 OC(=O)C#CCN1c2ccccc2Sc2ccc(Cl)cc12
65513 OC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
65514 COC(=O)c1ccc(CN2c3ccccc3Sc3ccc(Cl)cc23)cc1
65515 C[C@H]1CC[C@@H]2C[C@H](C[C@@](O)(O2)[C@@H]2CSC(=O)N2)OC(=O)\C=C(C)/CC\C=C\C=C/1 |c:29,t:22,27|
65516 C[C@H]1OC(=O)C[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C\C(C)=C\[C@H]1C)c1ccc(O)cc1 |t:36|
65517 Nc1nn2cc(nc2c2ccccc12)-c1ccc(Br)cc1
65518 CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 |w:4.3|
65519 O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1)NC1CCCC1
65520 O=C(CSc1nnc(Cn2c3ccccc3sc2=O)n1CCCc1ccccc1)NC1CCCC1
65521 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1
65522 Oc1ccc(Br)cc1\C=C\C(=O)c1ccco1
65523 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccccc2F)c2ccccc2)cc1
65524 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4|
65525 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)cc1
65526 CC(C)(C)c1ccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)cc1
65527 CCN(CC)Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1
65528 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccco2)c2ccccc2)cc1
65529 Cc1ccccc1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1
65530 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc3ccccc3c2)c2ccccc2)cc1
65531 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)cc1
65532 Cc1ccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)cc1
65533 NC1=NC[C@H](Cc2ccccc2)N1CCCCC1CCCCC1 |t:1|
65534 COc1ccccc1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1
65535 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccccc2O)c2ccccc2)cc1
65536 Brc1ccc2=NC(=O)C(NNC(=S)N3CCOCC3)=c2c1 |c:19,t:4|
65537 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2cccc(Cl)c2)c2ccccc2)cc1
65538 Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)c1
65539 COc1cc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)ccc1F
65540 CCN(CC)c1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c(O)c1 |w:10.10|
65541 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)NCc2ccc(F)cc2)c2ccccc2)cc1
65542 Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4ccc(cc4)-c4ncc(Cl)cn4)c3c2)nc1 |r|
65543 CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](NC(=O)Nc1ccc(cc1)C(=O)NCCCCCC(=O)NO)c1ccccc1
65544 Cc1cccc(NC(=O)[C@@H](NC(=O)Nc2ccc(cc2)C(=O)NCCCCCC(=O)NO)c2ccccc2)c1
65545 ONC(=O)CCCCCNC(=O)c1ccc(NC(=O)N[C@H](C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2)cc1
65546 CC(N=O)c1cc(Cl)cc(Cl)c1O
65547 CC(C)(C)OC(=O)NC(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1
65548 CS\C(Nc1cccc(c1)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1
65549 OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
65550 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)[C@@H]1Cc2c(O)c(O)ccc2[C@H](CN)O1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
65551 CS\C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1
65552 CS\C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1
65553 COc1cccc(c1)C(=O)NNC(=O)c1ccc2ccccc2c1O
65554 CS\C(Nc1cccc(c1)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65555 Oc1c(Cl)cc(Br)cc1C=NNC(=O)c1ccc2OCOc2c1 |w:10.11|
65556 CS\C(Nc1ccccc1C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65557 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccc(c1)[N+]([O-])=O
65558 CS\C(Nc1ccc(cc1)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65559 CC(=O)Oc1c(oc2ccccc2c1=O)-c1ccc(Br)o1
65560 CS\C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65561 OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(\C=C\C(=O)c2ccccc2)cc1
65562 CCS\C(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65563 CCCS\C(Nc1cccc(c1)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65564 CC(C)S\C(Nc1cccc(c1)C(F)(F)F)=C(\C#N)S(=O)(=O)c1ccccc1
65565 FC(F)(F)c1cccc(N\C(SCc2ccccc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1
65566 CCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
65567 CS\C(Nc1cccc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1
65568 CS\C(Nc1cccc(c1)[N+]([O-])=O)=C(\C#N)S(=O)(=O)c1ccccc1
65569 CS\C(Nc1cccc(c1)C#N)=C(\C#N)S(=O)(=O)c1ccccc1
65570 COC(=O)c1cccc(N\C(SC)=C(/C#N)S(=O)(=O)c2ccccc2)c1
65571 CCc1cccc(N\C(SC)=C(/C#N)S(=O)(=O)c2ccccc2)c1
65572 CCCc1cccc(N\C(SC)=C(/C#N)S(=O)(=O)c2ccccc2)c1
65573 CS\C(Nc1cccc(c1)C(C)C)=C(\C#N)S(=O)(=O)c1ccccc1
65574 Clc1cc2nc(=S)oc2c2[nH]cccc12
65575 Cc1ccc(cc1)C(=O)NNC(=O)c1cc2ccccc2cc1O
65576 [O-][N+](=O)c1ccc[c-](\C=[NH+]\c2cccc3ccccc23)c1=O
65577 COc1cccc(N\C(SC)=C(/C#N)S(=O)(=O)c2ccccc2)c1
65578 CS\C(Nc1cc(C)cc(C)c1)=C(\C#N)S(=O)(=O)c1ccccc1
65579 COC(=O)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
65580 COC(=O)c1cccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1
65581 CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65582 COc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1
65583 CC(C)(C)OC(=O)N1CCCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)C1
65584 CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r|
65585 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCN(CCC(F)(F)F)CC3)c(c2)C(F)(F)F)n[nH]1
65586 CC(C)(C)CCN1CCC(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65587 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccccc1Cl
65588 CC(C)(C)OC(=O)N1CCCC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65589 CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)CC1
65590 CC(C)(C)NC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65591 CCCCC(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
65592 CC(C)(C)N1Cc2ccc(cc2S1(=O)=O)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65593 CCn1c2ccccc2nc2ccc(cc12)=[N+](CC)CC |(3.45,9.91,;4.73,9.17,;4.73,7.69,;3.45,6.95,;2.13,7.74,;.79,6.98,;.79,5.44,;2.13,4.68,;3.45,5.47,;4.73,4.73,;6.01,5.47,;7.34,4.68,;8.68,5.44,;8.68,6.98,;7.34,7.74,;6.01,6.95,;9.95,7.72,;9.95,9.2,;11.23,9.95,;11.24,6.99,;12.51,7.73,)|
65594 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCCN(CCC(F)(F)F)C3)c(c2)C(F)(F)F)n[nH]1
65595 COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O
65596 COc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccc(C)cc1)-c1ccccc1
65597 CS(=O)(=O)NCc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65598 C[C@H](NS(C)(=O)=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r|
65599 CCOc1cc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)ccc1O
65600 CS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65601 CCOC(=O)c1c(oc2cc(Br)c(O)c(C=O)c12)-c1ccccc1
65602 CN1CCN(CC1)C(=O)CCc1c(C)c2ccc(O)c(C=O)c2oc1=O
65603 CS(=O)(=O)n1ccc2c(cccc12)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |(6.11,4.54,;5.03,3.45,;3.94,4.54,;6.11,2.36,;3.94,2.36,;2.41,2.52,;1.78,1.11,;2.92,.08,;2.92,-1.46,;4.26,-2.23,;5.59,-1.46,;5.59,.08,;4.26,.85,;1.59,-2.23,;1.59,-3.77,;2.92,-4.54,;.26,-4.54,;-1.08,-3.77,;-2.41,-4.54,;-3.74,-3.77,;-5.21,-4.24,;-6.11,-3,;-5.21,-1.75,;-5.98,-.42,;-3.74,-2.23,;-1.08,-2.23,;.26,-1.46,;.26,.08,)|
65604 CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65605 CC(C)(C)CCN1CCCC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65606 Cc1cc2oc3ccc(NCCCn4ccnc4)cc3c(=O)c2cc1C
65607 Cc1ccc(cc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65608 COc1ccc(cc1S(=O)(=O)C(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65609 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCNCC3)c(c2)C(F)(F)F)n[nH]1
65610 CC[n+]1cc(C)ccc1\C=C\c1ccc(cc1)N(C)C
65611 CC(C)(C)OC(=O)N1CCC(CC1)Oc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65612 CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65613 CC(C)S(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2n[nH]c(N)n2)cc1Cl
65614 C[C@@H](NS(C)(=O)=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r|
65615 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)CC3CCCNC3)c(c2)C(F)(F)F)n[nH]1
65616 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCCCC#N)cc2)n[nH]1
65617 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCN3)c(c2)C(F)(F)F)n[nH]1 |r,$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;$|
65618 COc1ccc[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)c1=O |w:8.7|
65619 CS(=O)(=O)Nc1ccc(c(F)c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;$,(7.85,.87,;6.52,1.64,;7.29,2.98,;5.75,.31,;5.19,2.41,;3.85,1.64,;2.52,2.41,;1.18,1.64,;1.18,.1,;2.52,-.67,;2.52,-2.21,;3.85,.1,;-.15,-.67,;-.15,-2.21,;1.18,-2.98,;-1.48,-2.98,;-2.82,-2.21,;-4.15,-2.98,;-5.48,-2.21,;-6.95,-2.68,;-7.85,-1.44,;-6.95,-.19,;-7.72,1.14,;-5.48,-.67,;-2.82,-.67,;-1.48,.1,;-1.48,1.64,)|
65620 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CCCNC3)c(c2)C(F)(F)F)n[nH]1
65621 CS(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2n[nH]c(N)n2)cc1Cl
65622 [O-][N+](=O)CC(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
65623 CS(=O)(=O)Cc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65624 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCC3CNC3)cc2)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;$|
65625 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCNCC3)c(c2)C(F)(F)F)n[nH]1
65626 CN(C)S(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2n[nH]c(N)n2)cc1Cl
65627 CC(C)CCOc1cccc(OCC(=O)Nc2ccncc2)c1
65628 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C[C@@H]3CCCN3)c(c2)C(F)(F)F)n[nH]1 |r|
65629 CCOC(=O)c1c(oc2ccc(OCC(O)CN(C)C)cc12)-c1ccccc1
65630 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|
65631 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCOCC3)c(c2)C(F)(F)F)n[nH]1
65632 Nc1nc(Nc2cc(Cl)c(-c3ccc(OCC4CNC4)cc3)c(c2)C(F)(F)F)n[nH]1
65633 CS(=O)(=O)NCCc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
65634 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)n[nH]1 |r,$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
65635 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)CC3CCNCC3)c(c2)C(F)(F)F)n[nH]1
65636 Nc1nc(Nc2cc(Cl)c(-c3cccc(OC4CCNCC4)c3)c(c2)C(F)(F)F)n[nH]1
65637 CS(=O)(=O)n1ccc2cc(ccc12)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65638 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)N2CCCC2=O)n[nH]1
65639 Brc1ccc(\C=C2\SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1
65640 CN1C(=O)C(C=NNC(=O)c2cc3ccccc3cc2O)c2ccccc12 |w:6.6|
65641 CS(=O)(=O)N1CCOc2ccc(cc12)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65642 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCS(=O)(=O)CC3)c(c2)C(F)(F)F)n[nH]1
65643 CS(=O)(=O)Nc1ccc(cc1F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;$|
65644 Nc1nc(Nc2cc(Cl)c(-c3ccc4OCC(=O)Nc4c3)c(c2)C(F)(F)F)n[nH]1
65645 Oc1ccc2nc(ccc2c1C=O)-c1cccc(c1)C(=O)N1CCCC1
65646 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2)n[nH]1
65647 NCCCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65648 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(N)cc2)n[nH]1
65649 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCC[C@H]3C(O)=O)c(c2)C(F)(F)F)n[nH]1 |r|
65650 Cc1ccc(cc1)S(=O)(=O)CCC(=O)Nc1nc(cs1)-c1ccncc1
65651 CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1
65652 CC1(C)CS(=O)(=O)c2cc(ccc2O1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65653 CCCCC(=O)Nc1ccc(cc1)-c1ccc(Nc2n[nH]c(N)n2)cc1 |$;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
65654 Nc1nc(Nc2ccc(cc2)-c2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)n[nH]1 |r,$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
65655 [O-][N+](=O)c1cnc(NC(=O)CCS(=O)(=O)c2ccccc2)s1
65656 Nc1nc(Nc2ccc(cc2)-c2ccccc2)n[nH]1
65657 CC(C)(C)CCN1CCCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)C1
65658 CC(C)(C)CCN1CCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)CC1
65659 CC(C)(C)NCc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65660 CC(C)(C)OC(=O)N1CC(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65661 CC1(COC1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65662 CCOc1ccccc1C(=O)Nc1ccc2nc3CCCCCn3c(=O)c2c1
65663 CC(C)CCS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65664 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCC(F)(F)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
65665 Brc1ccccc1C(=O)NNC(=S)NC1CCCCC1
65666 COC(=O)c1cccc(c1)-c1nc2ccc(O)c(C=O)c2[nH]1
65667 CC1(O)CN(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65668 Oc1cc2ccccc2cc1C(=O)NN=Cc1ccncc1
65669 CC(=O)NC(CC(=O)NNC(=O)c1cc2ccccc2cc1O)c1ccccc1
65670 COc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccc1O
65671 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)CC3CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
65672 CC(C)CS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65673 CC1(O)CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65674 CCc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(Br)c1
65675 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CNC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
65676 CN1CCN(CC1)C(=O)CCc1c(C)oc2c(C=O)c(O)ccc2c1=O
65677 COc1ncc(cn1)-c1ccc(Cn2c(nc3ccc(OCc4ccc(C)cn4)cc23)[C@H]2CCCC[C@H]2C(O)=O)cc1 |r|
65678 Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4cccc(c4)-c4ccc(cc4)C(F)(F)F)c3c2)nc1 |r|
65679 CCC(CC)(Cc1nc2ccc(OCc3ccc(C)cn3)cc2n1Cc1cccc(c1)-c1cnc(OC)nc1)C(O)=O
65680 Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(O)=O)n(Cc4cccc(Br)c4)c3c2)nc1 |r|
65681 COc1cc2c(oc(C)c(CCC(=O)NCCN3CCOCC3)c2=O)c(C=O)c1O
65682 COc1cc2c(oc(C)c(CCC(=O)N3CCN(C)CC3)c2=O)c(C=O)c1O
65683 CC1(O)CCN(C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65684 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CC4(COC4)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
65685 CS(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65686 CC(C)S(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65687 CNS(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65688 COCC(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65689 CS(=O)(=O)c1cccc(c1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65690 CN(C)S(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65691 CS(=O)(=O)c1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1F |$;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65692 Nc1n[nH]c(Nc2cc(F)c(c(F)c2)-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
65693 Nc1n[nH]c(Nc2cc(F)c(-c3ccc(cc3)S(=O)(=O)N3CCOCC3)c(c2)C(F)(F)F)n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
65694 Nc1n[nH]c(Nc2cc(F)c(-c3ccc(cc3)C#N)c(c2)C(F)(F)F)n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
65695 CS(=O)(=O)c1cccc(c1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1F |$;;;;;;;;;;;;;;;HN;;;;;;;;;$|
65696 COc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
65697 COc1ccccc1NC(=O)NNC(=O)c1cc2ccccc2cc1O
65698 CNS(=O)(=O)c1cccc(c1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65699 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(NC(=O)C3CCOCC3)cc2)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$|
65700 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)[N+]([O-])=O)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;$|
65701 COCc1cc(=O)oc2c(C=O)c(O)cc(OC)c12
65702 CCOc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1
65703 COCCc1c(C)c2c(O)cc(O)c(C=O)c2oc1=O
65704 COCCc1c(C)c2c(OC)cc(O)c(C=O)c2oc1=O
65705 COCCc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O
65706 COc1cc(O)c(C=O)c2oc(=O)c(CC=C)c(C)c12
65707 CN(C)S(=O)(=O)c1cccc(c1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65708 COc1ccc(C)cc1NC(=O)NNC(=O)c1cc2ccccc2cc1O
65709 CN(C)C(=O)c1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65710 COc1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
65711 CCN(CC)c1ccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(O)c1 |w:10.10|
65712 Nc1n[nH]c(Nc2cc(F)c(c(F)c2)-c2ccc(cc2)C#N)n1 |$;;;;;HN;;;;;;;;;;;;;;;;;$|
65713 Nc1n[nH]c(Nc2cc(F)c(-c3ccc(cc3)S(=O)(=O)C(F)(F)F)c(c2)C(F)(F)F)n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$|
65714 Nc1n[nH]c(Nc2cc(F)c(-c3cccc(c3)C#N)c(c2)C(F)(F)F)n1 |$;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
65715 CS(=O)(=O)c1ccc(cc1)-c1ccc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
65716 COc1cc(O)c(C=O)c2oc(=O)c(C)c(CN3CCOCC3)c12
65717 COc1cc(O)c(C=O)c2oc(=O)c(C)c(CN(C)C)c12
65718 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccs1
65719 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OC(F)(F)F)cc2)n[nH]1
65720 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc(Cl)c2)n[nH]1
65721 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)C#N)n[nH]1
65722 CS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65723 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc3ccccc23)n[nH]1 |(-5.72,.27,;-4.95,-1.06,;-3.48,-1.54,;-3.48,-3.08,;-2.15,-3.85,;-.82,-3.08,;-.82,-1.54,;.52,-.77,;.52,.77,;1.85,-1.54,;1.85,-3.08,;3.19,-3.85,;.52,-3.85,;3.19,-.77,;4.52,-1.54,;5.85,-.77,;5.85,.77,;4.52,1.54,;4.52,3.08,;3.19,3.85,;1.85,3.08,;1.85,1.54,;3.19,.77,;-4.95,-3.56,;-5.85,-2.31,)|
65724 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(Cl)cc2)n[nH]1
65725 Oc1ccccc1C(=O)NNC(=O)c1cc(nc2ccccc12)-c1ccncc1
65726 Cc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65727 Oc1ccccc1C(=O)NNC(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
65728 C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
65729 CCCCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
65730 CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12
65731 CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
65732 COCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
65733 Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
65734 Cn1c2nc(SCCCc3ccccc3)n(CC=C)c2c(=O)[nH]c1=O
65735 CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
65736 C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
65737 CC(C)n1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
65738 COc1ccc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2C#N)cc1
65739 COc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1C#N
65740 CCCOc1ccc(cc1)-c1nc(Oc2ccccc2)c2ccccc2n1
65741 COc1cccc(c1)-c1nc(OC(C)C)c2ccccc2n1
65742 CC(C)Oc1nc(nc2ccccc12)-c1ccc(Cl)cc1
65743 COc1nc(nc2ccccc12)-c1ccccc1
65744 CCCOc1ccc(cc1)-c1nc(Oc2ccc(OC)cc2)c2ccccc2n1
65745 Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1
65746 COc1ccc(cc1)-c1nc(OC)c2ccccc2n1
65747 Clc1ccc(cc1)C(=O)Nc1ccc(Sc2ccccc2)c(c1)C#N
65748 COc1ccccc1N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1ccc2n(C)c(=O)oc2c1
65749 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)NCc1ccccc1
65750 Fc1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65751 Fc1cccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
65752 COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65753 COc1ccc(CCNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1OC
65754 Cc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65755 Fc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65756 Clc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65757 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)cc1
65758 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)NC(=O)c1ccccc1
65759 COc1ccccc1C(=O)NC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65760 COc1ccc(CNC(=O)C(C)OC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65761 CC(NC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1)c1ccc(F)cc1
65762 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1OC
65763 COc1ccccc1NC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65764 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccco1)N1CCc2ccccc2C1
65765 Clc1cccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
65766 CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65767 COc1ccc(CCNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65768 COc1ccccc1CCNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65769 Clc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65770 Cc1ccccc1CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65771 COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65772 CCOC(=O)CCc1c(C)c2cc(N(C)C(C)=O)c(O)c(C=O)c2oc1=O
65773 COc1ccc(CNC(=O)COC(=O)c2cccc3ccccc23)cc1
65774 COc1ccccc1CNC(=O)COC(=O)c1cccc2ccccc12
65775 COc1ccc(CNC(=O)COC(=O)c2cc(nc3ccccc23)-c2ccco2)c(OC)c1
65776 COc1ccccc1CNC(=O)c1cc(nc2ccccc12)-c1ccco1
65777 COc1ccc(CNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65778 COc1ccccc1COC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
65779 COc1ccccc1CNC(=O)CCOC(=O)c1cc(nc2ccccc12)-c1ccco1
65780 COc1ccc(CNC(=O)CCOC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65781 COc1ccccc1CNC(=O)CNC(=O)c1cc(nc2ccccc12)-c1ccco1
65782 COCCOCCc1c(C)c2c(OC)cc(O)c(C=O)c2oc1=O
65783 COc1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
65784 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
65785 CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
65786 O=C(NCCc1ccccc1)c1cc(nc2ccccc12)-c1ccco1
65787 COc1cccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
65788 COc1ccccc1CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
65789 Clc1cccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)c1
65790 O=C(NCCc1ccccn1)c1cc(nc2ccccc12)-c1ccco1
65791 O=C(NCCc1cccnc1)c1cc(nc2ccccc12)-c1ccco1
65792 O=C(NCCc1ccncc1)c1cc(nc2ccccc12)-c1ccco1
65793 O=C(NCCCc1ccccc1)c1cc(nc2ccccc12)-c1ccco1
65794 O=C(N1CCN(CC1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
65795 O=C(N1CCCC(C1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
65796 O=C(N1CCCCC1Cc1ccccc1)c1cc(nc2ccccc12)-c1ccco1
65797 O=C(NC1CCC(CC1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1 |(9.52,1,;8.18,1.77,;6.85,1,;6.85,-.54,;5.52,-1.31,;5.52,-2.85,;6.85,-3.62,;8.18,-2.85,;8.18,-1.31,;6.85,-5.16,;5.52,-5.93,;5.52,-7.47,;6.85,-8.24,;8.18,-7.47,;8.18,-5.93,;8.18,3.31,;6.85,4.08,;6.85,5.62,;8.18,6.39,;9.52,5.62,;10.9,6.44,;12.29,5.65,;12.29,4.05,;10.9,3.26,;9.52,4.08,;5.52,6.39,;4.11,5.76,;3.08,6.91,;3.85,8.24,;5.36,7.92,)|
65798 O=C(N1CCC(C1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
65799 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)C(F)(F)F)n[nH]1
65800 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc2OCOc2c1 |c:5,TLB:8:7:2:6.5,THB:11:13:2:6.5|
65801 CC(=O)Oc1cccc(c1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23|
65802 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(F)cc1 |c:5,TLB:8:7:2:6.5,THB:11:13:2:6.5|
65803 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1 |c:5,TLB:8:7:2:6.5,THB:11:13:2:6.5|
65804 [H]C12CCC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(OC(C)=O)cc1 |c:6,TLB:10:9:3.2:7.6,THB:13:8:3.2:7.6|
65805 CC12OC(C)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1 |c:5,TLB:11:13:2:6.5,THB:8:7:2:6.5|
65806 Cc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:22,TLB:8:10:16:19.20,THB:12:11:16:19.20|
65807 CCCOc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:23.22,THB:11:13:19:23.22|
65808 Cc1cccc(c1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:22,TLB:12:11:16:19.20,THB:8:10:16:19.20|
65809 COc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
65810 [H]C12OC([H])(C=C1)c1c(O)n(c(O)c21)-c1ccc(OC(C)=O)cc1 |c:5,TLB:11:13:2:6.5,THB:8:7:2:6.5|
65811 CCN(CC)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
65813 CC[C@](C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)Nc1ccc(Br)cc1
65814 CC[C@](C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
65815 CC[C@@](C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)NC1CCCCC1
65816 CC[C@@](C)(N(Cc1ccco1)C(=O)c1ccccn1)C(=O)Nc1ccc(Br)cc1
65817 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
65818 COc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
65819 Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
65820 C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1
65821 C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1
65822 Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
65823 Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
65824 COc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
65825 Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1
65826 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(Cl)c1
65827 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl
65828 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
65829 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCc1ccccc1
65830 CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
65831 Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
65832 O=C(CN(Cc1cccs1)C(=O)c1ccccn1)NC1CCCCC1
65833 O=C(CN(Cc1cccs1)C(=O)c1ccccn1)NC1CCCCCC1
65834 O=C(CN(Cc1cccs1)C(=O)c1cccnc1)NC1CCCCC1
65835 COC(=O)CN(Cc1cccs1)C(=O)c1cccnc1
65836 O=C(CN(Cc1cccs1)C(=O)c1cccnc1)NC1CCCCCC1
65837 COc1cc(ccc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
65838 Clc1c(sc2ccccc12)C(=O)Oc1ccccc1N1CCCCC1
65839 CN(C)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
65840 N1c2ccccc2Nc2nc3ccccc3nc12
65841 FC(F)(F)c1ccc2Sc3ccccc3Nc2c1
65842 Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
65843 COc1ccc2Nc3ccccc3Sc2c1
65844 CCOc1ccc(NC(=O)Nc2ccc(cc2)N(C)C(C)=O)cc1
65845 CN(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
65846 COc1ccc2Nc3ccccc3S(=O)(=O)c2c1
65847 O=S1(=O)c2ccccc2Nc2ccccc12
65848 CCN(CC)c1ccc(NC(=O)Nc2ccccc2)cc1
65849 CN(C(C)=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
65850 CN1c2ccccc2Sc2cc(N)ccc12
65851 CC(=O)N1c2ccccc2Sc2ccccc12
65852 O=S1c2ccccc2Nc2ccccc12
65853 CC(=O)N1c2ccccc2S(=O)(=O)c2ccccc12
65854 CCn1c(COc2ccccc2)nnc1SCc1ccc(cc1)C#N
65855 COc1ccc(Nc2ccnc3ccccc23)cc1
65856 CCn1c(Sc2ccc(N)cc2Cl)nc2ccccc12
65857 C(CNC1CCCC1)COc1ccc(OCc2ccccc2)cc1
65858 CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2)o1
65859 C(Cn1c(nc2ccccc12)C1CC1)c1ccccc1
65860 CSc1ccc(cc1)S(=O)(=O)NC(C)c1ccccc1
65861 CC(O)CNCCCOc1cccc(Oc2ccccc2)c1
65862 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)cc1Cl |w:4.3|
65863 Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
65864 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC1CCN(CCC)CC1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
65865 COc1ccc(CNC\C=C\c2ccccc2)cc1
65866 Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
65867 Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
65868 CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
65869 Cc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1
65870 COc1ccc(CNCc2cccc3ccccc23)cc1
65871 CC(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
65872 Cc1ccc(OCC(O)CNCc2ccc(F)cc2)cc1
65873 COc1ccc(CNCCc2ccc3OCOc3c2)cc1Br
65874 Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1
65875 FC(F)(F)Oc1cccc(NC(=O)c2ccc(Br)o2)c1
65876 CC1=NC(=O)NC(C1C(=O)OC1CCCCCCC1)c1cccc(O)c1 |t:1|
65877 Oc1c(Cl)cc(Cl)cc1C=Nc1nccs1 |w:10.11|
65878 O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccco1
65879 CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)scc1-c1ccc(C)o1
65880 CC(=O)SCC(=O)N=c1sc2cc(F)ccc2n1CC#C |w:7.6|
65881 Cc1cc(Cl)c(cc1OCC(=O)NC1CCCCC1)S(=O)(=O)N1CCN(CC1)c1ccccn1
65882 COC(=O)CSc1[nH]c2ccc(F)cc2c1[N+]([O-])=O
65883 CC(C)N1C(=O)C(=NNc2ccc(Cl)c(c2)C(O)=O)c2ccccc12 |w:7.7|
65884 Cc1oc2cc(c(O)c([N+]([O-])=O)c2c1C(=O)c1ccc(Cl)cc1)[N+]([O-])=O
65885 Cc1ccc(NC(=O)C2CC2c2ccccc2)c(c1)[N+]([O-])=O
65886 S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccnc1
65887 Clc1ccc(cc1Cl)C(=O)Nc1cccnc1
65888 Cc1nc(C)c(s1)-c1csc(Nc2ccccn2)n1
65889 Cc1ccc(NC(=O)NCC2CC2(Cl)Cl)cc1
65890 CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
65891 CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
65892 CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
65893 Cc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)s1
65894 CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
65895 CCSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1
65896 CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1
65897 Cc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
65898 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1
65899 CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
65900 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2F)s1
65901 CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2F)s1
65902 CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
65903 CCCCC1CCC(CC1)C(=O)NCC(N1CCOCC1)c1ccco1 |(3.08,-8.12,;4.41,-7.34,;4.41,-5.8,;5.75,-5.03,;5.75,-3.49,;7.08,-2.72,;7.08,-1.18,;5.75,-.41,;4.41,-1.18,;4.41,-2.72,;5.75,1.13,;4.41,1.9,;7.08,1.9,;7.08,3.44,;8.41,4.21,;9.75,3.44,;11.08,4.21,;12.42,3.44,;12.42,1.9,;11.08,1.13,;9.75,1.9,;8.41,5.75,;9.66,6.65,;9.18,8.12,;7.64,8.12,;7.17,6.65,)|
65904 CCOc1ccccc1NC(=O)NC(C)c1ccc2OCOc2c1
65905 CC(C)(C)c1ccc(OCCC(=O)NCC(N2CCOCC2)c2cccs2)cc1
65906 OC(=O)c1cc(Cl)ccc1Nc1nc2cc(Cl)ccc2o1
65907 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3)c3ccccc23)no1
65908 COc1cccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc2cc(C)on2)c1
65909 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3cn[nH]c3)c3ccccc23)no1
65910 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)nc3)c3ccccc23)no1
65911 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Cl)c3F)c3ccccc23)no1
65912 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccc(Cl)nc3)c3ccccc23)no1
65913 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3Cl)c3ccccc23)no1
65914 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)no1
65915 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccn(C)n3)c3ccccc23)no1
65916 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1
65917 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3cc(F)cc(F)c23)no1
65918 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3cn[nH]c3)c3cc(F)cc(F)c23)no1
65919 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cc[nH]n4)c3F)c3ccccc23)no1
65920 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(Br)ccc3F)c3ccccc23)no1
65921 Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(ccc3F)-c3cc[nH]n3)c3ccccc23)no1
65922 Clc1ccc(CNC(=O)Nc2ccccc2)c(Cl)c1
65923 Fc1cccc(NC(=O)Nc2cccnc2)c1
65924 COc1ccc(NC(=O)Nc2cccnc2)cc1
65925 Cc1ccc(NC(=O)Nc2cccnc2)cc1
65926 Clc1ccc(NC(=O)Nc2cccnc2)cc1
65927 O=C(Nc1ccccc1)Nc1cccnc1
65928 Clc1cccc(NC(=O)Nc2cccnc2)c1
65929 Fc1cccc(NC(=S)Nc2cccnc2)c1
65930 O=C(Nc1cccnc1)Nc1ccc2OCOc2c1
65931 Fc1ccc(NC(=O)Nc2cccnc2)cc1Cl
65932 CCCCc1ccc(NC(=S)Nc2cccnc2)cc1
65933 S=C(Nc1ccc(Nc2ccccc2)cc1)Nc1cccnc1
65934 Cc1ccc(NC(=O)Nc2cccnc2)cc1F
65935 Clc1cccc(NC(=S)Nc2cccnc2)c1
65936 CCC(C)c1ccc(NC(=S)Nc2cccnc2)cc1
65937 Cc1cccc(NC(=O)Nc2cccnc2)c1C
65938 CCCCc1ccc(NC(=O)Nc2cccnc2)cc1
65939 CCOc1ccc(NC(=O)Nc2cccnc2)cc1
65940 Cc1ccc(NC(=O)Nc2cccnc2)cc1C
65941 Cc1cc(C)cc(NC(=O)Nc2cccnc2)c1
65942 Cc1cccc(NC(=O)Nc2cccnc2)c1
65943 Fc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)cn1
65944 Clc1ccc(CNC(=O)Nc2ccc(Cl)nc2)c(Cl)c1
65945 Fc1cncc(NC(=O)NCc2ccc(Cl)cc2Cl)c1
65946 Fc1cccc(NC(=O)Nc2ccc(F)nc2)c1
65947 Fc1cccc(NC(=O)Nc2ccc(Cl)nc2)c1
65948 Cc1cc(NC(=O)Nc2cccc(F)c2)cnc1Br
65949 Fc1cccc(NC(=O)Nc2ccc(Br)nc2)c1
65950 Cc1cncc(NC(=O)Nc2cccc(F)c2)c1
65951 Fc1cccc(NC(=O)Nc2cncc(F)c2)c1
65952 O=C(N1c2ccccc2Sc2ccccc12)c1ccco1
65953 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)C=C)c2c1
65954 CC(=NNC(=O)c1ccc(O)cc1)c1ccc2Sc3ccccc3Nc2c1 |w:2.2|
65955 FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)\C=C\c3ccccc3)c2c1
65957 Cc1ccc2Nc3ccc4ccccc4c3Sc2c1
65958 N1c2ccccc2Sc2cc3ccccc3cc12
65959 COC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCCl)c2c1
65960 CCN1c2ccccc2S(=O)(=O)c2ccccc12
65961 OC(=O)COc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
65962 Oc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1 |w:6.6|
65963 CCOc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(C)cc3)n2)cc1OCC
65964 OC(=O)COc1ccc(NC(=O)c2ccco2)cc1
65965 OC(=O)COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
65966 NC1=NC(=O)C(S1)=Cc1ccc(OCC(O)=O)cc1 |w:7.8,t:1|
65967 OC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1cccs1
65968 CC(=NNC(=O)c1ccccc1)c1ccc(OCC(O)=O)cc1 |w:2.2|
65969 OC(=O)COc1ccc(Nc2ccccc2)cc1
65970 COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NN=Cc1ccc(OCC(O)=O)cc1
65971 OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)\C#N)c1
65972 OC(=O)c1cccc(NC(=O)C(=C\c2ccc(OCc3ccc(F)cc3)cc2)\C#N)c1
65973 COc1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)C(O)=O)ccc1OCc1ccc(C)cc1
65974 COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)ccc1OCc1ccc(Cl)cc1
65975 COc1cc(\C=C2\SC(=S)N(C2=O)c2cccc(c2)C(O)=O)cc(Cl)c1OCc1cccc(c1)C(O)=O
65976 Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1
65977 CCc1ccc(cc1)-c1ccc(C(O)=O)n1C=C
65978 CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1
65979 Cn1cnc(c1)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
65980 CCc1ccc(cc1)S(=O)(=O)Nc1ccc(Br)cn1
65981 CCCc1ccc(cc1)S(=O)(=O)N(C)S(=O)(=O)c1ccc(F)cc1
65982 O=C(COC(=O)c1cc(nc2ccccc12)-c1ccccc1)N1CCN(CC1)C(=O)c1ccco1
65983 Cc1nn2c(nnc2c2ccccc12)-c1ccncc1
65984 NC(Cc1ccc(Cl)cc1)=NOC(=O)c1ccccc1 |w:10.11|
65985 CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)N1CCOCC1
65986 Brc1cccc(c1)-c1cc(C(=O)OCC(=O)N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1
65987 CCOc1ccc(NN=C(C#N)C(N)=O)cc1 |w:8.7|
65988 CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12
65989 Clc1ccc(CC(=N)NOC(=O)c2cccs2)c(Cl)c1
65990 Clc1ccc(NC(=O)c2cccc(c2)N2C(=O)C=CC2=O)c(Cl)c1 |c:18|
65991 Clc1ccc(-[#7]-[#6](=O)-[#8]\[#7]=[#6]-2\[#6]-[#6]-[#6]-[#6]-2)cc1
65992 CCOC(=O)C(=C/c1cn(C)c2ccccc12)\[N+]([O-])=O
65993 CCOC(=O)COc1ccc2ccccc2c1\C=C\[N+]([O-])=O
65994 CC(C)(C)c1nnc(N=NCc2cc(Br)ccc2O)n(N)c1=O |w:8.7|
65995 COc1ccc(NN=C(C#N)C(N)=O)cc1 |w:7.6|
65996 [O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccccn2)c1 |w:10.9|
65997 C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1cccs1)-c1ccccc1 |w:7.8|
65998 CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
65999 CC(Oc1ccc(Cl)cc1)C(=O)NNC(=S)NC(=O)c1ccco1
66000 Oc1cc(Br)ccc1C(=O)\C=C\c1ccccn1
66001 C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:7.8|
66002 CN1CCN(CC1c1ccccc1)C(=O)c1cc(COc2c(F)cccc2F)on1
66003 Fc1ccc(CN2C(=O)NC(=O)\C(=C/c3cccs3)C2=O)cc1
66004 CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(CC)c1=O
66005 COc1cccc2cc(-c3nc4ccccc4o3)c(=O)oc12
66006 CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccs2)C1=O |w:16.17|
66007 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2Cl)n[nH]1 |(-5.72,1.42,;-4.95,.09,;-3.48,-.39,;-3.48,-1.93,;-2.15,-2.7,;-.82,-1.93,;-.82,-.39,;.52,.38,;.52,1.92,;1.85,-.39,;1.85,-1.93,;3.19,-2.7,;.52,-2.7,;3.19,.38,;4.52,-.39,;5.85,.38,;5.85,1.92,;4.52,2.69,;3.19,1.92,;1.85,2.7,;-4.95,-2.4,;-5.85,-1.16,)|
66008 Oc1ccc(Br)cc1C(=O)\C=C\c1ccccn1
66009 Cn1c(Cl)cnc1\C=C\C(=O)c1cc(Cl)ccc1O
66010 CNc1nc(N)c(c(Nc2cccc(F)c2)n1)[N+]([O-])=O
66011 Cc1ccc(\C=C2\C(=O)ON=C2c2ccccc2)o1 |c:10|
66012 [O-][N+](=O)c1ccc(Sc2ccc(cc2)N2C(=O)C=CC2=O)cc1 |c:18|
66013 COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cccs2)C1=O |w:15.16|
66014 Cn1ncc(c(Cl)c1=O)S(=O)(=O)Cc1ccccc1
66015 [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
66016 CSc1nnc2c3cc(F)ccc3n(C)c2n1
66017 Cc1cccc(C)c1NC(=O)C(Cl)C(=O)c1ccccc1
66018 Clc1ccc(cc1)-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)o1
66019 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1
66020 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
66021 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#6]-[#8])nn1
66022 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
66023 CCCCCCCCn1sccc1=O
66024 Clc1ccc2c(OC(=O)N3CCCCCC3)ccnc2c1
66025 CN1CCN(CC1)C=Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccco1)-c1ccccc1
66026 Cc1ccc(cc1)S(=O)(=O)N=C(Sc1ccccc1)c1ccccc1
66027 COc1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(c1)[N+]([O-])=O
66028 CCN(CC)C(=O)Oc1ccnc2cc(Cl)ccc12
66029 NC(Cc1ccc(Cl)cc1)=NOC(=O)c1cccc2ccccc12 |w:10.11|
66030 Cc1ccc(cc1)C(N)=NOC(=O)c1ccc(F)cc1 |w:9.10|
66031 NC(=NOC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 |w:2.2|
66032 NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 |w:2.2|
66033 O=[#6](-[#7]-c1ccccc1)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#6]-[#6]-1
66034 Cc1ccc(O)c(c1)N=Nc1nccs1 |w:8.8|
66035 Oc1c(I)cc(I)c2cccnc12
66036 FC(F)(F)S(=O)(=O)CCN(CCS(=O)(=O)C(F)(F)F)CC1CCCO1
66037 O=c1n2ncnc2sc1=Cc1cccc2ccccc12
66038 O=C(Nc1nc(cs1)-c1ccccn1)C1COc2ccccc2O1
66039 COc1cccc(c1)C(=O)Nc1nnc(o1)-c1ccc(Cl)cc1
66040 COc1ccccc1OCCCc1c(C)n[nH]c1C
66041 COc1ccc(cc1)C(C(C#N)C#N)c1c(C)[nH]n(C(N)=S)c1=O
66042 COc1cc(C=c2c(=C)[nH]n(CCC#N)c2=O)c(Br)cc1OC(C)C |w:5.4|
66043 COc1cccc(C=CC(=O)c2c(O)cc(C)oc2=O)c1O |w:7.6|
66044 [H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccc(OC(C)=O)cc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7|
66045 CCCCCCCCCC(N=O)c1ccccn1
66046 Cc1ccc(CN=Nc2ncc(Cl)cc2Cl)s1 |w:7.7|
66047 Cc1ccsc1CN=Nc1ncc(Cl)cc1Cl |w:8.9|
66048 CCOC(=O)CSC1=NC(=O)\C(S1)=C/c1ccc(Cl)cc1 |t:7|
66049 [O-][N+](=O)c1cc(cc(c1Oc1ccc2c3CCCCc3c(=O)oc2c1)[N+]([O-])=O)C(F)(F)F
66050 COC(=O)C(=C\c1c[nH]c2ccccc12)\[N+]([O-])=O
66051 Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|
66052 COc1cccc(CN=Nc2ncc(cc2Cl)C(F)(F)F)c1O |w:9.9|
66053 Cc1cccc(c1)N=Nc1ccc(O)c2ncccc12 |w:7.7|
66054 Clc1cccc(CN2COc3c(C2)cc(Cl)c2cccnc32)c1
66055 COc1ccc(C=CC(=O)c2c(O)cc(C)oc2=O)cc1O |w:7.7|
66056 [O-][N+](=O)c1cc(\C=C\C(=O)c2cccnc2)ccc1Cl
66057 COc1ccc(cc1)C(=O)NNC(=S)NC(=O)\C=C\c1cccs1
66058 Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(F)cc2)s1 |w:5.4|
66059 Fc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cnccn1
66060 COc1ccc(cc1)C1=CC(=O)N(Nc2ccccc2)C1=O |t:9|
66061 N=C1S\C(=C/c2ccco2)C(=O)N1c1nccs1
66062 Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1F |(3.56,1.65,;5.09,1.81,;6.12,.66,;7.53,1.29,;8.87,.52,;10.2,1.29,;8.87,-1.02,;10.2,-1.79,;10.2,-3.33,;8.87,-4.1,;11.53,-4.1,;12.87,-3.33,;14.2,-4.1,;14.2,-5.64,;12.87,-6.41,;11.53,-5.64,;10.2,-6.41,;7.37,2.82,;8.52,3.85,;5.86,3.14,;5.24,4.55,;3.71,4.71,;3.08,6.12,;3.99,7.36,;5.52,7.2,;6.14,5.8,;7.67,5.63,)|
66063 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1
66064 [O-][N+](=O)c1ccc(cc1)\[NH+]=N\[c-]1c(Cl)cc(=O)cc1Cl
66065 Oc1c(cc(F)c2cccnc12)[N+]([O-])=O
66066 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
66067 Oc1ccc2[C@H](c3c(O)c4ccccc4oc3=O)c3c(Oc2c1)c1ccccc1oc3=O
66068 [#6]-[#7]1-[c+]2cccccc2-[#16]C11[#6](=[#6]\[#6](-[#6]=[#6]1-[#7+](-[#8-])=O)=[#7+](\[#8-])-[#8-])-[#7+](-[#8-])=O |c:13,16|
66069 Fc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cnccn2)cc1
66070 O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
66071 Cc1nc(c(s1)C(=O)Sc1ccc(Cl)cc1)C(F)(F)F
66072 CC(=NNC(=O)c1ccc(cc1)C(C)(C)C)c1ccccn1 |w:2.2|
66073 COc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2ccccc12
66074 Cc1ccc(cc1)C(=O)Sc1cccccc1=O
66075 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccccc1[N+]([O-])=O
66076 COc1ccc(\C=C2/C(=O)ON=C2c2ccccc2)cc1 |c:11|
66077 Cc1cc(O)c(C(=O)C=Cc2ccc(Cl)cc2)c(=O)o1 |w:8.7|
66078 CC(C)Oc1ccc(cc1)C(=O)\C=C1\C(=O)Nc2ccccc12
66079 Oc1c2Oc2c(O)c2ccccc12
66080 Nc1ccccc1C#CC(=O)c1ccccc1
66081 Cc1ccc(\C=C2\SC(=S)N(C3CCCCC3)C2=O)o1
66082 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
66083 Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccc(Br)cc2)c1=O
66084 Cc1cc(ccc1F)S(=O)(=O)ON1C(=O)c2ccccc2C1=O
66085 CC(Oc1cccc(Cl)c1)C(=O)Nc1nc(cs1)-c1ccccn1
66086 Clc1cccc(OCC(=O)Nc2nc(cs2)-c2ccccn2)c1
66087 Cc1cc(C2CCCCC2)n(O)c(=O)c1
66088 CCc1cc(sc1C)C(=O)Nc1nc(cs1)-c1ccccn1
66089 Cc1c(oc2ccccc12)C(=O)Nc1nc(cs1)-c1ccccn1
66090 CCc1sc(cc1C)C(=O)Nc1nc(cs1)-c1ccccn1
66091 CC(=O)c1ccc2Sc3ccccc3N(C(=O)Nc3ccccc3)c2c1
66092 ClCCN1c2ccccc2Sc2ccc(Cl)cc12
66093 Fc1cccc(F)c1NC(=O)N1c2ccccc2Sc2ccccc12
66094 O=C(c1ccccc1)c1ccccc1N1c2ccccc2Sc2ccccc12
66095 CN1c2ccc(Br)cc2Sc2cc(Br)ccc12
66096 CN1c2ccccc2Sc2cc(Br)ccc12
66097 C[n+]1c2ccc(cc2sc2c\c(ccc12)=N\N=[N-])N=[N+]=[N-]
66098 C[n+]1c2ccccc2sc2c\c(ccc12)=N\N=[N-]
66099 CN1c2ccccc2Sc2cc(NC(=O)c3ccc(cc3)N=[N+]=[N-])ccc12
66100 CN1c2ccccc2Sc2cc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)ccc12
66101 CN1c2ccccc2Sc2cc(NC(=O)CCl)ccc12
66102 CN1c2ccccc2Sc2cc(NC(=O)C=C)ccc12
66103 CC(=O)N(c1sc(=O)n(c1O)-c1ccccc1)c1cccc(C)c1
66104 CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
66105 CC(N=O)c1ccc2c3CCCCc3[nH]c2c1
66106 CCN(CC)c1ccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc2c1
66107 CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1
66108 COc1ccc(cc1)-c1occ(C(O)=O)c1C(O)=O
66109 CC(C)C(CCN1C(=O)c2ccccc2C1=O)c1ccco1
66110 COc1ccc2c(Cl)c(sc2c1Cl)C(=O)NCCCn1ccnc1
66111 Cc1nn(c(Cl)c1\C=C(/CC(O)=O)c1nc2ccccc2s1)-c1ccccc1
66112 COc1ccc(\C=C2\SC(=NC2=O)c2ccc(C)cc2)cc1OC |c:9|
66113 Oc1c2C(C=CC(c2c(O)n1-c1ccncc1)c1ccccc1)c1ccccc1 |c:4|
66114 Oc1c2C(C=CC(c2c(O)n1-c1ccccn1)c1ccccc1)c1ccccc1 |c:4|
66115 N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|
66116 N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:11,14|
66117 CN1\C(=C/C=C2\C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc12
66118 N=C1N2C=CSC2=NC(=O)\C1=C\c1coc2ccccc2c1=O |c:3,7|
66119 [#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12
66120 OC(=O)c1ccccc1-c1ccc(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)o1 |w:13.13|
66121 CN(C)\C=C1/C=C2N(C1=O)c1ccccc1C2=O |c:5|
66122 OP(O)(=O)c1cc(oc1-c1ccccc1)-c1ccccc1
66123 Nc1ccc2ccc3cccc[n+]3c2c1
66124 CN(\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O)c1ccccc1
66125 Cc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
66126 [O-][N+](=O)c1ccc(N2CCCCCC2)c2nonc12
66127 COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(OC)c1O
66128 CNc1ccc2C(=O)N(C)C(=O)c3cccc1c23
66129 Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
66130 CC(=O)Nc1ccc(cc1)N1C(=O)c2cccc3c(O)ccc(C1=O)c23
66131 CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
66132 CC(C)(C)c1ccc(cc1)-c1c(C(O)=O)c(C(O)=O)c2CSCn12
66133 CN(C)c1ccc(C=NN(C)C2=NS(=O)(=O)c3ccccc23)cc1 |t:11|
66134 CN(C)c1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)cc1 |t:13|
66135 Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
66136 Nc1ccc(cc1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12
66137 Oc1c(Cl)cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1Cl
66138 COC(=O)c1sccc1NC(=O)c1ccc(cc1)C#N
66139 CCOc1cc2CC(C)Oc2cc1\C=C\c1noc(C)c1[N+]([O-])=O
66140 COc1ccccc1-c1csc(n1)-n1ncc(C#N)c1N
66141 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
66142 COc1ccc(cc1)C(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 |w:10.11|
66143 CCOc1ccc(cc1)-c1cc(C(=O)NCCCn2ccnc2)c2cc(Br)ccc2n1
66144 Fc1ccc(cc1)N1N\C(S\C1=C1\C(=O)C=Cc2ccccc12)=[NH+]\c1ccccc1 |c:17|
66145 FC(F)(F)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
66146 COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OCC(=O)NCCCn3ccnc3)ccc12
66147 CCn1c2nc(C)n(CC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2sc1=S
66148 COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(C)=NNC(=O)c1ccncc1 |w:19.21|
66149 CCN(CC)c1ccc2cc(C(=O)NCc3ccc(F)cc3)c(=N)oc2c1
66150 Clc1ccc(\C=C2/SC(=S)N(CCC(=O)NCCCn3ccnc3)C2=O)cc1
66151 CCOc1ccc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)cc1OC
66152 CCCCC(Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(O)=O
66153 Brc1cc(Br)c2ncnc(N3CCCCC3)c2c1
66154 CCN(CC)CCN1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccnc1
66155 CCc1c([nH]c2ccc(Br)cc12)C(O)=O
66156 O=C(C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1)c1cc2ccccc2o1
66157 COc1cccc2cc(oc12)C(=O)C1C(N(CCN2CCOCC2)C(=O)C1=O)c1cccs1
66158 COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@]12O
66159 O=C(C1C(N(Cc2ccco2)C(=O)C1=O)c1cccnc1)c1cc2ccccc2o1
66160 Cc1cccc(NC(=O)CSc2ncnc3c4ccccc4oc23)c1
66161 COCCCN1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1cccc(Br)c1
66162 COC(=O)CCCCC1SCC2NC(=O)NC12O
66163 Clc1ccc(C#N)c(NC(=O)COC(=O)c2ccc3OCCOc3c2)c1
66164 CC1(C)Cc2nc3sc4c(ncn(CC(=O)NC(c5ccccc5)c5ccccc5)c4=O)c3cc2CO1
66165 COc1ccc(cc1)C(=O)NNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1
66166 CCNC(=S)Nc1nc2CCCCc2cc1C(=O)OCC
66167 Cc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
66168 Cc1ccc(cc1C)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
66169 O=c1n(-c2ccccc2)c(=S)[nH]c2c3ccccc3oc12
66170 COc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
66171 CC(C)Cc1c2CCCCc2[nH]c(=S)c1C#N
66172 [O-]C(=O)c1cc(nc2ccc(Br)cc12)-c1ccco1
66173 Cc1cccc(C)c1NC(=O)COc1ccccc1C(=O)Nc1ccc(Br)cn1
66174 CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
66175 CC1NC(=O)NC1CCCCCC(=O)Nc1c(C)cccc1C
66176 [O-]C(=O)c1cc(nc2ccc(Br)cc12)-c1cccnc1
66177 OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccc2OCOc2c1
66178 Fc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
66179 CCCCOc1ccc(cc1)-c1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
66180 CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCCc12
66181 CCN(CC(=O)NC(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
66182 CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
66183 COc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1
66184 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
66185 CC(C)C1Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
66186 CCC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
66187 CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c12
66188 Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(O)=O
66189 Cc1ccccc1CNc1ncnc2cc(Cl)ccc12
66190 Nc1nc(C(C#N)C#N)c(C#N)c(-c2ccccc2)c1C#N
66191 OC(=O)C1CCN(CC1)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
66192 OC(=O)c1cc(nc2ccc(Br)cc12)-c1cccs1
66193 COc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
66194 Clc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CC2CCCO2)c(Cl)c1
66195 COc1cccc(CNC(=O)CCCn2c(=S)[nH]c3cc4OCOc4cc3c2=O)c1
66196 Cc1ccc(o1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(Br)cc1
66197 COc1cccc(c1)C1C(C(=O)c2ccc3OCOc3c2)C(=O)C(=O)N1CCN1CCOCC1
66198 Fc1cccc(c1)C1C(C(=O)c2ccc3OCOc3c2)C(=O)C(=O)N1Cc1cccnc1
66199 Clc1cccc(c1)C1C(C(=O)c2ccc3OCOc3c2)C(=O)C(=O)N1CCN1CCOCC1
66200 Cc1ccc(o1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccc(Cl)c(Cl)c1
66201 Cc1onc(c1C(=O)Nc1nnc(s1)C(F)(F)F)-c1c(F)cccc1Cl |(11.89,2.65,;12.05,1.12,;13.38,.35,;13.06,-1.16,;11.53,-1.32,;10.9,.09,;9.4,.41,;8.36,-.73,;8.92,1.88,;7.41,2.2,;6.27,1.16,;4.93,1.93,;5.26,3.44,;6.79,3.6,;4.22,4.59,;3.19,5.73,;3.08,3.56,;5.37,5.62,;10.76,-2.65,;12.09,-3.42,;13.43,-2.65,;12.09,-4.96,;10.76,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.65,)|
66202 COc1cc(cc(OC)c1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
66203 Fc1cccc(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
66204 Fc1ccc(cc1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
66205 Clc1ccc(cc1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
66206 Cc1ccc(cc1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
66207 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(Br)cc1
66208 Clc1ccc(cc1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCCN1CCOCC1
66209 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(Cl)c1
66210 CCCOc1cccc(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
66211 Brc1cccc(c1)C1C(C(=O)c2ccc3OCOc3c2)C(=O)C(=O)N1Cc1cccnc1
66212 COc1cccc2cc(oc12)C(=O)C1C(N(C(=O)C1=O)c1cc(C)on1)c1cccs1
66213 Brc1cccc(c1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1CCN1CCOCC1
66214 COc1ccccc1C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
66215 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(Cl)cc1
66216 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1cccc(Br)c1
66217 COC(=O)c1ccc(cc1)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
66218 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1CCCn1ccnc1
66219 O=c1cc(OCc2ccccc2)cc[nH]1
66220 COc1cccc(CNC(=O)COC(=O)C(=C\c2ccc(cc2)N(C)C)\C#N)c1
66221 CCOc1ncccc1C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OC)cc1
66222 COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(C)cc1C)c1ccco1
66223 O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1)c1cccs1
66224 COc1ccc(OC)c(c1)C1C(C(C)=O)C(=O)C(=O)N1Cc1cccnc1
66225 CN(C)Cc1ccc(O)c(CCc2ccccc2)n1
66226 Nc1nc(CSc2nc3ccccc3[nH]2)nc(n1)N1CCOCC1
66227 Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccccc1
66228 CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(cc2c1)C#N
66229 Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1
66230 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccncc1
66231 O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)c1ncccn1
66232 CC1Cc2ccccc2N1C(=O)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
66233 Fc1ccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1
66234 COc1ccc(cc1)N1CCN(CC1)C(=O)CCn1nnc2ccccc12
66235 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CSc1nc(O)cc(=O)n1CC=C |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|
66236 CCC(N1CCCC1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O |w:8.21|
66237 CCCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=N
66238 N#C\[#7]=[#6]-1/[#16]-[#6]-[#6]-[#16]-1
66239 COc1ccccc1C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
66240 COC(=O)c1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2)cc1
66241 Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1
66242 CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCN(C)CC1
66243 Cc1nc2sc(C(O)=O)c(N)c2c2CC(C)(C)OCc12
66244 CCN(CC)CCCN=C(C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:8.7|
66245 CCN(CC)CCCN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O |w:8.7|
66246 Cn1nc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c2ccccc2c1=O
66247 CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl
66248 CC(O)[C@H](NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C(O)=O
66249 O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc2C1
66250 O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12
66251 Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)OCCNC(=O)c1ccncc1
66252 Cc1ccc(cc1)S(=O)(=O)NCC(=O)OC1CCOC1=O
66253 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1
66254 COc1ccc(CC(=O)Nc2ccc3CCCc3c2)cc1S(=O)(=O)N1CCOCC1
66255 CN1CCN(CC1)c1nccc2n(C)cnc12
66256 Oc1ccc(Br)cc1C(=O)c1cc(C#N)c(=O)n(c1)C1CC1
66257 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc(sc2c1)N1CCC(C)CC1
66258 CSc1ccccc1NC(=O)CCn1c2ccccc2sc1=O
66259 CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1
66260 COCC(=O)NC(C)c1nc2ccccc2[nH]1
66261 CC1=Nc2nc(nn2C(C1C(N)=O)c1ccc2OCOc2c1)-c1cccc(C)c1 |t:1|
66262 Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(O)=O
66263 COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl
66264 CC1CC(C)CN(C1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
66265 O=C(Cc1ccc(cc1)-n1cccc1)NC1CCCCC1
66266 CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC
66267 O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCN(CC1)C(=O)c1ccco1
66268 CC1CCN(CCCNC(=O)c2cn(C)c3ccc(cc3c2=O)S(=O)(=O)N2CCCC2)CC1
66269 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1cccc(OC)c1
66270 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
66271 CC(=O)Nc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1
66272 CN(C(=O)CCS(=O)(=O)c1cccc2nonc12)c1cccc(C)c1
66273 Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1
66274 CCOc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccc(C)cc1
66275 CN(c1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F)S(C)(=O)=O
66276 CCC(=O)c1ccc(N2CCN(CC2)C(=O)Cc2ccccc2)c(F)c1
66277 COc1oc(nc1C(F)(F)F)-c1ccccc1
66278 COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O
66279 COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12
66280 Cc1cc(-n2c(O)ccc2O)n(n1)-c1ccccc1 |(3.08,4.12,;3.99,2.87,;5.53,2.87,;6,1.41,;7.47,.93,;7.94,-.53,;7.04,-1.78,;9.48,-.53,;9.96,.93,;8.71,1.84,;8.71,3.38,;4.76,.5,;3.51,1.41,;4.76,-1.04,;3.42,-1.81,;3.42,-3.35,;4.76,-4.12,;6.09,-3.35,;6.09,-1.81,)|
66281 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccco1
66282 CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1
66283 Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1
66284 CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
66285 COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
66286 Cc1cc(C2C(C#N)C(=N)SC(=N)C2C#N)c(C)s1
66287 COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
66288 COc1ccc(cc1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
66289 CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC
66290 Clc1ccc2nc(cc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2c1)-c1ccccn1
66291 Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)c(C)c1C
66292 COCc1cc(C)nc(SCC(=O)Nc2ccc3OCOc3c2)c1C#N
66293 OC(COc1ccc2ccccc2c1Br)Cn1ccnc1
66294 CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1
66295 CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl
66296 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cl)cn1
66297 CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
66298 CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
66299 Fc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(Br)c1
66300 COCCCN(C(C)c1ccncc1)C(=O)Nc1ccccc1
66301 O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(CC1)C1CCCCC1
66302 [H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-3=O)-c1ccc3-[#8]-[#6]-[#8]-c3c1)\[#6]2=[#6](/[#6])-[#6] |c:2,TLB:8:7:22:2.3,THB:11:6:22:2.3|
66303 COc1ccc(cc1)C1(CCOCC1)C(=O)NCCCN(C)C
66304 COc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
66305 COc1cc(NC(=O)Nc2ccccc2)c(cc1OC)C(O)=O
66306 CCCc1nc2sc3CCCc3c2c(=O)n1N
66307 Oc1ccc(O)n1-c1cccc(OC(=O)Cc2ccccc2)c1
66308 Cc1ccc(cc1)S(=O)(=O)NCCN1CCOCC1
66309 Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
66310 COC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1
66311 COc1ccccc1N1CCN(CC1)C(c1nnnn1CCc1ccccc1)c1ccccc1
66312 COc1ccc2nc(SCC(=O)N3CCN(CC3)c3ccc(F)cc3)c(cc2c1)C#N
66313 CCOc1nc(NCCO)nc(NCCC2=CCCCC2)n1 |t:15|
66314 CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1OC
66315 COc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(C)=O)cc1
66316 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCCC1
66317 Fc1cccc(c1)-c1nc2cc(NC(=O)c3ccccc3F)ccc2o1
66318 C(Nc1nnc[nH]1)c1ccc(NCc2cccc3ccccc23)cc1
66319 CCOc1ccc(cc1)N1C(=O)CNC1=Nc1ccccc1F |w:15.17|
66320 Fc1ccc(Cn2c(cc3sccc23)C(=O)N2CCCc3ccccc23)cc1
66321 Fc1cccc(C(=O)N2CCCC2)c1F
66322 Cc1c(O)c(=O)ccn1Cc1ccccc1
66323 COc1cccc(c1)-c1cc(O)c2cc(NC(=O)c3ccc(cc3)N(C)C)ccc2n1
66324 FC(F)(F)c1cnc(CONC(=O)NC=NOCc2ccc(Cl)cc2Cl)c(Cl)c1 |w:15.15|
66325 FC(F)(F)c1cc(nc(SCC(=O)Nc2sc3CCCc3c2C#N)c1C#N)-c1ccccc1
66326 CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F
66327 OCCC1Oc2cccnc2NC1=O
66328 CN(C)CC#CCCCCCCC#CCN(C)C
66329 Clc1ccccc1\C=C(/N1C=CC=CC1=C(C#N)C#N)C(=O)c1ccccc1 |c:11,13|
66330 O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1CCCO1
66331 O=C(NCc1ccccc1)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1
66332 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)NCc1ccccc1
66333 Cc1ccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)cc1
66334 CC(C)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1
66335 Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2ccc(F)cc2)n1CC=C)C(F)(F)F
66336 OC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12
66337 Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O
66338 COc1ccc(CN2CCCCC2C)cc1C
66339 Cn1c2ccccc2sc1=NC(=O)CCl |w:10.12|
66340 COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
66341 COc1ccc(cc1Br)C(=O)NCc1cccnc1
66342 Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1
66343 Cc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1 |t:9|
66344 COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1cc(C)ccc1C |c:12,t:9|
66345 CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1
66346 CC(C)(C)C1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1
66347 COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1
66348 Clc1ccc(C(=O)Oc2cccc(C=O)c2)c(Cl)c1
66349 Cc1ccc(cc1)-c1noc(CSc2nnc(CCc3ccccc3)n2-c2ccccc2)n1
66350 Cc1cc(C)cc(COn2ccnc2)c1
66351 [O-][N+](=O)c1cc(ccc1S(=O)CC(=O)Oc1ccccc1)C(F)(F)F
66352 CCOc1cc(C=NN=C(N)c2nonc2N)cc(Br)c1OCc1cccc2ccccc12 |w:7.7,9.9|
66353 CCOC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1-c1ccccc1
66354 CCCOc1ccc(cc1)-n1c(O)c2ON(C(CCC)c2c1O)c1ccccc1
66355 CCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C
66356 CCC(C)[C@@H](C(=O)NCC1CCC(CC1)C(O)=O)n1nnc2ccccc2c1=O |wU:4.18,(13.24,-3.49,;13.24,-1.95,;14.58,-1.18,;15.91,-1.95,;14.58,.36,;13.24,1.13,;13.24,2.67,;11.91,.36,;10.58,1.13,;9.24,.36,;7.91,1.13,;6.57,.36,;6.57,-1.18,;7.91,-1.95,;9.24,-1.18,;5.24,-1.95,;3.91,-1.18,;5.24,-3.49,;15.91,1.13,;15.91,2.67,;17.24,3.44,;18.58,2.67,;19.95,3.49,;21.35,2.7,;21.35,1.1,;19.95,.31,;18.58,1.13,;17.24,.36,;17.24,-1.18,)|
66357 CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C#N)c1C
66358 O=C(Nc1ccccc1)C1CC(=O)OC11CCCCC1
66359 O=C(Nc1nc2CN(Cc3ccccc3)CCc2s1)C(=C\c1ccc(OCc2ccccc2)cc1)\C#N
66360 Cc1cc(C)cc(c1)C(=O)N1CC(=O)Nc2ccccc12
66361 COc1ccc(cc1)C1Nc2ccc3ccccc3c2-c2c1c(=O)oc1ccccc21
66362 COc1ccc(cc1)N1C(C(CCC1=O)C(O)=O)c1ccc(OC)c(OC)c1
66363 OC1(CC(=NN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(F)F)C(F)F |c:3|
66364 Cc1cccc(NC(=O)CSc2nc(C)c(CC(=O)c3ccc(Br)cc3)c(C)c2C#N)c1C
66365 CC1CCc2c(C1)sc(NC(=O)CNS(=O)(=O)c1cc(C)ccc1C)c2C(N)=O
66366 CCOC(=O)c1c(C)nc2sc(C(=O)Nc3ccc(cc3)C(C)=O)c(N)c2c1-c1ccc(OC)cc1
66367 Fc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1
66368 CC(C)OC(=O)CN1C(=O)S\C(=C\c2ccc(o2)N2CCCCC2)C1=O
66369 Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc(c(Cl)c1C)[N+]([O-])=O
66370 COc1cc(cc(OC)c1OC)-c1cc(nc(SCC(=O)Nc2nccs2)c1C#N)-c1ccccc1
66371 Cc1nn(c(C)c1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1 |w:8.9|
66372 CCCc1ccc(OCc2ccc(o2)C(=O)N\N=C\c2cccc(c2)[N+]([O-])=O)c(OC)c1
66373 Fc1ccc(C=CC(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 |w:6.6|
66374 CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
66375 CCC(NC(=O)c1cccc(Cn2cc(cn2)[N+]([O-])=O)c1)c1ccc(cc1)C(C)C
66376 CC1=NN(C(=O)\C1=C\NC12CN3CN(CN(C3)C1)C2)c1cccc(Cl)c1 |t:1,TLB:18:9:16:13.12.14,THB:8:9:11.12.16:14,8:9:16:13.12.14,10:11:9.17.18:14,10:9:11.12.16:14|
66377 CSc1nnc(-c2cc3c(nn(C)c3s2)-c2ccccc2)n1C
66378 OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(F)(F)F
66379 CC(Oc1ccc(cc1)-c1nccc(n1)-c1ccccn1)C(=O)NN
66380 Cc1cccc(C)c1NC(=O)CSc1nc(C)c(CC(=O)c2ccc(Br)cc2)c(C)c1C#N
66381 CCc1nn(c(N)c1C#N)-c1cc(Oc2cccc3ccccc23)nc(n1)-c1ccccc1
66382 CCN(C(=O)c1ccc2c(OCC=C)n(C)nc2c1)c1ccc(OC)cc1
66383 N#C\C(=C/c1ccc(o1)N1CCOCC1)c1ccccc1
66384 O=C1C(Cc2ccccc2)S\C(=N/c2ccccc2)N1c1ccccc1
66385 CCc1nnc(NC(=O)CSc2nc(cc(-c3ccc(F)cc3)c2C#N)-c2ccccc2)s1
66386 Cc1ccc(NC(=O)c2ccc(N=NCc3cccc(O)c3)c(c2)[N+]([O-])=O)cc1 |w:12.11|
66387 COc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1
66388 CONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
66389 Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1csc(Nc2ccccc2C)n1
66390 COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O
66391 Cc1cccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)c1
66392 Cc1ccc(cc1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1ccc(C)cc1
66393 COc1ccc(cc1OC)C(=O)Sc1ccc(Cl)cc1
66394 CC(=O)N1CCN(CC1)C(=S)c1ccc(cc1)[N+]([O-])=O
66395 S=C(NCCc1ccccc1)NC1CCCCCC1
66396 CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)c(c1)[N+]([O-])=O |w:14.14|
66397 CCN(CC)C(=S)SCC(=O)Nc1ccc(F)cc1
66398 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C
66399 OC(=O)c1cccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)c1
66400 COc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1 |w:14.13|
66401 COc1cc(\C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F
66402 COc1ccccc1CC(=[NH2+])[N-]OC(=O)c1cccc(c1)[N+]([O-])=O
66403 CCOC(=O)C1=C(C)N(C)C(=O)C1CC(O)=O |c:5|
66404 CCCCc1ccc(cc1)-c1csc(n1)C(=C/c1ccc(C)o1)\C#N
66405 Cc1ccc(NC(=O)c2ccc(NCC3CCCO3)c(c2)[N+]([O-])=O)cc1Cl
66406 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C
66407 Brc1ccc(cc1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
66408 [O-][N+](=O)c1cc(ccc1NCCCNC(=O)c1ccc(F)cc1)C(F)(F)F
66409 Brc1cccc(c1)-[#6](=O)-[#7]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
66410 CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
66411 COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OC(=O)c3cccs3)ccc12
66412 CCc1ccc(Oc2coc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3c2=O)cc1
66413 [O-][N+](=O)\C=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12
66414 CCOC(=O)c1cc(CC)sc1NC(=O)C1CC(=O)NN1Cc1ccccc1
66415 CC(C)OC(=O)c1c(NC(=O)\C=C\c2ccc(C)o2)sc(C)c1C
66416 CCCCOC(=O)c1ccc(o1)S(N)(=O)=O
66417 Cc1ccc(cc1)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12
66418 Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
66419 [H][C@]1(CC[C@]23C[C@]12CC[C@]1([H])[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@]2([H])C[C@@H](O[C@@H]2OC(COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@]31C)[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O
66420 [O-][N+](=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)nc1
66421 [O-][N+](=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCCCC2)cc1
66422 COc1ccc(CCNC(=O)CSc2nc(ccc2C#N)-c2ccc(OC)c(OC)c2)cc1
66423 CCSc1ccc(cc1)-c1nn(cc1\C=C(\C#N)C(=O)NC)-c1ccccc1
66424 Cc1cccc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
66425 CN(c1ccccc1)c1ccc(\C=C\[N+]([O-])=O)cc1
66426 Cc1cc(N2C(=O)C=CC2=O)c(cc1C)[N+]([O-])=O |c:7|
66427 Cn1cc(c(n1)C(=O)Nc1cc(Oc2ccccc2)cc(c1)[N+]([O-])=O)[N+]([O-])=O
66428 CC(C)CNC(=S)N(Cc1ccco1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
66429 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1[N+]([O-])=O
66430 [O-][N+](=O)c1ccc(CN2CCOCCOCCOCC2)cc1
66431 COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
66432 CCN1C(=S)O\C(C1=O)=C1\Sc2ccccc2N1CC
66433 COc1ccc(OC)c(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)c1
66434 COc1cccc(c1)C(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1
66435 Cc1c(cccc1C(O)=O)N1N(O)c2ccccc2NC1=O
66436 [H]C12CC([H])(C3C1Sc1[nH]c(=O)sc1C3c1ccccc1)C1C2C(=O)N(CC(O)=O)C1=O |TLB:7:6:21.22:2,23:22:5.6:2,THB:30:21:5.6:2,14:5:21.22:2|
66437 COc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c(OC)c1 |w:6.5|
66438 CCOC(=O)Cc1csc(N=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 |w:10.9|
66439 CC(C)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:9.9|
66440 CC1CCCN(C1)c1nc(Nc2cccc(C)c2)nc(N)c1[N+]([O-])=O
66441 [O-][N+](=O)c1ccc(cc1)C(=O)CSc1nc2ncc(Br)cc2[nH]1
66442 Cc1ccc(CSc2ncnc3n(ncc23)-c2ccccc2)cc1
66443 CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1
66444 COc1ccc2[nH]c3c([nH]c(=O)n(N=C[C@@H]4C(C)CC(C)=CC4C)c3=O)c2c1 |w:13.12,c:20|
66445 CC(=O)Nc1sc(N=NCc2cccc(Cl)c2)nc1-c1cccs1 |w:7.6|
66446 COC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1
66447 CCOc1cc2CC(=O)N(C(c3ccccc3)c2cc1OCC)c1ccccc1
66448 O=C(NCC1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccs1
66449 COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(F)cc3)c(=O)c2c1
66450 CCOC(=O)CSCC(=O)N1N=C(CC1c1ccc(F)cc1)c1cccs1 |c:11|
66451 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1-c1ccc(F)cc1
66452 CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O |t:12|
66453 CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cc(C)ccc1C
66454 COC(=O)c1ccc(Cl)cc1NC(=O)\C=C\c1ccc(C)o1
66455 CN(C)CCN(C(=O)\C=C\c1cccs1)c1nc2c(F)cc(F)cc2s1
66456 COc1cc2c(cc1NC(=O)COC(=O)\C=C\c1ccccc1)oc1ccccc21
66457 CCc1nc(NNC2=c3ccccc3=NC2=O)c2c3CCCc3sc2n1 |c:7,14|
66458 CCCCNC(=S)NN=Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 |w:8.7|
66459 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2COc3ccccc3-c2s1
66460 Cc1cccc(NC(=O)CCC(=O)NN=Cc2ccco2)c1C
66461 CN(Cc1ccc(cc1)C(=O)NN=Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(C)cc1
66462 COC(=O)CSc1nc(N)c2c3CC(SC(c3sc2n1)c1ccccc1)c1ccccc1
66463 COc1ccc(cc1)-c1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)sc1C
66464 Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(Nc1cccc(C)c1)c1ccccc21
66465 [O-][N+](=O)c1ccc(N2CCCC2)c(F)c1Br
66466 Cc1ccc(cc1)C(=O)\C=C/C(=O)c1ccc(C)cc1
66467 [O-][N+](=O)c1ccccc1C(=O)N[N-][CH+]c1ccc(o1)N1CCCCC1
66468 CCc1cc2c(cc1OCC(=O)Nc1cccc(C)c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O
66469 COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl
66470 CCN(CC)C(=O)Oc1ccc(Br)c2ccccc12
66471 CC(OC(=O)\C=C\c1cn(nc1-c1cccnc1)-c1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1
66472 Cc1cccc(C)c1NC(=S)Nc1ccccc1C(=O)NCc1ccco1
66473 Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1
66474 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCOC
66475 CC(C)C(OC(=O)c1cc2CCCCCc2s1)C(=O)NC(N)=O
66476 COc1ccc(OC)c(c1)N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1 |t:23|
66477 COc1ccc(OC)c(\C=C\C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1
66478 Cc1c(cccc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\C(=C/c2cccs2)C1=O
66479 COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc(C)cc1C
66480 Cc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1
66481 CCOc1ccccc1C(=O)N[C@@H](C(C)C)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
66482 Brc1ccc(C=CC(=O)c2ccc(cc2)N=C2NCCCS2)cc1 |w:15.15,6.6|
66483 COC(=O)Cc1csc(N=Cc2c(O)n(-c3cccc(c3)C(F)(F)F)c(=O)c3ccccc23)n1 |w:9.8|
66484 [O-][N+](=O)c1ccccc1CC(=O)OCC(=O)NCc1ccc(Cl)cc1
66485 COc1ccc(cc1)S(=O)(=O)N1CC(O)CC1C(=O)OCc1nc2sc(C)c(C)c2c(=O)[nH]1
66486 COc1ccc(cc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1
66487 Brc1cncc(c1)C(=O)NCc1ccccc1
66488 Brc1cccc(c1)-c1cc(C(=O)NN=Cc2ccco2)c2ccccc2n1
66489 CSCc1[nH]c(=S)n(c1O)-c1ccc(C)cc1
66490 Clc1cccc(C=NNC(=O)c2ccc(Cn3cccn3)o2)c1
66491 CC(=O)c1ccc(NC(=O)CON=C(C)c2cccs2)cc1 |w:12.11|
66492 Cn1cnc(c1S(=O)(=O)c1cccc(Cl)c1)[N+]([O-])=O
66493 Fc1ccc(NC(=S)NCc2ccccc2Cl)cc1
66494 CCOC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc(C)cc1 |c:5|
66495 COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccccc1
66496 CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
66497 Oc1c(Br)cc(NNC(=O)c2ccccc2)cc1Br
66498 CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3ccc(Cl)cc3)=c2c1 |c:33,t:6|
66499 COc1cc(\C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F
66500 CCc1cccc(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)c1csnn1
66501 NS(=O)(=O)c1ccc(N=NCc2cn(nc2-c2ccccc2)-c2ccccc2)c(c1)[N+]([O-])=O |w:8.7|
66502 CC(C)(C)C1C\C(=C\c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
66503 C=CC[N+]1(CC=C)CCOCC1
66504 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Br)cc1
66505 Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
66506 Cc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1
66507 CCOC(=O)C=c1sc(=Cc2ccc(cc2)C#N)c(=O)n1CC(=O)Nc1cccc(C)c1C
66508 CCOC(=O)C=c1sc(=Cc2ccc(cc2)C(=O)OC)c(=O)n1CC(=O)Nc1ccccc1
66509 CCOC(=O)COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
66510 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1
66511 OC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
66512 Cc1cc(C)cc(c1)N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
66513 CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccn1
66514 Brc1ccc(NC(=O)c2cccc3C(=O)c4ccccc4-c23)nc1
66515 CCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1
66516 O=C(N1CCCN(Cc2nc(no2)-c2ccc3OCOc3c2)CC1)c1ccco1
66517 CCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O
66518 Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C
66519 Clc1cccc(c1)N1C(=O)NC(=Cc2ccc(o2)N2CCOCC2)C1=O |w:12.13|
66520 FC(F)(F)c1ccc(C=NNC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc1 |w:9.9|
66521 CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O
66522 OC(=O)CCN1C(=S)S\C(=C\c2ccncc2)C1=O
66523 COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O
66524 Cc1ccc(cc1)C(N(C(=O)Cc1cccs1)c1cccnc1)C(=O)NCc1ccco1
66525 CCOC(=O)CNC(=O)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
66526 CCN(CC)C(=O)CCCc1c[nH]c2ccccc12
66527 Cc1nn(-c2ccc(Cl)cc2)c2oc(=O)cc(C)c12
66528 COc1ccc(cc1)-c1nn(cc1\C=C\C(=O)OCC(=O)Nc1ccccc1C#N)-c1ccccc1
66529 [O-][N+](=O)c1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3cccc4cccc(C2=O)c34)cc1
66530 FC(F)(F)c1nc2ccccc2n1CC(=O)NNC1=c2cc(Br)ccc2=NC1=O |c:20,28|
66531 COc1ccc2c(c1)[nH]c1c2[nH]c(=O)n(N=CC2C(C)CC(C)=CC2C)c1=O |w:15.16,c:24|
66532 [#7]\[#6](-[#7])=[#7]\[#7+]=[#6]-[c-]1cccc(-[#7+](-[#8-])=O)c1=O |w:4.3|
66533 CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC=C
66534 Cc1cccc(NC(=S)NCCc2ccc(F)cc2)c1C
66535 CC(C)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1
66536 COCc1cccc(NC(=O)CCc2ccccc2)c1
66537 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCc2c1C(=O)OCC |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
66538 Cc1ccc2c(cc(nc2c1C)-c1cccnc1)C(=O)N1CCN(CC1)c1ccccc1
66539 CCN(CC)CCSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
66540 Clc1ccc2nc(cc(C(=O)N3CCN(CCc4ccccc4)CC3)c2c1)-c1ccccn1
66541 COc1ccccc1CNC(=O)COc1ccc(cc1)[N+]([O-])=O
66542 CC(C)CC(=O)Nc1ccc2OCOc2c1
66543 S=C(Nc1ccccc1)N1N=C(CC1c1cccs1)c1cccs1 |c:11|
66544 CC(=O)c1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccs1)C(=O)c1csnn1
66545 FC(F)(F)c1cccc(Cc2noc(CN3CCCC(C3)OCc3ccccn3)n2)c1
66546 Cc1cc(C)c(cc1Br)S(=O)(=O)N1CCCCCC1
66547 C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1
66548 Cc1cccc(c1)-n1c(Cc2ccccc2)n[nH]c1=S
66549 CC(=O)c1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1
66550 CC(C)Oc1ccccc1C(=O)NC(CO)C(O)=O
66551 O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
66552 CC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C
66553 Cc1occc1-c1nnc(o1)-c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
66554 Clc1ccc(\C=C\C(=O)NC2=NCCS2)cc1Cl |t:10|
66555 CCN(CC)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
66556 Cc1ccc(Cl)cc1NC(=O)CC1NC2CCCCC2NC1=O
66557 CCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
66558 Cc1cc(NC(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)no1
66559 COc1ccc(cc1)C(=O)NNC(=O)CSc1nc2n(C)c(=O)n(C)c(=O)c2n1C
66560 COc1cc(ccc1F)S(=O)(=O)Nc1ccncc1
66561 Cc1ccc(OCCC(=O)Nc2ccc(C)c(F)c2)cc1
66562 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3OCCOc3c2)cc1
66563 Cc1cc(C)cc(NC(=O)CCN2CCCC2)c1
66564 CCn1c(C)[n+](CCOC(C)=O)c2cc(Cl)c(Cl)cc12
66565 CC(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)c1ccc(NC(C)=O)cc1 |w:3.3|
66566 Clc1cccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)c1
66567 Clc1nc(NCc2ccco2)nc(n1)N1CCCCC1
66568 Cc1cc(n2ncc(-c3cccc(Br)c3)c2n1)C(F)(F)F
66569 Cc1c(Cl)cccc1NC(=O)CN1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccccc2)CC1 |(5.75,-7.01,;5.75,-8.55,;4.41,-9.32,;3.08,-8.55,;4.41,-10.86,;5.75,-11.63,;7.08,-10.86,;7.08,-9.32,;8.41,-8.55,;8.41,-7.01,;7.08,-6.24,;9.75,-6.24,;9.75,-4.7,;8.41,-3.93,;8.41,-2.39,;9.75,-1.62,;9.75,-.08,;11.08,.69,;11.08,2.23,;12.42,3,;12.42,4.54,;13.75,5.31,;15.08,4.54,;13.75,6.85,;12.42,7.62,;11.08,6.85,;11.08,5.31,;9.75,4.54,;13.19,8.96,;14.73,8.96,;15.5,10.29,;14.73,11.63,;13.19,11.63,;12.42,10.29,;11.08,-2.39,;11.08,-3.93,)|
66570 COc1cc(cc(OC)c1OC)C(=O)NCc1cc(C)nc2ccccc12
66571 CCOCCCNC(=O)c1ccc2Sc3ccc(Br)cc3C(CC)=Nc2c1 |c:24|
66572 Fc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1
66573 Oc1cc(nnc1C(=O)c1ccccc1)-c1ccccc1
66574 CCOc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)S(=O)(=O)\C(=C\c2ccc(O)c(OC)c2)C1=O
66575 Clc1ccc(cc1)-c1[nH]oc(=O)c1C=C1C=CC(=O)C=C1 |c:17,21,(5.23,-5.36,;5.23,-3.82,;6.57,-3.05,;6.57,-1.51,;5.23,-.74,;3.9,-1.51,;3.9,-3.05,;5.23,.8,;3.99,1.71,;4.46,3.17,;6,3.17,;6.91,4.42,;6.48,1.71,;7.94,1.23,;9.09,2.26,;8.77,3.77,;9.91,4.8,;11.38,4.33,;12.52,5.36,;11.7,2.82,;10.55,1.79,)|
66576 Cc1cccc(NC(=S)N(CC2CCC(CC2)C(O)=O)Cc2cccc(Br)c2)c1 |(7.08,7.79,;5.75,7.02,;4.41,7.79,;3.08,7.02,;3.08,5.48,;4.41,4.71,;4.41,3.17,;5.75,2.4,;7.08,3.17,;5.75,.86,;4.41,.09,;4.41,-1.45,;3.08,-2.22,;3.08,-3.76,;4.41,-4.53,;5.75,-3.76,;5.75,-2.22,;4.41,-6.07,;3.08,-6.84,;5.75,-6.84,;7.08,.09,;8.41,.86,;8.41,2.4,;9.75,3.17,;11.08,2.4,;11.08,.86,;12.42,.09,;9.75,.09,;5.75,5.48,)|
66577 CCOc1ccccc1NC(=O)CN1C(=O)CSC(C)C1=O
66578 NC(=O)CCSC(=S)N1CCOCC1
66579 CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1 |c:15|
66580 Cc1cc(ccc1F)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1ccco1
66581 NC(=S)NNC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(Br)cc1 |w:17.18|
66582 CCOC(=O)C1=NOC(COc2ccccc2C=O)C1 |t:5|
66583 COC(=O)C1CSC(N1C(=O)c1ccccc1)c1ccc(Cl)cc1
66584 CN(C)\C=N\C(=O)c1cc(c[nH]1)C(=O)c1ccc(Cl)cc1Cl
66585 FC(F)(F)C(=O)\C=C\N1CCN(Cc2ccccc2)CC1
66586 COc1cccc(c1)-c1cc(c(C#N)c(=O)[nH]1)C(F)(F)F
66587 CNC(=O)Nc1ccc(Cn2cc(ccc2=O)C(F)(F)F)cc1
66588 COC(=O)C1SCC2N1C(=O)CN(Cc1ccc(Cl)cc1)C2=O
66589 CON=C\C(=C\c1cc(cn1C)C(=O)c1ccccc1)C#N
66590 O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1
66591 CC(C)[C@H]1CN=C2N(CCNC(=O)CCC3CCCCC3)[C@H](Cc3ccc(O)cc3)CN12 |t:5|
66592 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2coc3ccccc3c2=O)cc1 |c:11|
66593 CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC
66594 CC(C)CC(NC(N)=O)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1
66595 CN(C)CC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O
66596 CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N(C)C
66597 Cc1cc(C(=O)CCl)c(C)n1CCc1ccc(Cl)cc1
66598 COCCCn1cc(cc(C#N)c1=O)C(=O)c1cc(OC)ccc1OCC(=O)N1CCCCC1C
66599 CN(CC(O)COC(c1ccccc1)c1ccccc1)C1CCCCC1
66600 COCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
66601 CCCCn1nc(C)c(C(O)=O)c1Cl
66602 CCN(CC)S(=O)(=O)c1cc(NC(=O)C2Cc3ccccc3C(=O)O2)ccc1C
66603 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccn1
66604 Oc1ccc(CCNC(=O)CSc2ccc3ccccc3c2)cc1O
66605 CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C)C
66606 OC(=O)\C=C\C(=O)Nc1ccc(OC(F)F)cc1
66607 Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)cc1
66608 CCN(CC)c1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
66609 O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1
66610 CN(C)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccccc2)cc1
66611 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(C)cs1
66612 CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)\C=C\c1ccccc1
66613 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3N(CCCc3c2)C(C)=O)cc1
66614 COc1ccc(cc1)S(=O)(=O)N1CC(O)CC1C(=O)OCC(=O)Nc1ccc(Cl)cn1
66615 Fc1ccccc1S(=O)(=O)N1C(=O)N(C2(CCCC2)C1=O)S(=O)(=O)c1ccccc1F
66616 Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)no1
66617 CC(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
66618 CC(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
66619 CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1C(O)=O
66620 COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O
66621 Fc1ccc(cc1)C(=O)C1=NN[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)C2=O |t:10|
66622 COc1ccc(cc1OC)C(=O)N\C(=C\c1cccs1)C(=O)NN
66623 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(n1N)C(F)(F)F
66624 CNC(=S)NC1(C)CCS(=O)(=O)C1
66625 Cc1cc(C)n(CCC(=O)N\N=C\c2ccc(Cl)c(c2)[N+]([O-])=O)n1
66626 CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O
66627 CCCOC(=O)Nc1ccc(cc1NC(=O)OCCC)[As](O)(O)=O
66628 CCCCCC(=O)N1CCCC1
66629 Cc1cc(=O)oc2cc(OCCC[n+]3ccccc3)ccc12
66630 ClCCCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1
66631 CCC(=O)NC(N)=Nc1nc(C)c2cc(C)c(C)cc2n1 |w:7.7|
66632 [O-][N+](=O)c1cccc(\C=N\NC(=O)C2CCCNC2=O)c1
66633 Cc1ccc(OP(=O)(Nc2ccc(cn2)[N+]([O-])=O)Oc2ccc(C)cc2)cc1
66634 NC(=S)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
66635 CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
66636 [#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\[#7]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#7]-c2ccccc2)-[#6]-1=O
66637 CC(C)CCN1NC2(CCCC(C)C2)NC1=S
66638 Cc1cc(NC(=O)CCC(=O)N(C(C(=O)NC2CCCC2)c2ccco2)c2cc(C)ccc2C)no1
66639 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(Cc2ccc3OCOc3c2)CC1
66640 [O-][N+](=O)c1cccc(c1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccs1
66641 Clc1ccc(OCCCC(=O)Nc2ncccn2)c(Cl)c1
66642 CCSc1nc(NCCN(C)C)c2c3CC(C)(CC)OCc3sc2n1
66643 COc1cc(CN2CCc3ccccc3C2)ccc1O
66644 Cc1cc(Oc2ccc(=O)[nH]n2)nc(Cl)n1
66645 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1CC
66646 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1 |c:14|
66647 Fc1ccc(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)cc1 |c:10,18|
66648 CCOC(=O)CC1=C(C(=O)OCC)C2(C(C#N)C(=N)O1)C(=O)Nc1ccccc21 |c:6|
66649 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccsc1
66650 CCCS(=O)(=O)CC(=N)NOC(=O)c1ccc(Cl)cc1
66651 Fc1ccc(SCC(=O)Nc2ccc(cc2)C2SCCS2)cc1
66652 Cc1onc(c1C(=O)NS(=C)(=O)c1ccccc1)-c1c(Cl)cccc1Cl |(7.42,3.37,;6.52,2.12,;4.98,2.12,;4.5,.66,;5.75,-.25,;6.99,.66,;8.5,.98,;9.53,-.17,;8.98,2.44,;10.48,2.76,;10.16,4.27,;10.8,1.26,;11.99,3.08,;13.02,1.94,;14.52,2.26,;15,3.72,;13.97,4.87,;12.46,4.55,;5.75,-1.79,;4.41,-2.56,;3.08,-1.79,;4.41,-4.1,;5.75,-4.87,;7.08,-4.1,;7.08,-2.56,;8.41,-1.79,)|
66653 [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6](\C#N)=[#6](/[#16]-[#6])-[#16]-[#6]
66654 CN(C)C(=O)c1ccc(OCC(F)(F)F)nc1
66655 Cc1ccc(cc1)C(=O)Nc1ccc(nc1N1CCOCC1)N1CCOCC1
66656 Cc1ccc(CNC(=O)c2ccc3c(c2)nc2scc(-c4ccc(C)cc4)n2c3=O)cc1
66657 Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl
66658 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)cc1
66659 Cc1cc(no1)-c1onc(C)c1C(=O)Nc1ccc(cc1)C(F)(F)F
66660 CCOC(=O)c1cc(on1)C(C)=NOC(=O)c1ccc(cc1)C(C)(C)C
66661 COc1c(Br)cc(c(OC)c1C(=O)NC(=O)Nc1nc(C)cc(C)n1)[N+]([O-])=O
66662 Nc1ccccc1SC(C[N+]([O-])=O)c1ccccc1
66663 COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(F)cc1Br
66664 Cc1cc(C)c2c(N)c(sc2n1)-c1nnc(SCc2ccc(F)cc2)n1CC=C
66665 CCOc1nc-2c(Cc3ccccc-23)c(-c2cccs2)c1C#N
66666 [#6]-[#16]\[#6](-[#16]-[#6])=[#6](\C#N)-[#6](=O)-c1ccccc1
66667 [#6]-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
66668 FC(F)(F)c1nnc(Sc2ccc(cn2)C(F)(F)F)[nH]1
66669 CCCCc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1
66670 COc1ccc(NC(=O)\C=C\C(O)=O)c(c1)[N+]([O-])=O
66671 Brc1cc(Br)c2nc(NC(=O)c3ccco3)sc(=O)c2c1
66672 NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc23)cc1
66673 COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N
66674 Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1cccc(Cl)c1
66675 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1cccc(Cl)c1
66676 COc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
66677 [H][C@@]12N(C)c3ccc(OC)cc3[C@@]11C[C@H](N(C(=O)c3ccco3)C1=NC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:27,33|
66678 CC1(C=CC2(CCCCC2)N1C(=O)c1ccccc1)C(=O)NCC1CC1 |c:2|
66679 Oc1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1
66680 COc1ccc(cc1)C(O)Cc1nccn1C
66681 CCC(Sc1ncccc1Nc1ccccn1)C(O)=O
66682 Cn1c(SCc2ccccc2)nc(N)c(N=O)c1=O
66683 NS(=O)(=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
66684 COc1ccc(cc1)N1CCN(CC1)C1CCCN(Cc2cccc(c2)C(C)=O)C1
66685 OCCOCCNc1nc2ccccn2c(=O)c1\C=C1\SC(=S)N(Cc2ccco2)C1=O
66686 CN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2cc(C)ccc12
66687 COc1cc2CC(=O)NC(c3ccccc3Br)c2cc1OC
66688 COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)c(F)c1
66689 COc1ccccc1CCNC(C)CCc1ccc(O)cc1
66690 CN(C)C(=O)c1sc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)nc1C
66691 [O-][N+](=O)c1ccc(CP(=O)(c2ccccc2)c2ccccc2)cc1
66692 Cc1ccc2[nH]c3C(CCCc3c2c1)NC(=O)CCl
66693 COc1cc2c(c(C)oc2cc1C=NNC(N)=S)-c1ccccc1 |w:13.15|
66694 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
66695 CCOc1ccc(CNC2CCCCCCC2)cc1OC
66696 OCc1ccc(OCCCOc2cccc3cccnc23)cc1
66697 Cc1cccc(NC(=S)NC2CCCC2)c1C
66698 COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(Br)cc1
66699 COc1ccc(cc1)S(=O)(=O)N1CCCCC1C
66700 Fc1ccccc1N1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)c1ccccc1
66701 CC(c1ccccc1)n1c(CCCO)nc2ccccc12
66702 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccccc1OC
66703 CSc1ccc(cc1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
66704 Cc1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccccc1C
66705 COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1
66706 Brc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)o1
66707 Cc1cccc(C)c1NC(=O)c1cnccn1
66708 CN(CC(O)=O)S(=O)(=O)c1ccc2oc3ccccc3c2c1
66709 Cc1ccsc1CNC1CCCCC1
66710 COc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc12
66711 CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
66712 COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cc2ccccc2o1
66713 Cc1ccc(NC(=O)CCN2CCOCC2)cc1C
66714 CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1
66715 Clc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1
66716 CCOC(=O)C(Cc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O
66717 COc1ccccc1CC(=O)N1CCOCC1
66718 Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1
66719 O=C(Nc1cccnc1)\C=C\c1ccccc1
66720 Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
66721 COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
66722 C[N+](C)(C)CCNC(=O)C1=C\C(=C/[NH+]=O)N(Cc2ccccc2)C=C1 |c:24,t:9|
66723 CCOC(=O)CN1C(=O)CC(C1=O)c1ccc(cc1)[N+]([O-])=O
66724 Cc1ccc(OCC(O)CN2CCN(CCO)CC2)c(C)c1
66725 CC1CN(CCC(=O)Nc2ccc(C)c(C)c2)CC(C)O1
66726 COc1ccc(cc1)C(=O)Nc1cccc2CCCCc12
66727 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
66728 CCN(CC)CCCNC(=S)N1CCC(CC1)c1nc2ccccc2[nH]1
66729 OC(CNCC1COc2ccccc2O1)COc1ccc(Cl)cc1
66730 CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CC1
66731 Cc1ccc(Sc2c([N+]([O-])=O)c(=O)n(C)c3ccccc23)cc1
66732 COc1ccc(CCNC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC
66733 COc1ccc(NC(=O)CN2CCC(CC2)NC(=O)c2ccc(OC)cc2)cc1
66734 Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O
66735 Cc1ccccc1NC1=NC(=O)C(CO)(CO)S1 |t:9|
66736 CCOc1ccccc1\C=C\c1nc2ccccc2[nH]c1=O
66737 COc1cc2c3CCNC(=O)c3[nH]c2cc1F
66738 Cc1c(CCCC(O)=O)sc(N)c1C(=O)c1cccc(c1)C(F)(F)F
66739 O=C(NCc1cccnc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@H]12 |c:13|
66740 CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCCC1
66741 COc1ccc(CNCc2ccc(cc2)[N+]([O-])=O)cc1OC
66742 COC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2ccccc12
66743 CCOC(=O)C[C@@H]1N(Cc2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccccc12
66744 CC(C)COc1ccc2[nH]c3c(CCC(=C)C3=O)c2c1
66745 COc1ccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c(C)c1
66746 Cc1ccc(cc1)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl
66747 COc1ccc(OC)c2[nH]c(cc12)C(=O)N1CCC(CC1)C(O)=O
66748 CCc1cc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)cc1O
66749 CCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(C)CC1)\C#N
66750 Cc1nc(NN)c2c3CC(C)(C)OCc3sc2n1
66751 Cc1c(Cl)cccc1NC(=O)[C@@]1(CC(O)=O)CC(\C=C\c2ccccc2)=NO1 |c:27|
66752 O=C(Cc1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccccc1
66753 C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCC(CC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:1.0,wD:23.23,(5.75,-4.72,;7.08,-5.49,;7.08,-7.03,;5.75,-7.8,;4.41,-7.03,;5.75,-9.34,;4.41,-10.11,;3.08,-10.88,;5.18,-11.45,;3.64,-8.78,;8.41,-4.72,;9.75,-5.49,;8.41,-3.18,;9.75,-2.41,;9.75,-.87,;11.08,-.1,;11.08,1.44,;9.75,2.21,;8.41,1.44,;8.41,-.1,;9.75,3.75,;8.41,4.52,;11.08,4.52,;11.08,6.06,;12.42,6.83,;12.42,8.37,;13.75,9.14,;13.75,10.68,;12.42,11.45,;11.08,10.68,;11.08,9.14,;9.75,6.83,;8.41,6.06,;9.75,8.37,)|
66754 COc1cc2sc3ccc(cc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1
66755 COc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
66756 Brc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
66757 Cc1ccc(cc1)S(=O)(=O)n1ccc2c(OCCOCCNCc3ccc(F)cc3)cccc12
66758 Fc1cccc(CN2CCSc3sccc3C2=O)c1
66759 Cn1cnnc1SCC(=O)Nc1ccc(F)cc1
66760 Oc1ccn(CC#C)c(=O)c1Cc1ccccc1
66761 CC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1
66762 Cc1cccc[n+]1CC(=O)c1ccccc1
66763 Nc1cccc(Oc2cnccn2)c1
66764 CC(C)CC(=O)c1c[nH]c(c1)C(=O)NCc1ccccc1
66765 Cc1cc2c(NC(=O)C22OCCO2)c(Br)c1
66766 COc1ccc(CC(=O)NCCN2CCOCC2)cc1
66767 CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccc(CC)cc1
66768 CCOCCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(CC)cc1
66769 CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=O)c1cccc(F)c1 |t:12|
66770 CCCc1nc2cc3n(C)c(=O)n(C)c3cc2[nH]1
66771 CC(C)C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(C)c12)C(O)=O
66772 COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
66773 OC(=O)COc1ccccc1\C=C1/C(=O)Nc2ccc(Br)cc12
66774 COC(=O)C(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
66775 CN1CCc2[nH]c3c(C)cccc3c2C1
66776 Cc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:6,15|
66777 CC(C)CN(CC(C)C)C(=O)c1cc2c(nc3ccccn3c2=O)s1
66778 Cc1ccc(cc1)C(O)(CCN1CCCCC1)c1ccccc1
66779 COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
66780 COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1
66781 CCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12
66782 CN1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1
66783 COCCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccnc1
66784 COc1cc2CCC(NC(C)=O)c3cc(=O)c(O)ccc3-c2c(OC)c1OC
66785 COC(=O)C(C)Oc1cc(OC(C)C(=O)OC)c2c(cc(=O)oc2c1)-c1ccccc1
66786 Clc1ccc(cc1)C(=O)Nc1ccccc1N1CCCCC1
66787 CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C |c:22|
66788 Cc1c(sc2ccccc12)C(=O)c1ccccc1C(O)=O
66789 Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)CCC(O)=O)c2)c(C)c1C
66790 COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(OC)c1
66791 CC1(C)C(Oc2ccc(O)cc12)N1CCOCC1
66792 OC(=O)c1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1Cl
66793 Cc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
66794 ClC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
66795 Cc1cc(\C=C(\C#N)C(O)=O)c(C)n1-c1cccc2ccccc12 |(8.65,.99,;7.18,.52,;6.71,-.95,;5.17,-.95,;4.26,-2.2,;4.89,-3.6,;3.99,-4.85,;3.08,-6.09,;6.42,-3.76,;7.05,-5.17,;7.33,-2.52,;4.69,.52,;3.23,.99,;5.94,1.42,;5.94,2.96,;4.61,3.73,;4.61,5.27,;5.94,6.04,;7.27,5.27,;8.65,6.09,;10.04,5.3,;10.04,3.7,;8.65,2.91,;7.27,3.73,)|
66796 Cc1onc(c1C(=O)OCCOc1ccccc1C)-c1ccccc1
66797 CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
66798 OC(=O)C(CCCCNS(=O)(=O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1
66799 CC(=O)Nc1ccc(c(CS(=O)(=O)c2ccc(C)cc2)c1[N+]([O-])=O)[N+]([O-])=O
66800 COC(=O)C(Cc1ccccc1)OS(N)(=O)=O
66801 NC(=O)OCCCc1ccccc1
66802 CC(C)(C)C#CC(CCc1ccccc1)OS(N)(=O)=O
66803 CC12CCCCC1NS(=O)(=O)OC2
66804 CCCCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
66805 FC(F)(F)c1ccc(Cl)c(NC2=NCCCCC2)c1 |t:11|
66806 CC(N1CCN(CC1)C(=O)c1ccccc1)C(=O)N(C)c1ccccc1
66807 COc1ccc(CCNCC(C)c2ccccc2)cc1
66808 CCCn1c(SCC(=O)NC)nc2sc3CCCc3c2c1=O
66809 CCCn1c(SCC(=O)NCC=C)nc2sc3CCCc3c2c1=O
66810 CCOC(=O)C(=C/c1ccc(OC)c(OC)c1)\C(=O)c1cccnc1
66811 Brc1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1
66812 COC(=O)c1cc(CNC(=O)CC(C)c2ccccc2)ccc1OC
66813 Cc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(O)=O
66814 CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nnc([nH]1)C(F)(F)F
66815 FC(F)Oc1ccccc1C(=O)NC1CCCc2ccccc12
66816 COc1ccc(cc1C(=O)OCCCOc1ccc(F)cc1)S(N)(=O)=O
66817 BrCC(=O)Nc1c2CSCc2nn1-c1ccccc1
66818 OC(=O)CCN1CCc2ccccc2C1c1ccncc1
66819 CC1CCCN(C1)C(=O)CN1C(=O)C(C)Oc2ccccc12
66820 Brc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
66821 COc1ccc(CNC(=O)Cc2cccs2)cc1OC
66822 OCCNC(=O)C(=O)Nc1cc2CCN3c2c(CCC3=O)c1
66823 NS(=O)(=O)c1ccc(NC(=O)c2ccc3CCCCc3c2)cc1
66824 COc1ccc(nn1)-c1ccc(NS(=O)(=O)c2cc(c(C)c(c2)[N+]([O-])=O)[N+]([O-])=O)cc1
66825 NC(=O)c1ccc[n+](CC(=O)NCc2ccc(Cl)cc2)c1
66826 NCC1CCC(CC1)C(=O)Oc1ccc(CCC(O)=O)cc1 |(.94,.95,;2.27,1.72,;2.27,3.26,;3.61,4.03,;3.61,5.57,;2.27,6.34,;.94,5.57,;.94,4.03,;2.27,7.88,;.94,8.65,;3.61,8.65,;3.61,10.19,;4.94,10.96,;4.94,12.5,;3.61,13.28,;3.61,14.82,;4.94,15.59,;4.94,17.13,;6.28,17.9,;3.61,17.9,;2.27,12.5,;2.27,10.96,)|
66827 CN1C(=O)[C@H]2[C@@H](C3CC3)N3C(=O)CN(Cc4ccc(cc4)-c4ccccc4)C(=O)[C@@]3(C)[C@H]2C1=O
66828 CCCn1cc(c(=O)c2cc(OC)c(OC)cc12)S(=O)(=O)c1ccc(C)cc1
66829 Cc1cc(on1)C(=O)N1CCN(CC1)c1ccc(F)cc1
66830 COc1cc(NC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc(OC)c1
66831 COc1ccc(cc1OC)C(=O)NCc1nnc(SCC(=O)NCc2ccco2)o1
66832 Fc1ccc(CNC(=O)CCC2N=C3N(C2=O)C(SCC(=O)NCC2CCCO2)=Nc2ccccc32)cc1 |c:12,30|
66833 Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(c(N)c12)-c1ccc(Br)cc1 |t:14|
66834 Cc1n(nc2c1c(C)nn(CC(=O)NCCC1=CCCCC1)c2=O)-c1ccc(C)cc1 |t:17|
66835 CCOc1ccccc1CNC(=O)Cn1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1
66836 CC(C(=O)NCc1ccccc1Cl)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1
66837 Cc1ccc(CCNC(=O)c2cc(nc3ccc(cc23)S(=O)(=O)N2CCOCC2)-c2ccncc2)cc1
66838 O=C(CCCCCn1c(=S)[nH]c2ccsc2c1=O)NC1CCCCC1
66839 OC(=O)c1cccnc1SCC(=O)NC1CCCCC1
66840 Clc1ccc(CCNC(=O)C2CCCN(C2)S(=O)(=O)N2CCCCCC2)cc1
66841 Cc1ccccc1NC(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:23|
66842 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)c1ccc(cc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1SC |TLB:9:8:7:3.2.4|
66843 COc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1
66844 [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)N(C(=O)[C@@]1(C)[C@@H]2C(=O)OCC)c1ccc(Cl)cc1
66845 COc1ccccc1CCCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1
66846 Cc1cc(C)n(n1)-c1ccc(NC(=O)C2CCN(Cc3ccc(C)o3)CC2)cc1
66847 COc1ccc(cc1OC)S(=O)(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O
66848 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1
66849 CSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1
66850 Cn1c2ccccc2c2cnn(CC(=O)NCCCN3CCN(CC3)c3ccccc3F)c(=O)c12
66851 CN(C1CCCN(Cc2ccccc2F)C1)C(=O)CSc1ccncc1
66852 CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c[nH]cn1
66853 Cc1cc(=O)n2nc(sc2n1)N1CCCC(C1)C(=O)NCCc1ccc(Cl)cc1
66854 Clc1ccc(cc1)N1CCN(CC1)C(=O)Cn1c2ncccc2n2cccc2c1=O
66855 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
66856 CCc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3OCC(=O)Nc3c2)c1
66857 CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1cccc(O)c1 |c:2,4|
66858 CCN(CC)C1CCN(C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
66859 COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
66860 CC(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
66861 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)CCC(=O)NCc1ccc(C)o1
66862 COc1cccc(CNC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCCCCC2)c1
66863 CC1CCN(CC1)c1ccc2nnc(CCC(=O)NCc3ccco3)n2n1
66864 O=C(COc1ccccc1)NN=Cc1cccc2cccnc12
66865 C=CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccn1
66866 COc1cccc(CN(CC(=O)NC2CCCC2)C(=O)c2csnn2)c1
66867 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccccc1
66868 [O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1
66869 Oc1ccccc1C=NNC(=O)C1CN(C(=O)C1)c1ccc(F)cc1 |w:8.9|
66870 Cc1ccsc1\C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1
66871 COCc1cc(C)nc(SCC(=O)Nc2nc(C)cs2)c1C#N
66872 Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)N1CCN(CC1)c1ccccc1
66873 O=S(=O)(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C#N
66874 CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
66875 CN1CCN(CCCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)CC1
66876 COc1ccccc1N1CCN(CC1)S(=O)(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1
66877 CN(C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O)c1cc(C)ccc1C
66878 COc1cc(cc(OC)c1OC)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
66879 Clc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1
66880 COc1ccc(cc1OC)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1cccnc1
66881 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccccc1
66882 Fc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(s1)C1CCCCC1
66883 Fc1cccc(c1)N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1
66884 CSc1ccc(CCNC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn23)cc1
66885 O=C(NCCCN1CCCCC1)c1ccc2Sc3ccccc3C(=O)Nc2c1
66886 Cc1cc(C)cc(c1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
66887 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
66888 CCN(C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O)c1ccccc1C
66889 Clc1cccc(CN2[C@@H](CC3CCCCC3)COCCS2(=O)=O)c1
66890 CSc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)cc1
66891 CCCN1CCN(CCCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1
66892 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)c1ccc(cc1NC(=O)Nc1cccc(OC)c1)C(=O)NCCCOCC |TLB:9:8:7:3.2.4|
66893 COc1ccc(cc1)-n1ncc2C(CC(C)(C)Cc12)NC(=O)Cc1nonc1C
66894 COc1cc(CN2CCNC(=O)C2CC(=O)N(C)CCCN2CCOCC2)cc(OC)c1
66895 CCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
66896 CC(C)CN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
66897 Brc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1
66898 Clc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c(Cl)c1 |w:6.6|
66899 CCc1cc(sc1C)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1 |c:18|
66900 CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1
66901 COC(=O)c1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cc1
66902 COc1ccc(cc1OC)-c1nc(CN2CCN(CC2)C(=O)c2ccco2)c(C)o1
66903 COc1cc(CN2CCCC(C2)C(=O)Nc2ccccc2Oc2cccnc2)ccc1F
66904 COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(cc2)[N+]([O-])=O)c1
66905 CC(C)c1nnc(NC(=O)COC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)s1
66906 Cc1ccc(Sc2ncccc2C(=O)NCc2cc(ccc2O)[N+]([O-])=O)cc1C
66907 CC(NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(cc1)-n1ccnc1
66908 CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1c[nH]c2ccccc12
66909 COc1ccc(CCNC(=O)CCOc2ccc(C)cc2)cc1OC
66910 Cc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1
66911 COC(=O)c1c(NC(=O)C2CC(C)=C(C)CC2C(O)=O)sc2CCCCCc12 |t:12|
66912 O=C(C(Cc1ccccc1)NC(=O)c1ccccc1)N1CCCCCC1
66913 CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NCc1ccccc1
66914 CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)c12
66915 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)NCc1ccncc1
66916 CN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCCC1
66917 COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccccc1
66918 [O-][N+](=O)c1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
66919 CC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccco1 |w:2.2|
66920 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1
66921 CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(O)c1
66922 CCN1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
66923 Cc1ccc(NC(=O)CSc2nc3nc(C)c(Br)cc3[nH]2)cc1F
66924 COc1ccc(cc1C(N)=O)S(=O)(=O)NC1CCCC1
66925 CC(NC(=O)c1cccc(OC2CCN(CC2)C2CCN(C)CC2)c1)c1ccccc1
66926 COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1
66927 Oc1cc2OCOc2cc1CN1CCN(CC1)c1ncccn1
66928 CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12
66929 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N[N-][CH+]c1ccsc1
66930 CC1CCCCC11NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
66931 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccc(cc2)C(C)(C)C)CC1
66932 Cc1ccccc1S(=O)(=O)N(CC(O)CN1CCCCC1)c1ccccc1
66933 Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)ccc12
66934 CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC1CCCC1
66935 CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c12
66936 COc1ccc(\C=C2/SC(=O)N(CCC(=O)N(C)C3CCS(=O)(=O)C3)C2=O)cc1
66937 Clc1cccc(NC(=O)Cn2cnc3c4cc5CCCCc5nc4oc3c2=O)c1
66938 CCOC(=O)N1N(C(=O)OCC)[C@](C(C)C)(C1=O)c1ccc(Cl)cc1
66939 Cc1ccc(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
66940 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)o1
66941 COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)o1
66942 CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2c3ccccc3[nH]c2c1=O
66943 CN(C)CCCN(C(=O)c1ccc(s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
66944 CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
66945 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
66946 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
66947 Fc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)CS(=O)(=O)c1ccccc1
66948 Fc1ccc2nc(sc2c1)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1
66949 [O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1ccc(Cl)cc1
66950 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
66951 CCN(CC)CCN(C(=O)c1cc2c(ccc3ccccc23)oc1=O)c1nc2cc3OCCOc3cc2s1
66952 CC(=O)Nc1ccc(NC(=O)C(=O)NCC(N2CCc3ccccc23)c2ccco2)cc1
66953 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
66954 CCN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1
66955 Cc1cc(C)c(cc1C)C(=O)COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F
66956 CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1sc(C)nc1-c1ccc(F)cc1
66957 Cc1ccc(OC(=O)C2CCN(CC2)C(=O)c2ccccc2C)c(Br)c1
66958 CCOc1ccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 |t:14|
66959 COc1ccc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(OC)c1
66960 CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccco1
66961 CC1CC(C)CN(C1)C(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
66962 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)NCc2ccccc2)nc1
66963 CCOc1ccc(cc1)N1CC(CC1=O)C(=O)NNC(=O)c1ccc(Br)cc1
66964 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F
66965 [H]C12CC(C)(CN1S(=O)(=O)c1cccc(c1)C(=O)NCCCOC)CC(C)(C)C2 |TLB:7:6:2:25.24.28|
66966 COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1
66967 CCc1cccc(CC)c1NC(=O)C1CSC2(C)CCC(=O)N12
66968 COc1ccccc1C(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1
66969 COc1ccccc1CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
66970 COC(=O)CCC(=O)c1ccc(OC)c(Cl)c1
66971 CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(C)noc1C
66972 CCCCC1CCC(CC1)C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O |(6.27,9.42,;5.28,8.24,;5.8,6.79,;4.81,5.61,;5.34,4.16,;4.35,2.98,;4.88,1.54,;6.39,1.27,;7.38,2.45,;6.86,3.9,;6.92,-.18,;8.25,.59,;6.92,-1.72,;5.59,-2.49,;4.07,-2.76,;3.54,-4.2,;3.08,-1.58,;8.25,-2.49,;8.25,-4.03,;6.92,-4.8,;9.59,-4.8,;9.59,-6.34,;10.92,-7.11,;12.26,-6.34,;13.59,-7.11,;13.59,-8.65,;12.26,-9.42,;10.92,-8.65,;10.92,-4.03,;12.26,-4.8,;10.92,-2.49,;9.59,-1.72,;9.59,-.18,)|
66973 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1N1CCCC1
66974 Clc1cccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1Cl
66975 [H][C@]12COc3cc(OC)ccc3[C@]1([H])N1C(=O)c3ccc(C)cc3NC(=O)[C@@]1(C)[C@H]2C(=O)OCC
66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
66977 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25|
66978 CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
66979 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
66980 CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC
66981 OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O
66982 CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(O)=O
66983 CN1CCc2cccc(Cl)c2CC1
66984 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC2CCCCC12
66985 Cc1ccc(C)c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
66986 CC(C)N(C(C)C)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CCCCC1
66987 CC(Sc1nc(C)c(C)c(C)c1C#N)C(=O)NC1(CCCCC1)C#N
66988 Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1F
66989 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc(C)cc1
66990 CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1c(C)onc1CC
66991 [H]C12CCC([H])(C1)C(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)C2 |TLB:8:7:6:3.2|
66992 CCOc1ccccc1OCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+]([O-])=O
66993 COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccccc1C(=O)NC1CC1
66994 Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)c(Br)c1 |w:17.17|
66995 CC(C)Oc1ccc(cc1)C(=O)OCC(=O)NC1CCCCCC1
66996 Cc1ccc(NC(=O)Cn2c3ccccc3ncc2=O)cc1S(=O)(=O)N1CCOCC1
66997 Fc1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1
66998 COc1ccc(cc1S(=O)(=O)N1CCCCC1C)C(=O)Nc1ccc(NC(C)=O)cc1
66999 COc1ccc(OC)c(c1)S(=O)(=O)NC(C)c1ccc(cc1)-n1ccnc1
67000 Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
67001 Fc1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1
67002 Brc1ccc(cc1)C(=O)NCC(=O)NC1CC1
67003 [Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCC[NH3+])n1cc(CCC(O)=O)nn1
67004 Cc1ccc(cc1C(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)N1CCCC1
67005 Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)C1CC1
67006 Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
67007 COc1ccccc1C(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
67008 CC(C)(C)c1ccccc1OC(=O)C(=C)c1ccccc1
67009 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)C[C@@]3(CC4=NO)CCC12
67010 CCN(CC)CCCCNc1ncc2CN(C(=O)N(Cc3ccc(NC(=O)C=C)cc3)c2n1)c1c(Cl)c(OC)cc(OC)c1Cl
67011 FC(F)(F)c1cc(ccc1Cl)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)N1CCN(CC1)c1ncccc1C#N
67012 Fc1ccc(c(OCc2ccccc2)c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC[C@H]1CCCO1
67013 COc1ccc(OC[C@@H](O)CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)-c2ccc(F)cc2OCc2ccccc2)cc1
67014 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC[C@@H]1CCCO1
67015 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCCOc1ccccc1
67016 COc1ccc(NC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)-c2ccc(F)cc2OCc2ccccc2)cc1
67017 CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(C2)c1c(C)noc1C |c:16,THB:12:11:6:8.9|
67018 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1)c1ccc(F)cc1F |t:4,TLB:2:4:11:8.9|
67019 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1cccc(OC(F)(F)F)c1
67020 Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccccc2)c2ccccc12
67021 CC(C)(C)OC(=O)n1cc(CCO)c2ccccc12
67022 Cc1ccccc1[C@]1(C)ON(C1=O)c1ccccc1C(F)(F)F
67023 [O-][N+](=O)c1cccc(CC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)c1
67024 CN(C1CC1)C(=O)c1ccc(NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)cc1
67025 CN(CCc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(c2)[N+]([O-])=O)c1
67026 CC(=O)Nc1ccc(SCCN2CC[C@H](CCC2=O)C(C)(C)C)cc1
67027 CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)C(C)(C)C)cc1
67028 [H][C@@]12CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]3CC(C)=CC4(O[C@H](C[C@@](C)(O)CO)CCC4O)O3)O[C@@]1([H])C(O)C(=C)[C@H](O2)C(O)CC(C)[C@H]1OC2(CCCCO2)CCC1C |c:17|
67029 C[C@H]1C[C@@H]2O[C@H]2\C=C\CC\C=C(C)\C(=O)O[C@@H](C)C[C@@H](C)[C@H](O)[C@@H](O)C(=O)C[C@@H](O)C[C@@](C)(O)\C(C)=C\C(=C)C1 |c:11,t:7,36|
67030 [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
67031 Cn1nnnc1Sc1ncnc2scc(-c3cccc4c5ccccc5sc34)c12
67032 COc1cc2cnc(-c3ccccc3)c(-c3cccc(c3)C(F)(F)F)c2cc1OC
67033 COc1ccc(cc1)-c1oc(=O)c2cc(OC)c(OC)cc2c1\C=C\c1cccc(c1)[N+]([O-])=O
67034 [H][C@]12COc3ccc(OC)cc3[C@]1([H])N1C(=O)CN(CC3CCCO3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC
67035 CCCNC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1
67036 CCCNC(=O)C(Cc1ccccc1F)NC(=O)c1ccccn1
67037 Cc1nc(SCc2nc3c(cccc3[nH]2)[N+]([O-])=O)c2oc3ccccc3c2n1
67038 CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCC1
67039 FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCCC1
67040 FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl
67041 O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(\C=C\c3ccccc3)cc1S2(=O)=O
67042 CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl
67043 COc1ccc(cc1)[C@H]1CC(=O)C=C(C1)c1ccccc1C(F)(F)F |c:13|
67044 FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Br
67045 CC1(C)C[C@H](O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1 |c:14|
67046 CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cccc2ccccc12
67047 Cc1cc(NC(=O)COC(=O)[C+]2CCC(=O)N([N-]2)c2ccccc2)c(cc1C)[N+]([O-])=O
67048 COc1ccc(cc1)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)NCc1ccco1)N(C)C
67049 OC(=O)CCC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1 |w:6.6|
67050 CCOc1ccc(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)cc1 |w:18.18|
67051 [O-][n+]1ccccc1SCC(=O)NC1CCCCC1
67052 CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@@H](O2)C1=CC(=O)O[C@H]1OC(C)=O |t:30|
67053 CC(=O)OC[C@]12CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)CCC[C@]34C)[C@@H]1C[C@H](O2)C1=CC(=O)O[C@@H]1OC(C)=O |t:30|
67054 CC(C)(C)OC(=O)C[C@@H](CC=C)C(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@@H](CC=C)CC(=O)N[C@@H](CO)Cc1ccccc1
67055 CCCN1C(=O)C(=O)c2cc(C)ccc12
67056 Cc1ccc2N(Cc3ccc(Br)cc3)C(=O)C(=O)c2c1
67057 Cc1ccc2N(Cc3ccc(Cl)cc3)C(=O)C(=O)c2c1
67058 COc1cc2sc(c(C(=O)NCCCCO)c2cc1OC)-c1ccc(cc1)S(C)(=O)=O
67059 C(CN1CCOCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
67060 C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
67061 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2c(C)noc2C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
67062 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O
67063 C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O
67064 C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(cc2)-c2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O
67065 COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N(C[C@@H]1C)[C@H](C)CO
67066 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3cn(C)cn3)cccc2C1=O
67067 C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O
67068 CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1
67069 COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2N2CCOCC2)cc1
67070 CC(C)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
67071 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
67072 CN(c1ccc(OCC(=O)NC2CCC(O)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 |(5.75,6.78,;7.08,6.01,;7.08,4.47,;8.41,3.7,;8.41,2.16,;7.08,1.39,;7.08,-.15,;5.75,-.92,;5.75,-2.46,;7.08,-3.23,;4.41,-3.23,;4.41,-4.77,;5.75,-5.54,;5.75,-7.08,;4.41,-7.85,;4.41,-9.39,;3.08,-7.08,;3.08,-5.54,;5.75,2.16,;5.75,3.7,;8.41,6.78,;7.64,8.12,;9.18,5.45,;9.75,7.55,;11.08,6.78,;12.42,7.55,;12.42,9.09,;13.75,9.86,;11.08,9.86,;9.75,9.09,)|
67073 Cc1cc(C)n2nc(SCC(=O)NC(=O)c3ccccc3)nc2n1
67074 CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cccc(c1)S(N)(=O)=O
67075 Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(cc1)S(C)(=O)=O
67076 OC(=O)COc1ccccc1CN=Nc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[N+]([O-])=O |w:13.14|
67077 COc1ccc(CCNC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1
67078 CCC(C)Nc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1
67079 NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1
67080 CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)c(F)c1
67081 Cc1ccc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)cc1C
67082 FC(F)(F)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
67083 O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1
67084 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
67085 Brc1ccccc1C(=O)OCC(=O)NC1CCCCCCC1
67086 COc1cc(NS(=O)(=O)c2cc(ccc2OC)C(=O)NCCc2ccccn2)cc(OC)c1
67087 COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
67088 Fc1cc(Br)ccc1OCC(=O)NCC1(CCCCC1)N1CCCCC1
67089 NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
67090 COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCN(CC1)c1ccc(O)cc1
67091 CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(Cc1ccccc1)C2=O)C(=O)OC)C(=O)c1ccc(F)cc1
67092 CC(C)(C)[C@H](N)C(=O)N[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
67093 CN1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
67094 O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O)c1ccco1
67095 O=C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
67096 O=C(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
67097 Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
67098 COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
67099 CCOc1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1
67100 Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1
67101 Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
67102 Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
67103 CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)-c1cccc(c1)[N+]([O-])=O
67104 OC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12
67105 Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc2)cc1
67106 COc1ccc(C)cc1NC(=O)C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
67107 CCOc1ccccc1NC(=O)C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1
67108 COc1cccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1
67109 FC(F)(F)c1cc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)ccc1Cl
67110 CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
67111 CC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(C)cc1)c1ccccc1
67112 Cc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1
67113 Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc2)cc1
67114 Fc1ccc(NC(=O)C(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1
67115 Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c2ccccc2)cc1
67116 Cc1ccc(C)c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c2ccccc2)c1
67117 CC(N1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1
67118 NC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
67119 CCC(N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)C(=O)Nc1ccccc1
67120 Cc1nn(-c2ccc(cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc12
67121 CN(Cc1ccccc1N1CCCC1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12
67122 CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)Nc1ccc(F)c(F)c1
67123 Cc1ccc(cc1Cl)-n1nc(C(O)=O)c2ccccc2c1=O
67124 CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12
67125 CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12
67126 COC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12
67127 CCOC(=O)Nc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1
67128 Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2cc1Cl
67129 Cc1ccc2oc(=O)cc(CSc3nc(-c4ccccc4)c4ccccc4n3)c2c1
67130 CCC(C)c1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1
67131 O=C(OCC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12
67132 Fc1ccccc1-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1
67133 Fc1ccc(cc1F)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1
67134 CCOc1ccc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2c1
67135 O=c1n(Cc2nc(cs2)-c2ccc[nH]2)c(CN2CCOCC2)nc2ccccc12
67136 COc1cccc(c1)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1
67137 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
67138 COc1cc2nc(CN3CCOCC3)n(Cc3nnc(o3)-c3ccc(Cl)cc3)c(=O)c2cc1OC
67139 COc1cc2nc(CN3CCOCC3)n(Cc3coc(n3)-c3ccccc3)c(=O)c2cc1OC
67140 COc1cc2nc(CN3CCOCC3)n(Cc3cc(no3)-c3ccccc3OC)c(=O)c2cc1OC
67141 CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)C(C)(C)C
67142 CN1c2ccccc2Sc2cc(ccc12)C(=O)c1ccccc1
67143 CN1c2ccc(Br)cc2Sc2cc(ccc12)C(=O)c1ccccc1
67144 CN1c2ccccc2Sc2cc(ccc12)C(=O)c1ccc(cc1)N=[N+]=[N-]
67145 CN1c2ccc(Br)cc2Sc2cc(ccc12)C(=O)c1ccc(cc1)N=[N+]=[N-]
67146 CN1c2ccc(N)cc2Sc2cc(ccc12)C(=O)c1ccccc1
67147 Cc1ccc2n(nnc2c1)C1CCN(CC(=O)NCCc2nc3ccccc3[nH]2)CC1
67148 ON1[C@H]2CCCC[C@H]2N(O)C1c1ccc(Cl)cc1Cl
67149 CC(C)CCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc12
67150 CCn1c(=O)cc(NC2=NCC(C)CN2c2cccc(Cl)c2)n(C)c1=O |t:8|
67151 COc1cccc(c1)N1CC(C)Cn2c1nc1n(C)c(=O)n(CCN3CCOCC3)c(=O)c21
67152 COC(=O)c1ccc(NCC(=O)c2ccccc2)cc1
67153 Fc1ccc(CC(=O)OCC(=O)c2cc3ccccc3o2)cc1
67154 Cn1c(=O)c(C(=S)NC(=O)C2CC2)c(N)n(Cc2ccccc2)c1=O
67155 COc1cccc2sc(Nc3nc(C)c(s3)C(C)=O)nc12
67156 CCOc1ccc(CCNC(=O)c2cccnc2N2CCCC2)cc1OCC
67157 CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1 |c:17,t:1|
67158 CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(O)cc2O)C(=O)CC(C)(C)C1 |c:6,11|
67159 CC(C)OC(=O)CN1C(=O)C(=O)c2ccccc12
67160 CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:27,t:13|
67161 Clc1ccc(cc1Cl)C(=O)COC(=O)Cn1nnc2ccccc12
67162 Clc1ccc(cc1Cl)C(=O)COC(=O)c1cccnc1
67163 Cc1cccc2C(=O)C(=O)N(CCCOc3ccccc3)c12
67164 Clc1ccccc1-c1ccc(C=NNS(=O)(=O)c2ccccc2)o1
67165 Clc1ccccc1C1c2ccccc2CCNC1=S
67166 COc1ccc2O[C@@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1
67167 COc1ccc2O[C@H](C(=O)C(O)c2c1)c1ccc(OC)c(Br)c1
67168 Oc1cccc2ccc(\C=C\c3cccs3)nc12
67169 COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
67170 CC1CC2=C(CC1C=NNC(N)=S)C(C)(C)CCC2 |w:8.9,c:3|
67171 Oc1ccc2c(oc(=O)c3ccccc23)c1CN(CC=C)CC=C
67172 CC1(C)Cc2c(CS1)c(nc1sc3c(NN)ncnc3c21)N1CCOCC1
67173 CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2CCCc12
67174 Cc1c(Cl)cccc1NC(=S)NNc1ncc(cc1Cl)C(F)(F)F
67175 OCC1(CO)COC(=O)C(NNc2cc(Cl)ccc2Cl)=N1 |c:20|
67176 Clc1ccc(C(=O)COC(=O)c2cccnc2Cl)c(Cl)c1
67177 COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)nc(OC)n1
67178 Brc1ccc2=NC(=O)C(Nc3ccc(cc3)-c3nnc4CCCCCn34)=c2c1 |c:28,t:4|
67179 Cc1ccccc1NC(=S)NNc1ncc(cc1Cl)C(F)(F)F
67180 COc1ccc(NS(=O)(=O)c2cc(ccc2N=[NH+]Cc2c(C)[n-]c3ccccc23)[N+]([O-])=O)cc1 |w:16.16|
67181 CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
67182 CC(C)NC(=S)NN=C1CCCCC1C1CCCCC1 |w:7.6|
67183 N#C\[#6](=[#6]\[#6]-1=[#6]-2-[#8]-[#6](=[#6]-[#6](=[#6]-2-[#6]-[#6]-[#6]1)-c1ccccc1)-c1ccccc1)C#N |c:4,7,9|
67184 CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
67185 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)Nc1ccccc1Cl
67186 Clc1ccc(C(=O)COC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2cccc3ncccc23)c(Cl)c1
67187 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl
67188 OCC1(CO)COC(=O)C(NNc2ccc(Cl)c(Cl)c2)=N1 |c:20|
67189 NNc1nc(cc(n1)-c1ccccc1O)-c1ccccc1
67190 FC(F)(F)c1cnc(NNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1
67191 ClCC(=O)NNc1cccc(Cl)n1
67192 CN1C(=c2sc(=C3C(Nc4ccccc4)=NN(C3=O)c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc12 |w:2.1,6.6,c:15|
67193 CCCCNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
67194 Cc1ccc(cc1)C(=O)CNc1ccc(Br)cc1
67195 Cc1ccc(NCC(=O)c2ccccc2)cc1Cl
67196 FC(F)(F)c1cccc(Sc2nc(nnc2C(F)(F)F)-c2ccccc2)c1
67197 CCCCN(CCCC)C(=S)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:12.11|
67198 Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)c2c1
67199 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)Cc1ccccc1
67200 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
67201 COc1ccc(NC2(C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)cc1
67202 [O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccc(Cl)cn1
67203 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)C(c1ccccc1)c1ccccc1
67204 CC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 |w:2.2|
67205 Clc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
67206 Brc1ccc(NCC(=O)c2ccccc2)cc1
67207 Clc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc3cccnc23)c(Cl)c1
67208 Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5Cl)nc4O3)c2c1
67209 FC(F)(F)c1ccc(Cl)c(NC(=O)CCCC(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1
67210 Cc1ccccc1NCC(=O)c1ccc(Br)cc1
67211 Brc1ccc(cc1)C(=O)NN=Cc1ccccn1
67212 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)Cc1ccccc1
67213 Cc1ccc(cc1)C(=O)NCC(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
67214 Cc1cc(C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)c2ccccc2n1
67215 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)Cc1ccccc1
67216 COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccco1
67217 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CCC(=O)Nc1ccccc1Cl
67218 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)c1cc2ccccc2oc1=O
67219 CN(\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccccc1
67220 Cc1ccc(cc1)C(=O)CNc1ccc(C)c(Cl)c1
67221 [H]C12CCC([H])(C1)C1C2C(=O)N(C(C)C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:9:8:6:3.2,THB:29:7:6:3.2|
67222 [H]C12CCC([H])(C1)C1C2C(=O)N(CC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:28:7:6:2.3,THB:9:8:6:2.3|
67223 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1
67224 CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1cccnc1
67225 Cc1ccc(cc1)C(=O)CNc1cccc(Cl)c1
67226 Brc1ccc2[nH]c(=S)n(Cc3ccccn3)c(=O)c2c1
67227 Cc1ccc(NC(=S)NNC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)cc1Cl
67228 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl
67229 Clc1ccc2[nH]c(=S)n(Cc3ccccn3)c(=O)c2c1
67230 CCC[N+](CCC)(CC#Cc1ccccc1)CC(=O)c1ccc(Cl)cc1
67231 CCCSc1cc(NCCOC(=O)CCC)c([N+]([O-])=O)c2nonc12
67232 CC(C)N1CCc2c(C1)sc(NC(=O)c1cc(nc3ccccc13)-c1cccs1)c2C(N)=O
67233 CCC1CCCCN1CC(=O)c1ccc(OC(F)F)cc1
67234 COC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccc(OC)cc1
67235 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2c(C)onc2-c2ccccc2)cc1
67236 Cc1cccc(NC(=S)NNc2ncc(cc2Cl)C(F)(F)F)c1
67237 COc1ccc(cc1)\N=C1\C(=O)N2c3c1cccc3C(C)=CC2(C)C |c:23|
67238 COc1ccc(cc1)C(=O)NC(=S)Nc1nnn(C)n1
67239 Cc1csc(NC(=S)Nc2cccc(Cl)c2)n1
67240 S=C(NN=Cc1ccccc1)N1CCOCC1 |w:3.2|
67241 Cc1cccc(NC(=S)NN=C2CCCCc3ccccc23)c1 |w:10.9|
67242 COc1cc(cc(OC)c1OC)C(=O)NN=C(c1ccccc1)c1ccccn1
67243 CCN(CC)c1ccc(cc1)C(=O)NC(=S)Nc1cc(ccc1-n1cncn1)S(=O)(=O)N1CCOCC1
67244 CCc1cc2c(nc([nH]c2=O)-c2ccccn2)s1
67245 Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1Br
67246 Cc1nn(CCC(=O)NNC(=S)Nc2ccccc2)c(C)c1Br
67247 Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O
67248 Cn1cccc1\C=C(\C#N)C(N)=S
67249 Cc1ccc(C=NNC(=S)N2CCOCC2)cc1 |w:6.6|
67250 CCOC(=O)c1[nH]nc(C(O)c2ccc(Cl)cc2)c1-c1ccccc1
67251 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)c1ccncc1
67252 Cc1ccc(cc1)C(=O)CNc1ccccc1C
67253 Fc1ccc(CSc2nnc(NC(=O)c3cnccn3)s2)cc1
67254 CCN1C(=O)C(N(C)C1=S)=c1sc(=C2Sc3cc(OC)ccc3N2C)c(=O)n1CC=C
67255 COc1cc(\C=C2/SC(=S)N(N3CCOCC3)C2=O)ccc1O
67256 Fc1ccc(NCC(=O)c2ccccc2)cc1
67257 CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccnc2)c1
67258 COc1ccc(C(=O)\C=C\C(=O)N(CC2CCCO2)CC(=O)NC2CCCCC2)c(O)c1
67259 CN(C)c1ccc(\C=C2/[NH+]=C([N-]C2=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1 |c:9|
67260 Fc1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1
67261 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)c1cnccn1
67262 NC(=S)NNC(=S)Nc1ccccc1
67263 Nc1c(N2CCCC2)c2ccccc2oc1=O
67264 COC(=O)CSc1[nH]c2ccc(Br)cc2c1[N+]([O-])=O
67265 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O
67266 CCn1c2ccccc2c(Cl)c([N+]([O-])=O)c1=O
67267 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
67268 CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1
67269 CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c(c2)[N+]([O-])=O)cc1
67270 NNc1nc(cc(n1)-c1ccccc1)-c1ccccc1
67271 Clc1ccc(cc1Cl)C(=O)COC(=O)c1ccncc1
67272 Clc1ccc(cc1)C(=O)C[N+]1(CC#Cc2ccccc2)CCOCC1
67273 CCN1CCN(CC1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
67274 CC1(C)CC2(CC(c3ccccc3F)c3cc(Cl)c(O)cc3O2)NC(=S)N1
67275 Cc1ccc(cc1C)N=Nc1ccc(O)c2ncccc12 |w:8.8|
67276 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:6:5:10.9:2,30:9:2:7.5,THB:8:7:10.9:2,11:10:2:7.5|
67277 [O-][N+](=O)c1cccc([CH+][N-]NS(=O)(=O)c2ccccc2)c1
67278 CCCCCC1CCC(CC1)c1n[nH]c(=S)n1C |(3.08,-7.2,;3.08,-5.66,;4.41,-4.89,;4.41,-3.35,;5.75,-2.58,;5.75,-1.04,;7.08,-.27,;7.08,1.27,;5.75,2.04,;4.41,1.27,;4.41,-.27,;5.75,3.58,;4.5,4.49,;4.98,5.95,;6.52,5.95,;7.42,7.2,;6.99,4.49,;8.46,4.01,)|
67279 CN(C)CCN(Cc1ccco1)C(=O)c1cc2c(Cl)nc3ccccc3c2s1
67280 COc1ccc(cc1)C(=O)CNc1ccccc1CO
67281 FC(F)(F)c1cnc(NNC(=S)Nc2cccnc2)c(Cl)c1
67282 [O-][N+](=O)c1ccc(Cl)cc1C(=O)Nc1nc(cs1)-c1ccccn1
67283 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCc1ccccc1
67284 Fc1ccc(NC(=S)NNc2ncc(cc2Cl)C(F)(F)F)c(F)c1
67285 [H]C12CCC(C)(C(C1)=NNC(=S)Nc1cccc(OC)c1)C2(C)C |w:8.9,TLB:8:6:21:3.2|
67286 CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
67287 CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O
67288 CC(=NNC(=O)COc1ccccc1-c1ccccc1)c1ccccn1 |w:2.2|
67289 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1cc2ccccc2o1
67290 [O-][N+](=O)c1cccc(c1)C(=O)C[n+]1ccc(cc1)-c1cc(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2n1
67291 Cc1ccc(cc1)S(=O)(=O)NN=Cc1ccc2nccnc2c1
67292 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)c1cnccn1
67293 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)c1cnccn1
67294 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CNC(=O)c1ccc(Br)o1
67295 Brc1ccc(cc1)\N=N\c1ccc2ccccc2n1
67296 [O-][N+](=O)c1cccc(c1)C(=O)COC(=O)CCC(=O)NC1CCCCC1
67297 CC(C)c1nc(C#N)c(NN)o1
67298 Oc1ccc(cc1\C=C1\SC(NS(=O)(=O)Cc2ccccc2)=NC1=O)[N+]([O-])=O |c:23|
67299 [O-][N+](=O)c1c(Nc2ccccn2)cc(Cl)c2nonc12
67300 Cc1nnsc1C(=O)NNc1ccc(cc1)C(C)(C)C
67301 Cc1cc(no1)C(=O)NNc1ccc(C)c(C)c1
67302 CCc1ccc(cc1)C(=O)NNc1ccc(C)c(Cl)c1
67303 Clc1ccsc1C(=O)NNc1ccc(Cl)cc1
67304 Cc1noc(C)c1C(=O)NNc1ccc(C)c(Cl)c1
67305 CC(C)c1ccc(NNC(=O)c2c(C)noc2C)cc1
67306 CCc1ccc(cc1)C(=O)NNc1ccc(Cl)cc1
67307 OC(=O)c1ccccc1NCC(=O)c1ccccc1
67308 Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
67309 Clc1ccc(NC(=S)NNC(=O)CN2c3ccccc3Sc3ccccc23)cc1
67310 Clc1cc(Cl)cc(c1)C(=O)NNc1ccc(cc1)-c1csnn1
67311 CCNC(=S)NNc1nnc(-c2ccccc2)c(n1)-c1ccccc1
67312 COc1ccc(cc1OC)-c1cc(nc(NN)n1)-c1ccccc1
67313 Cc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)\C=C\c1ccncc1
67314 Clc1cccc(NCC(=O)c2ccc(Br)cc2)c1
67315 NNc1nc(cc(n1)-c1ccc(Br)cc1)-c1ccccc1
67316 Cc1ccc(cc1)-c1cc(nc(NN)n1)-c1ccccc1
67317 OC(=O)c1cccc(NC(=S)NC(=O)c2cncc(Br)c2)c1
67318 Cc1cccc2=C(Nc3ccc(Cl)cc3)C(=O)N=c12 |c:5,t:18|
67319 CSc1cccc(NC2=c3ccccc3=NC2=O)c1 |c:8,15|
67320 COc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:7,16|
67321 Cc1ccc(cc1)C(=O)CNc1cc(C)ccc1C
67322 CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNNC(N)=O)C1=O |w:16.18|
67323 Cc1cccc(NC2=c3cccc(Cl)c3=NC2=O)c1 |c:7,15|
67324 Cc1ccc(NC2=c3cccc(C)c3=NC2=O)cc1 |c:6,14|
67325 Brc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
67326 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cc2ccccc2oc1=O
67327 Cc1ccc(C)c(NCC(=O)c2ccc(Cl)cc2)c1
67328 CC(=O)c1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:8,15|
67329 CC1=[NH+]N(C(=O)\C1=C/c1ccc(o1)-[c-]1cc(ccc1=O)[N+]([O-])=O)c1ccc(C)cc1 |t:1|
67330 COc1cccc(c1)N1CC(C)Cn2c1nc1n(C)c(=O)[nH]c(=O)c21
67331 CCCN(CCC)c1nc(nc2ccccc12)-c1ccccn1
67332 Oc1cccc2ccc(\C=C\c3ccccc3Cl)nc12
67333 CN(C)c1ccc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2c1
67334 COc1cccc(c1)\[NH+]=C1/[N-]C(=O)\C(S1)=C\c1cc(ccc1O)[N+]([O-])=O
67335 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(cc1)[N+]([O-])=O |w:10.10|
67336 CCOc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:8,17|
67337 CC(=NNC(=O)c1ccc(F)cc1)c1ccccn1 |w:2.2|
67338 CC(=O)Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
67339 CCN1C(=S)S\C(=C\c2cccc(OC)c2Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C1=O
67340 CCOc1cccc(\C=C\c2ccc3cccc(O)c3n2)c1OC
67341 NC(=O)c1ccccc1NCC(=O)c1ccc(F)cc1
67342 Fc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
67343 Cc1cccc(C=NNC(=O)c2cccc(Cl)c2)n1
67344 COc1ccccc1NCC(=O)c1ccc(Cl)cc1
67345 Cc1ccc(cc1)C(=O)CNc1ccccc1
67346 Brc1ccc(s1)C(=O)CNc1ccc(Br)cc1
67347 COc1ccc(cc1)C(=O)CNc1cccc(F)c1
67348 Cc1[n-]n(C(N)=S)c(=O)c1N=[NH+]c1ccc(cc1Cl)[N+]([O-])=O |w:11.12|
67349 Cc1ccc(NC2=c3cc(Br)ccc3=NC2=O)cc1 |c:6,14|
67350 NC(=O)c1ccccc1NCC(=O)c1ccc(Cl)cc1
67351 Cc1ncc(C=O)c(CNNc2ccc(cn2)C(F)(F)F)c1O
67352 Fc1ccc(NC(=O)Nc2nc(cs2)-c2ccccn2)c(F)c1
67353 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)OCC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)C1=O |c:5,TLB:29:7:2:6.5,THB:9:8:2:6.5|
67354 CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
67355 Fc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
67356 OC(=O)c1ccccc1N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:10.10|
67357 [H]C12CC([H])(C(Br)C1Br)C1C2C(=O)N(CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |TLB:8:7:9.10:2,11:10:2:5.7,THB:6:5:9.10:2,31:9:2:5.7|
67358 [H]C12CC([H])(C=C1)C1C2C(=O)N(C(C)C(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)C1=O |c:5,TLB:29:7:2:5.6,THB:9:8:2:5.6|
67359 COc1ccc(OC)c(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
67360 CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1
67361 COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
67362 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:23|
67363 COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
67364 [O-][N+](=O)c1cc(ccc1Cl)C(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1
67365 O=C(COC(=O)c1ccco1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
67366 Cc1ccc(OCC(=O)OCC(=O)c2cccc(c2)[N+]([O-])=O)cc1C
67367 Cn1nnc(NC(=S)NC(=O)c2cccc3ccccc23)n1
67368 Cc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(Cl)c1
67369 Cn1nnc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)n1
67370 COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NNc1nc(C)cc(C)n1
67371 [O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)CCCC(=O)Nc2cccc(Br)c2)c1
67372 Cc1ccc(cc1[N+]([O-])=O)C(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:23|
67373 CC(=NNC(=O)c1cccc2ccccc12)c1ccccn1 |w:2.2|
67374 Clc1ccccc1C(=O)NN=C(c1ccccc1)c1ccccn1
67375 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12)c1nc2cc(C)cc(C)c2s1
67376 COc1ccc(cc1Br)S(=O)(=O)NNc1nc(C)cc(C)n1
67377 CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
67378 CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(C)on3)nc2c1
67379 Cc1cc(C)nc(NNS(=O)(=O)c2ccc(F)c(Cl)c2)n1
67380 CC(=O)Nc1cccc(c1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
67381 O=C(COc1ccccc1)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
67382 CC(=NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccn1 |w:2.2|
67383 Brc1ccc(o1)C(=O)OCC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
67384 COc1ccc(CC(=O)OCC(=O)c2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
67385 CCC1Nc2ncnc(N3CCCCC3)c2N(Cc2ccc(Cl)cc2)C1=O
67386 COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1cccc(F)c1)=NCC(C)C |w:25.28,c:4|
67387 Clc1ccc(C(=O)COC(=O)c2ccccn2)c(Cl)c1
67388 Cc1cc(C)nc(NNS(=O)(=O)c2c(F)cc(F)cc2Br)n1
67389 Cn1c(N)c(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(=O)n(C)c1=O
67390 OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
67391 Cc1ccc2N(C(=O)C(=O)c2c1)c1ccc(Cl)cc1
67392 COc1ccc(NC(=O)Nc2cccc3c2O[C@@H](CN(C)CC2CCCCC2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1
67393 Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Cl)cc2)n1
67394 O=C(NN=C(c1ccccc1)c1ccccn1)c1ccccc1
67395 COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)c1ccc(C)c(c1)[N+]([O-])=O
67396 CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|
67397 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45C(Oc1c24)C(=O)C(C[C@@]35O)=Cc1ccccc1 |w:25.31|
67398 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1
67399 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccccc1
67400 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccc(Cl)cc1
67401 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
67402 Nc1cc(nn1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)-c1ccc(Cl)cc1
67403 CCCCn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
67404 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(OC(F)(F)F)cc1
67405 CC(C)c1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
67406 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1
67407 Nc1nc2ccccc2n1S(=O)(=O)c1cccc2ccccc12
67408 Cc1ccccc1S(=O)(=O)n1c(N)nc2ccccc12
67409 Nc1nc2ccccc2n1S(=O)(=O)c1ccccc1C#N
67410 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1
67411 Nc1cc(nn1S(=O)(=O)c1ccc(F)c(Cl)c1)-c1ccccc1
67412 COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
67413 COc1ccc(cc1)-c1cc(N)n(n1)S(=O)(=O)c1ccc(F)c(C)c1
67414 CN(C(c1c[nH]c2ccccc12)c1ccccc1)C(=O)c1ccccc1
67415 CC(C)C(=O)N(C)C(c1c[nH]c2ccccc12)c1ccccc1
67416 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
67417 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(cc1)C#N
67418 COc1ccc2nc(N3CCC(O)CC3)c(cc2c1)C#N
67419 CN1CC2=Cc3ccccc3OC22Oc3ccccc3C=C2C1 |c:23,t:3|
67420 CC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:10|
67421 COc1ccc(C=Nc2c(nc3ccccn23)-c2ccco2)cc1OC
67422 CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F
67423 Clc1ccc(C=Nc2c(nc3ccccn23)-c2ccco2)cc1
67424 Cc1nnc(C)n1N=Cc1cccc(CC=C)c1O |w:7.7|
67425 CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N(Cc1ccccc1)c1ccc(F)cc1
67426 CCOC(=O)c1cc2n(C)ccc2n1CC(=O)N(Cc1ccccc1)c1ccccc1
67427 CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(F)cc2)c1
67428 [O-][N+](=O)c1ccccc1\C=C(/C#N)C(=O)NCC=C
67429 Cc1ccc(cc1)N1CCN(CC1)c1ccc(NCc2nc3ccccc3n2C)cc1
67430 Cc1oc2c(cc(NS(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)Nc1ccccc1
67431 Nc1c(nc2ccccn12)-c1cccc(c1)[N+]([O-])=O
67432 FC(F)(F)c1nc2cc3ccccc3cc2[nH]c1=O
67433 COc1ccc(NC(=O)Cc2ccccc2)cn1
67434 Nc1cccc2C(=O)N(Cc3cccc(Cl)c3)C(=O)c12
67435 COc1ccc(\C=C(/CC(O)=O)c2nc3ccccc3s2)cc1O
67436 CC1CN(CC(C)O1)C1=Nc2cccc3cccc1c23 |t:9|
67437 COc1cc(O)cc2cc3OC(C)(O)CC(=O)c3c(O)c12
67438 C1CN(CCO1)C1=Nc2cccc3cccc1c23 |t:7|
67439 CC(=O)Nc1ccc2nc3ccccc3nc2c1
67440 CCOc1cc(cc(Br)c1O)C1C(=CN(C=C1C(=O)OC)C1CCCC1)C(=O)OC |c:13,16|
67441 Cc1ccc[n+](c1)-c1[n-]c(=O)sc1CN=Nc1ccc(cc1)[N+]([O-])=O |w:15.17|
67442 O=C1CC(=O)c2cccc3cccc1c23
67443 Nc1nnnn1N=Cc1cc(Cl)ccc1O |w:6.6|
67444 Cc1c(O)ccc2cc(c(=O)oc12)S(=O)(=O)c1ccccc1
67445 OC(=O)c1ccccc1N=Nc1ccc(O)cc1 |w:9.9|
67446 COc1ccc(N2CCCC2)c(NC(=O)c2ccc(Br)o2)c1
67447 Cc1ccc(o1)C(=O)N\N=C\c1ccc(o1)-c1ccc(Br)cc1[N+]([O-])=O
67448 CC(C)CCN(C(=O)CCCSc1nc2ccccc2[nH]1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
67449 FC(F)(F)c1cc(=O)oc2cc(OC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc12
67450 CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)NCc1ccco1
67451 CN(C1CCCCC1)C(=O)CN1C(=O)c2cccc(N)c2C1=O
67452 COc1ccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(C)=O)cn1
67453 Nc1ncc[nH]1.[H][C@@]12CC[C@@H](C(C)CCC(C)C(C)(C)C)[C@@]1(C)CC[C@@]1([H])C2C[C@H](OS(O)(=S)=S)[C@@]2([H])C[C@H](OS(O)(=S)=S)[C@H](C[C@]12C)OS(O)(=S)=S
67454 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
67455 COc1ccc(CN=Nc2c(Cl)cncc2Cl)c(OC)c1OC |w:7.6|
67457 O=C(CCC(=O)Nc1ccccc1)Nc1ccccc1
67458 COc1cc(ccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
67459 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
67460 COc1ccc(cc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67461 [O-][N+](=O)c1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
67462 COc1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67463 Fc1ccc(NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1
67464 COc1ccccc1OC(=O)c1sc2ccccc2c1Cl
67465 [O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67466 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67467 Clc1ccc2Sc3ccccc3Nc2c1
67468 Clc1c(sc2ccccc12)C(=O)Oc1cccc(c1)-n1cnnn1
67469 Cc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67470 O=C(Cc1ccccc1)NNC(=O)Cc1ccccc1
67471 Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67472 COc1ccc(cc1OC)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67473 OC(=O)c1sc2ccccc2c1Cl
67474 [O-][N+](=O)c1ccc2Nc3cc(ccc3Sc2c1)C(F)(F)F
67475 Clc1ccc(NC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
67476 CSc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
67477 COc1ccc2Nc3cc(Cl)ccc3Sc2c1
67478 c1ccc(cc1)-c1nc(c(o1)-c1ccccc1)-c1ccccc1
67479 CCN(CC)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
67480 Clc1cccc(Cl)c1NNC(=O)c1ccccc1
67481 O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(cc1)N1CCCCC1
67482 Oc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
67483 [O-][N+](=O)c1cccc([CH-]\N=[NH+]\c2c(Cl)cncc2Cl)c1
67484 Clc1cccc(Cl)c1CN=Nc1c(Cl)cncc1Cl |w:10.11|
67485 Clc1cncc(Cl)c1N=NCc1ccccc1 |w:8.8|
67486 Cc1ccc(cc1)S(=O)(=O)c1ccc2Nc3cc(Cl)ccc3Sc2c1
67487 COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(O)cc1
67488 C(N=Nc1ccccc1)c1ccccc1 |w:2.2|
67489 Clc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
67490 COc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67491 COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
67492 FC(F)(F)c1ccc2c(Nc3ccccc3S2=O)c1
67493 COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(OC)c(OC)c1
67494 CC(=O)Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67495 CN(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67496 Cc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67497 [O-][N+](=O)c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
67498 [O-][N+](=O)c1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67499 CC(=O)Nc1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl
67500 CC(=O)Nc1ccccc1OC(=O)c1sc2ccccc2c1Cl
67501 Clc1c(sc2ccccc12)C(=O)Oc1cccc2ccccc12
67502 [O-][N+](=O)c1ccccc1OC(=O)c1sc2ccccc2c1Cl
67503 [O-][N+](=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1
67504 Fc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
67505 [O-][N+](=O)c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67506 COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67507 Clc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67508 Clc1c(sc2ccccc12)C(=O)Oc1ccc(Cl)cc1
67509 Oc1c(Br)cc(CN=Nc2c(Cl)cncc2Cl)cc1Br |w:8.8|
67510 COc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1
67511 Clc1c(sc2ccccc12)C(=O)Oc1ccccc1
67512 COc1ccc2c(Cl)c(sc2c1)C(=O)Oc1ccccc1[N+]([O-])=O
67513 COc1ccc2c(Cl)c(sc2c1)C(=O)Oc1ccccc1Cl
67514 CC(=O)Nc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 |w:10.10|
67515 COc1cc(CN=Nc2c(Cl)c(Cl)nc(C(O)=O)c2Cl)cc(OC)c1OC |w:7.7|
67516 OC(=O)c1nc(Cl)c(Cl)c(\[NH+]=N\[CH-]c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)c1Cl
67517 Ic1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67518 c1ccc(cc1)-c1nnc(s1)-c1ccccc1
67519 c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccccn1
67520 O=C1N=c2ccccc2=C1NNC(=S)Nc1ccccc1 |c:9,t:2|
67521 CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc(O)cc1 |w:3.3|
67522 CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc2OCCOc2c1 |w:2.1|
67523 Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67524 Oc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67525 Fc1ccccc1OC(=O)c1sc2ccccc2c1Cl
67526 Clc1c(sc2ccccc12)C(=O)Oc1ccc(cc1)-c1nnco1
67527 CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc(cc1)N1CCOCC1 |w:2.1|
67528 [O-][N+](=O)c1ccc(OC(=O)c2cc3ccccc3s2)cc1
67529 COc1ccccc1OC(=O)c1cc2ccccc2s1
67530 OC(=O)c1nc(Cl)c(Cl)c(N=NCc2ccccc2)c1Cl |w:10.9|
67531 COc1ccc(NC(=O)Nc2ccc3N(CCc3c2)C(C)=O)cc1
67532 CSc1ccc2Sc3ccccc3Nc2c1
67533 Fc1ccc2Nc3ccccc3Sc2c1
67534 ClC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 |w:3.3|
67535 Fc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
67536 COc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
67537 CC(O)c1ccc2Sc3ccccc3Nc2c1
67538 [O-][N+](=O)c1cc(O[N-][CH+]c2ccccc2)cc(c1)[N+]([O-])=O
67539 CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccncc1 |w:3.3|
67540 COc1cc(ccc1O)-c1nc2c([nH]1)c1ccccc1c1ccccc21
67541 FC(F)(F)Oc1ccc(CN=Nc2c(Cl)cncc2Cl)cc1 |w:11.11|
67542 COc1ccc(NC(=O)Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)cc1
67543 Fc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
67544 CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
67545 CN(C)CCCN1c2ccccc2Sc2ccccc12
67546 Clc1ccc(NC(=S)CCC(=S)Nc2ccc(Cl)cc2)cc1
67547 S=C(NNC(=S)Nc1ccccc1)Nc1ccccc1
67548 COc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 |w:8.8|
67549 [O-][N+](=O)c1ccc([CH-]\N=[NH+]\c2c(Cl)cc(Cl)cc2Cl)cc1
67550 Clc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
67551 COc1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 |w:8.8|
67552 Fc1nc(F)c(F)c(N=NCc2ccc(Br)cc2)c1F |w:8.7|
67553 Fc1nc(F)c(F)c(N=NCc2ccncc2)c1F |w:8.7|
67554 COc1cc(CN=Nc2c(F)c(F)nc(F)c2F)cc(OC)c1O |w:6.5|
67555 CN(CCO)c1ccc(CN=Nc2c(F)c(F)nc(F)c2F)cc1 |w:11.11|
67556 CC(=O)Nc1ccc(CN=Nc2ccccc2)cc1 |w:10.10|
67557 COc1ccc(cc1)C(C)N=Nc1c(F)c(F)nc(F)c1F |w:10.10|
67558 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1
67559 [O-][N+](=O)c1ccc2sc(cc2c1)C(=O)Oc1ccccc1
67560 CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccc(cc1)-n1cncn1 |w:2.1|
67561 Fc1ccc2=C(NNc3c(F)c(F)nc(F)c3F)C(=O)N=c2c1 |c:4,21|
67562 CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1
67563 Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(Cl)cc1C
67564 CCC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccccc1 |w:3.2|
67565 COc1ccc2cc(ccc2c1)C(C)N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl |w:14.15|
67566 COc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1
67567 COc1ccccc1NC(=O)Nc1ncccc1C
67569 CN(C)c1nc2sc3COC(C)(C)Cc3c2c(=O)n1C
67570 O=C1N2C(NC(=O)c3cnn(c23)-c2ccccc2)c2ccccc12
67571 CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1
67572 N1C(c2ccco2)n2c(nc3ccccc23)-c2ccccc12
67573 COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)cc(c1)C(=O)OC
67574 CC1Cc2ccccc2N1C(=O)COC(=O)c1oc2ccccc2c1C
67575 N1C(c2cccnc2)n2c(nc3ccccc23)-c2ccccc12
67576 CCC(Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(O)=O
67577 CN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3ccc(Br)o3)ccc2n1
67578 N(c1nc(cs1)-c1cccnc1)c1cccnc1
67579 O=C(CSc1nc(nc(n1)N1CCCCC1)N1CCCCC1)c1ccccc1
67580 COC(=O)Nc1nnc(Cc2ccccc2)s1
67581 CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O
67582 COC(=O)c1ccccc1NC(=O)N1CCN(C\C=C\c2ccccc2)CC1
67583 Cc1cccc(c1)-c1nc2ccccc2c2nncn12
67584 COc1cc(ccc1O)C1Nn2c(S1)nnc2-c1ccccc1OC
67585 CCCn1c2ccc(cc2c2cc(ccc12)C(C)N=O)C(C)N=O
67586 Brc1ccc(o1)C(=O)Nc1ccccc1-c1ccccc1
67587 COc1ccc(cc1)C(=O)ON=C(C)c1ccccc1
67588 COc1ccc(cc1)C(=O)ON=C(C)c1cccs1
67589 CCn1c2ccc(cc2c2cc(ccc12)C(C)N=O)C(C)N=O
67590 CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n12
67591 O=C(Nc1ccccc1)C(=C/C=C/c1ccccc1)\C#N
67592 Cc1c(\C=C\C(=O)c2ccc(O)cc2)cnn1C
67593 Cc1cccc(c1)C(N)=NOC(=O)c1ccc2OCOc2c1 |w:9.10|
67594 Cc1nn(C)cc1\C=C\C(=O)c1ccc(O)cc1
67595 Cc1sc2ncnc(N=NCc3cccc(O)c3)c2c1C |w:8.7|
67596 Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c(Br)c1
67597 CN1CCN(CC1)C=NC1=NN(CC1)c1cccc(c1)C(F)(F)F |w:8.9,t:10|
67598 CCNC(=S)Nc1ccc2cn[nH]c2c1
67599 CC(C)NC(=S)Nc1ccc2cn[nH]c2c1
67600 CCc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1
67601 Clc1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
67602 Cn1c(\N=N\c2ccccc2)nc2ccccc12
67603 O=[#6]-1-[#6]=[#6]\[#6](=[#6]\[#6]-c2ccnc3ccccc23)-[#6]=[#6]-1 |c:2,19|
67604 OC(=O)Cc1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:10.10|
67605 COc1ccc(cc1)-c1nc(no1)-c1ccccn1
67606 CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)cc1
67607 CCn1cc(\C=C\C(=O)c2ccc(O)cc2)c(C)n1
67608 Oc1ccc2ccccc2c1N=Nc1cccc(c1)S(O)(=O)=O |w:12.14|
67609 OC(=O)Cn1cc(C=c2sc3nc4ccccc4n3c2=O)c2ccccc12
67610 COc1ccc(\C=C\c2nc3ccccc3n2C)cc1
67611 CC(=NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1 |w:2.2|
67612 O=C1C(C(=O)c2ccccc12)c1ccccn1
67613 Cc1ccc2NC(=O)\C(=C/c3ccco3)c2c1
67614 CCOc1ccc(cc1)-c1ccc(SC)nn1
67615 Brc1ccc(o1)C(=O)Nc1nc2ccccc2[nH]1
67616 S=C(Nc1cccnc1)Nc1cccc2cnccc12
67617 S=C(NCc1ccccc1)Nc1ccc2cn[nH]c2c1
67618 Oc1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1 |w:7.7|
67619 Cc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)c(C)c1
67620 CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
67621 CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
67622 COc1cc(CN=Nc2ccc(cn2)C(F)(F)F)ccc1O |w:7.7|
67623 Oc1ccc2c(C#N)c3ccccn3c2c1
67624 S=C(Nc1ccccc1)Nc1ccc2cn[nH]c2c1
67625 COc1cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)ccc1O |w:6.6|
67626 COc1cc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)ccc1O |w:6.6|
67627 CN(C)c1ccc(C=NNC(=O)c2ccoc2C)cc1
67628 N(c1ccccc1)c1ccnc(Nc2ccccc2)n1
67629 CC(C)(C)c1[nH]nc2-c3ccccc3C(=O)c12
67630 Oc1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:7.7|
67631 O=C(N1CCOCC1)c1ccc2c3OCc4ccccc4-n3nc2c1
67632 COc1cc(ccc1O)C1c2sc(=O)[nH]c2Sc2c(O)n(c(O)c12)-c1ccc(C)cc1
67633 OC(=O)c1ccc(cc1)N=Cc1c(O)ccc2oc3CCCCc3c12 |w:9.9|
67634 COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)ccc1O |w:5.4,c:17|
67635 CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3ccc(Br)o3)ccc2n1
67636 COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(O)C(=O)C2=CO1 |c:11,22,t:9|
67637 NC(=O)NN=Cc1c(O)ccc2oc3CCCCc3c12 |w:4.3|
67638 CCc1ncc(C=C2C(=O)Nc3ccccc23)[nH]1 |w:6.5|
67639 Nc1ccc(N=Nc2ccccc2O)c(N)c1 |w:5.4|
67640 CCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1
67641 CC1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(O)cc1 |t:8|
67642 COc1cc(C=C2SC(Nc3ccccc3OC)=NC2=O)ccc1O |w:5.4,c:18|
67643 Oc1ccc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1 |w:6.6|
67644 CCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1
67645 COc1cccc(c1)C(=O)ON=C(N)c1ccccn1 |w:11.11|
67646 Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1 |w:8.7|
67647 COc1ccc(CNc2nc3ccccc3s2)cc1OC
67648 OC(=O)c1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1C(O)=O
67649 CN(C(C)=O)c1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:11.11|
67650 Cc1cc(ccc1N=Cc1c(O)ccc2ccccc12)C(O)=O |w:7.7|
67651 Nc1nc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1cc(O)ccc1[N+]([O-])=O
67652 NS(=O)(=O)c1ccc-2c(c1)C(N=O)c1cc(ccc-21)S(N)(=O)=O
67653 COc1cc(C=Nn2c(n[nH]c2=S)C2CCCCC2)ccc1O |w:6.6|
67654 CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1O
67655 CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
67656 COc1ccc(cc1)-c1oc2ncnc(NCCCN(C)C)c2c1-c1ccc(OC)cc1
67657 OCCN1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1O
67658 CN1CCCC1CCNc1ccc2sc3ccccc3c(=O)c2c1
67659 O=c1c2ccccc2sc2ccc(NCCCN3CCOCC3)cc12
67660 CCOc1cc(\C=C2/SC(=NC2=O)N2CCCC(C)C2)ccc1O |c:9|
67661 Cc1ccc(NC(=O)c2cccc(c2)C(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O
67662 COc1ccc(cc1)-c1onc2ccc(cc12)C(=O)\C=C\N(C)C
67663 CNC(=S)Nc1cccc(c1)-c1cnc2ccccc2n1
67664 COc1cccc(c1)-c1onc2ccc(cc12)C(=O)\C=C\N(C)C
67665 CN(C)\C=C\C(=O)c1ccc2noc(-c3cccc(F)c3)c2c1
67666 CN(C)\C=C\C(=O)c1ccc2noc(-c3ccccc3)c2c1
67667 OCCCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccccc1
67668 Oc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2O)cc1
67669 COc1ccc(cc1)C(=O)ON=C(N)c1ccccc1 |w:11.11|
67670 Cc1nc[nH]c1C(=O)NN=Cc1c(Cl)cccc1Cl |w:9.9|
67671 COC(=O)c1ccc(COc2ccccc2\C=C\C(=O)c2ccc(OCC(O)=O)cc2)cc1
67672 OC(=O)c1cc(ccc1Cl)N=NCc1c(O)ccc2ccccc12 |w:11.12|
67673 CNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1ccccc1F
67674 OC(=O)c1ccc(NC(=O)c2cccc(n2)C(=O)Nc2ccc(cc2)C(O)=O)cc1
67675 O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
67676 Cc1cc(O)ccc1NS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
67677 Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 |t:25|
67678 COc1ccc(cc1)C(=O)ON=C(N)c1ccccn1 |w:11.11|
67679 CN1CCCC1CCNc1ccc2oc3ccccc3c(=O)c2c1
67680 CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1
67681 CC1CN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CCN1c1cccc(C)c1 |t:17|
67682 CS(=O)(=O)Nc1ccc(cc1)-c1cc(C=C2SC(N)=NC2=O)c[nH]c1=O |w:14.14,c:19|
67683 Cc1cc(no1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(O)cc1C(O)=O
67684 O=c1c2ccccc2oc2ccc(NCCCN3CCOCC3)cc12
67685 OC(=O)c1ccccc1NC(=O)c1cc(NC(=O)c2ccccc2)cc(c1)C(=O)Nc1ccccc1C(O)=O
67686 CC(Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc31)C(=O)NCCN1CCOCC1
67687 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1nccs1
67688 CC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 |w:3.3|
67689 COc1ccc(OC)c(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1
67690 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
67691 COc1ccc(O)c(c1)-c1nc(N)nc(N)n1
67692 Nc1nc(N)nc(n1)-c1cc(O)ccc1O
67693 CC(C)n1cnc2c(Nc3ccc(NC(=O)C=C)cc3)nc(NC3CCC(CC3)N(C)C)nc12 |(14.52,-3.79,;13.02,-3.47,;11.99,-4.62,;12.54,-2.01,;13.44,-.77,;12.54,.47,;11.08,,;9.75,.77,;9.75,2.31,;8.41,3.08,;8.41,4.62,;7.08,5.39,;5.75,4.62,;4.41,5.39,;4.41,6.93,;5.75,7.7,;3.08,7.7,;3.08,9.24,;5.75,3.08,;7.08,2.31,;8.41,,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-4.62,;5.75,-6.16,;7.08,-6.93,;8.41,-6.16,;8.41,-4.62,;7.08,-8.47,;5.75,-9.24,;8.41,-9.24,;9.75,-2.31,;11.08,-1.54,)|
67694 CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
67695 CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C2CCCC2)C(CC1=O)c1ccccc1
67696 COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCC(O)CC3)c2n1)C(=O)NC1CCN(C)CC1 |(10.87,-5.35,;10.86,-3.81,;12.19,-3.03,;13.53,-3.8,;14.86,-3.02,;14.85,-1.48,;13.52,-.72,;12.19,-1.49,;10.85,-.73,;9.52,-1.5,;9.52,-3.11,;8.12,-3.9,;6.75,-3.07,;5.54,-4.03,;5.88,-5.54,;4.04,-3.69,;3.08,-4.9,;3.37,-2.3,;4.04,-.92,;5.54,-.57,;5.88,.93,;7.36,1.38,;7.7,2.88,;6.57,3.93,;6.91,5.43,;5.1,3.48,;4.76,1.97,;6.75,-1.53,;8.12,-.71,;16.2,-3.79,;16.2,-5.33,;17.53,-3.01,;18.86,-3.78,;18.87,-5.32,;20.21,-6.08,;21.54,-5.31,;22.87,-6.07,;21.53,-3.77,;20.19,-3,)|
67697 CCC(CO)Oc1cc(NC(=O)Cc2ccccc2F)c2ncn(C(C)C)c2c1
67698 Oc1ccc(cc1)[C@@H]1CCc2c(O)cc(O)c(c2O1)-c1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1 |wU:7.7,(4.49,6.07,;4.49,4.53,;3.15,3.76,;3.14,2.22,;4.48,1.45,;5.81,2.21,;5.82,3.75,;4.47,-.09,;3.08,-.9,;3.09,-2.5,;4.49,-3.28,;4.49,-4.82,;3.16,-5.59,;5.83,-5.59,;7.16,-4.82,;8.49,-5.59,;7.16,-3.28,;5.83,-2.51,;5.85,-.91,;8.49,-2.51,;8.49,-.97,;9.83,-.2,;11.16,-.97,;12.54,-.15,;13.93,-.94,;15.26,-.16,;13.93,-2.54,;12.54,-3.33,;12.52,-4.87,;11.16,-2.51,;9.83,-3.28,;9.83,-4.82,;8.49,.57,;9.83,1.34,;9.83,2.88,;8.49,3.65,;8.49,5.19,;7.16,2.88,;7.16,1.34,)|
67699 [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)N1CCNCC1
67700 NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O
67701 Cc1ccc2c(Cl)c(sc2c1)C(=O)NCCCN1CCOCC1
67702 [O-][N+](=O)c1ccc2c(Cl)c(sc2c1)C(=O)NCCCn1ccnc1
67703 CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(F)cc1)c1cccn1C
67704 CCCCCCn1c(SCCC)nc2n(C)c(=O)[nH]c(=O)c12
67705 CCCN1C(=O)C2(C3CC(C)CC=C3C(C#N)(C#N)C(=N)C2C#N)c2ccccc12 |c:12|
67706 COc1cc(C)nc(n1)N1CCCC(C1)C(=O)Nc1cccc(Cl)c1C
67707 CCOc1ccc2nc(NC(=O)CSc3nc4n(C)c(=O)n(C)c(=O)c4n3C(C)C)sc2c1
67708 CCOc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1
67709 O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1
67710 CCC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(Cl)cc1
67711 Cn1c2ccccc2c(O)c(C(=O)Nc2ncccc2O)c1=O
67712 CCCCCn1c(SCCC(C)C)nc2n(C)c(=O)[nH]c(=O)c12
67713 Cc1nc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)sc1C
67714 CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1
67715 Cn1c2nc([nH]c2c(=O)[nH]c1=O)N(Cc1ccccc1)Cc1ccccc1
67716 CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O
67717 CC(C)CCn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
67718 CCc1nc(NCC(C)C)c(C#N)c2CC(C)(C)OCc12
67719 [#6]-[#8]-c1ccccc1-[#6](=O)-[#7]\[#6](-[#7]-[#6](=O)-c1ccccc1-[#8]-[#6])=[#7]/c1nc2ccccc2o1
67720 CCCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc2OCCCOc2c1
67721 CC(C)(C)C(=O)C1=NON(O)\C1=C(\N=O)C(C)(C)C |t:6|
67722 Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCN(CC1)c1cccc(C)c1C
67723 NC(=O)c1cc(nc(n1)N1CCCCCC1)-c1ccccc1
67724 COc1cccc(Nc2ncnc3n(ncc23)-c2cccc(C)c2)c1
67725 CCOc1ccc(cc1)C1CC(=Nc2nnnn12)c1ccc(C)cc1 |c:12|
67726 Oc1ccc(Br)cc1-c1cc(n[nH]1)-c1ccccc1F
67727 CCCCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(C)CC1
67728 CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1
67729 CCCCCCNC(CC)=C1C(=O)NC(=O)N(CCCC)C1=O |w:7.6|
67730 CCN(CC)c1ccc(NC(CC)=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.9|
67731 COc1ccc(CNc2oc(nc2C#N)-c2cccc3ccccc23)cc1
67732 COc1ccccc1-c1c(C)[nH]nc1-c1ccc(OCC(C)=C)cc1O |(5.53,7.11,;6.25,5.75,;5.44,4.45,;3.9,4.5,;3.08,3.19,;3.8,1.83,;5.34,1.78,;6.16,3.09,;7.7,3.03,;8.17,4.5,;7.27,5.74,;9.71,4.5,;10.19,3.03,;8.94,2.13,;8.94,.59,;10.28,-.18,;10.28,-1.72,;8.94,-2.49,;8.94,-4.03,;10.28,-4.8,;10.28,-6.34,;11.61,-7.11,;8.94,-7.11,;7.61,-1.72,;7.61,-.18,;6.09,.09,)|
67733 COc1ccccc1Oc1c(C)[nH]nc1-c1ccc(OCC(C)=C)cc1O
67734 CCCCCc1c(C)nc(Nc2ccccc2)[nH]c1=O
67735 CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1
67736 CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(C)=C)cc1O
67737 CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1
67738 Cc1nc(SCC(=O)Nc2ccc(C)c(F)c2)c2oc3ccccc3c2n1
67739 CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1
67740 CC1=CC(C)(C)N(C(=O)c2ccc(F)cc2)c2cc3OCOc3cc12 |t:1|
67741 CCCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2n(C)c(=O)n(C)c(=O)c12
67742 CCCCCCn1c(nc2oc3cc(OC)ccc3c(=O)c2c1=O)-c1ccco1
67743 COc1ccc(NC(=O)c2cc(n[nH]2)-c2cc(C)cc(C)c2O)cc1Cl
67744 CC(C)Cn1c(N)c(C(=O)COC(=O)C2CCCCC2)c(=O)n(C)c1=O
67745 CC1CCCCN1c1ncnc2sc(C)c(C)c12
67746 Cc1ccc(NC(=O)NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c(C)c1
67747 CCn1c(C)nc2cc(ccc12)-c1nnc(o1)-c1c(C)onc1-c1ccccc1
67748 Cc1cccc(OCc2nnc(SCc3nc4cc(ccc4c(=O)[nH]3)C(F)(F)F)o2)c1
67749 Cc1cc(NC(=O)CSc2nc(C)nc3sc4CCCCc4c23)no1
67750 CCOC(=O)c1nc(ncc1Cl)S(C)(=O)=O
67751 CCOC(=O)N1CCC(CC1)n1c(=S)[nH]c2cc(OCC)c(OCC)cc2c1=O
67752 Cc1ccc(OCC(O)CN2CCN(CC2)c2ccccc2)c(CC=C)c1
67753 CCN(CCNC(=O)C1CCN(Cc2nc(oc2C)-c2ccc(CC)cc2)CC1)c1ccccc1
67754 COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)N1CCN(CC1)c1ccccc1)c2=O
67755 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1Cl
67756 COc1ccccc1-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)Cc2ccccc2)o1
67757 Cc1ccc(o1)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(C)cc3)c2n1
67758 NC(=N)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
67759 CCCCCCn1c(CN2CCCC(C)C2)nc2n(C)c(=O)n(C)c(=O)c12
67760 CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C |c:17|
67761 CCOC(=O)C(NC(=O)Nc1cccc(C)n1)(OCC(F)(F)F)C(F)(F)F
67762 CCOc1cccc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1O
67763 CC(C)c1nnc(s1)N1C(c2ccco2)c2c(oc3ccccc3c2=O)C1=O
67764 Oc1ccc(Cl)cc1NC(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c1ccc2OCOc2c1
67765 CCC1CCc2c(C1)sc(NC(=O)c1ccoc1C)c2C(N)=O
67766 Cc1cc(oc1C(=O)N1CCN(CC1)C(=O)c1oc(cc1C)C(C)(C)C)C(C)(C)C
67767 Clc1ccc2[nH]c(=O)c(N3CCN(CC3)C(=O)c3ccco3)c(-c3ccccc3)c2c1
67768 CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)-c1ccccc1
67769 CCCCc1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1
67770 CC(C)CCc1c(C)nc(Nc2ccc(F)cc2)[nH]c1=O
67771 CCC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
67772 CCCc1cc(=O)[nH]c(Nc2ccc(cc2)N2CCCCC2)n1
67773 Clc1ccc(OCC(=O)Nc2ccccn2)c(Cl)c1
67774 CCCCCc1c(C)nc(NCc2ccccc2)[nH]c1=O
67775 CCCCOc1ccc(cc1)-c1nnc(SCC=C)[nH]1
67776 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1c(C)noc1C
67777 CC1CN(CCN1c1cccc(C)c1)C(=O)CS(=O)(=O)Cc1nc(oc1C)-c1ccccc1F
67778 CC(C)c1cc(no1)C(=O)Nc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C
67779 Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1ccccc1
67780 COc1ccc(OC)c2sc(NC(=O)c3ccc(Cl)s3)nc12
67781 CC(C)CCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCCc1ccccc1
67782 CC1CCC(CC1)n1c(=S)[nH]c2ccccc2c1=O |(3.08,-3.17,;4.41,-2.4,;4.41,-.86,;5.75,-.09,;7.08,-.86,;7.08,-2.4,;5.75,-3.17,;8.41,-.09,;8.41,1.45,;7.08,2.22,;9.75,2.22,;11.08,1.45,;12.46,2.27,;13.85,1.48,;13.85,-.12,;12.46,-.92,;11.08,-.09,;9.75,-.86,;9.75,-2.4,)|
67783 [#6]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#7]\[#6]=[#6]-2/[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-2=O)-[#6]-[#6]-1
67784 Clc1ccc(CN2CCn3c2nc2ccccc2c3=O)cc1
67785 O=C(On1c(nc2ccccc2c1=O)-c1ccccc1)c1ccco1
67786 Nc1ccc(SC(F)(F)F)cc1C(=O)c1ccccc1
67787 Cc1cccnc1NC(=O)c1c(O)c2ccccc2n(C)c1=O
67788 CC(C)(C)c1cc(CN2CCCC(O)C2)c(O)c(c1)C(C)(C)C
67789 Cc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1
67790 CCCCCCOC(=O)c1ccccc1N
67791 COc1oc(nc1C(F)(F)F)-c1ccc(Cl)cc1
67792 O=C(CNC1CCCCCC1)Nc1ccccc1N1CCCCC1
67793 Cc1cc2CSC(SCc2cc1C)c1ccccc1O
67794 CCc1ccc2[nH]c(=O)c(cc2c1)C(N1CCC(C)CC1)c1nnnn1Cc1ccco1
67795 Cc1ccc(OCC(=O)N2N=C(CC2(O)C(C)(C)C)C(F)(F)F)cc1C |c:10|
67796 Cc1cc(C)n(n1)-c1nc(nc(n1)-n1nc(C)cc1C)N(c1ccccc1)c1ccccc1
67797 O=C1c2ccccc2-c2onc3ccc(Oc4ccccc4)c1c23
67798 CC(C)Cc1ccc(cc1)C(C)C(=O)Nc1nccs1
67799 CCCOc1ccc(cc1)-n1c(O)cc(SC(NC)=Nc2ccc(F)cc2)c1O |w:19.20|
67800 Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(Cl)cc1
67801 CCCCCCNC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
67802 CCCOc1ccc(cc1)-n1c(O)cc(SC(NCC)=Nc2cccc(F)c2)c1O |w:20.21|
67803 FC(F)(F)c1cnc(NCCNC(=O)CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)c(Cl)c1
67804 Clc1ccccc1C(=O)OCn1ncc(Br)c(Br)c1=O
67805 Cc1cccc(C)c1N1CCN(CC1)c1ccc2nnc(n2n1)C(F)(F)F
67806 Fc1cccc(CN2C(=O)C3CSCN3c3ccc(cc23)C(F)(F)F)c1
67807 Cc1ccc(CN2C(=O)C3CSCN3c3ccc(cc23)C(F)(F)F)cc1
67808 COc1ccc(NN=C(CN=O)C(=O)c2ccc(OC)cc2)cc1 |w:7.6|
67809 COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(Cl)cc2)cc1
67810 CCCCc1nc(NCCN)c(C#N)c2CC(C)(C)SCc12
67811 CCCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2CC(C)(C)OCc12
67812 FC(F)(F)c1cnc(Cc2ccc(s2)S(=O)(=O)NN=Cc2ccc(Cl)cc2)c(Cl)c1
67813 COc1ccccc1C(=O)Oc1ccc(cc1)C(C)C
67814 CCOc1cc(ccc1Cl)S(=O)(=O)Nc1ccc(CC)cc1
67815 CCc1ccc(cc1)C(=O)\C=C\c1ccc(o1)[N+]([O-])=O
67816 Oc1ccccc1C=NNC(=O)CSC1c2ccccc2-c2ccccc12 |w:8.9|
67817 Cc1nc2ccccc2n1CC(O)Cn1c2CCCCc2c2cc(C)ccc12
67818 ClCC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
67819 CC(=C)C(=O)OC1(Oc2cc(C)ccc2NC1=O)C(F)(F)F
67820 O=C(CSC1c2ccccc2-c2ccccc12)NN=Cc1ccccc1
67821 Cc1ccc(cc1)-c1nn(CC(=O)NCc2cc(ccc2C)-c2nn(C)c(=O)c3ccccc23)c(=O)c2ccccc12
67822 Cn1c2ccccc2n(CCOc2ccc(Cl)cc2Cl)c1=O
67823 Cc1ccc(cc1)C(=O)CC(=O)c1cc(Cl)ccc1O
67824 COC(=O)C(=C(\F)Sc1cc(C)c(O)c(C)c1)\C(F)(F)F
67825 Oc1ccc(Br)cc1-c1nc2c[nH]ccn2c1=NC1CCCCC1 |w:17.20|
67826 FC(F)(F)c1cc(nc(n1)-n1cc(Br)cn1)-c1cccs1
67827 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F
67828 Fc1c(F)c(c(F)c(F)c1N=NCc1cccs1)C(F)(F)F |w:10.10|
67829 CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2cc(Br)c(O)cc12
67830 CCOc1cc(ccc1Cl)S(=O)(=O)Nc1cc(C)cc(C)c1
67831 Nc1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)c1
67832 O=C(NCc1ccccc1)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1
67833 CCOc1cc(ccc1Cl)S(=O)(=O)Nc1ccccc1CC
67834 CC(C)COc1ccc(cc1)C(N=O)c1ccccc1
67835 CC(C)c1ccc(cc1)C1C2CSCCC2=C(C#N)C(=N)C1(C#N)C#N |t:17|
67836 FC(F)(F)c1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O
67837 CCOc1cc(\C=C2\C(=O)ON=C2C)ccc1OCc1ccc(F)cc1 |c:11|
67838 Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(=O)Nc3ccc(C)c(F)c3)n2n1
67839 CC1(C)CC(C)(c2ccccc2)c2cccc3c2N1C(=O)C31C(C#N)=C(N)Oc2cc(O)ccc12 |t:28|
67840 COc1ccc2c(C)nc(Nc3nc(C)c(C)c(=O)[nH]3)nc2c1
67841 Cc1cc2ccccc2n1CCNS(=O)(=O)c1c(C)cc(C)cc1C
67842 CCOC(=O)c1c(O)c(=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)[nH]c1=C |w:9.9|
67843 CCc1cc(-c2n[nH]c(C)c2Oc2ccc(cc2)C(C)C)c(O)cc1O
67844 CCOC(=O)c1c(C)c(sc1NC(=O)Cc1cccs1)C(=O)NC1CCCCC1
67845 CC(C)(C)c1cc(cc(c1F)C(C)(C)C)S(=O)(=O)CCc1ccccn1
67846 CC1CCN(CC1)S(=O)(=O)c1ccc-2c(c1)C(N=O)c1cc(ccc-21)S(=O)(=O)N1CCC(C)CC1
67847 CC1=C(C(C(C#N)C(SCC(=O)Nc2nccs2)=N1)c1ccc(Cl)cc1)C(=O)OCC=C |c:18,t:1|
67848 Cc1ccc(C=NN2C(N(O)C(=O)Nc3ccc(cc3)[N+]([O-])=O)C(C)(C)SC2=S)cc1 |w:6.6|
67849 CC(=C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c(O)c1
67850 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN=CC1=Cc2ccccc2OC1C |w:16.15,t:18|
67851 COc1ccc(cc1)-c1nn(cc1C=Nn1c(O)csc1=S)-c1ccccc1 |w:14.16|
67852 Cc1ccc(OCC(=O)N2CCN(CC2)c2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
67853 CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1
67854 CC1=C(C(C(C#N)C(SCC(=O)Nc2ccccc2)=N1)c1ccco1)C(=O)OCC=C |c:19,t:1|
67855 CCN(CCO)c1ncnc2c1sc1nc(C(C)C)c3COC(C)(C)Cc3c21
67856 CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3COC(C)(C)Cc3c21
67857 CCCCn1c(N=Cc2c[nH]c3ccccc23)nc2ccccc12 |w:6.5|
67858 Cc1cc2c3N(C(=O)C22C(C#N)=C(N)OC4=C2C(=O)CC(C)(C)C4)C(C)(C)CC(C)(c2ccccc2)c3c1 |c:16,t:12|
67859 CCOc1ccc(NC=C2C(=O)NC(=O)N(C2=O)C(C)(C)C)cc1 |w:8.7|
67860 CN1CC(c2ccccc2)C2(SC(=S)N(Cc3ccco3)C2=O)C11C(=O)Nc2ccccc12
67861 Cc1n[nH]c(NC=C2C(=O)CC(CC2=O)c2ccco2)c1-c1ccc(Cl)cc1 |(6.09,-7.16,;5.18,-5.91,;3.64,-5.91,;3.17,-4.45,;4.41,-3.54,;4.41,-2,;5.75,-1.23,;5.75,.31,;4.41,1.08,;3.08,.31,;4.41,2.62,;5.75,3.39,;7.08,2.62,;7.08,1.08,;8.41,.31,;6.52,4.72,;5.89,6.13,;7.04,7.16,;8.37,6.39,;8.05,4.88,;5.66,-4.45,;7.12,-3.97,;8.27,-5,;9.73,-4.53,;10.05,-3.02,;11.52,-2.54,;8.91,-1.99,;7.44,-2.47,)|
67862 CCC(CC)c1nnc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)s1
67863 Cc1nn(CCC#N)c2nc(cc(c12)C(F)(F)F)-c1ccccc1
67864 CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1C1CCCC1
67865 Cc1cc(Cl)ccc1OCc1n[nH]c(=S)n1C1CCCCC1
67866 CCn1cc(c(n1)C(=O)N1N=C(CC1c1ccccc1O)c1ccc(Cl)c(Cl)c1)[N+]([O-])=O |c:11|
67867 Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1
67868 CCc1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1
67869 CCOc1cc(C)c(-c2onc(c2-c2csc(C)n2)C(F)(F)F)c(O)c1 |(11.08,-6.67,;11.08,-5.13,;9.75,-4.36,;9.75,-2.82,;8.41,-2.05,;8.41,-.51,;6.87,-.51,;9.75,.26,;9.75,1.8,;10.99,2.71,;10.52,4.17,;8.98,4.17,;8.5,2.71,;7.04,2.23,;6.56,.77,;5.02,.77,;4.54,2.23,;3.08,2.71,;5.79,3.14,;8.07,5.42,;7.17,6.67,;9.32,6.33,;6.83,4.51,;11.08,-.51,;12.41,.26,;11.08,-2.05,)|
67870 Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(CC1)c1cccc(C)c1C
67871 COc1cc(cc(NC(=O)c2ccco2)c1OC)C(=O)OC(C)C(=O)NCC1CCCCC1
67872 Fc1ccc(cc1)C1=NC(c2c(N1)n(Cc1ccco1)c(=O)[nH]c2=O)(C(F)(F)F)C(F)(F)F |t:8|
67873 COC(=O)c1c(C)c(C)sc1NC(=O)Nc1ccc(Cl)cc1
67874 CC(=N)C(C#N)C(=O)COC(=O)C1CCC(CC1)C(C)(C)C |(3.08,-4.77,;4.41,-5.54,;4.41,-7.08,;5.75,-4.77,;7.08,-5.54,;8.41,-6.31,;5.75,-3.23,;4.41,-2.46,;7.08,-2.46,;7.08,-.92,;8.41,-.15,;9.75,-.92,;8.41,1.39,;9.75,2.16,;9.75,3.7,;8.41,4.47,;7.08,3.7,;7.08,2.16,;8.41,6.01,;8.41,7.55,;9.95,6.01,;6.87,6.01,)|
67875 CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1ccccc1
67876 COc1ccc(cc1)-c1nc(NC(=O)Cn2ccc(n2)C(F)(F)F)sc1C
67877 Cc1nn(c(C)c1Oc1ccccc1O)-c1ccc(cn1)C(F)(F)F
67878 COc1cc2CCN(C(c3ccccc3)c2cc1OC)C(=O)CCl
67879 CCOC(=O)Cc1csc(NC(=O)NC2(Oc3ccc(Cl)cc3O2)C(F)(F)F)n1
67880 FC(F)(F)c1cccc(NC(=O)COCC(=O)Nc2cccc(c2)C(F)(F)F)c1
67881 CCN(CC)S(=O)(=O)c1cccc(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
67882 [#6]-[#6]-[#6]-[#6]-[#7]=c1scc(-c2ccc3-[#8]-[#6]-[#6](=O)-[#7]-c3c2)n1\[#7]=[#6]-1/[#6]-[#6]-[#6]-[#6]-1 |w:4.3|
67883 COc1ccc(cc1OC)-c1cnc(OC(C)(C)C)nc1OC(C)(C)C
67884 Cn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1cccc(OCc2ccccc2)c1
67885 Nc1c(N(C2CCCC2)C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)[nH]c(=O)n1Cc1ccccc1
67886 COc1ccc(C=NNC(=O)COc2ccc(cc2)C(C)(C)C)cc1Cn1nc(C)cc1C
67887 CCOc1cccc(CNc2ccc(O)cc2)c1OCc1ccc(Cl)cc1Cl
67888 Cc1cccc(c1)C(=O)c1cnc2ccccc2c1-c1ccccc1
67889 CCOc1cc(C=NNC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
67890 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)Nc1sc2CCCCc2c1C(N)=O
67891 Cc1sc(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C(N)=O)c1-c1ccc(cc1)C(C)(C)C
67892 COc1ccc(cc1)-c1n[nH]cc1C=C(C#N)C(=O)NC1CCCCCC1 |w:13.14|
67893 CCNC(=S)NN=Cc1cc(Br)cc(Br)c1OC |w:6.5|
67894 COc1ccc(cc1)\N=c1/oc2ccc(OC)cc2cc1-c1nc2ccccc2[nH]1
67895 Fc1ccc(\[#6]=[#6]-2/[#6]-[#6]\[#6](-[#6]-2=O)=[#6]-2\[#16]-[#6]-[#6]-[#6]-[#16]-2)cc1
67896 [H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1cccc(C)c1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
67897 CCc1ccc(cc1)-c1cc(C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c2ccccc2n1 |c:15|
67898 CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C
67899 COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl
67900 Cc1ccc(OCC(=O)NN=Cc2c[nH]nc2-c2ccc(Cl)c(Cl)c2)cc1 |w:10.9|
67901 CCOc1ccc(cc1)-c1cc(CCCC(=O)NCc2ccc(C)cc2)no1
67902 Cc1ccccc1N1CCN(CC1)C(=O)c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
67903 OC1(CSc2ccc(Cl)cc2Cl)CCN(CC1)C(=O)c1ccc(Cl)cc1
67904 FC(F)(F)c1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
67905 Clc1ccc2[nH]c(cc2c1)-c1ccccc1
67906 CNc1nc(Sc2cccc(c2)C(F)(F)F)cc(n1)C(F)(F)F
67907 Cc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
67908 COc1ccc(\C=C2\C(=O)ON=C2c2ccccc2)cc1OC |c:11|
67909 CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=S)NCC(C)C
67910 CCOc1cc(C=NNC(=O)Cc2ccc(cc2[N+]([O-])=O)C(F)(F)F)c(Br)cc1OC
67911 Cc1cccc(c1)N=Nc1c(N)[nH]nc1-c1ccc(Cl)cc1 |w:7.7|
67912 Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(C)cc2)\C#N)n(n1)-c1ccccc1
67913 Cc1csc(NC(=O)CSc2nnc3c4ccccc4nc(n23)C(C)(C)C)n1
67914 CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc21
67915 COc1cccc(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C
67916 CCc1c(C)sc(NC(=O)CSc2nc-3c(CCc4ccccc-34)c(n2)C(F)(F)F)c1C#N
67917 COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C
67918 CCC(COC(=O)Nc1ccc(Cl)cc1)N1C(SCC1=O)c1ccc(C)cc1
67919 Clc1ccc(COc2ccc(NC(=S)Nc3ccccc3)cc2)c(Cl)c1
67920 NC(=O)c1ccc(n(Cc2ccc(Cl)cc2)c1=O)C(F)(F)F
67921 NC(=O)c1ccc(n(Cc2c(Cl)cccc2Cl)c1=O)C(F)(F)F
67922 FC(F)(F)c1nnc(nc1Sc1ccc(Cl)cc1)-c1ccccc1
67923 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCCNC(=O)Nc1cccc(c1)C(F)(F)F
67924 FC(F)(F)c1cnc(Oc2ccc(cc2)N=CC(C#N)C(=O)CCl)c(Cl)c1 |w:15.15|
67925 CC(C)Oc1cc(NC(=O)CS(=O)CC(=O)Nc2cccc(c2)C(F)(F)F)c(Cl)cc1Cl
67926 Cc1cc(Nc2cccc(c2)[N+]([O-])=O)n2c(nc3ccccc23)c1C#N
67927 CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(Cl)cc1 |w:12.13,c:5|
67928 FC(F)(F)c1cnc(Oc2ccc(cc2)S(=O)(=O)Nc2ccccc2)c(Cl)c1
67929 OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(F)c1)C(F)(F)F
67930 CN1CC(c2ccc(C)cc2)C2(COc3ccccc3C2=O)C11C(=O)Nc2ccccc12
67931 CCOC(=O)Cc1cc(nc2ccc3ccccc3c12)-c1ccc(O)cc1
67932 CN1C(=S)SC(=Cc2cc(ccc2O)N=Nc2ccccc2)C1=O |w:14.14,6.6|
67933 FC(F)(F)c1cccc(NC(=S)NC(=O)Cc2ccccc2)c1
67934 CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1
67935 CCOC(=O)C1C(\C=C\c2ccccc2)C(C(=O)OCC)=C(C)N=C1C |c:24,t:21|
67936 COc1cc(C=NNC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1C |w:6.6|
67937 Oc1cccc(c1)-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1
67938 Cc1ccc(COc2ccc(Br)cc2CN=O)cc1
67939 CC(C)Oc1ccc(CNC(=O)CC(c2ccccc2)c2cc(Cl)ccc2O)cc1
67940 CC(C)(C)C(=O)NC(NC(=S)Nc1sc2CCCCc2c1C#N)C(Cl)(Cl)Cl
67941 COc1cc(CN=O)cc(Br)c1OCc1cccc(Cl)c1
67942 FC(F)(F)c1ccc(NC(=O)c2cc(nc3ccc(Br)cc23)-c2cccnc2)cc1
67943 COC(=O)c1cc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc(c1)C(=O)OC
67944 Cc1ccc(cc1)-c1nnc(o1)-c1ccc(NC(=O)Cc2cccs2)cc1
67945 [O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1
67946 CCOc1cc(C=NNC(=O)COc2cccc(C)c2)ccc1OC(=O)c1cccs1
67947 Cc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
67948 S=c1[nH]nc(C2CCCCC2)n1N=CC=Cc1ccccc1 |w:12.13,14.15|
67949 COc1ccc(cc1)-c1nn(cc1C=NNC(=O)c1ccc(Br)o1)-c1ccccc1
67950 CC(C)C1CCC(C)CC1OCC(O)CN1CCN(Cc2ccccc2)CC1
67951 Cc1cc(ccc1O)C1(C(=O)Nc2ccccc12)c1ccc(O)c(C)c1
67952 [O-][N+](=O)c1ccc([CH+][N-]n2c(n[nH]c2=S)C2CCCCC2)cc1
67953 Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
67954 Oc1ccc2ccccc2c1C(NC(=O)c1ccccc1Cl)c1ccccc1
67955 CC(C=Nn1c(n[nH]c1=S)C1CCCCC1)=Cc1ccccc1 |w:3.3,16.18|
67956 CCCCCCCC(=O)NN=Cc1ccc(Br)cc1
67957 COC1=CC(=CCC1=O)c1nc2n(nc(C)c2c2cc(OC)c(OC)cc12)-c1ccccc1 |c:4,t:2|
67958 COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1
67959 Clc1ccc(OCC(=O)NCCC2=CCCCC2)c(Cl)c1 |t:12|
67960 CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)c1cccc(Br)c1
67961 CC1CCN(CC1)C(=O)C(=C\c1ccccc1Cl)\c1ccccc1
67962 FC(F)(F)c1cccc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
67963 COC(=O)CN1C(CC(=O)Nc2ccc(Br)cc2)C(=O)N(Cc2ccccc2)C1=S
67964 Cc1ccc(cc1)N(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O
67965 Cc1ccc(C)c(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)c1 |w:15.14|
67966 CC1=NC(C)=C(C(\C=C\c2ccccc2)C1C(=O)OCC=C)C(=O)OCC=C |c:4,t:1|
67967 COc1ccc(OCCSc2nnc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2CC=C)cc1
67968 CC(C)CCn1c2ccccc2c(O)c(C(=O)NN=Cc2cccc(F)c2)c1=O |w:18.18|
67969 Cc1ccc(cc1)C(N(C(=O)CNC(=O)c1cccs1)c1c(C)cccc1C)C(=O)NCc1ccco1
67970 CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
67971 CCc1ccc(OCC(=O)NC(NC(=S)Nc2ccccc2)C(Cl)(Cl)Cl)cc1
67972 Clc1ccc(CCNC(=S)Nc2ccc(Cl)cc2Cl)cc1
67973 Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccccc2)c1
67974 Oc1c(cc(Cl)c2cccnc12)C(NC(=O)c1cccnc1)c1ccccc1
67975 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1
67976 CCC(=O)N1N=C(CC1c1ccco1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:5|
67977 Cc1ccc(C=Nn2c(n[nH]c2=S)C2CCCCC2)s1 |w:6.6|
67978 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
67979 COc1cc(C=C(C#N)c2nc3ccccc3c(=O)[nH]2)ccc1O |w:5.4|
67980 [#6]-[#8]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#8]-[#6])-[#6]-1=O)=[#6]-1\[#7]-c2ccc3ccccc3c2-[#6]-2=[#6]-1-[#6]-[#6]-[#6]-2 |c:26,t:2,5|
67981 Clc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1cccs1
67982 CC1CC(C)CN(C1)c1nc(Nc2cccc(C)c2)nc(N)c1[N+]([O-])=O
67983 CCCCCCOC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)[N+]([O-])=O
67984 CC(C)c1ccc(NC(=O)CSc2nc(nc3nc[nH]c23)-c2ccccc2F)cc1
67985 COc1cc(OC)c(OC)cc1CN=Nc1ncnc2c3ccccc3[nH]c12 |w:14.15|
67986 CCNC(=O)c1c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)sc2CCCCc12
67987 [O-][N+](=O)c1ccc(COc2cc[c-](-c3[nH+][nH]cc3-c3ccccc3)c(=O)c2)cc1
67988 Cc1ccc(cc1)-c1n[nH]cc1C=Nn1c(COc2ccccc2)nc2ccccc2c1=O |w:13.15|
67989 COC(=O)C(O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F
67990 CC(C)NC(=O)c1ccccc1NC(=O)\C=C\c1cccc(c1)[N+]([O-])=O
67991 FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cccc2CCCCc12
67992 Clc1cccc(NC=C2C(=O)CC(CC2=O)c2cccc(Cl)c2)c1 |(3.08,-7.01,;4.41,-6.24,;5.75,-7.01,;7.08,-6.24,;7.08,-4.7,;5.75,-3.93,;5.75,-2.39,;7.08,-1.62,;7.08,-.08,;5.75,.69,;4.41,-.08,;5.75,2.23,;7.08,3,;8.41,2.23,;8.41,.69,;9.75,-.08,;7.85,4.34,;7.08,5.67,;7.85,7.01,;9.39,7.01,;10.16,5.67,;11.7,5.67,;9.39,4.34,;4.41,-4.7,)|
67993 O=C(Nc1nccs1)\C=C/c1cn(nc1-c1ccccc1)-c1ccccc1
67994 CC1(C)CC(CCO1)C(CCN(Cc1ccccc1)C(=O)c1ccco1)c1ccc(F)cc1
67995 OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)Cn1c2ccccc2c2ccccc12
67996 COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cccnc2)cc1
67997 Oc1ccc(cc1C=Nc1ccc(cc1)N1CCOCC1)N=Nc1cccc(c1)C(F)(F)F |w:8.9,22.25|
67998 Cc1cccc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1C
67999 Cc1ccc2=NC(=O)C(NNC(=O)CCc3ccccc3)=c2c1Br |c:21,t:4|
68000 COc1cc(ccc1-n1cnnn1)N(C(C(=O)NC1CCCCC1)c1ccc(C)cc1)C(=O)Cc1cccs1
68001 Cc1[nH]c2ccccc2c1C=NNC(=O)C1CC1(c1ccccc1)c1ccccc1 |w:11.13|
68002 Fc1ccc(cc1)C(N(Cc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NC1CCCCC1
68003 CCCC(=O)NC(NC(=S)Nc1ccc(cc1)N=Nc1ccccc1)C(Cl)(Cl)Cl |w:17.17|
68004 Cc1ccc(o1)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1C)C(=O)NC1CCCCC1
68005 CC(C)Cn1c2nnc(SCC(=O)N3C(C)Cc4ccccc34)n2c2ccccc2c1=O
68006 O=C(NNC(=O)c1cccc2ccccc12)c1ccc(cc1)-c1ccccc1
68007 CCc1ccc2N=C(N=[NH+][C-](c3ccc(cc3)[N+]([O-])=O)c2c1)c1ccc(C)cc1 |c:6,8|
68008 COc1cc(OC)cc(c1)-c1nc2ccccc2c(=O)n1OC(=O)c1ccc(Br)cc1
68009 Clc1cccc(NC=C2C(=O)CC(CC2=O)c2ccccc2)c1 |(3.08,-7.01,;4.41,-6.24,;5.75,-7.01,;7.08,-6.24,;7.08,-4.7,;5.75,-3.93,;5.75,-2.39,;7.08,-1.62,;7.08,-.08,;5.75,.69,;4.41,-.08,;5.75,2.23,;7.08,3,;8.41,2.23,;8.41,.69,;9.75,-.08,;7.85,4.34,;9.39,4.34,;10.16,5.67,;9.39,7.01,;7.85,7.01,;7.08,5.67,;4.41,-4.7,)|
68010 CC(C)(C)C1C\C(=C\c2ccco2)C(=O)\C(C1)=C\c1ccco1
68011 Cn1c2cc(Cl)ccc2c(SCC(=O)NCCC2=CCCCC2)cc1=O |t:18|
68012 O=C(C1=C(C(=O)c2ccccc2C1=O)c1ccccc1)c1ccccc1 |t:2|
68013 CC(=O)OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+]([O-])=O
68014 Clc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
68015 CCCC(=O)OCCNc1cc(Sc2nc3ccccc3[nH]2)c2nonc2c1[N+]([O-])=O
68016 CC(C)OC(=O)c1nc2N=C(C)C(C(c3cccc(Cl)c3)n2n1)C(=O)Nc1ccc(C)cc1C |t:9|
68017 Cc1ccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)cc1
68018 Cc1cccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c1 |w:10.10,t:7|
68019 ClC1=C(Nc2ccccc2)C(=O)c2ccccc2C1=O |c:1|
68020 CCOC(=O)CN1C(Nc2ccc(Br)cc2C1c1ccccc1)c1ccc(O)cc1
68021 Cc1nc(Nc2nc(CSc3nc4ccccc4[nH]3)cc(=O)[nH]2)nc2ccccc12
68022 Cc1ccc(cc1)S(=O)(=O)N1CC(C(=N1)C(=O)C1CO1)c1ccc(Br)cc1 |c:14|
68023 COc1ccc2nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc(C)c2c1
68024 COc1ccc(Cc2nc3ccccc3n2CC(=O)NN=Cc2ccc(C)cc2O)cc1OC |w:20.21|
68025 CCCCCC1CC(CC(=O)Nc2ccc(cc2)[N+]([O-])=O)C(=O)O1
68026 CCCOc1ccc(Cc2c(Cl)nc(SC)nc2NC)cc1
68027 Fc1ccc(cc1C(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)NCCc1ccccc1
68028 CC(C)Cn1c2N=C(CCC3CCCCC3)NC(c2c(=O)[nH]c1=O)(C(F)(F)F)C(F)(F)F |t:6|
68029 CC(C(=C)C(=O)c1ccccc1)C(=C)C(=O)c1ccccc1
68030 Clc1ccc(-c2csc(N=NCc3cccnc3)n2)c(Cl)c1 |w:9.8|
68031 Cc1ccc(cc1)N=Cc1cc2C(C(C#N)C(=N)Oc2cc1O)c1ccccc1 |w:7.7|
68032 COc1ccc(cc1)C(CCNCc1ccc(F)cc1)c1ccc(F)cc1
68033 Cc1ccc(C=NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
68034 COCCn1c2ccc(NC(C)=O)cc2s\c1=N/C(=O)/C=C/c1cccs1
68035 O=C(Nc1ccc(cc1)-c1nc2ccccc2s1)C1=COCCO1 |t:21|
68036 Cc1ccccc1NC(=O)\C=C\c1ccc(s1)[N+]([O-])=O
68037 CC(=NNC(=O)COc1ccc(cc1)C(C)(C)C)c1ccc(cc1)N1CCOCC1 |w:2.2|
68038 CC(C)C1CCC(C)CC1OC(=O)COC(=O)c1cc(O)ccc1N
68039 CN(C)c1ccc(cc1)C(CNS(=O)(=O)c1ccc(F)c(F)c1)c1c[nH]c2ccccc12
68040 Brc1ccc(cc1)C1C(C#N)c2nc3ccccc3n2C(=N)C1C#N
68041 [O-][N+](=O)c1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)o1
68042 Brc1cccc(c1)C1C(C#N)c2nc3ccccc3n2C(=N)C1C#N
68043 [O-][N+](=O)c1ccccc1NNC(=O)Nc1ccc(Cl)c(Cl)c1
68044 OC(CNCCc1ccc(cc1)C(F)(F)F)COc1cccc2ccccc12
68045 Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=CC(Br)=Cc1ccccc1 |w:12.13,16.18|
68046 Oc1c(C(=O)NN=Cc2ccc(F)cc2)c(=O)[nH]c2ccccc12 |w:6.5|
68047 [#6]-[#6]-[#8]-[#6](=O)-c1sc(-[#7]\[#7]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)c(-[#6](=O)-[#8]-[#6]-[#6])c1-[#6]
68048 Nc1cc(Cl)c2nonc2c1[N+]([O-])=O
68049 OC(CNCCc1ccc(cc1)C(F)(F)F)COc1ccc2ccccc2c1
68050 CCC1(NC(=O)N(CC(=O)Nc2ccc(cc2)-c2nc3ccc(C)cc3s2)C1=O)c1ccc(F)cc1
68051 CCOc1ccc(C=NNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
68052 CNC(=O)NC(=O)C(C)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1
68053 COc1ccccc1NC(=O)c1c(N)c(sc1Nc1ccccc1C)C(=O)Nc1cccc(Cl)c1
68054 Cn1cnc(c1S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
68055 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C)=C\C(O)=O |c:9|
68056 OC(c1ccc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
68057 FC(F)(F)c1cccc(NCC(=O)NN=Cc2cccc(Br)c2)c1
68058 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)c1ccc[nH]1 |(7.08,7.34,;7.08,5.8,;8.62,5.8,;5.54,5.8,;7.08,4.26,;5.75,3.49,;5.75,1.95,;7.08,1.18,;8.41,1.95,;8.41,3.49,;7.08,-.36,;8.41,-1.13,;5.75,-1.13,;5.75,-2.67,;4.41,-3.44,;3.08,-2.67,;4.41,-4.98,;3.17,-5.88,;3.64,-7.34,;5.18,-7.34,;5.66,-5.88,)|
68059 Cc1cc(c(C)n1-c1ccccc1)C1=NN=C(NC2CC2)SC1 |t:15,17|
68060 Cc1ccc(cc1)\N=C1/SC(C(=O)Nc2ccc(OC(F)(F)F)cc2)=C(N)C1C(=O)Nc1c(C)cc(C)cc1C |t:26|
68061 CCNC1=NN=C(CS1)c1cc(C)n(Cc2ccco2)c1C |c:5,t:3|
68062 Cc1cc(c(C)n1-c1ccccc1F)C1=NN=C(NC2CC2)SC1 |t:16,18,(8.87,4.61,;7.96,3.37,;8.44,1.9,;7.19,1,;5.95,1.9,;4.48,1.43,;6.42,3.37,;5.52,4.61,;3.99,4.45,;3.08,5.7,;3.71,7.11,;5.24,7.27,;6.14,6.02,;7.67,6.18,;7.19,-.54,;8.53,-1.31,;8.53,-2.85,;7.19,-3.62,;7.19,-5.16,;8.53,-5.93,;9.3,-7.27,;10.07,-5.93,;5.86,-2.85,;5.86,-1.31,)|
68063 Cc1cc(Cl)ccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1
68064 FC(F)(F)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)NCc2ccccc2Cl)c1
68065 CC1CCCC(NC(=O)COC(=O)\C=C\c2ccc3OCOc3c2)C1C
68066 COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1
68067 CC(C)CCN1C(=O)\C(=N/NC(=O)c2c(C)nc3ccccn23)c2ccccc12
68068 Cc1ccc2nc(NC(=O)C3CCN(CC3)S(=O)(=O)c3cc(ccc3Cl)[N+]([O-])=O)sc2c1
68069 Clc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(c2)S(=O)(=O)Nc2ccccc2Cl)cc1
68070 Fc1ccc(NC(=O)Nc2ccc(N3CCCC3)c(c2)S(=O)(=O)Nc2ccccc2Cl)cc1
68071 CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cc2ccccc2o1
68072 CCCCc1ccc(NC(=S)Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)cc1
68073 CC1(NC(=O)N(N=Cc2c(O)ccc3ccccc23)C1=O)c1ccc(OC(F)F)cc1 |w:6.5|
68074 CC(=NNC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccoc2C)cc1 |w:2.2|
68075 CN(C)c1ccc(cc1)-c1nc2ccccn2c1N=Cc1ccc(Br)cc1
68076 Cc1ccccc1Oc1cc(ncn1)-n1ncc(Cl)c(Cl)c1=O
68077 [H]C12[#6]-[#6]C([H])([#6](-[#6]1-[#6](-[#8])=O)-[#6](=O)-[#7]-c1sc(-[#6])c(c1-[#6](-[#7])=O)-c1ccc(cc1)-[#6](-[#6])-[#6])\[#6]2=[#6](\[#6])-[#6] |TLB:11:6:32:3.2,THB:8:7:32:3.2|
68078 C[C+](C)[N-]Oc1cc(NC(=O)CCl)cc(c1)[N+]([O-])=O
68079 Cc1ccc(cc1)-n1c(Cl)c(Cl)nc(Cl)c1=O
68080 COc1cc(OC)nc(n1)-n1ncc(Br)c(Br)c1=O
68081 Cc1ccc(C)c(OCc2ccc(o2)C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c1 |c:18|
68082 CC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1
68083 Clc1ccccc1C1CC(=O)C(=CNc2ccccc2)C(=O)C1 |(8.83,3,;8.06,4.34,;8.83,5.67,;8.06,7.01,;6.52,7.01,;5.75,5.67,;6.52,4.34,;5.75,3,;4.41,2.23,;4.41,.69,;3.08,-.08,;5.75,-.08,;5.75,-1.62,;4.41,-2.39,;4.41,-3.93,;5.75,-4.7,;5.75,-6.24,;4.41,-7.01,;3.08,-6.24,;3.08,-4.7,;7.08,.69,;8.41,-.08,;7.08,2.23,)|
68084 Cc1c(OCc2ccc(F)cc2)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F
68085 CC1CCc2c(C1)sc1ncn(CC(=O)NNC3=c4ccccc4=NC3=O)c(=O)c21 |c:18,25|
68086 Cc1cc(CN=Nc2nc(N)ncc2[N+]([O-])=O)c(C)n1-c1cccc(c1)C(F)(F)F |w:5.4|
68087 CC(C)c1ccccc1NC(=O)Cn1c(\C=C\c2ccccc2)nc2ccccc12
68088 Cc1ccc(cc1)-c1nc(C(Cl)Cl)c2ccccc2n1
68089 O=C1\C(CCC\C1=C/c1ccncc1)=C\c1ccncc1
68090 COc1cc(C=NN2C(=O)C(CC(=O)Nc3ccc(F)cc3F)S\C2=N/C)ccc1OC(F)F
68091 CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
68092 CCCc1ccc(O)c(c1)N=Cc1cc(Br)cc(OCC)c1O |w:10.10|
68093 CC(N=Nc1nc(O)c(CC(=O)Nc2ccc(C)c(Cl)c2)s1)C(C)(C)C |w:2.1|
68094 COc1ccccc1-n1cc(cn1)[C@@H]1C[C@H]2CN(C(=O)[C@]22CCCN12)c1ccccc1
68095 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Oc1ccc(O)cc1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
68096 CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O
68097 Fc1ccc(cc1)-c1nn(cc1CNCc1ccccc1)-c1ccccc1
68098 CCCCNS(=O)(=O)c1ccc2nc(cc(C(=O)NC3CCCC3)c2c1)-c1cccnc1
68099 CC(C)(C)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1
68100 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NCCC(C)C)Cc2cccs2)c(O)c1
68101 CC(C)(C)c1ccc(cc1)C1CC1C(=O)NN=Cc1ccc[nH]1 |w:16.17|
68102 CC1(C)CC(C)(c2ccccc2)c2cccc3\C(C(=O)N1c23)=C1/NC(=S)NC1=O
68103 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccc(F)cc3)cc2)c1COc1ccccc1
68104 [O-][N+](=O)c1ccc(\C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1
68105 CC(C)c1ccc(O)c(NC(=S)NC(=O)CCc2ccccc2)c1
68106 CS(=O)(=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)CC(=O)OCc1ccccc1
68107 COc1ccccc1NCC(O)COc1ccc(cc1)C(C)(C)C
68108 CC(C)(C)c1ccc(OCCNC(=S)Nc2ccccc2)cc1
68109 Cc1cc2\C(=C\C(=O)c3cccs3)C(=O)Nc2c(Br)c1
68110 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)CC(CN1CCCCC1)N1CCCCC1
68111 O=C1N(C[C@@H]2C[C@H](N3CCC[C@@]123)c1cccs1)c1ccccc1
68112 Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c2c(Cl)cccc12
68113 Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1O)C(=O)c1cccs1 |t:8|
68114 [O-][N+](=O)c1cccc(CN(C(=O)CCl)c2cccc(Cl)c2)c1
68115 CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
68116 Oc1ccccc1NC(=O)c1c(O)c2CCCCc2[nH]c1=O
68117 CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2cnccn2)c1=O
68118 Clc1c(CN2CCCCC2)c(=O)oc2ccccc12
68119 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:7,10|
68120 Cc1ccc(NC(=O)C(=O)NCC2OCCc3ccccc23)cc1
68121 CCCCCCSc1nsc(NC(=O)CCC)n1
68122 CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O
68123 O=C1CC(CC(=O)C1=CNc1ccccc1-c1ccccc1)c1ccco1 |(7.08,.04,;8.41,.81,;8.41,2.35,;9.75,3.12,;11.08,2.35,;11.08,.81,;12.42,.04,;9.75,.04,;9.75,-1.5,;8.41,-2.27,;8.41,-3.81,;9.75,-4.58,;9.75,-6.12,;8.41,-6.89,;7.08,-6.12,;7.08,-4.58,;5.75,-3.81,;4.41,-4.58,;3.08,-3.81,;3.08,-2.27,;4.41,-1.5,;5.75,-2.27,;10.52,4.45,;9.89,5.86,;11.04,6.89,;12.37,6.12,;12.05,4.61,)|
68124 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1
68125 Cc1cc(Cl)n2c3ccccc3nc2c1C#N
68126 CCCCCCn1c2ccccc2c(O)c(C(=O)NN=Cc2cccc(F)c2)c1=O |w:19.19|
68127 Fc1cccc(c1)-c1nnn2c1nc(Cl)c1ccccc21
68128 Cc1cc(Cl)n2c(nc3cc(F)c(F)cc23)c1C#N
68129 CCCNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1
68130 CCCNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
68131 CC(C)(C)C(=O)Cn1ncc(Br)c(Br)c1=O
68132 COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
68133 ClCC(=O)N1CCN2C(=O)c3ccccc3C12c1ccc(Cl)cc1
68134 Cc1ccc(CNCC(O)(c2ccccc2)c2ccc(Cl)cc2)cc1
68135 [O-][N+](=O)c1ccc([CH-]N=[N+]=Cc2ccc(o2)[N+]([O-])=O)o1
68136 C[C@@H]1CC2OC3CC4OC(=O)C=C(C)C4O[C@@]3(C)CC2OC2CC[C@@]3(C)O[C@@]4(C)CC5OC6CC7O[C@@]8(C)C(O)CC(CC(=C)C=O)OC8CC7OC6C6OC6C[C@@]5(C)OC4CC3OC12 |t:11|
68137 FC(F)(F)c1cccc(CN2CCC(CC2)c2cc(n[nH]2)-c2cccs2)c1
68138 CCOc1cc(NC(=O)CCl)c(OCC)cc1NC(=O)CCl
68139 Fc1ccccc1N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
68140 [O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccccc2Cl)c1 |w:11.11|
68141 Oc1ccc(CN=Nc2nc(nc(n2)N2CCCCCC2)N2CCCCCC2)c(O)c1 |w:7.7|
68142 CCN(CC)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3sc2c1=O
68143 Clc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NNc1cccc(Cl)n1
68144 CCc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1
68145 Cc1ccc(cc1)-c1nc(N)sc1-c1ccc(C)cc1
68146 CCc1ccc(OCc2n[nH]c(=S)n2C(C)CCCC(C)C)cc1
68147 CCCC(NCC(O)COc1ccc(cc1)-c1ccccc1)c1ccccc1
68148 CC(=O)NCc1ccc(s1)C(=O)CCl
68149 CC1CCCC(NCC(O)COC(c2ccc(F)cc2)c2ccc(F)cc2)C1C
68150 CCC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1
68151 Nc1cccc2C(=O)N(C(=O)\C=C\c3cccc(F)c3)C(=O)c12
68152 CC1C\C(=C\c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
68153 CCCCn1c2nc(-c3ccc(OCCC)c(OCC)c3)n(C)c2c(=O)[nH]c1=O
68154 Cc1cccc(CN=Nc2ccc3ccccc3n2)c1 |w:8.8|
68155 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cn(nc1-c1cccs1)-c1ccccc1 |w:4.3|
68156 Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)S(=O)(=O)N1CCOCC1
68157 ClCCCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
68158 CC(C)c1ccc(C)cc1OCC(=O)NN=CC1CCCCC1 |w:15.15|
68159 Fc1ccc(cc1F)-c1csc(NC(=O)CSc2ncnc3n[nH]cc23)n1
68160 CN(C1CCCc2ccccc12)C(=O)CCl
68161 FC(F)(F)c1ccc(C=NNC(=S)NC2CCCCC2)cc1 |w:9.9|
68162 Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCCCCC1
68163 OC(CNCC(c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl)c1ccccc1
68164 CC(C)(C)c1ccc(OCC(=O)NN=CC2CCC=CC2)cc1 |w:13.12,c:18|
68165 CC(C)Cn1c2nc(cc(c2c(=O)[nH]c1=O)C(F)(F)F)-c1ccccc1
68166 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1
68167 CCCCCC(=O)OC1C(OC(=O)C(\C)=C\C)C(C)=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(C)=O)C12)OC(=O)CCC |t:18|
68168 Cc1cc2c3ccccc3[nH]c2c2C=CC(C)(C)Oc12 |c:15|
68169 Oc1ccc(N=O)c2cccnc12
68170 CCOC(=O)c1cnc(nc1Nc1ccc(O)cc1)-n1nc(C)cc1C
68171 CCCCCn1c2ccccc2c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c1=O
68172 [O-][N+](=O)c1ccc(cc1)-c1nc(C(Cl)Cl)c2ccccc2n1
68173 COCCn1cnc2n(N=Cc3cccc(OC)c3)c3nc4ccccc4nc3c2c1=O
68174 Fc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1
68175 Oc1ccccc1-n1c(ccc1-c1ccccc1)-c1ccccc1 |(5.97,-1.51,;7.51,-1.51,;7.51,-3.05,;8.85,-3.82,;10.18,-3.05,;10.18,-1.51,;8.85,-.74,;8.85,.8,;10.09,1.71,;9.62,3.17,;8.08,3.17,;7.6,1.71,;6.09,2.03,;5.62,3.49,;4.11,3.82,;3.08,2.67,;3.56,1.21,;5.06,.89,;11.56,1.23,;12.7,2.26,;14.16,1.79,;14.48,.28,;13.34,-.75,;11.88,-.27,)|
68176 Fc1c(F)c(F)c(Oc2ccc(NC(=O)OC3CCN4Cc5ccccc5N=C34)cc2)c(F)c1F |t:28|
68177 COc1ccc(cc1)C1=NN(C(C1)c1cc2ccccc2nc1Cl)C(=O)c1ccco1 |t:9|
68178 OC(=O)c1ccc(cc1)N=NCc1ccc2nccnc2c1 |w:9.9|
68179 Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
68180 [H][C@@]12CC3C(CC[C@]4(C)C(CC[C@@]34[H])[C@H](C)C3CC(C)=C(CO)C(=O)O3)[C@@]3(C)C(=O)C=C[C@H](O)[C@@]13O2 |c:33,t:21|
68181 [H][C@@]12O[C@]3([H])C=C(C)CC[C@]3(COC(C)=O)[C@@](C)([C@H](OC(C)=O)[C@H]1O)[C@]21CO1 |t:5,TLB:27:25:18.23:2.10.3,19:18:25:2.10.3,THB:11:10:25:18.23,9:10:25:18.23,24:23:25:2.10.3,26:25:18.23:2.10.3|
68182 COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](CO)[C@H](CO)[C@H](O)c2cc3OCOc3cc12
68183 Cc1ccc(cc1)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:14.15,16.17|
68184 FC(F)(F)c1cc(CCN2[C@H](Cc3cccc4ccccc34)CNC(=O)C2=O)cc(c1)C(F)(F)F
68185 Cc1nn(c(C)c1C=NOC(=O)Nc1ccc(Cl)cc1)C(C)(C)C |w:8.9|
68186 COC(=O)c1sc(cc1NC(=O)c1ccccc1C(O)=O)-c1ccc(cc1)C(C)(C)C
68187 FC(F)(F)Oc1ccc(NC(=O)NCc2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
68188 Cn1nc(cc1NC(=O)Nc1ccc(cc1)C(C)(C)C)-c1ccccc1
68189 Cc1ccc2nc(cn2c1)-c1cc(no1)-c1ccccc1
68190 CC(=NOCc1cccc(c1)C(O)=O)c1ccc(Cl)cc1
68191 Oc1c2C(N=C(C3C(=O)c4ccccc4C3=O)c2c(O)n1-c1ccc(OC(F)(F)F)cc1)c1ccccn1 |t:4|
68192 [O-][N+](=O)c1ccc(cc1)-c1nn(cc1[CH+][N-]n1c(n[nH]c1=S)-c1cccs1)-c1ccccc1
68193 CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cc(ccc5c4O)C(F)(F)F)c3)cc2C(F)(F)F)CC1
68194 NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2cc(F)ccc2F)c(c1)[N+]([O-])=O
68195 NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCCOc2ccccc2)c(c1)[N+]([O-])=O
68196 NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccc(F)cc2)c(c1)[N+]([O-])=O
68197 NC(=O)CC(NC(=O)Cc1cccc2ccccc12)c1ccc(NCc2ccccc2)c(c1)[N+]([O-])=O
68198 CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccoc1 |c:4|
68199 C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
68200 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
68201 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
68202 CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1)C(=O)OC(C)(C)C
68203 CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1
68204 C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
68205 CC(C)(C)OC(=O)CNC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1
68206 C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(C)cc1)C(=O)OC(C)(C)C
68207 Cc1ccc(Cl)cc1Nc1nccc(n1)-c1cccnc1
68208 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1
68209 CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
68210 O=N(=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1
68211 FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
68212 FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1
68213 O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cnc3[nH]ccc3c2s1
68214 Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1
68215 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(Cl)c(Cl)c2)n[nH]1
68216 CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c(C)c1
68217 CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-1.06,-4.07,;-1.06,-2.53,;-2.39,-1.76,;.28,-1.76,;1.61,-2.53,;2.94,-1.76,;2.94,-.22,;1.61,.55,;1.61,2.09,;2.94,2.86,;2.94,4.4,;4.28,5.17,;5.61,4.4,;6.94,5.17,;8.28,4.4,;9.61,5.17,;9.61,6.71,;8.28,7.48,;10.94,7.48,;12.28,6.71,;12.28,5.17,;10.94,4.4,;10.94,2.86,;8.28,2.86,;9.61,2.09,;6.94,2.09,;6.94,.55,;5.61,2.86,;4.28,2.09,;.28,-.22,)|
68218 CC(O)c1cccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4Cl)c(=O)n(C)c3n2)c1
68219 CC(O)c1cccc(Nc2ncc3cc(-c4cc(ccc4Cl)N(C)C(=O)c4cccc(c4)C(F)(F)F)c(=O)n(C)c3n2)c1
68220 CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)N1Cc2cnc(N)nc2N(C)C1=O
68221 O=C1N\C(S\C1=C1\C(=O)Nc2ccc(cc12)N(=O)=O)=N/S(=O)(=O)c1ccccc1
68222 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
68223 OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(Br)cc1
68224 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
68225 Clc1ccc(cc1Cl)N1NC(=O)C(=Cc2ccc(Cl)c(c2)N(=O)=O)C1=O |w:13.14|
68226 Oc1cc(Cl)c(\C=c2/sc3nc4ccccc4n3c2=O)cc1N(=O)=O
68227 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Cl)c2)C1=O
68228 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(I)c2)C1=O
68229 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccc(cc12)N(=O)=O
68230 NS(=O)(=O)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccc3C(=O)NC(=O)c3c2)C1=O)C(F)(F)F |c:12|
68231 CCOC(=O)c1ccc(cc1)-c1ccc(\C=C2/C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)S(N)(=O)=O)o1 |c:21|
68232 CCOC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/C(=O)N(N=C2C(F)(F)F)c2ccc(cc2)S(N)(=O)=O)o1 |c:22|
68233 O=C1N(Cc2cccnc2)C(=O)c2ccc(c3cccc1c23)N(=O)=O
68234 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C/c2cccc(Br)c2)C1=O
68235 CC(N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O)C(O)=O
68236 OC(=O)C(Cc1ccc(O)cc1)N1C(=S)S\C(=C\c2cccc(Br)c2)C1=O
68237 CC(N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12)C(O)=O
68238 OC(=O)C(Cc1ccc(O)cc1)N1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
68239 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(F)c2)C1=O
68240 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2ccccc2Br)C1=O
68241 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2cccc(c2)N(=O)=O)C1=O
68242 Cc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
68243 COc1cccc(\C=C2\SC(=S)N(C(Cc3ccccc3)C(O)=O)C2=O)c1
68244 OC(=O)C(Cc1ccccc1)N1C(=S)S\C(=C\c2ccccc2)C1=O
68245 OC(=O)N1C(=S)S\C(=C\c2ccccc2)C1=O
68246 OC(=O)CN1C(=S)S\C(C1=O)=C1/C(=O)Nc2ccccc12
68247 OC1C(O)C(OC1COP([O-])(=O)OP([O-])(=O)OCCCCCCNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)n1ccc(=O)[nH]c1=O |(22.94,6.54,;24.09,7.57,;25.59,7.25,;26.22,5.84,;26.36,8.58,;25.33,9.73,;23.93,9.1,;22.59,9.87,;21.26,9.1,;19.93,9.87,;19.16,8.54,;20.7,11.21,;18.59,10.64,;17.26,9.87,;16.49,11.21,;18.03,8.54,;15.92,9.1,;14.59,9.87,;13.26,9.1,;11.92,9.87,;10.59,9.1,;9.26,9.87,;7.92,9.1,;6.59,9.87,;5.26,9.1,;5.26,7.56,;3.92,9.87,;2.59,9.1,;1.25,9.87,;-.08,9.1,;-.08,7.56,;1.25,6.79,;2.59,7.56,;1.25,5.25,;.63,3.85,;2.59,4.48,;-1.41,6.79,;-2.75,7.56,;-2.75,9.1,;-4.08,9.87,;-5.41,9.1,;-6.75,9.87,;-5.41,7.56,;-4.08,6.79,;-4.08,5.25,;-2.75,4.48,;-2.75,2.94,;-1.41,2.17,;-1.41,.63,;-.08,2.94,;-.08,4.48,;-1.41,5.25,;27.9,8.74,;28.8,7.5,;30.33,7.66,;30.96,9.07,;32.49,9.23,;30.05,10.31,;28.52,10.15,;27.62,11.4,)|
68248 Oc1cc(O)c2c(CC(=O)CCCC\C=C\CCOC2=O)c1Cl |t:14|
68249 Oc1cc(O)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CCOC2=O)c1Cl |r|
68250 CC1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |t:3|
68251 CC1C[C@H]2O[C@@H]2CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:1.0|
68252 CC1CCCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
68253 COc1cc(OC)c2c(CC(=O)CCCC\C=C\CC(C)OC2=O)c1Cl |t:16|
68254 COc1cc(OC)c2c(CC(=O)CCCC[C@H]3O[C@@H]3CC(C)OC2=O)c1Cl |r,w:20.21|
68255 C[C@@H]1C\C=C\CCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 |r,t:3|
68256 C[C@@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3|
68257 C[C@H]1C\C=C\CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,t:3|
68258 C[C@H](CC=C)OC(=O)c1c(O)cc(O)c(Cl)c1CC(=O)CCCCC=C |r|
68259 C[C@@H]1CCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:5.5,3.3|
68260 Oc1cc(O)c2c(CC(=O)CCC\C=C/CCOC2=O)c1Cl |c:13|
68261 Oc1cc(O)c2c(CC(=O)CCC\C=C\CCOC2=O)c1Cl |t:13|
68262 Oc1cc(O)c2c(CC(=O)CC\C=C\CCOC2=O)c1Cl |w:14.13,11.11,t:12|
68263 Oc1cc(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Cl |w:17.16,15.14|
68264 C[C@@H]1CC=CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |r,w:2.2,4.4|
68265 Oc1c(Br)c(O)c2c(CC(=O)CCCCCC=CCCOC2=O)c1Br |w:18.17,16.15|
68266 Oc1cc(O)c2c(CC(=O)CCCCCCC=CCCOC2=O)c1Cl |w:18.17,16.15|
68267 O=C1N(CC2CCCO2)C(=O)c2cccc3cccc1c23
68268 O=C1N(CCCc2ccccn2)C(=O)c2cccc3cccc1c23
68269 CC(O)CCN1C(=O)c2cccc3cccc(C1=O)c23
68270 OCCCN1C(=O)c2cccc3cccc(C1=O)c23
68271 CCCNCCN1C(=O)c2cccc3cccc(C1=O)c23
68272 CCCNCCCNCCN1C(=O)c2cccc3cccc(C1=O)c23
68273 COC[C@H]1OC(=O)C(CSCC(NC(C)=O)C(O)=O)=C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)C3CCC4=O)OC(C)=O)[C@@]12C |r,t:18,24|
68274 CCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
68275 CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
68276 CCC(C)SSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
68277 CCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
68278 CCCCCCCCCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)OP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12
68279 Oc1cc(O)cc(\C=C\c2ccoc2)c1
68280 Oc1cc(O)cc(\C=C\c2ccsc2)c1
68281 CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
68282 CCCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1 |r|
68283 CCCCCCCCCCCCOC(=O)C1CCC(NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1 |r|
68284 CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CNC1=O)C(=O)OCCCCCCCCCCCC(C)C |r|
68285 CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCCC(C)C |r|
68286 CO[C@H]([C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)NC1CCC(CN(C)C1=O)C(=O)OCCCCCCCCCCC(C)C |r|
68288 C1C[N+]23CC(O[Gd-4]22456OC(C[N+]12CC[N+]4(CCCCCCOCC([C@@H]1[C@]2(CCC4[C@@]7(C)CCC(=O)C=C7CCC4C2CC1)C)=O)CC[N+]5(CC3)CC(O6)=O)=O)=O |r,c:38|
68289 [Gd-5]1234567[N+]8(CC(Cc9ccc(cc9)NC(=S)NCCCCCCOCC([C@@H]9[C@]%10(CCC%11C(CCC%12=CC(CC[C@]%11%12C)=O)C%10CC9)C)=O)[N+]1(CC(O2)=O)CC[N+]3(CC(O4)=O)CC[N+]5(CC8)CC(O6)=O)CC(O7)=O |r,t:33|
68290 CC#C[C@]1(C)CCC2C3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |r,c:18,t:11|
68291 C1[N+]23CC[N+]45CC[N+]6(CC([C@@H]7[C@]8(C)C(CC7)C7C([C@@]9(C(CC7)=CC(CC9)=O)C)CC8)=O)[Gd-4]242([N+](CC6)(CC(O2)=O)C1)(OC(C5)=O)OC(=O)C3 |r,c:23|
68292 Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
68293 CN(C)S(=O)(=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
68294 O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)N1CCCC1=O
68295 COc1ccc(cc1NC(=O)c1ccc2OCOc2c1)S(=O)(=O)N1CCOCC1
68296 CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
68297 Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c1C
68298 CCc1sc(cc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
68299 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
68300 CC(C)Oc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
68301 COc1ccc(cc1NC(=O)c1ccc(OC(F)F)cc1)S(=O)(=O)N1CCOCC1
68302 Cc1cccc(N2CCN(CC2)C(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)c1C
68303 COc1ccc(cc1NC(=O)c1ccc(OCC(C)C)c(OC)c1)S(=O)(=O)N1CCOCC1
68304 CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
68305 Cc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)n1
68306 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
68307 CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)N1CCN(CC1)c1ccccc1
68308 CN(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C
68309 CCCc1cc(sc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
68310 CC(C)Oc1ccc(cc1NC(=O)c1cc2ccccc2s1)S(=O)(=O)N1CCOCC1
68311 COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
68312 COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
68313 COc1ccc(cc1NC(=O)c1cc2CCCCCCc2s1)S(=O)(=O)N1CCOCC1
68314 Cc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N1CCCCC1
68315 O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
68316 CCC1CCc2sc(cc2C1)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
68317 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
68318 CCOc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
68319 FC(F)(F)COc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1
68320 CCOc1ccccc1N1CCN(CC1)C(=O)c1cc(ccc1N1CCCC1)S(=O)(=O)N(C)C
68321 CCc1cc(sc1C)C(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
68322 COc1ccc(cc1NC(=O)c1ccc(cc1)-n1nc(C)cc1C)S(=O)(=O)N1CCOCC1
68323 CN(C(=O)CSc1nnc2c(C)cc3ccc(C)cc3n12)c1nc(cs1)-c1ccccc1
68324 Cc1cc2cc3OCCOc3cc2n2c(SCC(=O)Nc3nc(cs3)-c3ccccc3)nnc12
68325 COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCCOc5cc4n23)n1
68326 Cc1cc2cc3OCOc3cc2n2c(SCC(=O)Nc3nc(cs3)-c3ccccc3)nnc12
68327 COc1ccc(cc1)-c1csc(NC(=O)CSc2nnc3c(C)cc4cc5OCOc5cc4n23)n1
68328 COc1ccc2c(cc(C)c3nnc(SCC(=O)Nc4nc(C)cs4)n23)c1
68329 COc1ccc(cc1NC(=O)c1ccc(Cl)cc1)S(=O)(=O)N1CCOCC1
68330 O=C(Nc1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
68331 O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
68332 Cc1cc(-c2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1
68333 Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1
68334 Nc1nccnc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1
68335 CCOC(=O)N1C(=S)N(c2ccc(C)cc2)C2(CCCCC2)C1=O
68336 Clc1ccc(CSc2nnc(NC(=O)c3ccc4ccccc4n3)s2)cc1
68337 CC(C)N1CCc2c(C1)sc(NC(=O)c1nc3ccccc3s1)c2C(N)=O
68338 O=C1c2[nH]c3ccccc3c2CC\C1=C\c1ccccc1
68339 CCOC(=O)CCNCC1COc2ccccc2O1
68340 Fc1ccc(CSc2nnc(o2)-c2cccs2)cc1
68341 COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1
68342 CC1(C)CC(=O)C=C(C1)Nc1ccccn1 |c:6|
68343 COc1ccccc1N1CCN(CC1)C(=O)Cn1nnc(n1)-c1ccncc1
68344 O=C(CSc1nnc(o1)-c1ccncc1)Oc1ccccc1
68345 COc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)N1CCCCC1 |c:20,23|
68346 Oc1ccc2occ(C(=O)c3cccs3)c2c1CN1CCOCC1
68347 CCSc1nnc(o1)-c1cccs1
68348 Fc1ccc(NC(=O)CCSc2nnc(o2)-c2ccncc2)cc1
68349 COc1cc(ccc1O)C(N1CCN(CC1)c1nc2ccccc2s1)c1nnnn1C(C)(C)C
68350 NC(=O)c1c(NC(=O)CN2CCCC2)sc2CCCCc12
68351 CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1
68352 COc1ccc2occ(C(=O)c3coc4ccc(O)c(CN(C)C)c34)c2c1
68353 O=S(=O)(Nc1cccnc1)c1ccc(cc1)C1CCCCC1
68354 COc1cccc(c1)C(=O)Nc1nnc(s1)C(C)C
68355 OC(=O)CNCC1COc2ccccc2O1
68356 Cn1c2nc(Br)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O
68357 CC1(C)CC(=O)C=C(C1)Nc1ccc(F)cc1 |c:6|
68358 CCc1cc2c(NC(=O)CN=C2c2cccs2)s1 |c:10|
68359 CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1C1CC1
68360 CC(=O)c1coc2ccc(OCC(O)=O)cc12
68361 O=C(Nc1ccncc1)Nc1ccccn1
68362 COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1
68363 CN(Cc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1)Cc1ccccc1
68364 CCOC(=O)c1nnn(c1CN1CCc2ccccc2C1)-c1nonc1N
68365 COc1ccc(NC(=O)c2sc(SC)nc2N)cc1
68366 COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1
68367 O=C1CN=C(c2cccs2)c2c3CCCCc3sc2N1 |t:3|
68368 CCOc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
68369 CCOC(=O)COc1ccc(C(=O)c2ccccc2)c(O)c1
68370 COc1cccc(CSc2nnc(o2)-c2ccc(F)cc2)c1
68371 Cc1cc2c(NC(=O)CN=C2c2cccs2)s1 |c:9|
68372 Cc1cc(NC(=O)CCC(=O)N(C(C(=O)NC2CCCC2)c2ccccc2F)c2cccnc2)no1
68373 Cc1ccc(C)c(CSc2nnc(o2)-c2cccnc2)c1
68374 Cc1cc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C
68375 COc1ccc(cc1OC)-c1csc(n1)N1CCOCC1
68376 O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)N1CCOCC1
68377 CN(C)Cc1c(C)n(C)c2C(=O)c3ccc(Br)cc3-c12
68378 Cc1sc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c(C#N)c1C
68379 O=C(C1CCCN(C1)S(=O)(=O)c1ccccc1)N1CCN(CC1)c1ncccn1
68380 Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(CCc1ccccc1)CC(=O)NCc1ccco1
68381 C(COc1ccccc1)Cn1nnc(n1)-c1ccncc1
68382 CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(cc12)C(=O)NC1CCCC1
68383 Cc1ccc(cc1)N1CC(CC1=O)C(=O)NCCCn1ccnc1
68384 C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccncc1
68385 COc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1 |t:13|
68386 CC1(C)Oc2ccc(cc2N(CC(=O)N2CCOCC2)C1=O)C(=O)N1CCOCC1
68387 COCCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1
68388 N#Cc1cccc(c1)-c1nnc(SCc2ccccc2C#N)o1
68389 O=C1NC(Nc2sc3CCCCc3c12)c1cccs1
68390 CCOc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=NC(C)=C1C(=O)N1CCCCC1 |c:21,24|
68391 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
68392 OC(=O)C1CCC(CC1)NC(=O)OCc1ccccc1 |(3.08,-6.84,;4.41,-6.07,;5.75,-6.84,;4.41,-4.53,;3.08,-3.76,;3.08,-2.22,;4.41,-1.45,;5.75,-2.22,;5.75,-3.76,;4.41,.09,;5.75,.86,;7.08,.09,;5.75,2.4,;7.08,3.17,;7.08,4.71,;8.41,5.48,;8.41,7.02,;7.08,7.79,;5.75,7.02,;5.75,5.48,)|
68393 COC(=O)c1c(N)c(C#N)c2CCCCCn12
68394 N#Cc1c2CCN(Cc3ccccc3)Cc2c(nc1N1CCCCC1)N1CCCCC1
68395 Cn1c2nc3SCCCn3c2c(=O)[nH]c1=O
68396 Cc1nnc2n(-c3ccccc3)c(=O)c3c4CC(C)(C)OCc4sc3n12
68397 CCOC(=O)COn1c2ccccc2[n+]([O-])c(-c2cccs2)c1=O
68398 COc1cc(NC2=CC(=O)CC(C)(C)C2)cc(OC)c1OC |t:6|
68399 CCN1CCc2c(C1)c(nc(N1CCCCC1)c2C#N)N1CCOCC1
68400 O=c1n(cnc2c3ccccc3[nH]c12)C1CCCCC1
68401 Cc1nnc2n(-c3ccccc3)c(=O)c3c4CCCCc4sc3n12
68402 N#CCCSc1nc(N2CCOCC2)c2CCCCc2c1C#N
68403 Cc1ccsc1C1Nc2sc3CCCCc3c2C(=O)N1
68404 O=c1cc(NCc2ccccc2)nc2SCCCn12
68405 CC1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nnc(C)n12
68406 COC(=O)c1ccc(cc1)-n1c(O)cc(N2CCN(CC2)C(=O)c2ccco2)c1O
68407 COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
68408 CC(C)(C)NC(=O)CSC(NC#N)=NCC=C |w:13.13|
68409 Cc1cc(NC(=O)CSc2nc(ccc2C#N)-c2cccnc2)no1
68410 COc1cccc(c1)C(=O)CSC(NC#N)=NCC=C |w:16.17|
68411 CC1CCN(CC1)c1oc(nc1C#N)-c1ccccc1Cl
68412 CCNc1nc(N)c(s1)C(=O)c1ccc(Cl)s1
68413 C(c1ccccc1)n1c(nc2nc3ccccc3nc12)-c1ccco1
68414 CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3ccccc3nc12
68415 Nc1nc(cc(-c2cccs2)c1C#N)-c1cccnc1
68416 Fc1ccc(CN2C(=O)NC(=O)C(=CNCCN3CCCCC3)C2=O)cc1 |w:13.13|
68417 CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12
68418 CCCCC(=O)Nc1nn(CC(C)C)c2nc3ccccc3cc12
68419 CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc12
68420 Cn1c2nc(CN(Cc3ccccc3)Cc3ccccc3)[nH]c2c(=O)n(C)c1=O
68421 CCCCc1cc(=O)oc2cc(C)cc(OCC(O)=O)c12
68422 CCCCc1cc(=O)oc2cc(C)cc(OC(C)C(O)=O)c12
68423 CCOc1cc(ccc1O)C1N(C(=O)c2n[nH]c(C)c12)c1ccc(Br)cc1
68424 COc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1
68425 CCSc1nc(N)c2c3CCN(C)Cc3sc2n1
68426 CSc1nc(NCc2ccco2)c2c3CCN(C)Cc3sc2n1
68427 CCC(O)CNc1nc(SC)nc2sc3CN(C)CCc3c12
68428 COCCCn1c(nc2nc3ccccc3nc12)-c1ccc(OC)cc1
68429 CN1CCc2c(C1)sc1c2c(=O)n(-c2cccc(Cl)c2)c2nncn12
68430 CC1CCN(CC1)C(=O)CSc1nc(N)c2c3CCN(C)Cc3sc2n1
68431 CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nncn12
68432 C(CNc1ncnc2c3ccccc3oc12)Cn1ccnc1
68433 Cc1nc(NCCCn2ccnc2)c2oc3ccccc3c2n1
68434 CSc1nc(SCC(N)=O)c2c3CCN(C)Cc3sc2n1
68435 COc1ccc2nc3n(CC(C)C)nc(NC(=O)C4CCCO4)c3cc2c1
68436 CCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc12
68437 COc1ccc(cc1)C1CC(=O)C2C(c3ccccc3C)n3ncnc3N=C2C1 |c:29|
68438 Cc1ccnc(SCCn2c(nc3n(C)c(=O)[nH]c(=O)c23)N2CCOCC2)n1
68439 O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3C(C12)c1cccs1 |t:5|
68440 COc1cc(cc(OC)c1OC)C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C
68441 Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccccc1 |t:9|
68442 COc1ccc(cc1)N1CCN(CCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)CC1
68443 COc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21 |t:10|
68444 COCCOC(=O)C1C(c2ccccc2)n2ncnc2N=C1C |c:22|
68445 Cc1nc2nc(=O)c3C(C4=C(CC(C)(C)CC4=O)Nc3n2[nH]1)c1ccc(F)cc1 |t:9|
68446 Cn1c(SCc2nnc(o2)-c2ccc(F)cc2)nnc1C1COc2ccccc2O1
68447 Cc1nnc(SCC(=O)N2CCC(CC2)C(=O)Nc2nccs2)n1Cc1ccccc1
68448 CCOC(=O)C1C(c2ccc(cc2)N(C)C)n2ncnc2N=C1C |c:23|
68449 Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(C)cc1 |t:5|
68450 CC1(C)CC(=O)C=C(C1)Nc1ccc(Br)cn1 |c:6|
68451 Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1cccc(O)c1 |t:5|
68452 NC1=N\C(=N/c2ccccc2)c2ccccc12 |t:1|
68453 Fc1ccc(cc1)-n1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccncc1
68454 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CNC(=O)c1ccc(OCC)cc1
68455 CC(=O)Nc1cccc2C(=O)NC(=O)c12
68456 CCn1c(SCc2ccccc2)nnc1-c1cccs1
68457 COCCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nc2ccccc12
68458 Cc1cn(C2OC(COC(=O)c3ccccc3)C(O)C2O)c(=O)[nH]c1=O
68459 Cc1c(NC(=O)CSc2nnc3sc4ccccc4n23)c(=O)n(-c2ccccc2)n1C
68460 CC(C)(C)C(=O)COC(=O)c1ccc(O)cc1
68461 Nn1c(nc2sc3CCCCc3c2c1=O)-c1cccs1
68462 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CN1C(=O)NC(CC(C)C)C1=O
68463 COCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc12
68464 Cc1nc(NCCCn2ccnc2)c2ccccc2n1
68465 COc1ccc(cc1OC)-c1nn(cc1C=Nn1cnnc1)-c1ccccc1
68466 Brc1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
68467 Cc1nn(c2N=C3CCCC(=O)C3C(c3ccsc3)c12)-c1ccccn1 |t:5|
68468 COc1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:19|
68469 Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
68470 COc1cccc(NC2=CC(=O)CC(C)(C)C2)c1 |t:8|
68471 COc1cc(ccc1O)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:15,17|
68472 O=C(CN1C(=O)CCC1=O)Nc1ccc2CCc3cccc1c23
68473 Cc1nn(cc1CN=O)-c1ccccc1
68474 CN(C)Cc1c(O)ccc2c1oc(C)c(-c1cscn1)c2=O
68475 CC1CCCCN1c1ncnc2sc(C)cc12
68476 Fc1ccc(cc1)-c1nnc2ccc(SCC(=O)NCc3ccco3)nn12
68477 CC(C)OC(=O)c1nnn(c1CSc1ccccn1)-c1nonc1N
68478 CCCCOC(=O)C1C(c2cccc(OC)c2OC)n2ncnc2N=C1C |c:26|
68479 CC1CN(CC(C)O1)C(c1sc2nc(C)nn2c1O)c1cccc(F)c1
68480 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)OC
68481 Oc1c(Br)cc2oc3c(CCCNC3=O)c2c1Br
68482 Cc1c([nH]c2CCCC(=O)c12)C(=O)OCCOc1ccccc1
68483 CNC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCC(C)CC1
68484 CCOC(=O)C1C(c2ccccc2F)n2ncnc2N=C1C |c:21|
68485 CC1CCCCN1c1nnc(N)s1
68486 CC1(C)CC(=O)C=C(C1)Nc1ccccc1O |c:6|
68487 CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1
68488 CCOC(=O)C1C(c2cc(Br)ccc2F)n2ncnc2N=C1C |c:22|
68489 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Br)cc2CCN(C(=O)C3CC3)c12
68490 Cc1ccccc1CSc1nc2N=C3CCCC(=O)C3C(c3cccs3)n2n1 |t:13|
68491 CCSc1ccc2nnc(-c3ccc(F)cc3)n2n1
68492 CCC(=O)n1nc(nc1N)-c1ccc(OC)cc1
68493 OC(=O)c1ccccc1NCc1ccncc1
68494 COc1ccc(cc1OC)-c1nnc2ccc(SCC(N)=O)nn12
68495 CCOC(=O)C(CC)Sc1ncnc2nc[nH]c12
68496 CC1=Nc2ncnn2C(C1C(=O)OCc1ccccc1)c1cccnc1 |t:1|
68497 COc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 |c:20|
68498 CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(O)=O
68499 O=C(NCCCN1CCCCC1)c1ccc2SC(N3CCCCC3)C(=O)Nc2c1
68500 CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(C)CC1
68501 CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1
68502 COC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1
68503 COCc1c(nnn1-c1nonc1N)C(N)=O
68504 CCCn1cc(SCC(=O)NCc2ccco2)c2ccccc12
68505 CCOC(=O)N1CCC(CC1)NC(=O)c1cc2sccc2n1CC
68506 Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccccc1 |t:5|
68507 CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1
68508 CCCCOC(=O)C1C(c2cc(OC)c(OC)cc2OC)n2ncnc2N=C1C |c:28|
68509 Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2CCCCCc12
68510 Cc1ccccc1-n1nnc2c1c1ccccc1oc2=O
68511 CCOc1ccc(cc1)-c1nnc2ccc(SC)nn12
68512 COC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1
68513 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)OC(C)C
68514 CCN1CCN(CC1)C(=O)c1cc2cc3cc(OC)ccc3nc2s1
68515 O=C1NC(Nc2sc3CCCCc3c12)c1ccncc1
68516 Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1
68517 Cc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
68518 CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)OC
68519 CCOC(=O)c1nnn(CC(=O)Nc2cccc(OC)c2)c1C(=O)OCC
68520 CC(C)C(=O)NC(C)C(N1CCN(CC1)c1ccccc1)c1cccs1
68521 Cc1ccc(cc1C)-n1c(C)nc2n(ncc2c1=O)-c1ccc(F)cc1
68522 CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccc(OC)cc1
68523 COc1ccc(cc1OC)-c1c(N)nnc2c3ccccc3[nH]c12
68524 COc1cc2[nH]c(=O)n3nc(nc3c2cc1OC)-c1ccccc1
68525 CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1
68526 OC(=O)c1cccnc1-c1ncccc1C(O)=O
68527 O=C(NC1CCCCCC1)C1CCCN(C1)S(=O)(=O)c1cccs1
68528 CCOC(=O)c1nnn(c1CSc1ccc(C)cc1)-c1nonc1N
68529 COc1cccc(C(CC(=O)NCc2ccco2)NS(=O)(=O)c2ccc(C)cc2)c1OC
68530 COC(=O)c1nnn(c1CN1CCc2ccccc12)-c1nonc1N
68531 CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(CC1)c1ccccc1F
68532 CS(=O)(=O)c1nncn1-c1ccccc1
68533 CNC(=O)c1cc2cccc(OC)c2oc1=O
68534 CC1=NC(=O)NC(C1C(=O)OCC1CCCO1)c1ccc(O)cc1 |t:1|
68535 CN(CC(=O)N1CCCc2ccccc12)S(=O)(=O)c1ccc(C)cc1
68536 COc1ccc(cc1)C(O)c1coc2ccc(O)c(CN(C)C)c12
68537 COCCNC(=O)c1ccc(Cl)c(Cl)c1
68538 CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1
68539 CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2c1
68540 CCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
68541 Fc1ccccc1CSc1nnc(o1)-c1ccccc1
68542 CC(C)N1CC(CC1=O)C(=O)Nc1ccc(Br)c(Cl)c1
68543 O=C(CCC1COc2ccccc2O1)NCC1COc2ccccc2O1
68544 CCOc1cccc(c1)C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C
68545 Brc1cnn(Cc2ccc(o2)C(=O)NCc2ccccn2)c1
68546 CN(C)Cc1c(O)ccc2occ(C(=O)c3ccccc3)c12
68547 CCOC(=O)C1C(c2ccc3OCOc3c2)n2ncnc2N=C1C |c:24|
68548 O=C(NCC1COc2ccccc2O1)c1ccccc1
68549 COC(=O)c1nnn(c1CSc1nc2ccccc2s1)-c1nonc1N
68550 CSc1nc(C)cc(n1)-n1ccc(=O)[nH]c1=O
68551 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccc1C(=O)NCc1ccco1
68552 Cc1occc1C(=O)N1CCN(CC1)C(=O)C1CCCO1
68553 [H]C12OC([H])(C=C1)C(C2C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
68554 CCSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1
68555 COC(=O)c1nnn(c1CSc1ccccn1)-c1nonc1N
68556 COc1cccc2cc(C(C)=O)c(=O)oc12
68557 CC(=O)c1ccc(Cc2cnc(N)s2)cc1
68558 O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCO1
68559 O=C1CC(N2CCC(CC2)c2nc3ccccc3s2)C(=O)N1
68560 COc1ccc(C(=O)NCC=C)c(OC)c1
68561 OC(=O)C(CC(=O)c1ccccc1)c1cn(CCC#N)c2ccccc12
68562 CCOC(=O)C1C(c2c[nH]c3ccccc23)n2ncnc2N=C1C |c:24|
68563 COc1cccc2cc(C(=O)N(C)C)c(=O)oc12
68564 CCOC(=O)C1C(\C=C\c2ccccc2)n2ncnc2N=C1C |c:22|
68565 CC1CCCCN1c1ncnc2sc(C(O)=O)c(C)c12
68566 COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)o1
68567 CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
68568 CNc1nc(N)c(s1)C(=O)C(C)(C)C
68569 O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccco1
68570 Clc1cc(ccc1OCC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)N1CCCC1
68571 COc1ccc(OCCN(C)Cc2ccccc2)cc1
68572 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)N1CCN(CC1)c1ccccc1F |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
68573 CCOC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1
68574 O=C(NCCCn1ccnc1)c1ccco1
68575 CCCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
68576 CCNc1nc(N)nc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1
68577 CC(O)c1cccc(NC2=CC(=O)CC(C)(C)C2)c1 |t:9|
68578 CCOC(=O)C1C(NC(=O)NC1=CN1CCSCC1)c1cc(C)ccc1C |w:12.13|
68579 O=C(Nc1sccc1C(=O)N1CCOCC1)c1cccnc1
68580 COc1cc(ccc1F)S(=O)(=O)Nc1ccc(Cl)cn1
68581 C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccco1
68582 Cc1ccc(cc1)C(=O)c1coc2ccc(OCC(O)=O)cc12
68583 Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1
68584 Cc1onc(c1C(=O)n1cccn1)-c1ccccc1
68585 COC(=O)c1nnn(c1CSc1ccc(Cl)cc1)-c1nonc1N
68586 COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCCC3)c12
68587 CCN1CCN(CC1)C(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2=O
68588 CCOC(=O)c1ccc(cc1)\N=c1/sc(cc(=O)n1Cc1ccco1)C(=O)OC
68589 COc1ccc(cc1)C1CC(=O)N2CN(CSC2=C1C#N)c1ccc(C)c(Cl)c1 |c:19|
68590 COc1cccc(C2C(C(=O)OCc3ccccc3)C(C)=Nc3ncnn23)c1OC |c:21|
68591 COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12
68592 CCc1ccc(cc1)C1CC(Nc2nc(N)nn12)c1ccc(C)cc1
68593 COc1ccc(CCNC(=O)CN2CCOc3ccccc23)cc1OC
68594 CC(C)c1ccc(cc1)N(CC(=O)Nc1nccs1)S(=O)(=O)c1c(C)nn(C)c1C
68595 CC1=Nc2ncnn2C(C1C(=O)OCc1ccccc1)c1ccco1 |t:1|
68596 COc1cccc(c1)C1CC(c2ccc(Cl)cc2)n2nc(N)nc2N1
68597 COc1ccc(cc1)C(=O)c1coc2ccc(O)c(CN(C)C)c12
68598 CCCc1cc(no1)C(=O)Nc1cc(Br)ccc1O
68599 COc1ccc(Nc2oc(COc3ccccc3F)nc2C#N)cc1
68600 O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
68601 CC(C)OC(=O)C1C(c2c[nH]c3ccccc23)n2ncnc2N=C1C |c:25|
68602 CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(OC)cc2)c1C
68603 CCN1CCN(CCCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)CC1
68604 COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
68605 CCn1c2ccccc2c(OCC(=O)N(C)c2ccccc2F)cc1=O
68606 Cc1oc(nc1CN1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1)-c1ccccc1C
68607 COc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCC1CCCO1
68608 COc1ccc(cc1)N1C(N2CCCC2C1=O)c1ccccc1F
68609 Cc1ncsc1CCSc1nc2ccccc2c(=O)n1C
68610 CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCN(CC1)C1CCCCC1
68611 COc1ccc(cc1)-c1nn(cc1C(O)=O)-c1ccccc1
68612 CCOC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1
68613 CCOC(=O)CSc1ccc2nnc(-c3cccs3)n2n1
68614 NC(=O)c1c(NC(=O)CN2C(=O)CCC2=O)sc2CCCCCc12
68615 Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1
68616 CC(=O)N1CCc2c(C1)sc(NC(=O)CN1C(=O)CCC1=O)c2C(N)=O
68617 CCOC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1
68618 CCC(=O)Nc1sc2CN(CCc2c1C(N)=O)C(C)=O
68619 CC(=O)C(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(C)=O
68620 CCOC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1
68621 Cc1cc(C)c(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)c(C)c1
68622 COC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1
68623 O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCO1
68624 Fc1ccc(cc1)-c1nnc2ccc(SCC(=O)N3CCOCC3)nn12
68625 O=c1oc(nc2sc3CCCc3c12)-c1cccs1
68626 OCCNc1nc(nc2ccccc12)-c1cccnc1
68627 CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)ccc12
68628 O=NCc1cn(CCC#N)nc1-c1ccc(cc1)-c1ccccc1
68629 CCOC(=O)c1nnn(c1CN(CC)CC)-c1nonc1N
68630 CCOC(=O)COC(=O)c1ccc(O)cc1
68631 COC(=O)COc1ccc2occ(C(C)=O)c2c1
68632 CCCCCc1cc(O)c2c(C)cc(=O)oc2c1
68633 CC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1
68634 COC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12
68635 Cc1occc1C(=O)N1CCc2ccccc12
68636 COc1ccc(cc1OC)-c1nn(cc1CO)-c1ccccc1
68637 N#Cc1c2CCCn2c2c(ncnc12)-c1ccccc1
68638 C=C1CSc2nc(=O)c3c4CCCCc4sc3n12
68639 Fc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
68640 O=c1[nH]cnc2c(C#N)c3CCCCn3c12
68641 COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12
68642 CC1=NC(=O)NC(C1C(=O)OCc1ccccc1)c1ccccc1OC(F)F |t:1|
68643 CC1(C)CC(=O)C2C(c3ccccc3)c3c(N=C2C1)[nH]c(=S)[nH]c3=O |c:17|
68644 CC(\N=C(\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(O)=O
68645 Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1C |t:6|
68646 O=C(Nc1cccnc1)Nc1ccccn1
68647 CCOC(=O)C1C(c2cc(OC)ccc2OC)n2ncnc2N=C1C |c:24|
68648 COc1ccc2occ(C(=O)c3ccc(cc3)N=C(C)N(C)C)c2c1 |w:17.17|
68649 Clc1ccc(OC(=O)N2CCCCC2)cc1
68650 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OC)cc12
68651 CC1(C)CC(=O)C=C(C1)Nc1ccc(F)cc1F |c:6|
68652 CC1(C)CC(=O)C=C(C1)Nc1cc(n[nH]1)-c1ccccc1 |c:6|
68653 Clc1ccccc1OCC(=O)Nc1ccc2OCCOc2c1
68654 CC1(C)CC(=O)C=C(C1)Nc1ccccc1F |c:6|
68655 CCSc1ncnc2c(C#N)c3CCCCCn3c12
68656 O=c1oc(nc2sc3CCCCCc3c12)-c1cccs1
68657 CCCCCCNC(=O)C(C1CCCCC1)C(=O)OCC
68658 CC1(C)CC(=O)C=C(C1)Nc1ccc2OCCOc2c1 |c:6|
68659 CCN(CC)C(=O)COC(=O)c1ccc(O)cc1
68660 CCCc1cc(=O)oc2cc(C)c3c(C)coc3c12
68661 CCOC(=O)c1nnn(c1COc1ccccc1)-c1nonc1N
68662 Oc1ccc(cc1)C(=O)OCCN1CCCCC1
68663 CCOC(=O)c1c(N)scc1-c1ccc(C)o1
68664 CC1(C)CC(=O)C=C(C1)Nc1cccc(O)c1 |c:6|
68665 Fc1cccc(NC(=O)Nc2ccccn2)c1
68666 COC(=O)CSc1nnc(o1)-c1ccncc1
68667 CCc1nnc(NC(=O)c2cccc(OC)c2)s1
68668 OC(=O)c1ccccc1NC(=O)c1nnc[nH]1
68669 NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
68670 CCN(CC)C(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
68671 COc1ccccc1-c1cc2ccccc2[nH]1
68672 c1coc(c1)-c1nc(-c2ccccc2)c2ccccn12
68673 COCCn1nnnc1C(N1CCc2ccccc12)c1cc2cc(C)ccc2[nH]c1=O
68674 OCCN(CCO)Cc1c(O)ccc2occ(C(=O)c3cccs3)c12
68675 CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2CC)cc1
68676 CCOC(=O)c1sc(NC(=O)CSc2nnc(C(C)C)n2C)nc1C
68677 Oc1cc(c(O)n1-c1ccccc1)-c1c[nH]c2ccccc12
68678 CC1CCc2c(C1)sc1nn[nH]c(=O)c21
68679 CCOc1ccc(cc1)N1C(=O)C(Cl)C(=Nc2ccccc2O)C1=O |w:15.16|
68680 COc1ccc(cc1OC)-c1nn(cc1C(O)=O)-c1ccccc1
68681 CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2ccccc2)n1
68682 CCCc1cc(O)c2c(C)cc(=O)oc2c1
68683 Oc1ccc2oc3CCCC(=O)c3c2c1
68684 Cc1cccc(c1)-c1nnc(SCc2ccccc2)o1
68685 CCOC(=O)C1C(c2cccs2)n2ncnc2N=C1C |c:19|
68686 CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCc3ccccc3C2)n1
68687 Cc1cc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nc(N)n1
68688 COc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1
68689 O=C(NCc1ccccc1)c1ccc2nccnc2c1
68690 CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
68691 Clc1ccccc1Cc1cnc(NC(=O)C2CCCO2)s1
68692 COC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1
68693 O=c1oc(nc2sc3CCCCc3c12)-c1cccs1
68694 NNc1ncnc2n(ncc12)-c1ccccc1
68695 C(Sc1nnc(o1)-c1cccnc1)c1ccccc1
68696 CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCCC1
68697 COc1ccc(Nc2nc(N)nc(CSc3nnc(C)s3)n2)cc1
68698 Clc1ccc(OCc2nnc(SCC(=O)N3c4ccccc4CCc4ccccc34)o2)cc1
68699 CCN(CC)C(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
68700 Cn1c2nc(CN3CCN(Cc4ccccc4)CC3)[nH]c2c(=O)n(C)c1=O
68701 CC1(C)CC(=O)C2C(c3ccc(F)cc3)c3cc4OCOc4cc3N=C2C1 |c:27|
68702 CC(=O)Nc1ncc2C(=O)CC(Cc2n1)c1ccco1
68703 ClCC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1
68704 Cc1ccsc1C1C(C(N)=O)C(C)=Nc2nnnn12 |c:13|
68705 C(NCc1ccccc1)C1COc2ccccc2O1
68706 CCOc1ccc2N(C)C(C)(C)c3ssc(=S)c3-c2c1
68707 Cn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1ccco1
68708 CCN(CC)Cc1c(O)ccc2occ(C(=O)c3ccc(OC)cc3)c12
68709 O=C1NC(Nc2sc3CCCCc3c12)c1cccnc1
68710 CC1CN(CC(C)O1)C(=O)c1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1
68711 Cc1nnc(SCC(=O)Nc2ccc(Cl)cn2)[nH]c1=O
68712 Nc1c(sc(Nc2ccccc2)c1S(=O)(=O)c1ccccc1)C(=O)c1ccccc1
68713 Oc1cc(oc2cccc(=O)c12)-c1ccccc1Cl
68714 Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
68715 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1Cl
68716 Oc1ccc(Br)c2oc(cc(=O)c12)-c1ccccc1Cl
68717 Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2Cl)c1[N+]([O-])=O
68718 CC(C)CC(CO)N1CCN(CCC1=O)C(=O)c1ccc(Cl)c(Cl)c1
68719 COc1ccc(cc1)-c1noc(CSc2nnc(-c3ccccc3)n2C)n1
68720 Cc1ccc(Sc2ccc([CH-]N=[OH+])cc2[N+]([O-])=O)cc1
68721 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Sc1ccccc1
68722 CN(C)c1nc(nc(-c2ccc(Cl)cc2)c1C#N)-c1ccccc1
68723 Clc1cc(Cl)cc(NC(=O)CC2NCCNC2=O)c1
68724 CNc1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
68725 CC(C)OC(=O)c1c(C)oc2ccc(OC(=O)c3cccs3)cc12
68726 COc1ccc(Nc2nc(N)nc(CSc3nncn3C)n2)cc1
68727 CCOC(=O)c1nnn(c1CSc1ccccc1)-c1nonc1N
68728 O=C(CCc1ccccc1)Nc1ccc2OCCOc2c1
68729 CC(C)(C)c1ccc(OCC(=O)NCCN2CCCC2)cc1
68730 COc1cccc(c1)C1C2C(=O)CC(C)(C)CC2=Nc2cc3OCOc3cc12 |c:19|
68731 Brc1ccc(NC(=O)CSCCc2ccccn2)nc1
68732 COc1ccc(cc1)-c1nn(cc1CO)-c1ccccc1
68733 CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(CC1)c1ccccc1
68734 CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1
68735 CCc1ccc(NC(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)cc1
68736 CC(C)Sc1nc2N=C3CC(C)(C)CC(=O)C3C(c3cccs3)c2c(=O)[nH]1 |t:7|
68737 CC(C)OCCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
68738 CCCCc1cc(=O)oc2cc(C)cc(O)c12
68739 CCCCCOC(=O)C1C(c2cccs2)n2ncnc2N=C1C |c:22|
68740 COc1ccccc1C(=O)Oc1ccc(cc1)C(C)(C)C
68741 S=c1[nH]cnc2c(C#N)c3CCCCCn3c12
68742 Cc1ccc(Cc2cnc(NC(=O)C3CCCO3)s2)cc1
68743 CCOC(=O)c1sc(Nc2ccccc2)nc1C
68744 CCCN(CCC)CCCNc1ccc2nnc(-c3ccc(F)cc3)n2n1
68745 O=C(NCc1cccs1)c1cc(on1)C1CC1
68746 COc1nc(NCCN2CCOCC2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1
68747 COc1ccc2occ(C(C)=O)c2c1
68748 Oc1ccc(NC(=O)c2nnc[nH]2)cc1
68749 Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCc1cccnc1
68750 CC1(C)CC(CC(=O)NC(=S)Nc2ccc(cc2)[N+]([O-])=O)C(=O)O1
68751 COC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21
68752 Clc1cccc(c1)N1CCN(CC1)C(=O)C(Cc1ccccc1)n1cccc1
68753 CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1
68754 CCOC(=O)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1
68755 COCCCNC(=O)c1cccn2c1nc1cc3ccccc3cc1c2=O
68756 CCOC(=O)c1nnn(c1-c1ccccc1)-c1nc(OC)nc(n1)N1CCCC1
68757 COc1ccc(OP(C)(=O)Nc2ccccn2)cc1
68758 O=C(NCCCN1CCCC1=O)c1ccc2Sc3ccccc3C(=O)Nc2c1
68759 CC1=Nc2ncnn2C(C1C(=O)OCC=C)c1cccs1 |t:1|
68760 CN1CCc2[nH]c3ccc(cc3c2C1)C(=O)NN
68761 Brc1ccc(NC(=O)CCSCCc2ccccn2)nc1
68762 COc1ccc(cc1)C1=NOC(C1)C(=O)Nc1cccnc1 |t:9|
68763 Nc1ccc(cc1)C(=O)Nc1ccccc1C(O)=O
68764 COc1ccc(cc1)C1=[N+](O)C(C)=C(C)N([O-])C1=C |c:9,t:13|
68765 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OCC(O)=O)cc12
68766 COc1ccc(OC)c(c1)C(O)c1coc2ccc(O)c(CN(C)C)c12
68767 Cc1ccc(cc1)C(=O)c1coc2ccc(O)c(Cl)c12
68768 Oc1ccc2occ(C(=O)c3cccs3)c2c1
68769 COC(=O)c1sccc1NC(=O)c1cccc(OC)c1
68770 COc1ccc(cc1)-c1nn(cc1C#N)-c1ccccc1
68771 COC(=O)c1ccccc1OCCOc1ccccc1C(=O)OC
68772 CC(C)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
68773 CCN(CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1
68774 CCN(CC)Cc1c(O)ccc2c1occ(-c1ccc3OCCOc3c1)c2=O
68775 C(Sc1nnc(o1)-c1ccncc1)c1cccc2ccccc12
68776 Cc1ccc(CNc2nc(N)c(c(Nc3ccc(F)cc3)n2)[N+]([O-])=O)cc1
68777 Oc1ccc(cc1)-c1nnc(SC2CCOC2=O)o1
68778 C(CNc1nc(nc2c3ccccc3oc12)-c1ccccc1)Cn1ccnc1
68779 CCSc1nnc(o1)-c1ccncc1
68780 Cc1ccc(CNc2nc(N)c(c(Nc3cccc(F)c3)n2)[N+]([O-])=O)cc1
68781 Cc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccco2)c2nc3ccccc3nc12
68782 CSc1nc(NCC(C)C)c2c3CCN(C)Cc3sc2n1
68783 CSc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)c2c3CCN(C)Cc3sc2n1
68784 CCCOc1cc(C)nc(n1)-c1ccccc1O
68785 CC(C)OCCCN1CN(c2nc3ccccc3nc12)S(=O)(=O)c1cccc(Cl)c1
68786 COc1ccccc1Oc1coc2c(CN(C)C)c(O)ccc2c1=O
68787 CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc12
68788 Oc1ccc2oc3CCCCc3c2c1
68789 CCCn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc12
68790 CC(C)Cn1nc(NC(=O)c2ccccn2)c2cc3cc(C)ccc3nc12
68791 COc1ccc2occ(C(=O)c3cccs3)c2c1
68792 CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccc(C)cc3nc12
68793 CCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12
68794 Cc1c(O)c(CN2CCCCC2)cc2c1oc(=O)c1ccccc21
68795 C(Sc1nncn1-c1ccccc1)c1cn2cccnc2n1
68796 Cn1nnc2sc3CCCCc3c2c1=O
68797 Cc1cc(C)c(C#N)c(SCC(=O)c2ccc(Cl)cc2Cl)n1
68798 O=NCc1cn(nc1-c1ccc2OCCOc2c1)-c1ccccc1
68799 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)(C2)C3 |TLB:5:3:33:6.9.8,THB:2:3:9:1.33.8,5:6:33:3.34.2|
68800 Cc1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)no1
68801 C1Sc2nnc(-c3ccncc3)n2N=C1c1cccs1 |c:15|
68802 Nc1ncnc(Nc2cccc(c2)C(F)(F)F)n1
68803 CNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC
68804 Cc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2n1
68805 CCc1nnc(NC(=O)c2cc(nn2-c2ccccc2)-c2ccccc2)s1
68806 Oc1nc(sc1CC(=O)Nc1cccc(c1)C(F)(F)F)N1CCCCC1
68807 COc1ccc(cc1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:14,16|
68808 CCCc1cc(=O)[nH]c(SCCOc2ccc(OCC)cc2)n1
68809 Cc1noc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(C)cc1 |t:5|
68810 COCCn1c(SCC(=O)NC(=O)NC(C)C)nc2ccccc12
68811 CN(CC(=O)OCC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
68812 CCNC(=O)NC(=O)CSc1nc2ccccc2n1CCOC
68813 COCCn1c(SCC(=O)Nc2cccc(c2)S(N)(=O)=O)nc2ccccc12
68814 COCCn1c(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N(C)C)nc2ccccc12
68815 COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
68816 COCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc12
68817 CN(C)c1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2onc(C)c12 |c:20|
68818 Cc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccco1
68819 COCCn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccccc12
68820 CC(Cl)C(=O)Nc1ncc(cc1Cl)C(F)(F)F
68821 CCOc1ccc2NC(C)(C)c3ssc(=S)c3-c2c1
68822 COCCn1c(SCC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)nc2ccccc12
68823 CSCCC(N1C(=O)c2ccccc2C1=O)C(=O)NCc1cccs1
68824 Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O
68825 Cc1nn(c2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccncc1)-c1ccccn1 |t:5|
68826 CCN(CC)S(=O)(=O)c1cnc(Cl)c(Cl)c1
68827 O=c1n2N=C(CSc2nc2sc3CCCCc3c12)c1cccs1 |c:3|
68828 CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1OC
68829 CCCNc1nc(N)nc(n1)-c1cc(Cl)ccc1OC
68830 CCCN(CCC)c1nc(N)nc(n1)-c1cc(Cl)ccc1OC
68831 COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1O |w:6.6|
68832 COc1ccc(cc1)-c1ccc2c(N)c(sc2n1)C(=O)c1cccc(OC)c1
68833 O=C(NC(Cc1ccccc1)c1ccc2OCCCOc2c1)c1ccccc1
68834 CC1CCCCN1c1ncnc2ccccc12
68835 COCCn1c(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc2ccccc12
68836 Cc1ccccc1-c1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)o1
68837 [O-][N+](=O)c1ccccc1OCC(=O)NN=C\C=C\c1ccco1
68838 Cc1ccnc(NC(=O)c2ccccc2[N+]([O-])=O)c1
68839 Cc1ccc2c(cc3n2cn[nH]c3=O)c1
68840 Nc1nc(NCc2ccccc2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O
68841 Nc1nc(NCc2ccccc2)nc(Nc2ccc(F)cc2)c1[N+]([O-])=O
68842 CSc1nc(NCc2ccccc2)c2c3CCN(C)Cc3sc2n1
68843 Oc1ccc(CNCC2COc3ccccc3O2)cc1
68844 COc1ccc(cc1)N(CN1C(=O)C2CC=CCC2C1=O)C(=O)c1ccco1 |c:16|
68845 COc1ccc(Cl)cc1NC(=O)CS(=O)(=O)c1cccc2nsnc12
68846 OC(=O)c1ccccc1Nc1ccccc1C(O)=O
68847 CCSc1nc(N)nc(-c2cccs2)c1C#N
68848 [O-][N+](=O)c1cc([CH-]\N=[O+]\C(=O)c2cccc(Cl)c2)ccc1N1CCCCC1
68849 CON=C(CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
68850 [O-][N+](=O)c1cc([CH-]\N=[O+]\C(=O)c2c(F)cccc2F)ccc1N1CCCCC1
68851 Cc1ccc(cc1)C(=O)\[O+]=N\[CH-]c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
68852 [O-][N+](=O)c1cc([CH-]\N=[O+]\C(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCCC1
68853 FC(F)(F)c1ccc(CSc2nccn2-c2ccccc2)cc1
68854 COc1ccc2NC(C)(C)c3sn(-c4ccc(OC)c(OC)c4)c(=S)c3-c2c1
68855 [O-][N+](=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
68856 CCOc1ccc2NC(C)(C)c3sn(-c4ccc(OC)c(OC)c4)c(=S)c3-c2c1
68857 Oc1cc(SC(Nc2ccccc2)=Nc2ccccc2)c(O)n1-c1cccc2ccccc12 |w:13.14,(12.34,1.94,;10.87,1.46,;10.4,-0,;8.86,-0,;7.95,-1.25,;8.58,-2.66,;7.67,-3.9,;6.14,-3.74,;5.24,-4.99,;3.71,-4.83,;3.08,-3.42,;3.99,-2.17,;5.52,-2.34,;10.11,-2.82,;10.74,-4.23,;9.83,-5.47,;10.46,-6.88,;11.99,-7.04,;12.9,-5.79,;12.27,-4.39,;8.38,1.46,;6.92,1.94,;9.63,2.37,;9.63,3.91,;8.3,4.68,;8.3,6.22,;9.63,6.99,;10.96,6.22,;12.34,7.04,;13.73,6.25,;13.73,4.64,;12.34,3.85,;10.96,4.68,)|
68858 COc1ccc(cc1)-c1c(C)oc2ccc(C)cc12
68859 O=C(Nc1ccccc1)C(=O)Nc1ccccn1
68860 Clc1ccc(cc1)-c1nnc(-c2ccccc2)c(n1)N1CCSCC1
68861 CC[n+]1c(CC=Nc2ccccc2)sc2ccccc12 |w:6.6|
68862 [#6]-[#6]-[#7]-c1nc(-[#7])c(s1)-[#6](=[#6](\C#N)C#N)\c1ccccc1
68863 Cc1ccc(cc1)C(N(CC1CCCO1)C(=O)CNC(=O)c1cccs1)C(=O)NC1CCCCC1
68864 Brc1ccc(CC2SC(=NN=Cc3ccco3)N(CC=C)C2=O)cc1
68865 O=C(N1CC(=O)Nc2ccccc12)c1ccco1
68866 CN1\C(=C\C=C(\C#N)C(N)=O)C(C)(C)c2ccccc12
68867 CCn1c(n[nH]c1=S)-c1ccc(cc1)[N+]([O-])=O
68868 COc1ccc2N(C(=O)CSC3=NCCS3)C(C)(C)c3ssc(=S)c3-c2c1 |t:11|
68869 OC(=O)c1ccccc1N=NCc1ccnc2ccccc12 |w:9.9|
68870 COc1ccc(OCCCC(=O)NCc2ccco2)cc1
68871 CCn1c(\C=C\N(C)c2ccccc2)[n+](CC)c2ccc(Cl)cc12
68872 CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc2OCCOc2c1)C(=O)OC
68873 COc1ccc(cc1)-n1sc2c(-c3cc(OC)ccc3NC2(C)C)c1=S
68874 O=C(NC1CC1)c1sccc1NC(=O)c1ccccc1
68875 O=C(\C=C\c1ccc2ccccc2c1)c1ccoc1
68876 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1SCc1ccccc1Cl
68877 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1SCc1ccccc1
68878 COc1ccc(cc1)-c1nc(nc(Cl)c1C#N)-c1ccccc1
68879 CSc1nc2ncc3C(=O)N4CCc5ccccc5C4Cc3n2n1
68880 Nc1c(sc(Nc2ccccc2)c1C#N)C(=O)c1ccccc1
68881 CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccccc1 |w:12.13,c:5|
68882 Clc1ccc(cc1Cl)C(=O)Nc1ccnc(n1)-c1cccnc1
68883 COc1cccc(c1)-n1sc2c(-c3cc(OC)ccc3NC2(C)C)c1=S
68884 O=c1[nH]c(nc(-c2ccccc2)c1C#N)-c1ccccc1
68885 COc1ccc(cc1)-c1nc([nH]c(=O)c1C#N)-c1ccccc1
68886 COc1ccc(cc1)-c1nn(cc1C=NNS(=O)(=O)c1ccccc1)-c1ccccc1
68887 OC(=O)c1cc(ccc1Cl)-c1ccc(CN=Nc2ccc(Cl)cc2)o1 |w:16.17|
68888 CC1(C)CC(=O)C=C(C1)NCc1ccccc1 |c:6|
68889 O=c1[nH]c(N=NCc2ccccc2)nc2ccccc12 |w:4.3|
68890 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cc(C)ccn1
68891 CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c(C(=O)OCC)c1C
68892 O=C(Nc1cccc(c1)-c1cnc2ccccc2n1)c1ccccc1
68893 CCCCc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12
68894 Nc1ncnc(N(C2CCCCC2)c2ccccc2)c1[N+]([O-])=O
68895 COC(=O)c1nnn(c1CSc1nc2ccccc2o1)-c1nonc1N
68896 CC1CCCCN1c1cc(C#N)c(cc1[N+]([O-])=O)C#N
68897 OCCNc1cc(N2CCCCCC2)c(cc1[N+]([O-])=O)[N+]([O-])=O
68898 O=[#6](-[#7]-c1ccccc1)-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
68899 CC(=O)Nc1ccccc1C(=O)OCc1ccc(cc1)C(=O)c1ccccc1
68900 CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2OCCOc2c1
68901 [O-][N+](=O)c1cc(ccc1NCCCN1CCOCC1)C(=O)Nc1cccc(Cl)c1
68902 [#6]-c1ccc(cc1)-c1nn(cc1\[#6]=[#6]-1/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-1=O)-c1ccccc1
68903 [H]C12CC(C)(CN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1)CC(C)(C)C2 |TLB:7:6:2:36.35.39|
68904 CS(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)C(=O)Nc1ccccc1Sc1ccccc1
68905 CCOc1ccccc1NC(=O)N1CCC2(CC1)OCCO2
68906 Clc1ccc(cc1)-c1ccc(C=NNC(=O)Cn2nnc(n2)-c2ccccc2)o1
68907 CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
68908 Cc1ccc(SCCc2ccc(C)nc2)cc1
68909 NNc1nccc(Nc2ccccc2C(O)=O)n1
68910 CC[n+]1c(\C=C\N(C)c2ccccc2)oc2ccc(Cl)cc12
68911 CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc2OCCOc2c1
68912 CCc1cccc(C)c1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)n1C
68913 Oc1ccc(CN=Nc2ncc(Br)cn2)c(O)c1 |w:6.5|
68914 Cc1oc(C=NNC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1Br
68915 CC[n+]1c(\C=C\N(C)c2ccccc2)oc2ccc(F)cc12
68916 Cc1cccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)c1
68917 CCN1CCN(CC1)c1nc(N)c(c(Nc2cccc(C)c2)n1)[N+]([O-])=O
68918 Nc1nc(NCC2CCCO2)nc(Nc2ccc(F)cc2)c1[N+]([O-])=O
68919 Nc1nc(NCC2CCCO2)nc(Nc2ccccc2)c1[N+]([O-])=O
68920 Fc1ccccc1Nc1nc(nc2ccccc12)-c1ccncc1
68921 [O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1cccs1
68922 Cc1ccc2=NC(=O)C(NN3C(=O)c4ccccc4C3=O)=c2c1 |c:22,t:4|
68923 CC(C)CCNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O
68924 COc1ccc(CCNC(=O)C(C(=O)c2ccccc2)n2cc(Cl)ccc2=O)cc1OC
68925 COc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1 |w:6.5,c:18|
68926 COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN2CCN(CCO)CC2)C1=O
68927 Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)cc1
68928 CCN1CCN(Cc2c3O\C(=C/C=C/c4ccccc4)C(=O)c3ccc2O)CC1
68929 Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(F)cc2)c1[N+]([O-])=O
68930 CC1CN(CCN1c1cccc(C)c1)C(=O)c1csc2ccccc12
68931 CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
68932 COc1ccc2NC(C)(C)c3sn(-c4ccccc4)c(=S)c3-c2c1
68933 COc1ccc(\C=C(\NC(=O)c2ccccc2)C(=O)NN=Cc2ccncc2)c(OC)c1
68934 Cc1ccc(OCC(=O)NN=C2SCC(=O)N2Cc2ccccc2)cc1
68935 Nc1nnnn1\N=C\c1ccc(N2CCCCC2)c(c1)[N+]([O-])=O
68936 CCOC(=O)c1ccc2[n+](CC)c(\C=C\N(C)c3ccccc3)n(CC)c2c1
68937 Cc1cc(C(=O)c2ccccc2)c(NC(=O)CN2CCOCC2)s1
68938 Cc1c(Br)c(nn1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[N+]([O-])=O
68939 CC1(C)CC(=O)C2C(C3=C(N=C2C1)c1ccccc1C3=O)c1ccc(O)cc1 |c:8,10|
68940 Cc1ccc(cc1)S(=O)(=O)NCC1COc2ccccc2O1
68941 COc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1cccs1)C(=O)CS(=O)CC(=O)Nc1ccc(F)cc1
68942 CCC(=NNC(=O)CSCc1ccccc1Cl)c1ccc2OCCOc2c1 |w:3.3|
68943 CCOC(=O)C(C(=O)Nc1ccc(Cl)cc1Cl)C1=NC(C)(C)Cc2ccccc12 |t:18|
68944 CCn1c(\C=C\N(C(C)=O)c2ccccc2)[n+](CC)c2ccc(Cl)cc12
68945 NNC(=O)CNC(=O)c1ccc(F)cc1
68946 CCOC(=O)C=C(C)[N+]1=N[C-](CC1c1cccc(c1)[N+]([O-])=O)c1ccc(OC)cc1 |w:5.4,t:8|
68947 CC1CC(=O)Nc2ccc(cc2N1C)[N+]([O-])=O
68948 [O-][N+](=O)c1ccc(Cl)cc1NCCCN1CCOCC1
68949 Cc1c(Br)c(nn1CCCC(=O)N1CCN(CC1)c1ccccc1)[N+]([O-])=O
68950 [O-][N+](=O)c1ccccc1Oc1ccccc1Cl
68951 [O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccc(OC(=O)c2ccco2)cc1
68952 CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccsc1)C(=O)Nc1ccccc1F |c:13,t:1|
68953 CCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1
68954 Clc1cccc(NC(=O)NN=Cc2ccco2)c1 |w:10.9|
68955 COc1cc(C=NNC(=O)COc2ccccc2[N+]([O-])=O)ccc1OC(=O)c1ccco1
68956 Fc1cc(Cl)ccc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1
68957 CN(Cc1ccccc1)S(=O)(=O)c1ccc2NC(=O)CC(=O)Nc2c1
68958 COC(=O)C(Nc1ccc(cc1[N+]([O-])=O)C(=O)OC)C(C)C
68959 CCC(C)NC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1
68960 Fc1ccc(F)c(NC(=O)CCSCCc2ccccn2)c1
68961 CN(CCO)c1cc(N2CCC3(CC2)OCCO3)c2nonc2c1[N+]([O-])=O
68962 CCOC(=O)C1C(c2cc(OC)ccc2OC)n2ncnc2N=C1C(F)(F)F |c:24|
68963 COCCNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O
68964 Cc1ccc(Nc2nc(N)c(c(NCc3ccco3)n2)[N+]([O-])=O)cc1
68965 Cc1cccc(Nc2nc(N)c(c(NCc3ccco3)n2)[N+]([O-])=O)c1
68966 Nc1nc(Nc2ccccc2)nc(NCc2ccco2)c1[N+]([O-])=O
68967 CNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O
68968 Cc1cccc(Nc2nc(N)c(c(n2)N2CCOCC2)[N+]([O-])=O)c1
68969 CC(C)CNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O
68970 COc1cc([CH+][N-]NC(=O)c2ccc(O)cc2)ccc1Oc1ccc(cn1)[N+]([O-])=O
68971 COc1cccc(c1)C(=O)N\N=C\c1ccc(Oc2ccc(cn2)[N+]([O-])=O)c(OC)c1
68972 COc1cc(\C=N\NC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc(cn1)[N+]([O-])=O
68973 COc1ccc(cc1)-c1nn(cc1C=NNC(=S)NCC=C)-c1ccccc1 |w:14.16|
68974 COc1ccc2N(C(C)(C)c3ssc(=S)c3-c2c1)S(=O)(=O)c1ccc(C)cc1
68975 [O-][N+](=O)c1ccccc1[CH+][N-]n1c(n[nH]c1=S)C1CCCCC1
68976 N#C\[#6](=[#6]\c1cc2ccccc2nc1-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)C#N
68977 Cc1cc(NC(=O)\C=C\c2cccc(F)c2)n(n1)-c1nc2ccccc2[nH]1
68978 [O-][N+](=O)c1cc(ccc1Cl)-c1nc(no1)-c1ccncc1
68979 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)NN=Cc2ccco2)CC1
68980 Fc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
68981 [O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccccn1
68982 Cc1ccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)cc1
68983 Cc1cccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)c1
68984 Cc1ccccc1C1=NC(c2c(N1)n(C)c(=O)n(C)c2=O)(C(F)(F)F)C(F)(F)F |t:8|
68985 CN1CCN(CC1)c1nc(N)c(c(Nc2cccc(C)c2)n1)[N+]([O-])=O
68986 Cc1[n-]n(-c2ccccc2)c(=O)c1\C=[NH+]\NC(=O)COc1ccccc1[N+]([O-])=O
68987 Cn1cc([CH+][N-]NC(=O)COc2ccccc2[N+]([O-])=O)c2ccccc12
68988 CN(C)c1nc(N)c(c(NCCO)n1)[N+]([O-])=O
68989 Nc1nc(NCCO)nc(NCC2CCCO2)c1[N+]([O-])=O
68990 Nc1nc(NCCCN2CCOCC2)nc(Nc2ccccc2)c1[N+]([O-])=O
68991 CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(cc1)N1CCOCC1
68992 CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(cc3)N3CCOCC3)c2c1
68993 CC(NC(=O)\C=C\c1ccco1)c1nc2ccccc2n1Cc1ccccc1F
68994 COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Cl)cc4)c3c2c1
68995 COc1ccc2oc3cc(C)[n+]([O-])c(-c4ccc(Br)cc4)c3c2c1
68996 OC(=O)CCn1cc(\C=C/C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
68997 Cc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)cc1C
68998 Nc1nc(NCC2CCCO2)nc(NCC2CCCO2)c1[N+]([O-])=O
68999 Nc1nc(Nc2ccccc2)nc(N2CCOCC2)c1[N+]([O-])=O
69000 COc1ccc2cc(C(N)=O)c(=NNC(=O)c3ccco3)oc2c1
69001 COCCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O
69002 Fc1cccc(CN=Nc2ncnc3nc[nH]c23)c1 |w:8.8|
69003 COc1ccc(cc1OC)-c1nn(cc1\C=C(/C#N)S(=O)(=O)c1ccccc1)-c1ccccc1
69004 CCc1ccc(cc1)C1NC(=S)N=C2CC(C)(C)CC(=O)C12 |t:13|
69005 CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)o2)s1
69006 Fc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc12
69007 Fc1ccc(CSc2ccc3nnc(-c4cccs4)n3n2)cc1
69008 Fc1ccc(cc1)S(=O)(=O)c1nc(oc1Nc1ccccc1)-c1ccco1
69009 C(Sc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1
69010 Cc1cccc(CSc2ccc3nnc(-c4cccs4)n3n2)c1
69011 COc1ccc(cc1)-c1nnc(NC(=O)C2=COCCO2)o1 |t:16|
69012 Cc1ccc(CSc2ccc(nn2)-c2cccs2)cc1
69013 CCOC(=O)CCCSc1nnc(CCCCCN2C(=O)c3cccc4cccc(C2=O)c34)o1
69014 Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(N1CCOCC1)c1cccs1
69015 CCCCOc1ccc(\C=C\C(=O)OCC(=O)N2CC(=O)Nc3ccccc23)cc1OCC
69016 NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2C2CC2)cc1
69017 O=C1N=C(NCc2ccccc2)SC1=Cc1ccccc1 |w:14.16,t:2|
69018 COC1=C\C(=C\c2c(N)n3cc(C)sc3nc2=O)C=CC1=O |c:20,t:2|
69019 CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nccc(C)n2)c1C
69020 COc1ccc(cc1[N+]([O-])=O)-c1nn(CCC(O)=O)cc1\C=C\C(O)=O
69021 CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)OCC(=O)Nc1ccc(Cl)cn1
69022 COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc3SCC(=O)Nc3c2)c1C
69023 Cc1ccc(C=NNC(=O)c2cncc(Br)c2)o1
69024 Cc1c([CH+][N-]NC(=O)COc2ccccc2[N+]([O-])=O)c2ccccc2n1C
69025 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1ccc(Br)o1
69026 Brc1ccc(cc1)C1=NN(C(C1)c1ccco1)C(=O)C1CCCO1 |t:8|
69027 COc1ccc(cc1OC)-c1nn(cc1C=NNC(N)=S)-c1ccccc1 |w:16.18|
69028 CC(CC(=O)Nc1ccc(F)c(c1)[N+]([O-])=O)c1ccccc1
69029 COc1ccc(Cl)cc1-n1c(C)ccc1C |(3.08,-1.18,;4.41,-.41,;5.75,-1.18,;5.75,-2.72,;7.08,-3.49,;8.41,-2.72,;9.75,-3.49,;8.41,-1.18,;7.08,-.41,;7.08,1.13,;8.33,2.03,;9.79,1.55,;7.85,3.49,;6.31,3.49,;5.84,2.03,;4.37,1.55,)|
69030 COc1cc(cc(OC)c1OC)-c1n[nH]c2OC(=N)C(C#N)C(c3ccco3)c12
69031 CCn1c(n[nH]c1=S)-c1nn(C)cc1Cl
69032 COc1cccc(c1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:14,16|
69033 Cc1ccnc(NC(=O)Cn2ccc(n2)[N+]([O-])=O)c1
69034 COc1cc([CH-]N=[O+]C)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |w:7.7|
69035 COc1ccc(cc1)C(=O)OCCc1ccc(O)cc1
69036 NC(=O)c1ccc(Oc2ccc(Cl)c3ccccc23)c(c1)[N+]([O-])=O
69037 CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)Nc2ccccc2C#N)ccc1Cl
69038 CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1ccccc1)\C#N
69039 FC(F)(F)C(=O)\C=C\N1CCC(CC1)C(=O)OCC(=O)Nc1ccccc1
69040 Cc1ccc(c(C)c1)-c1cc(C(=O)NCCc2ccccn2)c2ccccc2n1
69041 Cc1nn(c(Cl)c1C(=O)NCc1cccs1)-c1ccccc1
69042 CCOc1ccc(NC(=O)COC(=O)c2ccc3C(=O)N(CCc4ccccc4)C(=O)c3c2)cc1
69043 CC(C)(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
69044 COc1ccc(cc1OC)-c1nn(cc1CN=Nc1ccccn1)-c1ccccc1 |w:16.17|
69045 COc1ccc(cc1OC)-c1nn(cc1CN=Nc1ccc2ccccc2n1)-c1ccccc1 |w:16.17|
69046 CCOc1ccc(cc1)C(=O)NCC(=O)OCc1c(C)noc1C
69047 Cc1nn(c(N2CCCC2)c1C=NNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(C)cc1C)-c1ccccc1
69048 NS(=O)(=O)c1cccc(NC(=O)COC(=O)C(=C\c2cccs2)\c2cccs2)c1
69049 FC(F)Oc1ccc(cc1)C(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
69050 CCNc1ccc(cc1NCC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)N(C)C
69051 CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
69052 [O-][N+](=O)c1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2)cc1
69053 CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1
69054 [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-c1nn(cc1-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccccc1 |w:16.18|
69055 CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccc(Br)cc2)ccc1Cl
69056 CCOC(=O)c1c(C)oc2c(CC(=O)c3ccccc3)c(Cl)c(O)c(O)c12
69057 Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
69058 CC(C)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1
69059 COc1ccc(Cl)cc1-c1nc(N)nc(n1)N(C)C
69060 Clc1ccc2Sc3ccccc3C(=S)Nc2c1
69061 [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)-n1nnnc1-c1ccccc1
69062 COc1ccc(Cl)cc1-c1nc(N)nc(NC2CCCCC2)n1
69063 CN(C)C(=O)OCCc1n(C)cc[n+]1C
69064 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OC(C)=O)cc12
69065 [O-][N+](=O)c1ccc(NC(=O)C2CC2)nc1
69066 CN(C)CCOC(c1ccc(C)cc1)c1cccc(c1)C(F)(F)F
69067 COc1cccc(c1)C(=O)CN1C=CC=CC1=C[NH+]=O |w:17.19,c:13,15|
69068 Cc1nn(C)c(C(=O)N2CCc3ccccc23)c1Br
69069 Cn1nnnc1Sc1c(Cl)cccc1[N+]([O-])=O
69070 [O-][N+](=O)c1cccc(\C=C(\NC(=O)c2ccccc2)C(=O)NCC=C)c1
69071 COc1cccc(c1)-n1c(Cn2nc(cc2C(F)F)C(F)F)n[nH]c1=S
69072 COc1cccc(c1)N=Nc1c(N)[nH][nH]c1=O |w:8.8|
69073 ON1C(Nc2ccccc2C1=O)c1c[nH]nc1-c1ccccc1
69074 CC(CC(=O)NCc1ccccc1)=NNC(=O)c1cnccn1 |w:13.14|
69075 CC(C)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
69076 CC(C)C(=O)NN=C(C)C=Cc1ccccc1F |w:6.5,10.10|
69077 CC1=NC2=C(C(C1C#N)c1ccc(O)cc1)C(=O)CC(C)(C)C2 |c:3,t:1|
69078 Oc1c(C=NCc2ccco2)c(=O)[nH]c(=S)n1-c1ccccc1F |w:4.4,(5.66,-2.34,;6.99,-1.57,;6.99,-.03,;5.66,.74,;5.66,2.28,;4.33,3.05,;4.33,4.59,;5.57,5.5,;5.1,6.96,;3.56,6.96,;3.08,5.5,;8.33,.74,;8.33,2.28,;9.66,-.03,;9.66,-1.57,;10.99,-2.34,;8.33,-2.34,;8.33,-3.88,;9.66,-4.65,;9.66,-6.19,;8.33,-6.96,;6.99,-6.19,;6.99,-4.65,;5.66,-3.88,)|
69079 O=C1CCCC2=Nc3ccccc3NC(C12)c1cccs1 |t:5|
69080 Cc1ccc(NC(=O)c2ccc(cc2)N(CC=C)S(C)(=O)=O)cc1C
69081 CC(C)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNC(=O)c2ccc(cc2)C(C)C)CC1
69082 COc1ccc(cc1OC)C(=O)Nc1ccc(cn1)[N+]([O-])=O
69083 CC(C)Nc1nc(NC(C)C)nc(NC(N)=S)n1
69084 CC(=O)NCC1COc2ccccc2O1
69085 COc1ccc(cc1)-c1nnc2ccc(SCc3ccccc3)nn12
69086 O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc2C(=O)NC(=O)c12
69087 Cc1nnc(SCC(=O)Nc2nccs2)n(N)c1=O
69089 Nc1ncnc(N2CCc3ccccc23)c1[N+]([O-])=O
69090 O=C(CN1C(=O)CCC1=O)Nc1cccc2C(=O)NC(=O)c12
69091 Oc1ccc(cc1)-c1nncn1-c1ccccc1
69092 CC1=NN(C(=O)CCc2ccc3OCOc3c2)C(O)(C1)C(F)(F)F |t:1|
69093 CC(=O)Nc1c(N)c2ccccc2oc1=O
69094 CC(C(=O)Nc1cc(C)ccn1)n1cc(cn1)[N+]([O-])=O
69095 CC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
69096 Cc1ccnc(NC(=O)Cn2cc(cn2)[N+]([O-])=O)c1
69097 CC(C(=O)Nc1cccc(C)n1)n1cc(cn1)[N+]([O-])=O
69098 CC(C(=O)NCc1ccco1)n1cc(cn1)[N+]([O-])=O
69099 CCOC(=O)CNC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1
69100 O=C(CN1C(=O)CCC1=O)Nc1cccc(NC(=O)CN2C(=O)CCC2=O)c1
69101 CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
69102 CCCNC(=O)c1ccc(SCC(=O)N(CC)CC)c(c1)[N+]([O-])=O
69103 CC(C(=O)Nc1cccnc1)n1cc(cn1)[N+]([O-])=O
69104 O=C(COc1ccc2ccccc2c1)Nc1cccc2C(=O)NC(=O)c12
69105 CCOC(=O)Cc1csc(NC(=O)c2c(O)c3ccccc3n(CCC(C)C)c2=O)n1
69106 Clc1ccc(\C=C2/SC(=O)N(CCNC(=O)C3COc4ccccc4O3)C2=O)cc1Cl
69107 CC1=C(C(C2C(=O)CCCC2=N1)c1cccs1)C(=O)Nc1ccccc1F |c:11,t:1|
69108 COc1cccc(CN=Nc2cc(Cl)nc(C)n2)c1O |w:8.7|
69109 O=C(C1CCCN(Cc2nc(Cc3ccccc3)no2)C1)c1cccnc1
69110 CC(C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)n1cc(cn1)[N+]([O-])=O
69111 CC(C(=O)NCc1cc(C)nc2ccccc12)n1cc(cn1)[N+]([O-])=O
69112 Cc1cc(Cl)nc(Cl)c1C(=O)N1CCOCC1
69113 COC(=O)c1nnn(c1CSc1nnc(C)s1)-c1nonc1N
69114 CC(=O)N1CCC(=O)Nc2ccc(cc12)[N+]([O-])=O
69115 COC(=O)c1nnn(c1CSc1nnc(N)s1)-c1nonc1N
69116 O=C(Nc1ccc2OCOc2c1)Nc1ccccn1
69117 CCCCc1cc(=O)oc2cc(O)cc(O)c12
69118 Cc1c(Cc2ccccc2)c(=O)oc2cc(O)cc(O)c12
69119 Cn1ncc(Br)c1C(=O)Nc1cccc(c1)C(F)(F)F
69120 OC1(CCCCC1)C#CCN1CCOCC1
69121 CCOC(=O)c1nnn(c1CSc1nnc(N)s1)-c1nonc1N
69122 CNc1nc(N)nc(n1)-c1cc(Cl)ccc1OC
69123 CN1CCN(CC1)\N=C\c1ccc(o1)-c1ccc(cc1Cl)[N+]([O-])=O
69124 [O-][N+](=O)c1ccc(CC(=O)Nc2ccc3C(=O)NC(=O)c3c2)cc1
69125 CCN(Cc1ccccc1)S(=O)(=O)c1ccc2NC(=O)CC(=O)Nc2c1
69126 CNCCCOc1cc(C)cc(C)c1C
69127 Cc1ccc(cc1)-c1nn(cc1CNCc1ccccc1)-c1ccccc1
69128 COc1cccc(c1)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
69129 COc1cccc(c1)C(=O)NCC(=O)NN=C(C)C=Cc1ccccc1 |w:15.15,19.20|
69130 Cc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)Nc1ccccc1
69131 Cc1ccc2N=C3CC(C)(C)CC(=O)C3C(Nc2c1)c1cccs1 |t:5|
69132 Cc1ccc(CSc2nnc(o2)-c2ccncc2)c(C)c1
69133 [O-][N+](=O)c1cc(\C=N\n2cnnc2)ccc1N1CCCC1
69134 COc1ccc(C2C(C(C)=O)C(=O)C(=O)N2c2nccs2)c(OC)c1
69135 CSc1nc2N=C3CCCC(=O)C3C(c3cccs3)n2n1 |t:5|
69136 CCOc1ccc(NC(=O)Nc2cnccn2)cc1
69137 COc1cc(NC(=S)Nc2ccccn2)c(OC)cc1Cl
69138 Brc1ccc(CSc2nnc(o2)-c2cccnc2)cc1
69139 OC(=O)COc1ccc2oc3ccccc3c2c1
69140 COc1ccc(cc1)-c1nn(cc1CN=Nc1ccccn1)-c1ccccc1 |w:14.15|
69141 COc1ccc2occ(C(=O)c3ccccc3)c2c1
69142 O=NCc1cn(nc1-c1cccnc1)-c1ccccc1
69143 CCOC(=O)Cc1csc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)n1
69144 COc1cccc(c1)C(=O)Nc1ccc(cc1)C(=O)NCC(C)C
69145 CC(NCCC(Cc1ccccc1)c1ccco1)c1ccccc1
69146 OC(=O)CCn1cc(C=O)c(n1)-c1cccc(Cl)c1
69147 c1ccc(cc1)-c1nnc(nc1-c1ccccc1)-c1ccncc1
69148 Fc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
69149 OC(=O)CCn1cc(C=O)c(n1)-c1cccc(Br)c1
69150 CCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12
69151 [O-][N+](=O)c1ccccc1C(=O)Nc1ccc(cc1)N1CCN(Cc2ccccc2)CC1
69152 CCn1nc(NC(=O)C2CCCO2)c2cc3cc(C)ccc3nc12
69153 O=C(CSc1nnc(o1)-c1ccncc1)Nc1ccccc1C#N
69154 COC(=O)c1nnn(c1COc1ccc(C=O)cc1OC)-c1nonc1N
69155 O=C(Nc1ccncc1)c1ccccc1-c1ccccc1
69156 O=C(COc1ccccc1)Nc1ccc2C(=O)N(CC3CCCO3)C(=O)c2c1
69157 N#Cc1ccccc1CSc1nnc(Cc2ccccc2)o1
69158 CCc1ccc(Oc2ncnc(N)c2[N+]([O-])=O)cc1
69159 Cc1ccc(SCC(=O)Nc2ccc3C(=O)NC(=O)c3c2)cc1
69160 CC(C)N(C(C)C)C(=O)Cc1ccccc1[N+]([O-])=O
69161 CCC(C)NCCOCCOc1ccc(Cl)cc1Br
69162 NC(=O)c1c(NC(=O)CCCn2cnc(n2)[N+]([O-])=O)sc2CCCCc12
69163 CC(C(=O)NCC1CCCO1)n1cc(cn1)[N+]([O-])=O
69164 CCOC(=O)c1cnc2ccccc2c1Nc1ccc(cc1)C(O)=O
69165 CCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1
69166 Fc1ccc(CSc2nnc(o2)-c2cccnc2)cc1
69167 Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cccc(O)c1
69168 CN(C)CC(=O)N1c2ccccc2Sc2ccc(Cl)cc12
69169 CC(=O)NC(=S)Nc1ccccc1N1CCCCC1
69170 CC1(C)CC(=O)C(CO1)C1(O)C(=O)Nc2ccccc12
69171 COc1ccc(NC(=O)Nc2ccccn2)cc1OC
69172 COc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1OC
69173 Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)c2ccccc2)c(F)c1
69174 Cc1cc(CNC(=O)c2cc(COc3c(F)cccc3F)on2)nn1C
69175 CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc2cn(CC)nc2C)CC1
69176 CN(Cc1nc2CCCCc2s1)C(=O)CCc1nnc(o1)-c1ccc2OCOc2c1
69177 OCC1(Cc2ccccc2)CCN(Cc2ccc(cc2)-c2ccco2)CC1
69178 Fc1cccc(CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)c1
69179 CCCOC1CCCN(Cc2cn(C)nc2-c2ccccc2F)C1
69180 NS(=O)(=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
69181 CN(C)\N=N\c1ccc(cc1)S(N)(=O)=O
69182 [H]C12CCC([H])(C=C1)C1C2C(=O)N(N=Cc2ccc(o2)-c2ccc(Cl)c(c2)C(O)=O)C1=O |c:6,TLB:10:9:3.2:6.7,THB:30:8:3.2:6.7|
69183 CN(C)Cc1c(O)ccc2c(cc(=O)oc12)-c1ccccc1
69184 Fc1ccc(cc1)-c1nnc(SCc2cccnc2)o1
69185 OC(=O)CCn1cc(C=O)c(n1)-c1cccc2ccccc12
69186 CCOc1ccccc1N1CCN(CC1)S(=O)(=O)c1cc(C)ccc1OC
69187 OC(=O)\C=C\c1cccc2OCCOc12
69188 NC(=O)CN(c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
69189 CCOC(=O)c1cnc2ccc(cc2c1Nc1ccc(cc1)C(O)=O)C(=O)OC
69190 [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCc2ccccc2C1
69191 NC(=O)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
69192 [O-][N+](=O)c1cc(Cl)ccc1N1CCCCC1
69193 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1cc(C)ccn1
69194 Cn1c2ccccc2n(CCC(O)=O)c1=S
69195 O=C(CCC(=O)N(CC(=O)NCc1ccccc1)Cc1cccs1)Nc1ccccn1
69196 Cc1ccc(cc1)-c1n[nH]c(=S)n1N=Cc1ccncc1 |w:13.14|
69197 COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O
69198 Cc1[nH][nH]c(=O)c1N=Nc1ccccc1C#N |w:7.7|
69199 Cc1ccnc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1
69200 CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1cccs1 |c:16|
69201 OC1COC(C(O)C1O)n1ccc2ccc(cc12)[N+]([O-])=O
69202 COc1cccc(c1)N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1nccs1
69203 C[N+](C)=c1ccn(CC(=O)N2c3ccccc3Sc3ccccc23)cc1 |(7.44,13.06,;6.14,12.3,;4.83,13.06,;6.14,10.79,;7.44,10.04,;7.44,8.53,;6.14,7.78,;6.14,6.27,;4.83,5.51,;3.52,6.27,;4.83,4,;3.52,3.25,;2.18,4.06,;.81,3.28,;.81,1.71,;2.18,.94,;3.52,1.74,;4.83,.99,;6.14,1.74,;7.49,.94,;8.85,1.71,;8.85,3.28,;7.49,4.06,;6.14,3.25,;4.83,8.53,;4.83,10.04,)|
69204 CN1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
69205 COc1ccc(CNC(=O)CN(Cc2cccs2)C(=O)CCC(=O)Nc2ccccn2)cc1
69206 Cc1cc2c(nc(oc2=O)-c2ccc(F)cc2)s1
69207 CCCCC(CC)C(=O)Nc1ncc(s1)[N+]([O-])=O
69208 COc1ccc2=NC(=O)C(NN3C(=O)c4ccccc4C3=O)=c2c1 |c:23,t:5|
69209 CCCCC(=O)Nc1cc(C)c(NC(=O)c2cccs2)cn1
69210 COc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1OC
69211 [H]C12CC([H])(C=C1)C1C2C(=O)N(CCCCCCN2C(=O)C3C(C2=O)C2([H])CC3([H])C=C2)C1=O |c:5,34,TLB:32:7:2:6.5,23:22:27:30.31,THB:19:21:27:30.31,9:8:2:6.5|
69212 Brc1ccc(C=NNC(=O)c2cccnc2)s1
69213 COc1ccc2nc(NC(=O)C3CCCO3)sc2c1
69215 Cc1ccc(CC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1
69216 Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2cccs2)c1
69217 COc1nc(nc(n1)N(CCOC(C)=O)C#N)N(C)C
69218 CCc1ccccc1-n1c(O)cc(N2CCc3ccccc23)c1O |(13.37,-.43,;11.96,.2,;11.8,1.73,;13.05,2.64,;12.89,4.17,;11.49,4.8,;10.24,3.89,;10.4,2.36,;9.15,1.46,;7.69,1.94,;7.21,3.4,;6.78,.69,;7.68,-.55,;7.2,-2.02,;8.1,-3.26,;7.2,-4.5,;5.75,-4.03,;4.41,-4.8,;3.08,-4.03,;3.08,-2.49,;4.41,-1.72,;5.75,-2.49,;9.15,-.08,;10.39,-.99,)|
69219 O=C(Cc1ccccc1)Nc1ccc(cc1)N1CCOCC1
69220 Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2cccs2)c1
69221 COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1
69222 [O-][N+](=O)c1cc(Cl)ccc1N1CCCC1
69223 O=C(Nc1ccccc1)Nc1ccncc1
69224 CC1(C)CC(=O)C2C(c3cccs3)n3ncnc3N=C2C1 |c:20|
69225 CC(Cc1c[nH]c2ccccc12)NC(=O)OCCCl
69226 O=C(Nc1ccccn1)C(=O)Nc1ccccn1
69227 FC(F)(F)c1nnc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)s1
69228 Cc1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(C)c1
69229 CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccsc1)C(=O)OCC1CCCO1 |c:13,t:1|
69230 COc1cc([CH+][N-]NC(=O)c2ccncc2)ccc1Oc1ccc(cn1)[N+]([O-])=O
69231 [O-][N+](=O)c1ccccc1OCC(=O)NN=Cc1ccncc1
69232 CC(=O)N(\C=C/C=C/C=C1\Sc2ccccc2C1=O)c1ccccc1
69233 CN1CCN(CC1)c1cc(ccc1Cl)[N+]([O-])=O
69234 CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3)ccc2n1
69235 COc1cc([CH-]N=[OH+])ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
69236 Cc1ccnc(NC(=O)c2cccc(c2C)[N+]([O-])=O)c1
69237 CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2n1
69238 FC(F)(F)COc1ccc(nn1)-n1ccnc1
69239 CC(=O)Oc1cccc(c1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1cccnc1
69240 Cc1ccc2Oc3ccc(cc3C(=O)Nc2c1)[N+]([O-])=O
69241 CC(C(=O)Nc1nc2ccccc2s1)n1cc(cn1)[N+]([O-])=O
69242 CC(C)(C)c1ccc(C=Nn2cnnc2)cc1
69243 Cc1ccc(OCC(=O)NN=Cc2ccccc2)c(c1)[N+]([O-])=O
69244 CCOc1ccc(C=c2c(=O)[nH]c3cc(=C)on3c2=N)cc1OC |w:7.6|
69245 Cc1ccc(OCCn2c3ncnc(N)c3[nH]c2=S)cc1
69246 OCCNC(=O)Nc1ccc2nsnc2c1
69247 CC(C)NC(=O)C(=O)NN=C(C)CC(=O)Nc1cc(C)ccn1 |w:9.8|
69248 O=C(NCCc1nnc2ccc(NCC3CCCO3)nn12)c1ccccc1
69249 O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)NC1CCCCC1
69250 Cc1ccc(OCC(=O)N\[NH+]=C\c2ccc([O-])c(c2)[N+]([O-])=O)c(c1)[N+]([O-])=O
69251 CC(=O)N1CCc2c(C1)sc(NC(=O)CN1C(=O)c3ccccc3C1=O)c2C(N)=O
69252 CCOC(=O)CSc1ccc2nnc(CCNS(=O)(=O)c3ccccc3)n2n1
69253 COc1cccc(c1)C(=O)Nc1nc(cs1)-c1ccncc1
69254 COC(=O)c1ccc(CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)o1
69255 COc1ccc(Nc2nc3ccc(OC)cc3s2)cc1
69256 C(Sc1ccc2nnc(-c3ccccn3)n2n1)c1ccccc1
69257 Fc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
69258 CC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
69259 CCOC(=O)CNC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1
69260 CC1CCCCN1c1ncnc(N)c1[N+]([O-])=O
69261 CCSc1ccc2nnc(-c3cccs3)n2n1
69262 Cc1ccc(CSc2ccc3nnc(-c4ccccn4)n3n2)cc1
69263 CSc1nnc2ccc(nn12)-c1cccs1
69264 O=C(CN1C(=O)CCC1=O)Nc1ccc(Cc2ccc(NC(=O)CN3C(=O)CCC3=O)cc2)cc1
69265 Cc1ccccc1CSc1ccc2nnc(-c3ccccn3)n2n1
69266 CCc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:8.8|
69267 Cc1ccsc1CN=Nc1ncnc2nc[nH]c12 |w:8.9|
69268 C(N=Nc1ncnc2nc[nH]c12)c1cccs1 |w:2.2|
69269 Clc1ccc(CN=Nc2ncnc3nc[nH]c23)cc1 |w:7.7|
69270 CCN1CCc2c(C1)sc(NC(=O)CN1C(=O)c3ccccc3C1=O)c2C(N)=O
69271 CC(C)N1CCc2c(C1)sc(NC(=O)CCc1ccccc1)c2C(N)=O
69272 Cc1ccccc1CN=Nc1ncnc2nc[nH]c12 |w:9.10|
69273 COc1ccc(cc1)-c1csc(n1)N(CC1CCCO1)C(=O)c1ccccc1
69274 CC(C)Nc1nc(nc(-c2ccc(Cl)cc2)c1C#N)-c1ccncc1
69275 Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c3cccs3)c12 |t:5|
69276 COc1cccc(CCNC(=O)c2ccc(cc2)C#N)c1
69277 CN1CCN(CC1)c1nc(nc(-c2ccccc2)c1C#N)-c1ccccc1
69278 CN1CCN(CCC2Oc3cc(ccc3NC2=O)[N+]([O-])=O)CC1
69279 N#Cc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
69280 CC(N=O)c1ncc(cc1Cl)C(F)(F)F
69281 COC(=O)C(C(=O)OC)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
69282 [O-][N+](=O)c1ccccc1Oc1ccc(Cl)c2cccnc12
69283 CCN1CCN(CC1)c1c(cnc2ccccc12)C(=O)c1ccc(OC)cc1
69284 Clc1ccccc1NC(=O)N1CCSc2ccccc12
69285 CCOCCOC(=O)c1ccc(nc1)-n1cnc(C)n1
69286 CN(C)\C=C\C(=O)c1cnc(s1)-c1cccc(Cl)c1
69287 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1ccccc1Cl
69288 O=C(NNC(=O)c1cc2cc3ccccc3nc2s1)C1CC1
69289 CC(C)(C)Sc1ccc([CH-]N=[OH+])cc1[N+]([O-])=O
69290 CCN1CCN(CC1)c1c(cnc2ccc(OC)cc12)C(=O)c1ccc(CC)cc1
69291 C[O+]=N[CH-]c1ccc(Oc2ccc(C)cc2)c(c1)[N+]([O-])=O |w:1.0|
69292 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1ccc(F)cc1
69293 CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CCN(CC)CC3)c2c1
69294 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1Oc1cccc(Cl)c1
69295 C(CNCC1COc2ccccc2O1)Cc1ccccc1
69296 C[O+]=N[CH-]c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O |w:1.0|
69297 CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccn1
69298 CCOc1cc(ccc1O)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:21|
69299 Cc1[nH]nc2N=C3CC(C)(C)CC(=O)C3C(c12)c1ccc(O)cc1 |t:5|
69300 C(CCc1ccccc1)CNCC1COc2ccccc2O1
69301 O=C(Nc1cccc(NC(=O)c2ccc3OCOc3c2)c1)c1ccccc1
69302 Cc1ccccc1CSc1nnc(o1)-c1ccncc1
69303 O=C(NN=Cc1ccco1)c1ccn[nH]1 |w:3.2|
69304 Cc1ccc(cc1)C(=O)COC(=O)c1ccc(O)cc1
69305 Cc1ccc2NC(=O)c3cc(ccc3Oc2c1)[N+]([O-])=O
69306 O=c1[nH]c(nc(-c2ccccc2)c1C#N)-c1ccncc1
69307 NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
69308 [O-][N+](=O)c1c([nH][nH+]c1-c1cn[nH]c1)-c1cn[n-]c1
69309 OC(=O)c1ccccc1Nc1ccnc(Cl)n1
69310 Clc1ccc(c(Cl)c1)-n1c(=O)[nH]c2ccccc2c1=O |(3.08,-3.17,;4.41,-2.4,;5.75,-3.17,;7.08,-2.4,;7.08,-.86,;5.75,-.09,;5.75,1.45,;4.41,-.86,;8.41,-.09,;8.41,1.45,;7.08,2.22,;9.75,2.22,;11.08,1.45,;12.46,2.27,;13.85,1.48,;13.85,-.12,;12.46,-.92,;11.08,-.09,;9.75,-.86,;9.75,-2.4,)|
69311 COc1cccc(c1)C1C2C(=O)CCCC2=Nc2[nH]n(-c3ccccc3)c(=O)c12 |c:17|
69312 CSc1nc2N=C3CC(C)(C)CC(=O)C3C(c3ccccc3)c2c(=O)[nH]1 |t:5|
69313 COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)ccc1OCC(O)=O |w:7.7|
69314 Cc1ccc(OCC(=O)N\[NH+]=C\c2ccc([O-])cc2)c(c1)[N+]([O-])=O
69315 CCCCCCCCCCCCC(=O)CCCCC(O)=O
69316 Oc1ccc(O)n1-c1ccc(cc1)C(=O)Nc1cccc2C(=O)NC(=O)c12
69317 COc1cc(OC)c2c(cc(=O)oc2c1)-c1ccccc1
69318 Oc1ccc(O)n1-c1cccc(c1)C(=O)Nc1cccc2C(=O)NC(=O)c12
69319 [#7]\[#6](-[#7])=[#7]\[#7]-[#6]-1=c2cc(Br)ccc2=[#7]-[#6]-1=O |c:5,13|
69320 CC(C)N1CCc2c(C1)sc(NC(=O)CN1C(=O)c3ccccc3C1=O)c2C(N)=O
69321 Fc1ccc(cc1)-c1nc([nH]c(=O)c1C#N)-c1ccccc1
69322 COc1ccc(NC(=O)c2ccc(s2)-c2ccc(OC)cc2)cc1
69323 OCCCCO[C@@H]1C[C@@H](C=C(O1)C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(F)(F)F |c:9|
69324 CCO[C@H]1OC(=C[C@@H](C)[C@@H]1CCCO)C(=O)N1CCN(Cc2ccccc2)CC1 |c:5|
69325 O=c1n(ncc2ccccc12)-c1nc2ccccc2[nH]1
69326 O=C(COC(=O)c1cc(=O)c2ccccc2o1)NC1CCCC1
69327 [O-][N+](=O)c1cccc(c1)-c1nn(CCC#N)cc1CN=O
69328 CCC1(CC)NC(=O)N(CC(=O)OCC(=O)Nc2sccc2C#N)C1=O
69329 Clc1ccc(cn1)C(=O)N1CCN(C\C=C\c2ccccc2)CC1
69330 COc1ccc2c(CC(=O)Nc3ncc(C)s3)coc2c1
69331 COc1ccc(cc1)-c1nn(CCC#N)cc1CN=O
69332 COc1ccc(cc1OC)-c1nn(CCC#N)cc1CN=O
69333 COc1cc(CN=Nc2ccccn2)ccc1OCC=C |w:6.5|
69334 [O-][N+](=O)c1cc([CH-]N=[OH+])ccc1N1CCCC1
69335 COc1cc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1
69336 O=C1CN(CCN1)c1nc(nc2sc3CCCCc3c12)-c1cccnc1
69337 [O-][N+](=O)c1cc([CH+][N-]NC(=O)c2cccnc2)ccc1N1CCCC1
69338 CN(C)c1ccc(cc1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:20|
69339 CC1Cc2ccccc2N1C(=O)COC(=O)c1cnc(C)cn1
69340 COc1cccc(c1)C1C2C(=O)CC(C)(C)CC2=Nc2n[nH]c(C)c12 |c:19|
69341 Cc1cccc(C)c1OP(C)(N)=O
69342 CC(=O)Nc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
69343 C(CNc1nc(nc2ccccc12)-c1ccccc1)Cn1ccnc1
69344 C(CNc1nc(nc2ccccc12)-c1cccnc1)Cn1ccnc1
69345 CCc1nnc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)s1
69346 CC(OC(=O)COc1ccccc1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
69347 COc1ccc(cc1OC)-c1nn(cc1\C=C\C(=O)N1CCOCC1)-c1ccccc1
69348 CCCCC(=O)Nc1nc2c(OC)cc(cc2s1)[N+]([O-])=O
69349 Cc1cc(NC(=O)COc2cccnc2[N+]([O-])=O)no1
69350 CCOc1ccc(CN=Nc2ccccn2)cc1OC |w:8.7|
69351 O=C(Nc1ncnc2sc3CCCCc3c12)c1ccncc1
69352 CN1CCN(CC1)\[NH+]=C1/C(=O)[N-]c2ccc(cc12)[N+]([O-])=O
69353 COc1ccc2nc(NC(=O)CCNC(=O)c3ccccc3Cl)sc2c1
69354 [O-][N+](=O)c1cnc(NC(=O)Nc2ccccc2)s1
69355 COc1ccc(cc1)-c1nn(cc1N)-c1ccccc1
69356 COc1cc(\C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc(OC)c1O
69357 CCOC(=O)C1CCN(CC1)c1cc(C)nc2ccc(OC)cc12
69358 [O-][N+](=O)c1cc(C=O)ccc1N1CCCC1
69359 COCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc12
69360 COc1ccccc1NC(=O)C(C)Nc1ccc(C)c(Cl)c1
69361 COCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccncc1
69362 Cc1ccc(C(=O)NN=C2CCCc3ccccc23)c(C)c1 |w:8.7|
69363 OC(=O)C(=Cc1c[nH]nc1-c1ccc(Br)cc1)C#N |w:4.4|
69364 OC(=O)COc1ccc(cc1)C(=O)c1ccccc1
69365 COc1ccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)cc1O
69366 CCN(CC)S(=O)(=O)c1ccc(O)c(c1)C(=O)OCC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O
69367 OC(=O)c1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1 |w:9.9|
69368 OC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1
69369 COc1ccc(Nc2ccccc2C(O)=O)cc1
69370 CN1CCC2C(C1)c1cc(C)ccc1N2C(=S)Nc1ccc(Cl)cc1Cl
69371 CC(C)(C)NC(=O)NC(=O)CSc1nncs1
69372 CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN(CC2)c2ccc(O)cc2)ccc1Cl
69373 CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccco1
69374 Cc1[nH]nc2N=C3CCCC(=O)C3C(c3cccs3)c12 |t:5|
69375 C(Nc1nc(nc2ccccc12)-c1cccnc1)c1cccs1
69376 CC(C)CN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
69377 COCc1c(oc2ccccc12)C(=O)Nc1ccc(Cl)cc1F
69378 OC(=O)c1cn(CCC#N)nc1-c1cccc(c1)[N+]([O-])=O
69379 OC(=O)CCn1cc(CN=O)c(n1)-c1cccc(c1)[N+]([O-])=O
69380 O=S(=O)(\C=C\c1ccccc1)N1CCN(Cc2ccc3OCOc3c2)CC1
69381 CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1cccc(Cl)c1)\C#N
69382 Fc1ccccc1Cn1c2CCCCC[n+]2c2ccc(cc12)C(F)(F)F
69383 CN(CCC#N)C(=S)Nc1cccc(Cl)c1C
69384 CC(C)Nc1nnc(SCC(=O)NCc2ccc3OCOc3c2)s1
69385 CN(C1CCS(=O)(=O)C1)c1ncnc(N)c1[N+]([O-])=O
69386 Clc1ncccc1C(=O)Nc1cccc2C(=O)NC(=O)c12
69387 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
69388 CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nnc(SCc3ccccc3)n12
69389 CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2nnc(SCc3ccc(Cl)cc3)n12
69390 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6](-[#8]-c12)-c1ccc(-[#8])c(-[#8])c1
69391 COc1ccc(cc1OC)C1C2C(=O)CCCC2=Nc2n[nH]c(C)c12 |c:19|
69392 Cc1ccc2nc(cn2c1)-c1ccc2OCC(=O)Nc2c1
69393 Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)c(O)c1
69394 COc1cc(cc(OC)c1OC)C1OCC2C1COC2c1cc(OC)c(OC)c(OC)c1
69395 COc1cc(\C=C2/Oc3cc(O)ccc3C2=O)ccc1O
69396 [O-][N+](=O)c1ccccc1C(=O)Nc1cccc2C(=O)NC(=O)c12
69397 Nc1ncnc(NC2CCS(=O)(=O)C2)c1[N+]([O-])=O
69398 C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccc2OCOc2c1
69399 OC(=O)\C=C\c1cn(nc1-c1cccc(c1)[N+]([O-])=O)-c1ccccc1
69400 Clc1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
69401 COc1ccccc1\C=C\C=C1/Oc2c(ccc(O)c2CN(C)C)C1=O
69402 CN(C)Cc1c2O\C(=C/C=C/c3ccccc3)C(=O)c2ccc1O
69403 Nc1nc(Nc2ccccc2)nc(NCc2ccccc2)c1[N+]([O-])=O
69404 COc1ccc(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+]([O-])=O)cc1
69405 CCCn1nc(NC(=O)c2cccs2)c2cc3cccc(C)c3nc12
69406 CC1(C)CC(CCNC(=O)CCl)(CCO1)c1ccccc1
69407 COc1cc(\C=N\NC(=O)c2ccccc2F)ccc1Oc1ccc(cn1)[N+]([O-])=O
69408 COCCCNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O
69409 COc1ccc(OC)c(Nc2nc(NCCC(C)C)nc(N)c2[N+]([O-])=O)c1
69410 CCC(C)Nc1nc(N)c(c(NCCO)n1)[N+]([O-])=O
69411 COc1ccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)cc1
69412 Nc1ncnc2c(C#N)c3CCCCCn3c12
69413 CC(C)Cn1nc(NC(=O)c2ccco2)c2cc3cc(C)ccc3nc12
69414 COc1cc(\C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc(cn1)[N+]([O-])=O
69415 OCCN1CCN(Cc2c3O\C(=C/C=C/c4ccccc4)C(=O)c3ccc2O)CC1
69416 CCN(CC)Cc1c2O\C(=C/C=C/c3ccccc3)C(=O)c2ccc1O
69417 CC1CCCCN1c1nc(nc(C)c1[N+]([O-])=O)N1CCOCC1
69418 OC(=O)c1ccc(NNC2=c3ccc(Cl)cc3=NC2=O)cc1 |c:9,17|
69419 O=C1N=c2ccccc2=C1NN1CCOCC1 |c:9,t:2|
69420 COc1ccc(\C=C2\SC(NS(=O)(=O)Cc3ccccc3)=NC2=O)cc1OC |c:21|
69421 Nc1nc(NCC=C)nc(NCCO)c1[N+]([O-])=O
69422 O=C1N=C(NS(=O)(=O)Cc2ccccc2)S\C1=C\c1ccc2OCOc2c1 |t:2|
69423 COc1cccc(SCc2noc(C(=O)NCC=C)c2C(=O)NCC=C)c1
69424 Clc1ccc(C(=O)Cn2cc[n+](CC(=O)c3ccc(Cl)cc3Cl)c2)c(Cl)c1
69425 CCN1C(=O)\C(=N/NC(=O)C(O)c2ccccc2)c2ccccc12
69426 CC1CCN(CC1)c1cc(C)nc(n1)-c1ccccc1O
69427 O=C(NN=Cc1ccccn1)c1cccnc1
69428 O=C(C[n+]1ccc(C=Cc2ccccc2)cc1)c1ccc2OCCOc2c1 |w:7.6|
69429 Cc1ccc(cn1)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
69430 Cc1ccc(cn1)C(=O)NN=Cc1ccc(o1)-c1ccc(Cl)c(Cl)c1
69431 CCCC1=Nc2ncnn2C(C1C(=O)OCC)c1cccs1 |t:3|
69432 COCCCNc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
69433 CNc1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O
69434 Cc1cccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)c1
69435 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)c1=NC(C)=O |w:24.27|
69436 Cc1ccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)cc1
69437 COCCCNc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
69438 COc1ccccc1Nc1nc(NCC(C)C)nc(N)c1[N+]([O-])=O
69439 CCCn1nc(NC(=O)C2CCCO2)c2cc3cccc(C)c3nc12
69440 CCCn1nc(NC(=O)C2CCCO2)c2cc3ccc(C)cc3nc12
69441 CN(C)c1nc(N)c(c(NCC2CCCO2)n1)[N+]([O-])=O
69442 Nc1nc(NCc2ccccc2)nc(NCCO)c1[N+]([O-])=O
69443 CCCC1=Nc2ncnn2C(C1C(=O)OCC)c1ccco1 |t:3|
69444 Fc1ccc(CCN2C(=O)NC(=O)C(=CNN3CCCCC3)C2=O)cc1 |w:14.14|
69445 CCn1nc(NC(=O)C2CCCO2)c2cc3cccc(C)c3nc12
69446 COc1ccc(OC)c(c1)-c1cc(nc(N)c1C#N)-c1cccnc1
69447 Clc1ccccc1CN1CCN(CC(=O)NN=Cc2ccccn2)CC1
69448 Cc1ccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1
69449 Nn1c(SCc2cccc(Br)c2)nnc1-c1ccncc1
69450 CC(CC(=O)Nc1ccc2OCOc2c1)=NNC(=O)c1ccc(N)cc1 |w:15.17|
69451 Nc1nc(NCc2ccc(Cl)cc2)nc(NCCO)c1[N+]([O-])=O
69452 CCN(CC)CCCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O
69453 COc1ccccc1Nc1nc(NCc2ccco2)nc(N)c1[N+]([O-])=O
69454 Nc1nc(NCc2ccco2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O
69455 Nc1nc(NCC2CCCO2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O
69456 Nc1nc(NCCOCCO)nc(NCC2CCCO2)c1[N+]([O-])=O
69457 Cc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
69458 Nc1nc(NCCCN2CCOCC2)nc(NCc2ccccc2)c1[N+]([O-])=O
69459 Nc1nc(NCCCN2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+]([O-])=O
69460 Cc1cccc(Nc2nc(NCc3ccco3)nc(N)c2[N+]([O-])=O)c1
69461 CN(C)CCCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O
69462 COc1ccccc1Nc1nc(NCCC(C)C)nc(N)c1[N+]([O-])=O
69463 Cc1cccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)c1
69464 Cc1nn(-c2ccccc2)c2n(-c3ccccc3F)c3nc(=O)n(C)c(=O)c3cc12 |(11.79,-4.22,;11.31,-2.75,;12.21,-1.51,;11.31,-.27,;12.45,.75,;13.92,.28,;15.06,1.3,;14.75,2.81,;13.28,3.29,;12.14,2.26,;9.85,-.74,;8.52,.03,;8.52,1.57,;9.85,2.34,;9.85,3.88,;8.52,4.65,;7.18,3.88,;7.18,2.34,;5.85,1.57,;7.18,-.74,;5.81,.08,;4.41,-.71,;3.08,.06,;4.41,-2.32,;3.08,-3.09,;5.81,-3.11,;5.82,-4.65,;7.18,-2.28,;8.52,-3.05,;9.85,-2.28,)|
69465 COc1ccc(Nc2nc(NCC3CCCO3)nc(N)c2[N+]([O-])=O)cc1
69466 CCN1CCN(CC1)c1nc(Nc2cc(OC)ccc2OC)nc(Nc2cc(OC)ccc2OC)n1
69467 CCCC1=Nc2ncnn2C(C1C(=O)OCC)c1sccc1C |t:3|
69468 Nc1nc(Nc2ccccc2F)nc(NCCO)c1[N+]([O-])=O
69469 Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(F)c2)c1[N+]([O-])=O
69470 COc1ccc(Nc2nc(NCc3ccco3)nc(N)c2[N+]([O-])=O)cc1
69471 CC1CN(CC(C)O1)c1nc(Nc2ccccc2)nc(N)c1[N+]([O-])=O
69472 CC(C)N1C(=S)NC(=O)C(=CNCc2cccnc2)C1=O |w:10.10|
69473 CCCc1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
69474 CCCNC(=O)c1ccc(Cl)cc1Cl
69475 COc1ccc(cc1)C(=O)NCC=C
69476 CSC(NC#N)=NCC=C |w:6.6|
69477 Nc1nc(NCCCN2CCOCC2)nc(Nc2cccc(Cl)c2)c1[N+]([O-])=O
69478 Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccccc1
69479 COC(=O)c1sc(=S)n(Cc2ccccc2)c1C
69480 Nc1nc(NCC2CCCO2)nc(Nc2cccc(Cl)c2)c1[N+]([O-])=O
69481 Nc1nc(NCCCN2CCOCC2)nc(Nc2ccccc2F)c1[N+]([O-])=O
69482 O=C(NN=Cc1ccc2nccnc2c1)c1ccncc1
69483 CC(=O)Nc1ccc(Cc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)cc1
69484 O=C1N=C(Nc2ccccc2)SC1=Cc1cccnc1 |w:13.15,t:2|
69485 CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cc(C)ccc3nc12
69486 [O-][N+](=O)c1ccccc1OCC(=O)N\[NH+]=C\c1ccc[n-]1
69487 CCCn1nc(NC(=O)c2cccs2)c2cc3ccc(C)cc3nc12
69488 CC(C)Cn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc12
69489 COc1ccc2nc(Cl)cc(Cl)c2c1
69490 Fc1ccc(CSc2nnc(o2)-c2ccco2)cc1
69491 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)c1sc(NC(C)C)nc1N |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
69492 COc1cc(CNC=C2C(=O)NC(=O)N(C2=O)C(C)(C)C)cc(OC)c1 |w:7.6|
69493 Cc1ccccc1CSc1nnc(o1)[C@@H]1CCCN1
69494 Cc1ccc(CNc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1
69495 CCOc1ccc(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)cc1
69496 Nc1nc(NCCN2CCOCC2)nc(NCc2ccccc2)c1[N+]([O-])=O
69497 COc1ccc(Nc2nc(N)c(c(n2)N2CCOCC2)[N+]([O-])=O)cc1
69498 Nc1nc(NCc2ccco2)nc(NCCO)c1[N+]([O-])=O
69499 Oc1ccc(\C=C2/SC(=NC2=O)N2CCc3ccccc3C2)cc1 |c:8|
69500 O=C(NNC(=O)c1ccc(=O)oc1)C1[C@H]2CCCC[C@@H]12
69501 CCCCc1c(O)nc(SCC(=O)c2ccccc2)n(-c2ccccc2OC)c1=O |(3.08,5.78,;3.08,4.24,;4.41,3.47,;4.41,1.93,;5.75,1.16,;7.08,1.93,;7.08,3.47,;8.41,1.16,;8.41,-.39,;9.75,-1.16,;11.08,-.39,;12.42,-1.16,;12.42,-2.7,;13.75,-.39,;15.08,-1.16,;16.42,-.39,;16.42,1.16,;15.08,1.93,;13.75,1.16,;7.08,-1.16,;7.08,-2.7,;8.41,-3.47,;8.41,-5.01,;7.08,-5.78,;5.75,-5.01,;5.75,-3.47,;4.41,-2.7,;3.08,-3.47,;5.75,-.39,;4.41,-1.16,)|
69502 COc1ccc(C(C)=NNC(=O)CNC(=O)Cc2ccccc2)c(OC)c1 |w:8.8|
69503 COc1ccc(OC)c(C=NNC(=O)CCc2c(C)n[nH]c2C)c1
69504 CC(C)CCNc1nc(N)c(c(NCCO)n1)[N+]([O-])=O
69505 Nc1nc(Nc2ccccc2)nc(NCCO)c1[N+]([O-])=O
69506 CCC(C)Nc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
69507 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)c1sc(NCC)nc1N |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
69508 CC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1
69509 COc1ccc(cc1)-c1cc(nc(SCCC(=O)N2CCOCC2)n1)C(F)(F)F
69510 CSc1nc(NCCCO)c2c3CCN(C)Cc3sc2n1
69511 CC(C)CCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
69512 NC(=O)COC(=O)c1ccc(cc1)-c1ccc(O)cc1
69513 COc1ccc(cc1)-c1nn(CCC(O)=O)cc1C=NNC(N)=S |w:19.21|
69514 NS(=O)(=O)c1cc(ccc1Cl)C(=O)NNC1=c2ccccc2=NC1=O |c:16,23|
69515 COc1cc(\C=C\C)ccc1OCC(O)=O
69516 NC(=S)NN=Cc1cn(CCC(O)=O)nc1-c1cccc(Br)c1 |w:4.3|
69517 COc1cc(\C=C\c2nc3ccc(cc3s2)[N+]([O-])=O)ccc1OCC(O)=O
69518 CCN(CC)S(=O)(=O)c1cccc(c1)-n1cc(O)c(c1N)-c1ccccc1
69519 OC1CS(=O)(=O)CC1N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:9.9|
69520 S=c1[nH]c(cn1N=Cc1ccncc1)-c1ccccc1 |w:6.6|
69521 Cc1c([N+]([O-])=O)c2ccc(O)cc2n1-c1ccccc1
69522 Nc1c(C#N)c2nc3ccccc3nc2n1-c1cccc(O)c1
69523 Nc1nc(Nc2cccc(F)c2)nc(NCCO)c1[N+]([O-])=O
69524 [#6]-[#7](-[#6]-[#6]-[#8])S(=O)(=O)c1ccc2-c3ccc(cc3\[#6](=[#7]/[#7]-[#6](-[#7])=O)-c2c1)S(=O)(=O)[#7](-[#6])-[#6]-[#6]-[#8]
69525 CNc1nc(N)c(c(Nc2cccc(Cl)c2)n1)[N+]([O-])=O
69526 COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1OC |w:5.4,c:17|
69527 Nc1nc(NCC2CCCO2)nc(Nc2ccccc2F)c1[N+]([O-])=O
69528 Nc1nc(NCC2CCCO2)nc(Nc2ccc(Cl)cc2)c1[N+]([O-])=O
69529 Nc1nc(Nc2cccc(Cl)c2)nc(NCCO)c1[N+]([O-])=O
69530 Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
69531 Cc1ccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1C
69532 COc1ccccc1Nc1nc(NCCO)nc(N)c1[N+]([O-])=O
69533 Nc1nc(Nc2ccc(Cl)cc2)nc(NCCO)c1[N+]([O-])=O
69534 COc1ccc(Nc2nc(N)c(c(NCCO)n2)[N+]([O-])=O)cc1
69535 OC(=O)CCn1cc(C(O)=O)c(n1)-c1ccccc1
69536 COc1ccc(cc1OC)-c1nn(cc1CN=Nc1ccc(Cl)c(c1)C(O)=O)-c1ccccc1 |w:16.17|
69537 Clc1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)c(Cl)c1
69538 COC1=CC(=O)CC(C)C11Oc2cc(OC)cc(OC)c2C1=O |t:2|
69539 COc1ccc(OC)c(Nc2nc(N)c(c(NCc3ccccc3)n2)[N+]([O-])=O)c1
69540 OC(=O)c1ccc(cc1)N=NCc1ccc(o1)-c1cccc(Cl)c1 |w:9.9|
69541 Nc1nc(Nc2cccc(F)c2)nc(N2CCOCC2)c1[N+]([O-])=O
69542 COc1ccc(OC)c(Nc2nc(NCc3ccco3)nc(N)c2[N+]([O-])=O)c1
69543 CCCn1nc(NC(=O)c2cccs2)c2cc3cc(C)ccc3nc12
69544 CSc1nc(SCC(=O)NCC2CCCO2)c2c3CCN(C)Cc3sc2n1
69545 N(c1ccccc1)c1ncnc2n[nH]cc12
69546 CN1C(N)=NC(=O)C1=Cc1ccc(F)cc1 |w:8.9,c:3|
69547 O=S1(=O)CC2SC(=S)N(C2C1)c1ccccc1
69548 Nc1nnc(CC(=O)NN=Cc2ccccc2OCc2ccc(F)cc2)s1
69549 COc1ccc(cc1)-c1cc([nH]c(=O)c1C#N)-c1ccco1
69550 CC(C)CC(=O)Nc1ncc(s1)[N+]([O-])=O
69551 Cc1cnc(NC(=O)c2sc(Nc3ccccc3)nc2N)o1
69552 CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1
69553 NC(=O)C1CCN(CC1)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)o1
69554 Cc1nccc(n1)-c1cccc(NC(=O)c2ccccc2Cl)c1
69555 Cc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
69556 Clc1ccccc1CN1CCN(CC1)c1cccc2[nH]ccc12
69557 COc1ccccc1NC(=S)NC1CCCCCCCCCCC1
69558 Cc1cc(N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1
69559 Clc1ccc(cc1)S(=O)(=O)NCCC1CC1(Cl)Cl
69560 O=C(OCCCCOC(=O)c1ccccc1)c1ccccc1
69561 CC(C)(C)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:7,t:5|
69562 CSc1nnnn1-c1c(C)cccc1C |(9.6,2.58,;8.46,1.55,;6.99,2.03,;6.52,3.49,;4.98,3.49,;4.5,2.03,;5.75,1.13,;5.75,-.41,;4.41,-1.18,;3.08,-.41,;4.41,-2.72,;5.75,-3.49,;7.08,-2.72,;7.08,-1.18,;8.41,-.41,)|
69563 Cc1nc(c(s1)C(=O)Sc1ccccc1)C(F)(F)F
69564 O[N-]C(=[NH2+])c1ccc(Oc2ccccc2Cl)c(c1)[N+]([O-])=O
69565 Cc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1ccncc1)-c1ccccc1 |w:13.15|
69566 OC(=O)COCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
69567 CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1ccc2OCCOc2c1
69568 ONC(=N)Cc1nc2ccccc2s1
69569 CCCc1c(NC(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1
69570 Cc1ccc(NC(=O)Nc2cc(nn2C)-c2ccccc2)cc1Cl
69571 CC(C)CCSc1nnc(N)s1
69572 FC(F)(F)c1ccc(cc1)\N=N\c1ccc2N(CCC#N)CCCc2c1
69573 Cn1nc2c(nc1=S)n(Cc1ccc(F)cc1)c1ccccc21
69574 C(N=Nc1nccc(n1)-c1cccnc1)c1ccccc1 |w:2.2|
69575 COc1cccc(Nc2ncc(C#N)c(N)n2)c1
69576 COC(=O)C(C(C)=NC)C(=O)c1ccc(Cl)cc1Cl |w:7.7|
69577 O=C(Nc1cc(n[nH]1)-c1ccccc1)c1ccccc1
69578 Cc1ccc2cc(NC(=O)c3cccc(F)c3)ccc2n1
69579 Cc1csc2c1[nH]c(=O)n(CCO)c2=O
69580 Fc1ccc(cc1)S(=O)(=O)CCSc1n[nH]c(=O)n1-c1ccc2OCCOc2c1
69581 Cc1ccc(cc1)S(=O)(=O)CCSc1n[nH]c(=O)n1-c1ccc2OCCOc2c1
69582 CSc1nc(-c2cccs2)c(C#N)c(=O)[nH]1
69583 Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C(N)=O
69584 NC(=NNC(=O)c1ccc(Cl)cc1)c1cnccn1 |w:2.2|
69585 OC(=O)\C=C\C(=O)NCC1CCC(CNC(=O)\C=C\C(O)=O)CC1 |(12.42,10.01,;12.42,8.47,;13.75,7.7,;11.08,7.7,;11.08,6.16,;9.75,5.39,;8.41,6.16,;9.75,3.85,;8.41,3.08,;8.41,1.54,;7.08,.77,;7.08,-.77,;8.41,-1.54,;8.41,-3.08,;7.08,-3.85,;7.08,-5.39,;8.41,-6.16,;5.75,-6.16,;5.75,-7.7,;4.41,-8.47,;4.41,-10.01,;3.08,-7.7,;9.75,-.77,;9.75,.77,)|
69586 CC(C)[C@H](CO)Nc1nc(NCc2ccc(cc2)S(N)(=O)=O)c2ncn(C(C)C)c2n1
69587 CCC(C)Oc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
69588 CN(C)CCCNc1ccc(cn1)-c1cc(Nc2cccc(Cl)c2)ncn1
69589 Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1ccccc1Cl
69590 Oc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2oc(cc(=O)c12)-c1ccccc1Cl
69591 Oc1ccc(NC(=O)c2ccc(F)cc2)c2oc(cc(=O)c12)-c1ccccc1Cl
69592 Cc1ccccc1C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
69593 CCc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
69594 Oc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c2oc(cc(=O)c12)-c1ccccc1Cl
69595 Oc1ccc(NS(=O)(=O)c2cccs2)c2oc(cc(=O)c12)-c1ccccc1Cl
69596 Oc1ccc(NC(=O)c2ccccc2Cl)c2oc(cc(=O)c12)-c1ccccc1Cl
69597 Cc1cccc(c1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1ccccc1Cl
69598 Oc1ccc(NC(=O)c2cccs2)c2oc(cc(=O)c12)-c1ccccc1Cl
69599 CCN1[C@H](C)[C@@H]([C@@H](NC1=O)c1ccccc1)C(=O)OC
69600 COCCN1[C@H](C)[C@H]([C@@H](NC1=O)c1cccc(c1)C(F)(F)F)C(C)=O
69601 COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1 |c:4|
69602 COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
69603 COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccc(cc1)[N+]([O-])=O |c:4|
69604 [H][C@]12CCc3c(C(=O)CC)c(CC)c(CCC1)n23
69605 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2c(oc3cc(-[#8])ccc3c2=O)c1-[#8]
69606 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2c1oc1ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O
69607 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccccc1
69608 [#6]-[#8]-c1c(-[#6]\[#6]=[#6](\[#6])-[#6])cc(-[#6]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
69609 [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#8]-1
69610 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6]-2-[#6]-[#8]-c3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3-[#6]-2=O)c1-[#8]
69611 [#6]-[#8]-c1ccc(-[#6]-2-[#6]-[#6](=O)-c3c(-[#8])cc(-[#8])cc3-[#8]-2)c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]
69612 CCOc1ccccc1Nc1cc(C)nc2ccc(C)cc12
69613 CC(=O)Nc1c(nc2ccc(Cl)cn12)-c1ccccc1
69614 CC1(C)CC(=O)C=C(C1)Nc1cccc(c1)C(F)(F)F |c:6|
69615 OC(=O)c1ccccc1NCc1cccnc1
69616 CC1(C)CC(=O)C=C(C1)Nc1cccc(Cl)c1Cl |c:6|
69617 OC(COc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1)CN1CCN(Cc2ccccc2)CC1
69618 COC(=O)c1ccccc1Nc1ccnc(Cl)n1
69619 Clc1ccc2nc(NC(=O)C3CC3)sc2c1
69620 Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
69621 Fc1cnc(Cl)nc1Oc1ccc(C=O)cc1
69622 Clc1ccc2CCc3ccccc3Nc2c1
69623 COc1ccc2Nc3ccc(Cl)cc3NC(=O)c2c1
69624 CCN(CC)CCOC(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 |w:20.19|
69625 Clc1nccc(NCc2ccccc2)n1
69626 CC(=O)Oc1ccc2occ(C(=O)c3ccccc3)c2c1
69627 COc1cc(ccc1OCCC(C)C)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCN1CCOCC1
69628 Cc1cc(OCCCn2ccnc2)ccc1[N+]([O-])=O
69629 CN1C(=S)N(C)\C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O
69630 COc1ccc(cc1[N+]([O-])=O)-c1nn(cc1C=O)-c1ccccc1
69631 COc1cccc(c1)C(=O)NCCCNC(=O)c1cccc(OC)c1
69632 CC(C)c1ccc(OCC(O)CNC(C)c2ccccc2)cc1C
69633 CC1=C(C#N)C(=O)NC(=O)C1=CNc1ccc(cc1)S(=O)(=O)CCO |w:11.12,c:1|
69634 CN(C)S(=O)(=O)c1ccc(NC=C2C(=O)NC(=O)C(C#N)=C2C)cc1 |w:11.10,c:20|
69635 Fc1ccc(cc1)-c1nn(cc1C=O)-c1ccccc1
69636 CC(C)(C)c1csc(NC(=O)c2cccnc2)n1
69637 CC1CN(CC(C)O1)C(=O)CCCN1C(=O)c2ccccc2C1=O
69638 COc1cccc2cc(C(=O)OCc3ccccc3)c(=O)oc12
69639 COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1N
69640 COc1cccc2cc(C(=O)Oc3ccccc3)c(=O)oc12
69641 O=Cc1cn(nc1-c1ccccc1)-c1ccccc1
69642 COc1ccc(CCNc2nc(cs2)-c2ccc(O)cc2)cc1OC
69643 COc1ccc(C=C2SC(Nc3ccccc3OC)=NC2=O)cc1 |w:6.5,c:19|
69644 O=C1N=C(Nc2ccccc2)SC1=Cc1ccccc1 |w:13.15,t:2|
69645 Oc1ccc(cc1)C(=O)OCCN1CCOCC1
69646 CC1(C)CC(=O)C2C(Nc3ccccc3N=C2C1)c1ccc(F)cc1 |c:16|
69647 COc1cccc(c1)C(=O)Nc1nc2ccccc2s1
69648 CC1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1
69649 Cc1ccc(cc1)C(=O)Nc1ncc(s1)[N+]([O-])=O
69650 C(NCC1COc2ccccc2O1)C1COc2ccccc2O1
69651 CN1CCN(CC1)C(=O)c1ccc(OCCOc2ccccc2)cc1
69652 COc1cccc(c1)C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:18|
69653 N(c1ccccc1)c1nc(nc2ccccc12)-c1ccccc1
69654 CCOc1cc(ccc1O)C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:20|
69655 O=C(Nc1ccccn1)c1ccc(cc1)C(=O)Nc1ccccn1
69656 Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
69657 Cc1ccc(cc1)C(=O)\C=C\c1ccc2ncccc2c1
69658 Fc1ccc(CSc2nnc(o2)-c2ccccn2)cc1
69659 COc1ccccc1N1CCN(CC1)\N=C\c1ccc(Cl)c(c1)[N+]([O-])=O
69660 COc1ccc(OC)c(NCc2nnc(o2)-c2ccccc2)c1
69661 Clc1ccc(NC(=O)Nc2ccccn2)cc1
69662 OC(=O)c1cccc(CSc2nnc(o2)-c2cccnc2)c1
69663 C[n+]1ccc(\C=C\c2cn(CC=C)c3ccccc23)cc1
69664 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN(C)C)c12
69665 COc1ccc(CCNc2c(C=O)c(=O)[nH]c3ccccc23)cc1OC
69666 COc1cccc(c1)C(=O)CSc1nccn1C
69667 Cn1c(SCc2cccc(Br)c2)nnc1-c1ccncc1
69668 CC(CC(=O)Nc1nnc(s1)C(C)(C)C)c1ccccc1
69669 CCOC(=O)c1cnc2ccc(OC)cc2c1NCCN1CCOCC1
69670 Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)c(C)c1
69671 COc1ccccc1-c1coc2c(CN(C)C)c(O)ccc2c1=O
69672 COc1ccccc1-c1c(oc2c(CN(C)C)c(O)ccc2c1=O)C(F)(F)F |(7.08,5.42,;7.08,3.88,;5.75,3.11,;4.41,3.88,;3.08,3.11,;3.08,1.57,;4.41,.8,;5.75,1.57,;7.08,.8,;7.08,-.74,;8.41,-1.51,;9.75,-.74,;11.13,-1.56,;11.11,-3.1,;12.43,-3.88,;12.41,-5.42,;13.77,-3.13,;12.52,-.77,;13.85,-1.54,;12.52,.84,;11.13,1.63,;9.75,.8,;8.41,1.57,;8.41,3.11,;5.75,-1.51,;4.41,-2.28,;6.52,-2.84,;4.98,-.17,)|
69673 CC(N=Nc1nccnc1Cl)c1ccc(Br)cc1 |w:2.1|
69674 CN(C)Cc1c(O)ccc2c1oc(c(-c1ccccc1)c2=O)C(F)(F)F
69675 Clc1ccccc1NC(=O)Nc1ccccn1
69676 CC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
69677 CN1CC(=O)Nc2ccc(cc2C1=O)[N+]([O-])=O
69678 Fc1ccccc1NC(=O)CN1C(=O)COc2ccccc12
69679 CN(C)CCc1cc2OCOc2c2c1ccc1ccccc21
69680 COc1ccccc1\C=C1/C(=O)Nc2ccccc12
69681 COc1cc(OC)c(OC)cc1CNCC1COc2ccccc2O1
69682 COc1cccc(c1)C(=O)NNC(=O)c1ccccc1
69683 Brc1cccc(c1)C(=O)NCCc1ccccc1
69684 COc1ccc(OC)c(c1)C1Nc2ccccc2N=C2CC(C)(C)CC(=O)C12 |t:20|
69685 Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O
69686 CCN1CCN(CC1)c1c(C=O)c(Cl)nc2ccc(OC)cc12
69687 CC(=O)Oc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
69688 Oc1cc(O)c2c(cc(=O)oc2c1)-c1ccccc1
69689 CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(C)cc3)c12
69690 Cc1ccccc1NC(=O)Nc1ccccn1
69691 COc1cc(cc(OC)c1OC)C(=O)N1CCN(CC1)c1ccccn1
69692 COc1ccc(cc1)C(=O)c1sc(Nc2ccc(NC(C)=O)cc2)nc1C
69693 CCSc1nc2sc3CN(C)CCc3c2c(=O)n1-c1ccccc1
69694 Cc1nc(C)c(s1)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1
69695 NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1
69696 COc1ccc(cc1)-c1nn(cc1C=O)-c1ccccc1
69697 Cc1cc(c(C)cc1-c1ccc(\C=N\n2cnnc2)o1)[N+]([O-])=O
69698 Brc1ccc(cc1)C1C(C(=O)c2ccc(Br)cc2)C(=O)C(=O)N1c1ccccn1
69699 Oc1c(C(=O)NCc2ccc(Cl)cc2)c(=O)n(CC=C)c2ccccc12
69700 COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1 |w:6.5,c:17|
69701 Cc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
69702 Cn1c(=O)c2[nH]c(CCCC(O)=O)nc2n(Cc2ccccc2)c1=S
69703 COc1ccc(OC)c(Nc2nc(N)c(c(NC3CCCCC3)n2)[N+]([O-])=O)c1
69704 CCCCn1nc(NC(=O)CCC)c2cc3cc(OC)ccc3nc12
69705 COc1ccc2occ(C(=O)c3ccc(N)cc3)c2c1
69706 Cc1ccc(cc1)C(=O)c1coc2ccc(O)cc12
69707 CCC(NC(=O)Cc1c(C)c2cc3CCC(C)(C)Oc3cc2oc1=O)C(O)=O
69708 C[C@]12CC(O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O |c:13,t:9|
69709 Clc1ccccc1Nc1nc(nc2ccccc12)-c1ccncc1
69710 Nc1nc(NC2CCCCC2)nc(NCCO)c1[N+]([O-])=O
69711 CCCC(NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(O)=O
69712 CCOc1ccc2N(CCN3CCOCC3)C(=O)C(NC(C)=O)c2c1
69713 CCCCn1nc(NC(=O)COC)c2cc3cc(OC)ccc3nc12
69714 CC(C)N1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C
69715 COc1ccc2nc3n(CC(C)C)nc(NC(=O)CC(C)C)c3cc2c1
69716 COc1ccc2nc3n(CC(C)C)nc(NC(=O)C(C)(C)C)c3cc2c1
69717 CCCCn1nc(NC(=O)CC(C)C)c2cc3cc(OC)ccc3nc12
69718 CC1=C(C#N)C(=O)NC(=O)C1=NNc1ccc(Cl)c(c1)C(O)=O |w:11.12,c:1|
69719 COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C2CCC(=O)N12
69720 CCCCn1nc(NC(=O)CC)c2cc3cc(OC)ccc3nc12
69721 CCCn1nc(NC(=O)C(C)C)c2cc3cc(OC)ccc3nc12
69722 CCCn1nc(NC(=O)C(C)(C)C)c2cc3cc(OC)ccc3nc12
69723 CC(C)CNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69724 Cc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1C
69725 CCC(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12
69726 Cn1c(SCc2ccccc2C#N)nnc1-c1ccncc1
69727 COc1ccc2oc(C)c(C(=O)c3ccc(C)cc3)c2c1
69728 COc1ccc(cc1)-c1cc(=O)oc2c(C)c(O)ccc12
69729 COCCNc1nc(SC)nc2sc3CN(C)CCc3c12
69730 CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3cccc(C)c3nc12
69731 OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
69732 COc1ccc2nc(C)cc(Nc3ccc(cc3)N3CCN(C)CC3)c2c1
69733 COC(=O)c1ccc(CSc2nnc(o2)-c2ccncc2)cc1
69734 CCN1CCN(CC2COc3ccccc3O2)CC1
69735 CC1CCN(CC1)c1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
69736 Cc1n[nH]c2OC(=[NH2+])[C-](C#N)[C@@H](c12)c1ccccc1[N+]([O-])=O
69737 CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(cc1)N1CCN(C)CC1
69738 CCOc1ccc(cc1[N+]([O-])=O)-c1csc2[N-]CC[n+]12
69739 COc1cc(C=Nn2c(n[nH]c2=S)C2CCCCC2)cc(Br)c1O |w:6.6|
69740 CCCc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1
69741 COC(CNc1nc(SC)nc2sc3CN(C)CCc3c12)OC
69742 CCN(CC)CCNc1nc(SC)nc2sc3CN(C)CCc3c12
69743 CSc1nc(NCC(C)O)c2c3CCN(C)Cc3sc2n1
69744 COc1ccc(OC)c(Nc2nc(nc(N)c2[N+]([O-])=O)N(C)c2ccccc2)c1
69745 CCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc12
69746 CC(C)Cn1nc(NC(=O)C(C)(C)C)c2cc3cc(C)ccc3nc12
69747 Nc1nc(NCCc2ccccc2)nc(NCCO)c1[N+]([O-])=O
69748 CC(C)CNc1nc(N)c(c(n1)N1CCCCCC1)[N+]([O-])=O
69749 COC(CSc1nc(N)c2c3CCN(C)Cc3sc2n1)OC
69750 CCC(C)Nc1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O
69751 Nc1nc(NCCOCCO)nc(NC2CCCCC2)c1[N+]([O-])=O
69752 CN(C)CCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69753 COc1ccccc1Nc1nc(NCC=C)nc(N)c1[N+]([O-])=O
69754 COCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69755 COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2F)nc1N
69756 COC(=O)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
69757 CNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69758 COc1ccc(Nc2nc(N)c(c(NC3CCCCC3)n2)[N+]([O-])=O)cc1
69759 CC(C)CCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69760 COCCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69761 Nc1nc(NCCOCCO)nc(NCc2ccccc2)c1[N+]([O-])=O
69762 OC(=O)Cn1c(=O)n(Cc2ccccc2F)c2sc3CCCCc3c2c1=O
69763 Nc1nc(NCC=C)nc(NC2CCCCC2)c1[N+]([O-])=O
69764 CN(C)CCCNc1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O
69765 Nc1nc(NCCO)nc(NC2CCCCC2)c1[N+]([O-])=O
69766 COCCCNc1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O
69767 CCC(C)Nc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69768 CSc1nc(N)c2c3CCN(C)Cc3sc2n1
69769 Nc1nc(Nc2ccccc2F)sc1C(=O)c1ccccc1
69770 Nc1ncc(-c2ccccc2)c(n1)-c1ccc(O)cc1O
69771 COCCN(CCOC)Cc1c2O\C(=C/c3ccco3)C(=O)c2ccc1O
69772 CSc1ncc(C(=O)Nc2ccccc2C)c(C)n1
69773 COc1ccc(cc1NS(=O)(=O)c1cccc2cccnc12)C(C)(C)C
69774 CCc1nn(CC(=O)NCCC(C)C)c(=O)c2cc3c(OC)cccc3n12
69775 COC(CNC(=O)CCc1c(C)nc2n(nc(C)c2c1C)-c1ccc(C)cc1)OC
69776 COc1ccc(C(=O)\C=C2\C(=O)Nc3ccccc23)c(OC)c1
69777 Cc1c(sc2n(C)c(=O)n(Cc3ccccc3)c(=O)c12)C(O)=O
69778 OC(=O)c1ccc(C=C2SC(Nc3ccccc3Cl)=NC2=O)cc1 |w:7.6,c:19|
69779 N#Cc1ccccc1CSc1nnc(o1)-c1ccncc1
69780 Fc1cccc(Cl)c1CSc1nnc(o1)-c1ccncc1
69781 Cc1cc2nc([nH]c2cc1C)-c1ccc[nH]c1=O
69782 CN(C)c1nc(nc(-c2ccccc2)c1C#N)-c1cccnc1
69783 COc1cc2ncnc(Nc3ccc4OCOc4c3)c2cc1OC
69784 COc1cccc(c1)C(=O)CC(C#N)c1ccc(F)cc1
69785 OC(=O)c1ccccc1Nc1ccnc(c1)C(F)(F)F
69786 C(Cc1ccccc1)NCC1COc2ccccc2O1
69787 CC(C)Nc1nc(nc(-c2ccccc2)c1C#N)-c1ccncc1
69788 CC(C)Nc1nc(nc(-c2ccccc2)c1C#N)-c1cccnc1
69789 Clc1nc(nc(-c2ccccc2)c1C#N)-c1ccncc1
69790 CC(C(=O)NCc1ccccc1)n1cc(cn1)[N+]([O-])=O
69791 CC(NCC1COc2ccccc2O1)C1COc2ccccc2O1
69792 Nc1nc(NCC=C)nc(Nc2cccc(Cl)c2)c1[N+]([O-])=O
69793 CCCC(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12
69794 COc1c[c-](C[NH+]=Nc2ccc(cn2)[N+]([O-])=O)cc(OC)c1=O |w:6.5|
69795 CC1=C(C#N)C(=O)NC(=O)C1=NNc1ccc(Br)cc1C(O)=O |w:11.12,c:1|
69796 NCCCNc1nc(N)c(c(NC2CCCCC2)n1)[N+]([O-])=O
69797 COc1ccccc1Nc1nc(nc(N)c1[N+]([O-])=O)N(C)c1ccccc1
69798 COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(F)cc2)cc1
69799 Cc1ccc(cc1\[NH+]=C1/C(=O)[N-]c2ccccc12)[N+]([O-])=O
69800 Nc1nc(O)c(N=Nc2ccc(cc2)S(N)(=O)=O)c(=O)[nH]1 |w:7.7|
69801 CNc1nc(N)c(c(Nc2ccccc2OC)n1)[N+]([O-])=O
69802 CSc1nc(NCCCN(C)C)c2c3CCN(C)Cc3sc2n1
69803 Nc1nc(NCC(O)=O)nc(NC2CCCCC2)c1[N+]([O-])=O
69804 Nc1nc(NCCOCCO)nc(Nc2cccc(F)c2)c1[N+]([O-])=O
69805 COC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
69806 Cc1ccc(cc1)-c1nn(cc1CO)-c1ccccc1
69807 COCCNc1nc(N)c(c(Nc2ccc(F)cc2)n1)[N+]([O-])=O
69808 Nc1nc(NCCO)nc(NCc2ccccc2)c1[N+]([O-])=O
69809 CCn1nc(NC(=O)CC(C)C)c2cc3ccc(C)cc3nc12
69810 OC(=O)Cn1cc(CN=Nc2ccc(cn2)[N+]([O-])=O)c2ccccc12 |w:8.7|
69811 CCOC(=O)c1c(oc2ccc(OCC(=O)NNC(=O)CCCC(O)=O)cc12)-c1ccccc1
69812 COc1ccc(Nc2nc(N)c(s2)C(=O)c2ccc(OC)cc2)cc1
69813 CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)CCC(=O)Nc3ccc(OC)cc3OC)ccc2n1
69814 Cc1ccc(CNS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
69815 Cc1cc2oc(=O)cc(Cn3ccnc3)c2cc1O
69816 CN1CCN(CCNC(=O)Nc2ccccc2[N+]([O-])=O)CC1
69817 COc1ccc(CN=Nc2ccc(cc2)[N+]([O-])=O)cc1O |w:8.8|
69818 COc1ccc(cc1)N1CCN(CC(O)COc2c(OC)cccc2OC)CC1
69819 [O-][N+](=O)c1ccccc1NC(=O)Nc1ccccn1
69820 Cc1ccc(cc1)-c1nc(Nc2cccc(O)c2)c2ccccc2n1
69821 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1
69822 CN1CCN(CCCNC(=O)Nc2ccc(cc2)[N+]([O-])=O)CC1
69823 COC(=O)c1nnn(c1CN1CCCC1)-c1nonc1N
69824 COc1cccc2cc(C(=O)NCc3ccc(C)cc3)c(=O)oc12
69825 Cc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1F |t:6|
69826 Cc1ccc(C)c(CN2CCC(CNC(=O)Nc3cc(C)cc(C)c3)CC2)c1
69827 COc1ccc(cc1)C(=O)c1coc2ccc(OC(C)=O)cc12
69828 COc1cccc2cc(CC(=O)c3ccc(C)cc3C)c(=O)oc12
69829 COc1cccc2cc(CC(=O)c3cc(C)ccc3C)c(=O)oc12
69830 COc1cccc2cc(CC(=O)c3ccccc3)c(=O)oc12
69831 FC(F)(Cl)Oc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
69832 COc1ccc(cc1)C(=O)c1coc2ccc(O)cc12
69833 C[n+]1ccccc1\C=C\c1cc(Br)ccc1O
69834 CC1(C)N=C(N)N=C(N)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 |t:3,6|
69835 COc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
69836 COc1ccc(cc1OC)-c1nn(cc1CN=O)-c1ccccc1
69837 COc1ccc(cc1)-c1nn(cc1CN=O)-c1ccccc1
69838 CC(C)c1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 |t:8|
69839 COc1ccc(OC)c(Nc2c3ccccc3nc3ccccc23)c1
69840 Cc1ccc(C)c(Nc2nc(nc3ccccc23)-c2ccncc2)c1
69841 CN(C)c1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
69842 O=NCc1cn(nc1-c1ccccc1)-c1ccccc1
69843 CCNc1nc(SCC(N)=O)nc2sc3CN(C)CCc3c12
69844 Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(-c1ccccc1)c2=O
69845 COc1ccc(cc1)C(=O)c1sc(Nc2ccccc2)nc1C
69846 Cc1nc(Nc2ccccc2)sc1C(=O)c1ccc(F)cc1
69847 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(C)n1C
69848 COc1ccc(CC(=O)Nc2nc(c(s2)C(C)=O)-c2ccccc2)cc1OC
69849 Fc1ccccc1CNc1nc(nc2ccccc12)-c1cccnc1
69850 OC(CNc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
69851 [O-][N+](=O)c1cccc(c1)\[NH+]=C1/C(=O)[N-]c2ccccc12
69852 COCCn1c(SCC(=O)NCc2ccccc2)nc2ccccc12
69853 COCCn1c(SCC(=O)NC(C)c2ccccc2)nc2ccccc12
69854 CC(=O)c1cccc(c1)S(=O)(=O)NC1CCSc2ccccc12
69855 Clc1cccc(CNc2nc(nc3ccccc23)-c2cccnc2)c1
69856 C(Nc1nc(nc2ccccc12)-c1cccnc1)c1cccnc1
69857 COCCn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc12
69858 COc1ccc(\C=C\C(=O)NC2CCN(Cc3ccccc3)CC2)cc1OC
69859 C[C@H](C(O)c1ccccc1)N(C)C(=O)CN
69860 Fc1ccc(CNc2nc(nc3ccccc23)-c2cccnc2)cc1
69861 OC(=O)CCc1ccc(O)c(C=O)c1
69862 OC(=O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1
69863 COc1ccc2nc(C)cc(N3CCN(CC3)c3ccccc3)c2c1
69864 COc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
69865 Cc1cc(=O)[n-]c(N=NCc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)[nH+]1 |w:7.6|
69866 COc1ccc(CCNc2nc(nc3ccccc23)-c2cccnc2)cc1OC
69867 [O-][N+](=O)c1cc(ccc1NCCCn1ccnc1)C(=O)c1ccccc1
69868 COc1ccc(cc1)N1CCN(CC1)c1cc(C)nc2ccc(OC)cc12
69869 CC(C)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O
69870 CN(C1CCCCC1)c1ncnc(N)c1[N+]([O-])=O
69871 OC(=O)c1cc(ccc1Cl)N=NCc1ccc(o1)-c1ccc(F)cc1 |w:10.10|
69872 Cc1cc(ccc1O)-c1onc2ccc(Cl)cc12
69873 CCN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O
69874 CS(=O)(=O)Nc1cccc(c1)-c1cn2CCSc2n1
69875 CCC(OCC(O)CN1CCCCC1)c1ccccc1
69876 CCC(=O)Nc1sc2CN(Cc3ccccc3)CCc2c1C(N)=O
69877 CCOC(=O)C1CCN(CC(O)COC(CC)c2ccccc2)CC1
69878 CCC(CC)NC(=O)COC(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
69879 Cc1c(O)ccc(C(=O)CN2CCN(CC2)c2ccc(F)cc2)c1O
69880 O=c1[nH]c(nc(-c2ccccc2)c1C#N)-c1cccnc1
69881 Clc1ccc(NC(=O)Nc2ccccn2)cc1Cl
69882 COc1ccc(cc1)C(=O)c1ccsc1N
69883 CC(C)Cc1ccccc1O
69884 [O-][N+](=O)c1ccc2Nc3ccccc3NC(=O)c2c1
69885 Oc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
69886 Clc1nc(nc(-c2ccccc2)c1C#N)-c1cccnc1
69887 CCCSCCCNC(=O)Cn1nc(CC)n2c3cccc(OC)c3cc2c1=O
69888 COCc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1
69889 CC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccc(F)cc1)c2C(N)=O
69890 COc1ccc(cc1OC)C(=O)c1sc(Nc2ccccc2)nc1N
69891 CNc1nc2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O
69892 COc1cc(cc(CN2C(=O)c3ccccc3C2=O)c1OC)C(=O)OCC(=O)NC(N)=O
69893 CC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O
69894 CN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(N)=O
69895 CN1CCc2c(C1)sc(NC(=O)Cc1ccc(F)cc1)c2C(N)=O
69896 CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccncc1
69897 C(Nc1nc(nc2ccccc12)-c1cccnc1)C1CCCO1
69898 NS(=O)(=O)c1ccc(NNC2=c3cc(Br)ccc3=NC2=O)cc1 |c:10,18|
69899 Nc1ncc(c(n1)N1CCCCCC1)[N+]([O-])=O
69900 Nc1nc(N)nc(n1)-c1cc(Cl)ccc1Cl
69901 COc1cc([CH+][N-]NC(=O)COc2ccc(cc2)[N+]([O-])=O)ccc1OCC(=O)N1CCOCC1
69902 Fc1cccc(NC(=O)c2cccc3CN(C4CCCCC4)C(=O)c23)c1
69903 OC(=O)c1ccc2c3OCc4cc(Cl)ccc4-n3nc2c1
69904 Nc1nonc1-n1nnc(C(=O)NN=Cc2c(Cl)cccc2Cl)c1CN1CCOCC1
69905 COc1ccc(cc1)C(=O)N\C(=C/c1ccco1)C(=O)NCCN1CCOCC1
69906 CCN(CC)CCN1C(C(C(=O)c2ccc(cc2)S(=O)(=O)N2CCOCC2)C(=O)C1=O)c1ccccc1
69907 CCCN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(Cl)c1
69908 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccs1
69909 CCN1CCN(CCCNC(=O)c2ccc3S\C(=C\c4cccc(C)c4)C(=O)Nc3c2)CC1
69910 COc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(CC1)C(=O)c1ccco1
69911 Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1
69912 Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
69913 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)o1
69914 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1CN1CCCCC1
69915 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2Cl)c1CN1CCOCC1
69916 CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccc1OCc1c(F)cccc1Cl
69917 CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=CCCc1ccccc1 |w:18.19|
69918 CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccoc1
69919 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccco1
69920 COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCN2CCCCCC2)cc1
69921 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccoc1
69922 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(O)cc2)c1CN1CCCCCC1 |w:13.13|
69923 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2F)c1CN1CCOCC1
69924 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2)c1CN1CCCC1
69925 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1CN1CCCC1
69926 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(F)c2)c1CN1CCCC1
69927 CN(C)c1ccc(C=NNC(=O)c2nnn(c2CN2CCCCCC2)-c2nonc2N)cc1
69928 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2O)c1CN1CCCC1 |w:13.13|
69929 COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCCCN2CCCC2)cc1OC
69930 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2)c1CN1CCCCCC1
69931 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Br)c1CN1CCCC1
69932 CC(C(=O)NC1CCCCCC1)n1cc(cn1)[N+]([O-])=O
69933 COc1cccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NCC2CCCO2)c1
69934 COCc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccn1
69935 O=C(CS(=O)(=O)c1ccccc1)c1cc2ccccc2oc1=O
69936 COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(cc3)C(C)(C)C)c(=O)oc12
69937 CCN1CCCC1CNC(=O)c1ccc2S\C(=C\c3ccc(OC)c(OC)c3)C(=O)Nc2c1
69938 COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)cc1OC
69939 CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)NCc1ccc(C)cc1
69940 COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)c1
69941 CCOc1ccc(CNC(=O)C2CCN(CC2)c2nnc(C)c3c(C)n(nc23)-c2ccc(C)cc2)cc1
69942 COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)cc1
69943 Cc1n(nc2c(nnc(C)c12)N1CCC(CC1)C(=O)N1CCCCCC1)-c1ccc(C)cc1
69944 COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCCC2)c1
69945 Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCC1CCCO1
69946 O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)Nc1ccccc1 |t:5|
69947 COc1ccc2cc(C(=O)CS(=O)(=O)c3ccccc3)c(=O)oc2c1
69948 COc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2cccc(C)c2oc1=O
69949 CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)[nH]1
69950 O=C(NC(=O)c1ccccc1)Nc1ccccn1
69951 CCn1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cn1
69952 Cc1ccc(NC(=O)CSc2nccn2C)cc1F
69953 COc1ccc(CCN2CC(CCC2=O)C(=O)N2CCCC2(CC=C)CC=C)cc1
69954 COc1cccc2c1cc1n2c(C)nn(CC(=O)NCc2ccccn2)c1=O
69955 COc1cccc2c1cc1n2c(C)nn(CC(=O)NCCCc2ccccc2)c1=O
69956 COc1cccc2c1cc1n2c(C)nn(CC(=O)NC2CCCCC2)c1=O
69957 COc1cccc2c1cc1n2c(C)nn(CC(=O)NCCCN2CCN(C)CC2)c1=O
69958 COc1cccc2c1cc1n2c(C)nn(CC(=O)NCCCN2CCCCC2)c1=O
69959 COc1cccc2c1cc1n2c(C)nn(CC(=O)N2CCCCCC2)c1=O
69960 CCc1nn(CC(=O)NCCCc2ccccc2)c(=O)c2cc3c(OC)cccc3n12
69961 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccn1
69962 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1cccc(F)c1
69963 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc(C)cc1Cl
69964 COc1ccc2c(cc3n2c(C)nn(CC(=O)NCCCN2CCOCC2)c3=O)c1
69965 CCc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2cc3c(OC)cccc3n12
69966 CCc1nn(CC(=O)NCCN2CCN(C)CC2)c(=O)c2cc3c(OC)cccc3n12
69967 CCCN1CCN(CCCNC(=O)c2ccc3Sc4ccccc4C(=O)Nc3c2)CC1
69968 COc1cccc(NC(=O)CN(C2=NC3CS(=O)(=O)CC3S2)c2cccc(C)c2)c1 |t:12|
69969 CC1CCCCN1CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12
69970 CC1CN(C(=O)CCC(=O)NCc2ccccc2)c2cc(C)ccc2O1
69971 CN1CCN(CC1)C(=O)CCS(=O)(=O)c1cc2OCC(=O)Nc2cc1Cl
69972 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cn1ncc2c3cc(C)ccc3[nH]c2c1=O
69973 COc1cccc(CNS(=O)(=O)c2cc(CN3C(=O)c4cccnc4C3=O)ccc2OC)c1
69974 COc1ccc(C)cc1NC(=O)CN(C)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(C)=O
69975 COC(=O)c1cc(c[nH]1)S(=O)(=O)N1CCCC(C)C1
69976 COc1ccccc1N1CCN(CCCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1
69977 NC(=O)C1CCN(CC1)c1nc2c(nnn2c2ccccc12)S(=O)(=O)c1ccccc1
69978 COc1ccc(CN(CC(=O)NCc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1
69979 [O-][N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
69980 COc1ccc(cc1)C(=O)OCCc1sc[n+](CC(=O)c2ccccc2)c1C
69981 COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1
69982 Fc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1
69983 CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1C1CC1
69984 COc1ccc(CNC(=O)CN(Cc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1
69985 Fc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1
69986 COc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2ccccn2)cc1
69987 COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2cc(C)ccn2)cc1
69988 COc1ccc(CNC(=O)CN(Cc2ccc(OC)cc2)C(=O)CCC(=O)Nc2nccs2)cc1
69989 [O-][N+](=O)c1cnc(NC(=O)CS(=O)(=O)c2ccccc2)s1
69990 CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nnc1C1CC1
69991 COc1cccc(CNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)-n2cnnn2)c1
69992 COc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1
69993 CCn1c(SCC(=O)NNC(=O)c2ccc(C)cc2)nnc1C1CC1
69994 CCOc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC
69995 CCOc1ccc(OCC)c(NC(=O)CSc2nnc(C3CC3)n2CC)c1
69996 CCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1
69997 CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1C1CC1
69998 COc1ccc(CN(CC(=O)NCCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1
69999 COc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1
70000 CCOc1ccccc1NC(=O)c1nnn(c1N)-c1ccc2OCCOc2c1
70001 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccn1
70002 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(F)c2)c1CN1CCCCCC1
70003 CCCCCOc1ccc(C=NNC(=O)c2nnn(c2CN2CCCCCC2)-c2nonc2N)cc1
70004 CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1
70005 Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCOCC2)cc1
70006 COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)c(=O)oc12
70007 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3SCCC(=O)Nc3c2)cc1
70008 CC(C)(C)C1CCc2onc(C(=O)Nc3ccc4OCOc4c3)c2C1
70009 Cc1ccc2c(cc3n2c(C)nn(CC(=O)NCCN2CCCC2)c3=O)c1
70010 CCN1CCN(CC1)C(=O)Cn1nc(C)n2c(cc3c(OC)cccc23)c1=O
70011 COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1
70012 Cc1nn(CC(=O)NCCCN2CCCCC2)c(=O)c2cc(nn12)-c1ccccc1
70013 CCN1CCN(CCNC(=O)c2ccc3S\C(=C\c4ccc(OC)c(OC)c4)C(=O)Nc3c2)CC1
70014 O=C(NCCCN1CCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
70015 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc2ccccc12
70016 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CN1CCc2ccccc12
70017 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=CCCc1ccccc1 |w:22.23|
70018 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccsc1
70019 COc1ccc(cc1)N(C(=O)c1ccncc1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O
70020 COc1cc(OC)cc(c1)C(=O)NCC1CCCN(C1)C(=O)c1csc(C)n1
70021 CCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)nc1
70022 CN(Cc1cc(C)no1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
70023 Cc1ccc-2c(COc3n-2nc2cc(ccc32)C(O)=O)c1
70024 Fc1ccccc1\C=C1\Sc2ccc(cc2NC1=O)C(=O)NCCCN1CCCC1
70025 Clc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1
70026 O=C(NCCN1CCCCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
70027 Cc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2cccc(C)c2oc1=O
70028 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccnc1
70029 Cc1ccc(cc1)S(=O)(=O)CC(=O)Nc1ncc(s1)[N+]([O-])=O
70030 COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2nccs2)cc1
70031 Cc1onc(c1C(=O)NNC(=O)c1ccc(F)cc1)-c1ccccc1Cl
70032 CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1
70033 Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccn1
70034 COc1ccc(CNCC2COc3ccccc3O2)cc1
70035 CCOc1ccc(CNC(=O)Cn2ccc3cc(ccc23)S(=O)(=O)N2CCCCCC2)cc1
70036 CC1CCCCC1NS(=O)(=O)c1ccc2N(C)C(=O)Cc2c1
70037 COc1cccc2cc(C(=O)CS(=O)(=O)c3ccc(C)cc3)c(=O)oc12
70038 COc1ccccc1CNC(=O)OCc1nccnc1C(=O)Nc1ccc(Br)cn1
70039 CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCC(C)CC1)-c1nonc1N
70040 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccccc2O)CC1 |w:20.21|
70041 CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCCCCC1)-c1nonc1N
70042 CCCN1CCN(CCCNC(=O)Cn2nc(CC)n3c4cccc(OC)c4cc3c2=O)CC1
70043 CCCN1CCN(CCCNC(=O)Cn2nc(C)n3c4ccc(OC)cc4cc3c2=O)CC1
70044 COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)n2c([nH]c3=O)c(sc2=S)C(=O)NC(C)C)c1
70045 COc1cccc2c1cc1n2c(C)nn(CC(=O)N2CCC(C)CC2)c1=O
70046 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(Br)cc1
70047 CC1=C(C#N)C(=O)NC(=O)C1=NNc1ccc(cc1)S(N)(=O)=O |w:11.12,c:1|
70048 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(Cl)cccc1Cl
70049 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
70050 CN1CCN(CC1)C(=O)Cn1ncc2c3ccccc3[nH]c2c1=O
70051 Cc1nn(CC(=O)NCCCN2CCCCC2)c(=O)c2cccn12
70052 CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(C)o1
70053 CCc1ccc(C=NNC(=O)c2nnn(c2CN2CCc3ccccc23)-c2nonc2N)cc1
70054 OCCOc1cccc(CN2CCC(CC2)n2nccc2NC(=O)C2CCCC2)c1
70055 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccs1
70056 Fc1ccc(SCC(=O)Nc2ccc(cc2)N2CCOCC2)cc1
70057 CN(CCOc1ccc(C)cc1)C(=O)C1CCC(=O)N(CCCN2CCOCC2)C1
70058 Clc1ccc(CCN2CC(CCC2=O)C(=O)NCc2ccncc2)cc1
70059 Cc1ncc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2cccc(F)c2)cn1
70060 CCn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1
70061 CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CC1
70062 COc1cccc2cc(C(=O)OC(C)C(=O)c3ccc(C)cc3)c(=O)oc12
70063 CCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1
70064 Cn1c(SCC(=O)Nc2ccc(Br)cn2)nnc1C1CC1
70065 Oc1cccc2c(NC(=S)NC(=O)c3ccco3)cccc12
70066 [O-][N+](=O)c1cnc(NC(=O)CCS(=O)(=O)Cc2ccccc2)s1
70067 CCCCC(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
70068 Clc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC=C)nc1
70069 Cn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1C1CC1
70070 CCn1c(SCC(=O)Nc2nccs2)nnc1C1CC1
70071 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2F)c1CN1CCc2ccccc12
70072 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C(C)c2cccc(Br)c2)CC1 |w:20.21|
70073 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)c1CN1CCCCC1
70074 CCc1ccc(C=NNC(=O)c2nnn(c2CN2CCOCC2)-c2nonc2N)cc1
70075 CC(C)c1ccc(C=NNC(=O)c2nnn(c2CN2CCOCC2)-c2nonc2N)cc1
70076 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2Cl)c1CN1CCOCC1
70077 Cc1nn(CC(=O)N2CCN(CC2)c2ccccn2)c(=O)c2cc3sccc3n12
70078 CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCCC1)-c1nonc1N
70079 CC(=NNC(=O)c1nnn(c1CN1CCc2ccccc12)-c1nonc1N)c1ccccc1O |w:2.2|
70080 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccn2)c1CNc1ccccc1
70081 COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C(=O)c1sc(C)nc1C
70082 FC(F)(F)c1ccc(Cl)c(c1)C(=O)N1CCC(CCC(=O)NC2CC2)CC1
70083 COc1ccc(NC(=O)c2cccc(c2)N2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1
70084 OC1CCN(CC1)[C@@H]1CCN(C[C@H]1O)C(=O)c1cccc(c1)-c1ccccc1
70085 Oc1ccc(cc1)C(=O)OCCCOC(=O)c1ccc(O)cc1
70086 COc1cc(SC)ccc1C(=O)OCC(=O)NCCNC(=O)COC(=O)c1ccc(SC)cc1OC
70087 COc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccncc1 |w:22.24|
70088 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccoc2)c1CSc1ccccc1
70089 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccoc2)c1CSc1ccc(Cl)cc1
70090 Cc1ccc(SCc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccoc2)cc1
70091 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(O)c1)C1CCCCC1
70092 COc1ccccc1C=NNC(=O)c1nnn(c1CN(C)c1ccccc1)-c1nonc1N
70093 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(F)c1)c1ccccc1
70094 CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccoc1
70095 Nc1nonc1-n1nnc(C(=O)NN=Cc2c(F)cccc2Cl)c1-c1ccc2OCOc2c1
70096 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccn2)c1-c1ccccc1
70097 Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(O)c2)c1CN1CCCC1
70098 [O-][n+]1ccc(cc1)C(=O)OCCCOC(=O)c1cc[n+]([O-])cc1
70099 C[C@H](NC(=O)[C@@H]1CSC2N1C(=O)c1ccccc21)C(=O)NCc1c(F)cccc1Cl
70100 COc1ccc(CCN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2C)cc1OC
70101 CCc1c(C)scc1C(=O)Nc1ccccc1C(N)=O
70102 CN1CCN(CC1)NC(=O)Nc1cccc(c1)C(C)=O
70103 COc1ccc(NC(=O)NC2CCCc3ccccc23)cc1
70104 O=C(Nc1ccccc1)Nc1cnccn1
70105 Fc1ccc(NC(=O)Nc2ccc3OCOc3c2)c(F)c1
70106 COc1cccc2cc(C(=O)NCc3ccccc3Br)c(=O)oc12
70107 Cc1ccc(NC(=O)NCCCN2CCCC2=O)cc1C
70108 Clc1cccc2c(cc(nc12)-c1ccccc1)C(=O)NN=Cc1cccnc1
70109 CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccco1
70110 COc1cccc(NC(=O)NNS(=O)(=O)c2ccc(OC)cc2OC)c1
70111 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccc1F)c1ccccc1
70112 Cc1cccc(COc2ccc(C=NNC(=O)c3nnn(c3CN3CCCCC3)-c3nonc3N)cc2)c1
70113 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2F)c1-c1cccs1
70114 CCCOc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccco1 |w:24.26|
70115 Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccn1
70116 CCCCOc1ccc(C=NNC(=O)c2nnn(c2CN2CCCCCC2)-c2nonc2N)cc1
70117 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(OCc3ccccc3F)cc2)c1CN1CCCCC1
70118 COc1ccc(cc1OC)C(=O)NCC(=O)NN=Cc1ccc(C)o1
70119 Oc1ccccc1C(=O)OCCCOC(=O)c1ccccc1O
70120 Cc1ccnc(NC(=O)c2ccc(s2)[N+]([O-])=O)c1
70121 COc1cccc2cc(C(=O)NCc3ccc(C)cc3)c(=N)oc12
70122 COc1ccc(cc1)C(=O)NC(=S)NC1CCCCC1
70123 CC(=NNC(=O)c1ccc(o1)C(=O)NN=C(C)c1ccco1)c1ccco1 |w:14.14,2.2|
70124 CC(=O)c1sc(NC(=O)CCNC(=O)c2ccco2)nc1-c1ccccc1
70125 CCOc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1cccs1 |w:23.25|
70126 CC(=O)Nc1ccc(cc1)C(=O)OCCCOC(=O)c1ccc(NC(C)=O)cc1
70127 CC1CN(CC(C)O1)C(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
70128 CC(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
70129 Cc1ccnc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)c1
70130 Cc1coc2cc3oc(=O)c(CCC(=O)NCCCN4CCCC4=O)c(C)c3cc12
70131 [H][C@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)C(=O)Cc1ccc(OC)cc1 |TLB:9:8:7:3.2.4|
70132 CC(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
70133 COc1ccc2c(C)c(CC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)c(=O)oc2c1
70134 CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(O)cc1)C1CCCCC1 |w:17.18|
70135 COc1ccc(c(OC)c1)S(=O)(=O)Nc1c([nH]c2ccc(OC)cc12)C(O)=O
70136 [O-][N+](=O)c1cnc(NC(=O)c2ccco2)s1
70137 O=C1CN=C(c2c3CCCCc3sc2N1)c1ccccc1 |c:3|
70138 Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1
70139 COc1ccccc1-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCC1CCCO1
70141 Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1c2CS(=O)(=O)Cc2nn1C(C)(C)C
70142 CC(=O)N1CCc2c(C1)sc(NC(=O)C1COc3ccccc3O1)c2C(N)=O
70143 CNC(=O)c1ccsc1NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)s1
70144 Clc1cccc(c1)C(=O)NCC(N1CCOCC1)c1ccco1
70145 Fc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1ccc2OCOc2c1)c1ccco1
70146 FC(F)(F)c1cccc(c1)C(=O)NCc1nnc(SCC(=O)NC2CCCCC2)o1
70147 Clc1ccccc1C(=O)NCC(N1CCc2ccccc2C1)c1ccco1
70148 Cc1ccc2sc(nc2c1C)N1CCN(CCNC(=O)c2ccco2)CC1
70149 CC(=O)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C(N)=O
70150 CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccc3ncsc3c2)o1
70151 CC(=O)N1CCc2c(C1)sc(NC(=O)CS(=O)(=O)c1ccc(F)cc1)c2C(N)=O
70152 CN(C)CCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)CC1CCCO1)c1nc2c(C)cc(C)cc2s1
70153 Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)NCc1ccc(F)cc1
70154 Cc1cccn2c1nc(SCC(=O)NC1CCCCC1)nc2=O
70155 COc1cccc(c1)-c1ccc2nnc(SCC(=O)Nc3ccc(NC(C)=O)cc3)n2n1
70156 Cc1ccccc1NC(=O)CSc1nnc2ccc(nn12)-c1ccncc1
70157 CCCc1cc(=O)[nH]c2nnc(SCC(=O)Nc3nccs3)n12
70158 Clc1ccc(Cl)c(c1)-c1nnc(NC(=O)c2ccco2)o1
70159 CC(=O)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccc(C)cc1)c2C(N)=O
70160 COc1ccc(C)cc1S(=O)(=O)Nc1cc2CCN3c2c(CCC3=O)c1
70161 CCCCCCSc1ccc(cc1)[C@H]1N[C@](CC(C)C)([C@@H]2[C@H]1C(=O)N(C)C2=O)C(=O)OC
70162 CCN1C(=O)[C@H]2[C@H](N[C@](CC(C)C)([C@H]2C1=O)C(=O)OC)c1ccc(cc1)-c1ccccc1
70163 CCN(CC)C(=O)Cn1cc(C(=O)C(=O)Nc2ccc3OCCOc3c2)c2ccccc12
70164 NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
70165 Fc1cccc(F)c1C(=O)NCC(N1CCc2ccccc12)c1ccco1
70166 C[C@H]1[C@H](O[C@H](N1C)c1ccccc1Br)c1ccccc1
70167 OC(c1ccccc1)c1ccncc1
70168 Oc1c(C(=O)NCCCN2CCCC2=O)c(=O)nc2sccn12
70169 Cc1cccc(c1)C(=O)NCC(N1CCc2ccccc12)c1ccco1
70170 Fc1ccc(cc1)N1CCN(CC1)C(CNC(=O)c1cccs1)c1ccco1
70171 COc1ccc(cc1)S(=O)(=O)NCC(N1CCOCC1)c1ccc2OCOc2c1
70172 CCN(CC)CCNC(=O)C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
70173 CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCN(C)C)c1nc2c(C)c(C)ccc2s1
70174 Fc1ccc(CNC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3F)o2)cc1
70175 Fc1ccc(cc1)-n1ncc2c(SCC(=O)NCC3CCCO3)ncnc12
70176 [O-][N+](=O)c1cccc(c1)C(=O)NCC(N1CCc2ccccc12)c1ccco1
70177 COc1cccc(c1)C(=O)NCC(N1CCc2ccccc2C1)c1ccco1
70178 CC(C)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C(N)=O
70179 COCCOc1ccc(cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1)C(F)(F)F
70180 COc1cccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccc(F)cc2)c1
70181 CC1CCCC(NC(=O)C2CCN(CC2)C(=O)Nc2ccccc2)C1C
70182 Fc1ccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)cc1F
70183 CCN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
70184 COc1ccc2nc(NC(=O)CSc3nnc(N)[nH]3)sc2c1
70185 Cc1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)nc1
70186 CCCCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCCOc2c1
70187 Cc1cc(C)n2nc(nc2n1)C(=O)OCC(=O)NC(=O)c1ccccc1
70188 CC(C)N(Cc1nnc(o1)-c1ccc(Cl)cc1)C(=O)C1=COCCO1 |t:21|
70189 COc1ccc(COC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)C(C)=O)cc1
70190 CCCOC(=O)c1ccc(O)cc1
70191 CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccccn2)n1
70192 CC(C)(C)c1ccc(cc1)-c1coc(CCC(=O)Nc2ccccn2)n1
70193 CC1(C)Cc2nc(NC(=O)c3ccc4ncsc4c3)sc2C(=O)C1
70194 CC(=O)Nc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70195 CS(=O)(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70196 CC(C)(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
70197 Clc1cccc(c1)-n1nc2ccc(NC(=O)COc3ccccc3)cc2n1
70198 Cc1ccc(cc1)-n1nc2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2n1
70199 Cc1ccc(OCC(=O)Nc2ccc3nn(nc3c2)-c2cccc(c2)C(F)(F)F)cc1C
70200 COc1ccc(cc1)-n1nc2ccc(NC(=O)C(C)(C)C)cc2n1
70201 CC(C)(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1
70202 COc1ccc(cc1)-n1nc2ccc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)cc2n1
70203 CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(Cl)cc1
70204 Cc1ccc(cc1)-n1nc2cc(Cl)c(NC(=O)c3cccnc3)cc2n1
70205 CCOc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70206 CC(C)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70207 COc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70208 CC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
70209 CC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1-c1ccccc1
70210 CC(NC(=O)c1ccccc1)c1nc(no1)-c1ccc(cc1)C(C)(C)C
70211 Cc1cccc(NC(=O)CCc2nc(no2)-c2ccc(cc2)C(C)(C)C)c1
70212 CCOc1ccc(NC(=O)CCc2nc(no2)-c2ccc(cc2)C(C)(C)C)cc1
70213 CC(C)(C)c1ccc(cc1)-c1noc(CCCC(=O)Nc2ccccc2Cl)n1
70214 CCNC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70215 CN(C)C(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
70216 CN(C)C(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
70217 CCNC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
70218 CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccc(nc2)N2CCOCC2)n1
70219 CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccncc2)n1
70220 CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)NCc2ccccc2)n1
70221 CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccccc2)n1
70222 CC(C)(C)c1ccc(cc1)-c1noc(CCc2nc3ccccc3[nH]2)n1
70223 Clc1cc2nn(nc2cc1NC(=O)C1CC1)-c1ccccc1
70224 Clc1cc2nn(nc2cc1NC(=O)C1COc2ccccc2C1)-c1ccccc1
70225 Clc1cc2nn(nc2cc1NC(=O)Cc1ccccc1)-c1ccccc1
70226 OC(=O)c1cc(ccc1Cl)N=NCc1ccc(cc1)-c1ccccc1 |w:10.10|
70227 Cc1cc(C)cc(c1)-n1cccc1\C=C1/C(=O)N=C2SN=C(N2C1=N)S(C)(=O)=O |c:22,t:19|
70228 CC(C)S(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(o3)-c3cccc(c3)C(O)=O)C(=N)N12 |t:6,9|
70229 Cc1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C2/C(=O)N=C3SN=C(N3C2=N)S(C)(=O)=O)cc1 |c:23,t:20|
70230 CS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 |t:4,7|
70231 CCS(=O)(=O)C1=NSC2=NC(=O)\C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=N)N12 |t:5,8|
70232 CC(C)NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)NCCc1ccc(Cl)cc1
70233 Oc1c(cc([N+]([O-])=O)c2oc(c(Br)c12)-c1ccccc1)[N+]([O-])=O
70234 Oc1ccccc1C(=O)NNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O |w:11.11|
70235 COc1cc(\C=N\NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(cc1)C(O)=O
70237 CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1cccc(c1)[N+]([O-])=O
70238 CCOc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(c1O)[N+]([O-])=O
70239 OC(=O)c1ccccc1C(=O)N(Cc1cccc(Oc2ccc(Cl)cc2)c1)[C@H]1CCCc2ccccc12
70240 Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc2OCOc2c1
70241 Cc1nn(c(Cl)c1C1C(C#N)C(=N)Oc2n[nH]c(C)c12)-c1ccccc1
70242 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccccc1OCC
70243 N=C1Oc2[nH]nc(c2C(C1C#N)c1ccncc1)-c1ccccc1
70244 CCOc1cc(ccc1OCCN1CCOCC1)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
70245 Cc1[nH]nc2OC(=N)C(C#N)C(c3ccoc3)c12
70246 CCOC(=O)C(C#N)C(c1c(C)[nH][nH]c1=O)c1cccnc1
70247 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccccc1OC
70248 O=C(CSC1=NCCS1)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1 |t:4|
70249 CCOC(=O)CSc1nnc(NCC(=O)OC(C)C)c(=O)[nH]1
70250 COc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccncc1
70251 Cc1ccc2nsnc2c1NS(=O)(=O)c1c(C)ccc2nsnc12
70252 CCC(N(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1)c1nnnn1Cc1ccco1
70253 COc1cccc(C2C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c1OC
70254 Oc1c(Cl)c(N=CC2CCCO2)c(O)n1-c1ccccc1 |w:5.4|
70255 COc1cccc(OC(=O)CSc2nnc(o2)-c2ccccc2Br)c1
70256 CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)cc1 |c:8|
70257 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccccc1F
70258 Cc1[nH]nc2OC(=N)C(C#N)C3(CCN(CC3)C(=O)c3ccccc3)c12
70259 CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1ccccc1
70260 CCCCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O
70261 Cc1nn(c2OC(=N)C(C#N)C(c12)c1cccnc1)-c1cccc(Cl)c1
70262 CC(C)c1[nH]nc2OC(=N)C(C#N)C(Cc3ccccc3)c12
70263 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cc(OC)cc(OC)c1
70264 Cc1[nH]n(C(N)=S)c(=O)c1C(C(C#N)C#N)c1ccccc1
70265 Cc1nn(c2OC(=N)C(C#N)C(c3cccs3)c12)-c1ccc(C)cc1
70266 CCOC(=O)CNc1nnc(SCC(=O)OCC)[nH]c1=O
70267 Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(C)cc1
70268 N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1cccnc1
70269 COc1ccc(OC)c(c1)C1C(C#N)C(=N)Oc2c1c(C)nn2-c1ccc(C)cc1
70270 Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(Cl)cc1
70271 COCc1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
70272 CCn1c(COc2cccc3ccccc23)nnc1SCC(N)=O
70273 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC)c(OC)c1
70274 CCOC(=O)Cc1c(C)c2c(C)[nH]nc2oc1=O
70275 CCCC1C(C#N)C(=N)Oc2n[nH]c(CCC)c12
70276 Cc1ccc2-c3c(ssc3=S)C(C)(C)N(C(=O)CSc3nncn3C)c2c1
70277 CCCc1[nH][nH]c(=O)c1C(C(C#N)C#N)c1cccc(Cl)c1
70278 CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:10|
70279 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)cc1OC
70280 CCC(=O)Nc1c(C)nn(C(=O)CC)c1C
70281 CCCCCCn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCC(CC1)C(N)=O
70282 COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C(c3c[nH]c4ccccc34)c12
70283 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OCCN2CCOCC2)c(OC)c1
70284 CCOC(=O)Cc1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(OC)c1OC
70285 Cc1nn(c2OC(=N)C(C#N)C(c3ccoc3)c12)-c1ccc(C)cc1
70286 CCOc1cc(ccc1OCCN1CCOCC1)C1C(C#N)C(=N)Oc2n[nH]c(CC)c12
70287 CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)s1
70288 CCCCS\C(=C(\C#N)C(N)=O)c1cc2CCCCc2[nH]1
70289 COc1cc(cc2OCOc12)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
70290 Cc1[nH]nc2OC(=N)C(C#N)C3(CCN(CC3)C(=O)OCc3ccccc3)c12
70291 CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc2OCCOc2c1
70292 CN(C)c1ccc(NC(=O)c2ccncc2)c2ccccc12
70293 CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:15|
70294 CS(O)(=O)=O.[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:41|
70295 CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1
70297 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccccc1OC
70298 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(OC)c1
70299 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC)c1
70300 COCc1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC)cc1
70301 Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccc(F)cc1F)-c1ccccc1
70302 CN1CN(CCOc2cccc(C)c2)CSC1=S
70303 COC(=O)CSc1nc2sc3CN(C)CCc3c2c(=O)n1C1CCCCC1
70304 COc1ccc(cc1CSc1ccccn1)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
70305 Cc1nn(c2OC(=N)C(C#N)C(c3ccco3)c12)-c1ccccc1
70306 CCCc1nn(C)c2OC(=N)C(C#N)C(c12)c1cccnc1
70307 Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccncc1)-c1cccc(Cl)c1
70308 Cc1[nH]nc2OC(=N)C(C#N)C(CCc3ccccc3)c12
70309 CCCCNC1C(CC)C(CCC)C(C#N)(C#N)C1(C#N)C#N
70310 [O-][n+]1c2-c3ccccc3C(=O)c2nc2CCCCc12
70311 COc1ccc(OC)c(c1)C1C(C#N)C(=N)Oc2c1c(C)nn2-c1cccc(Cl)c1
70312 Cc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)CN1CCSCC1
70313 CCCCCCOc1ccc(cc1)C(=O)n1cnc(N)n1
70314 Cc1[nH]nc2OC(=N)C(C#N)C3(CCOCC3)c12
70315 CCCc1nn(C)c2OC(=N)C(C#N)C(c12)c1ccncc1
70316 COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1
70317 Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccc(F)cc1)-c1ccc(C)cc1
70318 CCOC(=O)Cc1n[nH]c2OC(=N)C(C#N)C(c12)c1cc(OC)ccc1OC
70319 CC(C)(C)c1[nH]nc2OC(=N)C(C#N)C(Cc3ccccc3)c12
70320 CCCC1C(C#N)C(=N)Oc2n[nH]c(c12)C(C)(C)C
70321 Fc1cccc(F)c1[C@@H]1[C@H]2CC3(CCC2=C(C#N)C(=N)C1(C#N)C#N)OCCO3 |t:16|
70322 CCOC(=O)c1ccc(CC2SC(NC2=O)=C(C#N)C(C)=O)cc1 |w:12.11|
70323 N=C1C(C#N)C(C#N)(C#N)C(N1c1ccccc1)c1ccccc1
70324 Oc1ccc(O)n1-c1ccccc1OC(=O)c1ccco1 |(8.14,1.55,;9.61,2.03,;10.08,3.49,;11.62,3.49,;12.1,2.03,;13.56,1.55,;10.85,1.13,;10.85,-.41,;12.19,-1.18,;12.19,-2.72,;10.85,-3.49,;9.52,-2.72,;9.52,-1.18,;8.18,-.41,;6.85,-1.18,;6.85,-2.72,;5.52,-.41,;5.36,1.12,;3.85,1.44,;3.08,.1,;4.11,-1.04,)|
70325 CCOc1ccc(cc1OC(=O)C1CC1)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
70326 COCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
70327 O=C1CCCC2=Nc3[nH]n(-c4ccccc4)c(=O)c3C(C12)c1ccc2OCOc2c1 |t:5|
70328 CCOc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(O)cc1
70329 CC(C)c1[nH]nc2OC(=N)C(C#N)C(c12)c1cccnc1
70330 CC(C)N1C(=O)C2(C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12
70331 CC(C)Cn1c(N)c(c2nc3ccccc3nc12)S(=O)(=O)c1cccs1
70332 Cc1cccc(c1)S(=O)(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
70333 CC(C)C[C@H](N)c1nnc(o1)S(=O)(=O)Cc1ccc(F)cc1
70334 CN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1
70335 N=C1Oc2[nH]nc(c2C(C1C#N)c1ccsc1)-c1ccncc1
70336 Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc12
70337 CC(=O)NC(=S)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O
70338 CC(=O)N1C(=O)C2(C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12
70339 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CCO)CC1)c1cccnc1
70340 O=C(Oc1ccc2ccccc2c1)c1ccco1
70341 Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1C1CC1
70342 CC(C)(C)c1noc2N=C(N)C(C#N)C(c3cccs3)c12 |t:8|
70343 Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)c2ccco2)cc1
70344 Cc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
70345 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)N2CCOCC2)c(OC)c1
70346 CCC(CC)C(=O)NCc1ccc2n(C)c(C)cc2c1
70347 CC(C)c1[nH]nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c12
70348 CCOC(=O)C(CC)Sc1ncnc2n(nnc12)-c1ccc(F)cc1
70349 CCOc1ccccc1C1C(C#N)C(=N)Oc2n[nH]c(CC)c12
70350 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccncc1
70351 O=C(Nc1cccc(OC(=O)c2ccco2)c1)c1ccco1
70352 Fc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
70353 COc1ccccc1NC(=O)C1C(c2ccncc2)n2nnnc2N=C1C |c:27|
70354 O=c1cc([nH][nH]1)C1CCNCC1
70355 Cc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)N2CCOCC2)cc1
70356 COC(=O)C(C)Sc1ncnc2n(nnc12)-c1ccc(F)cc1
70357 COC(=O)CSc1nsc(SCC(=O)OC=C)c1C#N
70358 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCCCC1C)C(F)(F)F
70359 Cc1[nH]n(c(=O)c1Sc1ccc(C)cc1)C(C)(C)C
70360 CCOC(=O)C(C)Sc1ncnc2n(nnc12)-c1ccc(F)cc1
70361 Cc1ccc(cc1)-n1nnc2c(SCC(=O)NCC3CCCO3)ncnc12
70362 CCOc1ccccc1Nc1nnc(Cc2ccccc2Cl)c(=O)[nH]1
70363 CCN(CC)c1ccc2NCCCc2c1
70364 CCCc1noc2N=C(N)C(C#N)C(c3ccoc3)c12 |t:7|
70365 CCCc1[nH]nc2OC(=N)C(C#N)C(c3c[nH]nc3-c3ccc(F)cc3)c12
70366 CC(C)(C)OC(=O)N1CCC(CC1)c1cc(=O)[nH][nH]1
70367 CCCc1[nH]nc2OC(=N)C(C#N)C(c3ccc(Br)s3)c12
70368 Cc1[nH]n(c(=O)c1Sc1ccccc1)C(C)(C)C
70369 Cc1[nH]nc2OC(=N)C(C#N)C(c3c[nH]nc3-c3ccc(F)cc3)c12
70370 COc1ccc(cc1)-c1n[nH]c2OC(=N)C(C#N)C(c12)c1ccccc1OC(=O)N1CCOCC1
70371 Cc1ccc(o1)C1C(C#N)C(=N)Oc2nc([nH]c12)-c1ccccc1
70372 Clc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1
70373 CC(=O)NCCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
70374 Cc1cc(=O)n([nH]1)-c1ccc(O)cc1
70375 Fc1ccc(cc1)-n1nnc2c(SCC(=O)NCC3CCCO3)ncnc12
70376 CC(C)c1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)c2ccco2)cc1
70377 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)c2ccco2)c1
70378 Cc1ccc(cc1)S(=O)(=O)NCC1CCC(CC1)C(=O)NCCCN1CCOCC1 |(4.62,-11.17,;4.62,-9.63,;3.29,-8.86,;3.29,-7.32,;4.62,-6.55,;5.95,-7.32,;5.95,-8.86,;4.62,-5.01,;3.08,-5.01,;6.16,-5.01,;4.62,-3.47,;5.95,-2.7,;5.95,-1.16,;7.29,-.39,;7.29,1.16,;5.95,1.93,;4.62,1.16,;4.62,-.39,;5.95,3.47,;4.62,4.24,;7.29,4.24,;7.29,5.78,;8.62,6.55,;8.62,8.09,;9.95,8.86,;9.95,10.4,;11.29,11.17,;12.62,10.4,;12.62,8.86,;11.29,8.09,)|
70379 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)N2CCOCC2)cc1
70380 CC(C)c1[nH]nc2OC(=N)C(C#N)C(c12)c1cccc(OC(=O)N2CCOCC2)c1
70381 COC(=O)CN1C(=O)C2(C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12
70382 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(O)cc1OCC
70383 N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1cccs1
70384 CCn1c2ccccc2c2cc(ccc12)C1C(C#N)C(=N)Oc2[nH]nc(COC)c12
70385 COc1ccc(cc1)N(C(=O)c1ccco1)S(=O)(=O)c1cccs1
70386 COC(=O)C(C#N)C(c1c(C)[nH][nH]c1=O)c1cccnc1
70387 COC(=O)c1ccccc1OC(=O)c1ccc(Br)o1
70388 Cc1[nH]nc2OC(=N)C(C#N)C3(CCN(Cc4ccccc4)CC3)c12
70389 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OCCN2CCOCC2)c(OCC)c1
70390 CCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(C)cc2)nnc1-c1ccccc1O
70391 CCOC(=O)C1=C(C)N=C(SCc2cc(=O)[nH][nH]2)C(C#N)C1c1cccs1 |c:5,t:8|
70392 COc1ccc(OC)c(c1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccco3)c12
70393 Cc1nnc(Sc2nc3ccccc3o2)c2ccccc12
70394 Fc1ccc(cc1)N1CC(CC1=O)C(=O)Oc1ccc(Br)cc1
70395 CCOC(=O)c1[nH]c(=O)c2ccccc2c1O
70396 N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccoc1
70397 CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O
70398 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26|
70399 Cc1ccc(SCc2n[nH]c3OC(=N)C(C#N)C(c4ccco4)c23)cc1
70400 COC(=O)Cc1n[nH]c2OC(=N)C(C#N)C3(CCSCC3)c12
70401 CCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cccnc1
70402 COc1cc(OC)cc(c1)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1cccnc1
70403 N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccsc1
70404 COc1ccc(cc1)N1C(=O)C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C1=O |t:13|
70405 N=C1Oc2[nH]nc(-c3cccs3)c2C(C1C#N)c1ccco1
70406 COC(=O)Cc1cc(=O)n([nH]1)-c1ccccc1
70407 CCOC(=O)Cc1n[nH]c2OC(=N)C(C#N)C(c3ccoc3)c12
70408 Cc1[nH]nc2OC(N)=C(C#N)C3(CCC4(CC3)OCCO4)c12 |t:7|
70409 CCN1C(=O)c2c(C1=O)c1ccccc1nc2C
70410 CC(C)N1C(=O)c2c(C1=O)c1ccccc1nc2C
70411 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc(=O)[nH][nH]1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
70412 COc1ccccc1-c1cnnc(=S)[nH]1
70413 CCc1[nH]nc2OC(=N)C(C#N)C3(CCN(CC3)C(=O)c3ccccc3)c12
70414 Cc1cc(c(C)s1)-c1n[nH]c2OC(=N)C(C#N)C(c3ccsc3)c12
70415 null
70416 CC1(C)CC(=O)C2C(c3c(N=C2C1)[nH]n(-c1ccccc1)c3=O)c1ccc2OCOc2c1 |c:10|
70417 CCSc1cc(C2C(C#N)C(=N)Oc3n[nH]c(C)c23)c(C)o1
70418 Cc1ccccc1N1C(Nc2cccnc2)c2ccccc2C1=O
70419 CN(CCC#N)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
70420 CCOCC(=O)NCc1ccc2n(C)c(C)cc2c1
70421 Cc1nn(c2OC(=N)C(C#N)C(c12)c1ccncc1)-c1ccccc1
70422 Cc1ccc(c(C)c1)-n1c(O)c(Cl)c(NCC=O)c1O |(5.79,-7.3,;5.79,-5.76,;7.12,-4.99,;7.12,-3.45,;5.79,-2.68,;4.46,-3.45,;3.12,-2.68,;4.46,-4.99,;5.79,-1.14,;4.54,-.24,;3.08,-.71,;5.02,1.23,;4.12,2.47,;6.56,1.23,;7.47,2.47,;6.84,3.88,;7.74,5.12,;7.12,6.53,;7.04,-.24,;8.5,-.71,)|
70423 O=C(CCS(=O)NCc1ccccc1)NCc1ccccc1
70424 Clc1ccc(Sc2oc(C=Nn3cnnc3)cc2Br)cc1
70425 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC(=O)c2ccco2)cc1
70426 Cc1nn(Cc2ccccc2)c2OC(=N)C(C#N)C(c3ccco3)c12
70427 CCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1
70428 COc1ccc(OC)c(c1)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O |t:15|
70429 COc1ccc(cc1Cn1nnc2ccccc12)C1C(C#N)C(=N)Oc2n[nH]c(C)c12
70430 Cc1nn(c2OC(=N)C(C#N)C(c3ccco3)c12)-c1ccc(C)cc1
70431 ClC1=C(N2CCCCCC2)C(=O)N(C1=O)c1ccccc1 |c:1|
70432 N=C1Oc2[nH]nc(c2C(C1C#N)c1cccc(OC(=O)N2CCOCC2)c1)-c1ccccc1
70433 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc(c2)C#N)n[nH]1
70434 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2C#N)n[nH]1 |(-5.72,1.04,;-4.95,-.29,;-3.48,-.77,;-3.48,-2.31,;-2.15,-3.08,;-.82,-2.31,;-.82,-.77,;.52,,;.52,1.54,;1.85,-.77,;1.85,-2.31,;3.19,-3.08,;.52,-3.08,;3.19,,;4.52,-.77,;5.85,,;5.85,1.54,;4.52,2.31,;3.19,1.54,;1.85,2.31,;.52,3.08,;-4.95,-2.79,;-5.85,-1.54,)|
70435 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(Cl)c(c2)C#N)n[nH]1
70436 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc(c2)C(O)=O)n[nH]1
70437 CC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70438 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc(c2)C(F)(F)F)n[nH]1
70439 COCCOc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)NCCN3CCOCC3)c(C)c12
70440 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2cccc(Cl)c2Cl)n[nH]1 |(-5.72,.65,;-4.95,-.68,;-3.48,-1.15,;-3.48,-2.69,;-2.15,-3.47,;-.82,-2.69,;-.82,-1.15,;.52,-.38,;.52,1.15,;1.85,-1.15,;1.85,-2.69,;3.19,-3.47,;.52,-3.47,;3.19,-.38,;4.52,-1.15,;5.85,-.38,;5.85,1.15,;4.52,1.93,;4.52,3.47,;3.19,1.15,;1.85,1.93,;-4.95,-3.17,;-5.85,-1.93,)|
70441 CCOC(=O)Cc1c(C)c2c(OCCOC)cc(O)c(C=O)c2oc1=O
70442 COCCNC(=O)Cc1c(C)c2c(OCCOC)cc(O)c(C=O)c2oc1=O
70443 COCCOc1cc(O)c(C=O)c2oc(=O)c(CC(=O)N3CCOCC3)c(C)c12
70444 COCCOc1cc(O)c(C=O)c2oc(=O)c(CC(=O)N3CCN(C)CC3)c(C)c12
70445 CCNC(=O)Cc1c(C)c2c(OCCOC)cc(O)c(C=O)c2oc1=O
70446 COCCOc1cc(O)c(C=O)c2oc(=O)c(CC(=O)NCCN3CCOCC3)c(C)c12
70447 COCCOc1cc(O)c(C=O)c2oc(=O)c(CC(=O)NCCN(C)C)c(C)c12
70448 COCCOc1cc(O)c(C=O)c2oc(=O)c(C)c(C)c12
70449 COC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70450 CS(=O)(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
70451 CS(=O)(=O)Nc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70452 CN(C)C(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70453 CS(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70454 COc1cc(ccc1OS(=O)(=O)c1ccc(C)cc1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70455 CN(C)C(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70456 CNC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70457 CNC(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;HN;;;;;;;;;;;;;;;;;;;;;;;$|
70458 CCOC(=O)c1c(NC(C)=O)sc2c1CCC(\C=N\CCCN(CC)CC)=C2Sc1ccccc1 |c:27|
70459 CNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
70460 COc1ccccc1\C=C\C1(CC(=O)N1c1ccc(F)cc1)C(=O)NC1CCCC1
70461 CNS(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70462 COc1ccccc1-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |(1.85,3.47,;1.85,1.93,;3.19,1.15,;4.52,1.92,;5.85,1.15,;5.85,-.39,;4.52,-1.16,;3.19,-.39,;1.85,-1.16,;.52,-.39,;.52,1.15,;-.82,-1.16,;-.82,-2.7,;-2.15,-3.47,;-3.48,-2.7,;-4.95,-3.17,;-5.85,-1.93,;-4.95,-.68,;-5.72,.65,;-3.48,-1.16,;.52,-3.47,;1.85,-2.7,;3.19,-3.47,)|
70463 CS(=O)(=O)c1ccc(cc1F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70464 COc1cc(O)c(C=O)c2oc(=O)c(CC(=O)N3CCN(C)CC3)c(C)c12
70465 CC(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70466 CN(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70467 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(Cl)cc2Cl)n[nH]1 |(-6.38,1.42,;-5.61,.09,;-4.15,-.39,;-4.15,-1.93,;-2.82,-2.7,;-1.48,-1.93,;-1.48,-.39,;-.15,.38,;-.15,1.92,;1.18,-.39,;1.18,-1.93,;2.52,-2.7,;-.15,-2.7,;2.52,.38,;3.85,-.38,;5.19,.39,;5.19,1.93,;6.52,2.69,;3.85,2.7,;2.52,1.93,;1.18,2.69,;-5.61,-2.4,;-6.52,-1.16,)|
70468 CN(CCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(=O)OC(C)(C)C |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
70469 CCNC(=O)CCc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O
70470 CNCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70471 CN1C(C)(C)CC(CC1(C)C)Sc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70472 CN(C(=O)OC(C)(C)C)C(C)(C)COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70473 COCCOc1cc2c(C)c(CC(=O)NCCN3CCOCC3)c(=O)oc2c(C=O)c1O
70474 COCCOc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O
70475 COCCOc1cc2c(C)c(CC(=O)N3CCN(C)CC3)c(=O)oc2c(C=O)c1O
70476 COCCNC(=O)Cc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O
70477 CCNC(=O)Cc1c(C)c2cc(OCCOC)c(O)c(C=O)c2oc1=O
70478 CC(C)(C)OC(=O)N1CCCC(C1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70479 Nc1nc(Nc2cc(Cl)c(-c3ccc(OC4CCCNC4)cc3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
70480 CC(C)(C)CCN1CCCC(C1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70481 COc1cc(O)c(C=O)c2oc(=O)c(CCC(=O)NCCN(C)C)c(C)c12
70482 CN1CCCC(C1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70483 Nc1nc(Nc2cc(Cl)c(-c3ccc(OC4CCCN(CCC(F)(F)F)C4)cc3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70484 CC(C)(C)OC(=O)NCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70485 NCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70486 CC(C)(C)CCNCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70487 Cc1cc(C)c(C#N)c(SCc2n[nH]c3OC(=N)C(C#N)C(c23)c2ccc(F)cc2)n1
70488 COC(=O)c1[nH]c(=O)c2ccccc2c1O
70489 Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
70490 CC(C)(C)CCN(CCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)CCC(C)(C)C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;$|
70491 COCCNC(=O)CCc1c(C)c2cc(OCCN3CCOCC3)c(O)c(C=O)c2oc1=O
70492 Cc1c(C)c(=O)oc2c(C=O)c(O)c(OCCN3CCOCC3)cc12
70493 CCNC(=O)CCc1c(C)c2cc(OCCN3CCOCC3)c(O)c(C=O)c2oc1=O
70494 COCCNC(=O)Cc1c(C)c2cc(OCCN3CCOCC3)c(O)c(C=O)c2oc1=O
70495 Cc1c(CC(=O)N2CCOCC2)c(=O)oc2c(C=O)c(O)c(OCCN3CCOCC3)cc12
70496 COc1cc2c(oc(C)c(CC(=O)N3CCOCC3)c2=O)c(C=O)c1O
70497 COc1cc2c(oc(C)c(CC(=O)N3CCN(C)CC3)c2=O)c(C=O)c1O
70498 Cc1noc2ncnc(Sc3ccccc3Cl)c12
70499 [O-][N+](=O)c1cccc2[nH]nnc12
70500 CCOC(=O)c1nnc(nc1Sc1ccccc1Cl)-c1ccccc1
70501 CCNC(=O)Cc1c(C)oc2c(C=O)c(O)c(OC)cc2c1=O
70502 COc1cc2c(oc(C)c(CC(=O)NCCN3CCOCC3)c2=O)c(C=O)c1O
70503 COc1cc2c(oc(C)c(CC(=O)NCCN(C)C)c2=O)c(C=O)c1O
70504 COCCNC(=O)CCc1c(C)oc2c(C=O)c(O)c(OC)cc2c1=O
70505 CCNC(=O)CCc1c(C)oc2c(C=O)c(O)c(OC)cc2c1=O
70506 Cc1onc(c1-c1nc2ccccc2c(=O)o1)-c1ccccc1
70507 COc1cc2c(oc(C)c(CCC(=O)NCCN(C)C)c2=O)c(C=O)c1O
70508 COCCNC(=O)CCc1c(C)oc2c(C=O)c(O)ccc2c1=O
70509 Brc1ccc(Cn2c(nc3ccccc23)-c2ccc(Br)o2)o1
70510 Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)N1CCOCC1
70511 CCNC(=O)CCc1c(C)oc2c(C=O)c(O)ccc2c1=O
70512 CN(C)CCNC(=O)CCc1c(C)oc2c(C=O)c(O)ccc2c1=O
70513 Cc1oc2c(C=O)c(O)ccc2c(=O)c1CCC(=O)NCCN1CCOCC1
70514 Cn1nc(nc1Sc1nnc(o1)-c1ccccc1)[N+]([O-])=O
70515 COCCNC(=O)Cc1c(C)oc2c(C=O)c(O)ccc2c1=O
70516 Cc1oc2c(C=O)c(O)ccc2c(=O)c1CC(=O)N1CCOCC1
70517 CN1CCN(CC1)C(=O)Cc1c(C)oc2c(C=O)c(O)ccc2c1=O
70518 CCNC(=O)Cc1c(C)oc2c(C=O)c(O)ccc2c1=O
70519 CN(C)CCNC(=O)Cc1c(C)oc2c(C=O)c(O)ccc2c1=O
70520 Cc1oc2c(C=O)c(O)ccc2c(=O)c1CC(=O)NCCN1CCOCC1
70521 COCCNC(=O)Cc1c(C)oc2c(C=O)c(O)cc(OC)c2c1=O
70522 COc1cc(O)c(C=O)c2oc(C)c(CC(=O)N3CCOCC3)c(=O)c12
70523 Cc1ccccc1-n1ncc2c(cc(cc12)[N+]([O-])=O)[N+]([O-])=O
70524 CCNC(=O)Cc1c(C)oc2c(C=O)c(O)cc(OC)c2c1=O
70525 COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
70526 Cn1c(CCC(=O)N2CCOCC2)nc2ccc(O)c(C=O)c12
70527 CCNC(=O)CCc1nc2c(C=O)c(O)ccc2n1C
70528 COCCNC(=O)CCc1nc2c(C=O)c(O)ccc2[nH]1
70529 CC(Nc1cccc2ccccc12)C(=O)NN=Cc1cccc(C)n1
70530 Oc1ccc2[nH]c(CCC(=O)N3CCOCC3)nc2c1C=O
70531 CN1CCC(CC1)NC(=O)CCc1nc2c(C=O)c(O)ccc2[nH]1
70532 CCNC(=O)CCc1nc2c(C=O)c(O)ccc2[nH]1
70533 Oc1ccc2nc(CCC(=O)NCCN3CCOCC3)[nH]c2c1C=O
70534 CN(C)CCNC(=O)CCc1nc2c(C=O)c(O)ccc2[nH]1
70535 COCCNC(=O)CCc1nc2ccc(O)c(C=O)c2n1C
70536 Cn1c(CCC(=O)NCCN2CCOCC2)nc2ccc(O)c(C=O)c12
70537 Cc1cc(C)cc(OC(=O)CS(=O)c2ccc(cc2[N+]([O-])=O)C(F)(F)F)c1
70538 CC=Nc1c(Cl)c(O)c2ccccc2c1O |w:1.0|
70539 CN1CCN(CC1)C(=O)CCc1nc2ccc(O)c(C=O)c2n1C
70540 Cn1c(CCC(O)=O)nc2ccc(O)c(C=O)c12
70541 COCCNC(=O)CCc1nc2c(C=O)c(O)ccc2n1C
70542 CCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC
70543 Cn1c(CCC(=O)N2CCOCC2)nc2c(C=O)c(O)ccc12
70544 Cn1c(CCC(=O)NCCN2CCOCC2)nc2c(C=O)c(O)ccc12
70545 CN1CCN(CC1)C(=O)CCc1nc2c(C=O)c(O)ccc2n1C
70546 CCOC(=O)CCc1nc2c(C=O)c(O)ccc2n1C
70547 COc1cc(OC)cc(c1)-c1nnc(Sc2ccc(C=O)cc2[N+]([O-])=O)o1
70548 Cn1c(CCC(O)=O)nc2c(C=O)c(O)ccc12
70549 CCOC(=O)CCc1nc2c(C=O)c(O)ccc2o1
70550 Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1
70551 OC(=O)CCc1nc2c(C=O)c(O)ccc2o1
70552 COCCNC(=O)CCc1nc2c(C=O)c(O)ccc2o1
70553 Oc1ccc2oc(CCC(=O)N3CCOCC3)nc2c1C=O
70554 CN1CCN(CC1)C(=O)CCc1nc2c(C=O)c(O)ccc2o1
70555 CCNC(=O)CCc1nc2c(C=O)c(O)ccc2o1
70556 CC(C)CCn1c(N)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
70557 Oc1ccc2oc(CCC(=O)NCCN3CCOCC3)nc2c1C=O
70558 CC(C(=O)N1CCOCC1)c1nc2c(C=O)c(O)ccc2o1
70559 Cc1nc2c(C=O)c(O)ccc2o1
70560 Cc1nc2ccc(O)c(C=O)c2o1
70561 Oc1ccc2ocnc2c1C=O
70562 COCCNC(=O)c1cc2c(C=O)c(O)ccc2s1
70563 Oc1ccc2sc(cc2c1C=O)C(=O)N1CCOCC1
70564 CN1CCN(CC1)C(=O)c1cc2c(C=O)c(O)ccc2s1
70565 CCNC(=O)c1cc2c(C=O)c(O)ccc2s1
70566 Oc1ccc2sc(cc2c1C=O)C(=O)NCCN1CCOCC1
70567 CN(C)CCNC(=O)c1cc2c(C=O)c(O)ccc2s1
70568 CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccc(F)cc2)C(=O)c2ccccc2C1=O |c:15|
70569 COC(=O)Cc1cc2c(C=O)c(O)ccc2s1
70570 OC(=O)Cc1cc2c(C=O)c(O)ccc2s1
70571 COCCNC(=O)CCc1cc2c(C=O)c(O)ccc2s1
70572 CCOC(=O)CCc1cc2c(C=O)c(O)ccc2s1
70573 Oc1ccc2sc(CCC(=O)N3CCOCC3)cc2c1C=O
70574 COc1ccc(cc1)N1C(=O)CSC11C(=O)N2c3c1cccc3C(C)=CC2(C)C |c:28|
70575 Cc1cc(C)nc(n1)-n1[nH]c(cc1=O)C(C)(C)C
70576 CCNC(=O)CCc1cc2c(C=O)c(O)ccc2s1
70577 CS(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1Cc2ccccc2C[C@H]1O |r|
70578 CN(C)CCNC(=O)CCc1cc2c(C=O)c(O)ccc2s1
70579 C=CC(=O)NC1CN(C1)c1cnc2[nH]cc(-c3ccccc3)c2c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;$|
70580 COCCNC(=O)c1cc2c(C=O)c(O)ccc2[nH]1
70581 Oc1ccc2[nH]c(cc2c1C=O)C(=O)N1CCOCC1
70582 CCCCNC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12
70583 CN1CCN(CC1)C(=O)c1cc2c(C=O)c(O)ccc2[nH]1
70584 Cc1ccc(cc1)-c1cc(NC(=O)CCl)n(n1)-c1ccccc1
70585 CCNC(=O)c1cc2c(C=O)c(O)ccc2[nH]1
70586 Oc1ccc2[nH]c(cc2c1C=O)C(=O)NCCN1CCOCC1
70587 CN(C)CCNC(=O)c1cc2c(C=O)c(O)ccc2[nH]1
70588 CCOC(=O)c1cc2c(C=O)c(O)ccc2[nH]1
70589 CCOC(=O)c1cc2c(C=O)c(O)ccc2o1
70590 OC(=O)c1cc2c(C=O)c(O)ccc2o1
70591 COCCNC(=O)c1cc2c(C=O)c(O)ccc2o1
70592 Oc1ccc2oc(cc2c1C=O)C(=O)N1CCOCC1
70593 CN1CCN(CC1)C(=O)c1cc2c(C=O)c(O)ccc2o1
70594 O=C(NC1C(NNC1=O)c1ccccc1)c1ccccc1
70595 CCNC(=O)c1cc2c(C=O)c(O)ccc2o1
70596 Oc1ccc2oc(cc2c1C=O)C(=O)NCCN1CCOCC1
70597 CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70598 COc1cc(ccc1OCc1ccc(cc1)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70599 Nc1nc(Nc2cc(Cl)c(-c3ccc(OC4CCNCC4)cc3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70600 COc1cc(ccc1OS(=O)(=O)c1ccccc1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70601 Nc1nc(Nc2cc(Cl)c(-c3ccc(OC4CCN(CCC(F)(F)F)CC4)cc3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70602 CS(=O)(=O)CCN1CCC(CC1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70603 CS(=O)(=O)CCCN1CCC(CC1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70604 CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc23)cc1
70605 COCCN1CCC(CC1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70606 Nc1nc(Nc2ccc(c(Cl)c2)-c2ccccc2)n[nH]1
70607 COC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1O
70608 Nc1nc(Nc2ccc(c(Cl)c2)-c2ccc(F)cc2)n[nH]1
70609 Nc1nc(Nc2ccc(c(Cl)c2)-c2ccccc2F)n[nH]1
70610 Nc1nc(Nc2ccc(c(Cl)c2)-c2ccc(F)c(F)c2)n[nH]1
70611 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Br)cc1
70612 Nc1nc(Nc2ccc(c(Cl)c2)-c2cccc(F)c2)n[nH]1
70613 Nc1nc(Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)n[nH]1
70614 Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O)c1cccc(O)c1
70615 Nc1nc(Nc2ccc(-c3ccccc3F)c(c2)C(F)(F)F)n[nH]1
70616 Nc1nc(Nc2ccc(-c3ccc(F)cc3)c(c2)C(F)(F)F)n[nH]1
70617 Nc1nc(Nc2ccc(-c3ccc(F)c(F)c3)c(c2)C(F)(F)F)n[nH]1
70618 Nc1nc(Nc2ccc(-c3ccccc3Cl)c(c2)C(F)(F)F)n[nH]1
70619 Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccccc1
70620 CCO\C=C1\C(=O)N(C)C(=O)c2cc(OC)ccc12
70621 CS(=O)(=O)c1ccc(cc1)-c1ccc(Nc2n[nH]c(N)n2)cc1Cl
70622 Nc1nc(Nc2ccc(c(Cl)c2)-c2ccccc2Cl)n[nH]1
70623 CSc1ccc(c(F)c1)-c1ccc(Nc2n[nH]c(N)n2)cc1Cl
70624 CS(=O)(=O)c1ccc(c(F)c1)-c1ccc(Nc2n[nH]c(N)n2)cc1Cl
70625 Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cccc(O)c1
70626 [O-][N+](=O)c1cc(cc(c1-n1nnc2ccccc12)[N+]([O-])=O)C#N |(11.73,-1.32,;10.22,-1.63,;9.74,-3.1,;9.19,-.49,;9.67,.98,;8.64,2.12,;7.13,1.8,;6.65,.34,;7.68,-.81,;7.2,-2.27,;8.1,-3.51,;7.2,-4.75,;5.75,-4.28,;4.41,-5.05,;3.08,-4.28,;3.08,-2.74,;4.41,-1.97,;5.75,-2.74,;5.19,.82,;4.87,2.33,;4.04,-.21,;9.12,3.59,;9.6,5.05,)|
70627 COc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
70628 NC(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70629 NC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70630 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)S(=O)(=O)NCCO)n[nH]1
70631 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NCCO)c(c2)C(F)(F)F)n[nH]1
70632 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)CCO)c(c2)C(F)(F)F)n[nH]1
70633 COc1cc(ccc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70634 CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70635 CC(C)(NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(F)(F)F |$;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
70636 COc1ccc(cc1S(=O)(=O)N1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70637 COc1cc(ccc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r,wU:12.12,wD:15.16,$;;;;;;;;;;;HN;;;;;;;;;;;;;HN;;;;;;;;;;;;$,(3.65,2.7,;3.65,1.16,;2.31,.39,;.98,1.15,;-.35,.38,;-.35,-1.15,;.98,-1.92,;2.31,-1.15,;3.65,-1.92,;3.65,-3.46,;2.31,-2.69,;4.98,-1.15,;6.47,-1.55,;7.56,-.46,;9.05,-.86,;9.44,-2.35,;10.93,-2.75,;8.36,-3.44,;6.87,-3.04,;-1.69,1.15,;-1.69,2.69,;-.35,3.46,;-3.02,3.46,;-4.35,2.69,;-5.69,3.46,;-7.02,2.69,;-7.02,1.15,;-8.49,.68,;-9.39,1.92,;-10.93,1.92,;-8.49,3.17,;-4.35,1.15,;-3.02,.38,;-3.02,-1.16,;-4.35,-1.93,;-4.51,-.76,;-1.69,-1.93,)|
70638 COc1ccc(cc1S(=O)(=O)NC1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70639 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NC3CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70640 CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccc(F)cc1
70641 Fc1ccc(Oc2nc(nnc2C(F)(F)F)-c2ccccc2)cc1
70642 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCCC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70643 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(N)(=O)=O)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$|
70644 CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:1|
70645 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NC3CC(O)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$,(-9.04,3.89,;-7.5,3.89,;-6.6,5.14,;-5.13,4.66,;-3.8,5.43,;-2.47,4.66,;-1.13,5.43,;.2,4.66,;1.53,5.43,;.2,3.12,;1.53,2.35,;1.53,.81,;2.87,.04,;4.2,.81,;4.2,2.35,;2.87,3.12,;5.54,.04,;6.87,.81,;5.54,-1.5,;7.31,-.35,;7.71,-1.84,;6.94,-3.18,;8.27,-3.95,;8.67,-5.43,;9.04,-2.61,;-1.13,2.35,;-2.47,3.12,;-1.13,.81,;.2,.04,;-2.47,.04,;-2.62,1.21,;-5.13,3.12,;-6.6,2.65,)|
70646 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N[C@H]3C[C@H](O)C3)c(c2)C(F)(F)F)n[nH]1 |r,wU:22.23,wD:20.20,$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$,(-9.04,3.89,;-7.5,3.89,;-6.6,5.14,;-5.13,4.66,;-3.8,5.43,;-2.47,4.66,;-1.13,5.43,;.2,4.66,;1.53,5.43,;.2,3.12,;1.53,2.35,;1.53,.81,;2.87,.04,;4.2,.81,;4.2,2.35,;2.87,3.12,;5.54,.04,;6.87,.81,;5.54,-1.5,;7.31,-.35,;7.71,-1.84,;6.94,-3.18,;8.27,-3.95,;8.67,-5.43,;9.04,-2.61,;-1.13,2.35,;-2.47,3.12,;-1.13,.81,;.2,.04,;-2.47,.04,;-2.62,1.21,;-5.13,3.12,;-6.6,2.65,)|
70647 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N[C@@H]3C[C@H](O)C3)c(c2)C(F)(F)F)n[nH]1 |r,wU:20.20,22.23,$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$,(-9.04,3.89,;-7.5,3.89,;-6.6,5.14,;-5.13,4.66,;-3.8,5.43,;-2.47,4.66,;-1.13,5.43,;.2,4.66,;1.53,5.43,;.2,3.12,;1.53,2.35,;1.53,.81,;2.87,.04,;4.2,.81,;4.2,2.35,;2.87,3.12,;5.54,.04,;6.87,.81,;5.54,-1.5,;7.31,-.35,;7.71,-1.84,;6.94,-3.18,;8.27,-3.95,;8.67,-5.43,;9.04,-2.61,;-1.13,2.35,;-2.47,3.12,;-1.13,.81,;.2,.04,;-2.47,.04,;-2.62,1.21,;-5.13,3.12,;-6.6,2.65,)|
70648 COc1ccc(cc1S(=O)(=O)NCCO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;HN;;;;;;;;;;;;$|
70649 CC(C)(C)NS(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70650 CN1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(-c3cccs3)c2C1
70651 COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70652 COc1cc(ccc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70653 COc1cc(ccc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;HN;;;;;;;;;;;;$|
70654 COc1ccc(cc1S(N)(=O)=O)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70655 CC(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70656 COc1ccc(cc1S(=O)(=O)N1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70657 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCC(F)(F)CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70658 FC(F)(F)c1nnc(nc1Sc1ccccc1)-c1ccccc1
70659 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N[C@H]3CC[C@H](O)CC3)c(c2)C(F)(F)F)n[nH]1 |r,wU:20.20,wD:23.24,$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;$,(-10.62,2.31,;-9.08,2.31,;-8.18,3.56,;-6.71,3.08,;-5.38,3.85,;-4.05,3.08,;-2.71,3.85,;-1.38,3.08,;-.05,3.85,;-1.38,1.54,;-.05,.77,;-.05,-.77,;1.29,-1.54,;2.62,-.77,;2.62,.77,;1.29,1.54,;3.96,-1.54,;3.96,-3.08,;2.62,-2.31,;5.29,-.77,;6.62,-1.54,;7.96,-.77,;9.29,-1.54,;9.29,-3.08,;10.62,-3.85,;7.96,-3.85,;6.62,-3.08,;-2.71,.77,;-4.05,1.54,;-2.71,-.77,;-1.38,-1.54,;-4.05,-1.54,;-4.2,-.37,;-6.71,1.54,;-8.18,1.06,)|
70660 CN(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70661 CS(=O)(=O)NCc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;HN;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70662 CS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70663 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)C3CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;$|
70664 CNC(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70665 COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r,wU:12.12,wD:15.16,$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$,(3,-3.6,;3.4,-2.11,;2.31,-1.02,;.98,-1.79,;-.35,-1.02,;-.35,.52,;.98,1.29,;2.31,.52,;3.65,1.29,;3.65,2.83,;3.65,-.25,;4.98,.52,;6.47,.92,;6.87,2.4,;8.36,2.8,;9.44,1.71,;10.93,2.11,;9.05,.23,;7.56,-.17,;-1.69,1.29,;-1.69,2.83,;-.35,3.6,;-3.02,3.6,;-4.35,2.83,;-5.69,3.6,;-7.02,2.83,;-7.02,1.29,;-8.49,.81,;-9.39,2.06,;-10.93,2.06,;-8.49,3.3,;-4.35,1.29,;-3.02,.52,;-3.02,-1.02,;-1.69,-1.79,;-4.35,-1.79,;-4.51,-.62,)|
70666 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CC(O)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70667 Nc1nc(Nc2cc(Cl)c(-c3cccc(c3)S(=O)(=O)N3CCCC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70668 CC(C)(C)NS(=O)(=O)c1cc(ccc1OC(F)(F)F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70669 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCC(O)CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70670 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(o1)[N+]([O-])=O)C#N |w:11.13|
70671 CS(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70672 CN(C(C)(C)C)S(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70673 Nc1nc(Nc2cc(Cl)c(-c3cccc(c3)S(N)(=O)=O)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;$|
70674 CN(C)S(=O)(=O)c1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70675 CS(=O)(=O)NCc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70676 CC(C)(C)OC(=O)c1ccc(cc1)-c1c(Cl)cc(N[N]2=CNC(N)=N2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$,c:24,t:20|
70677 Nc1nc(Nc2cc(Cl)c(-c3ccccc3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;$|
70678 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)C(O)=O)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
70679 CCOc1cc(C=c2c(=C)[nH]n(-c3ccccc3)c2=O)ccc1OC(=O)c1ccco1 |w:6.5|
70680 COc1ccc(cc1S(=O)(=O)N1CCCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70681 COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70682 CC(C)(C)OC(=O)N1CC(C)(C1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70683 CCOc1ccc(cc1OC)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70684 COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1COc1ccc(F)cc1
70685 Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1
70686 CC1(CC1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70687 CC1(CNC1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70688 CC(C)(C)OC(=O)N1CCN(C2(CC2)C1)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70689 CN(CCNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F)C(=O)OC(C)(C)C |$;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
70690 CC(C)N1CC(C)(C1)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70692 COc1ccc(cc1S(=O)(=O)NC1(C)CN(C1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70693 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)C1COc2ccccc2O1 |w:14.16|
70694 CNCCNS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;HN;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$|
70695 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CCNCC33CC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70696 COc1ccc(cc1S(=O)(=O)NC1(C)CNC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;HN;;;;;;;HN;;;;;;;;;;;;$|
70697 COc1ccc(cc1S(=O)(=O)NC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;HN;;;;;;;;;$|
70698 CC(C)(C)NS(=O)(=O)c1ccc(cc1OC(F)(F)F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70699 COc1ccc(cc1S(=O)(=O)NC(C)(C)CO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70700 CC(C)(C)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;HN;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70701 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
70702 Cc1ccc(cc1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)CCl
70703 COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70704 Cc1ccc(cc1)C(=O)C1C(C2CSCN2[C@@]11C(=O)Nc2ccc(C)cc12)c1cccc(c1)[N+]([O-])=O
70705 Fc1ccc(cc1)N=C(SCc1cccc(Br)c1)C(C#N)C#N |w:7.7|
70706 COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70707 CC(C)(C)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70708 COC(=O)CN1C(c2ccccc2)c2cc(Cl)ccc2N=C1c1ccc(Cl)cc1 |c:22|
70709 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CC(F)(F)C3)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
70710 COc1ccc(cc1S(=O)(=O)NC1(CC1)C#N)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70711 CC(C)(CO)NS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70712 CC(=NNC(=O)c1ccncc1)c1cc2ccccc2oc1=O |w:2.2|
70713 COc1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(C)=O)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70714 COc1ccc(cc1)-c1cc(=O)n([nH]1)-c1ccc(cc1)[N+]([O-])=O
70715 CC(C)S(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70716 COc1ccc(cc1OC(C)C)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70717 CC(C)(C)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70718 COc1ccc(cc1C(F)(F)F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70719 CCNC1=N[C@H]2[C@@H](O1)S[C@H](CO)[C@@H](O)[C@@H]2O |r,t:3|
70720 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)N3CC(F)C3)c(c2)C(F)(F)F)n[nH]1
70721 COc1ccc(cc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$|
70722 Nc1nc(Nc2cc(Cl)c(-c3ccc(NC(=O)C4CCC(F)(F)CC4)cc3)c(c2)C(F)(F)F)n[nH]1
70723 CC(C)(C)N1CC(C1)OC(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70724 CCCOC(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70725 COc1ccc(cc1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
70726 Cc1cc(C)c(C(CC(=O)c2cccs2)C(C#N)C#N)c(C)c1
70727 Nc1nc(Nc2cc(Cl)c(-c3ccc(NC(=O)CCC4CCOCC4)cc3)c(c2)C(F)(F)F)n[nH]1
70728 COc1ccc(cc1OC)C(CC(=O)c1ccc(C)cc1)C(C#N)C#N
70729 COc1cccc(C(c2c(C)[nH]n(-c3ccccc3)c2=O)c2c(C)[nH]n(-c3ccccc3)c2=O)c1OC
70730 Nc1nc(Nc2cc(Cl)c(-c3ccc(NC(=O)C4CCS(=O)(=O)CC4)cc3)c(c2)C(F)(F)F)n[nH]1
70731 Nc1nc(Nc2cc(Cl)c(-c3ccc(NC(=O)CN4CCS(=O)(=O)CC4)cc3)c(c2)C(F)(F)F)n[nH]1
70732 Nc1nc(Nc2cc(Cl)c(-c3ccc(NC(=O)CN4CCOCC4)cc3)c(c2)C(F)(F)F)n[nH]1
70733 Cc1cc(=O)n([nH]1)-c1ccc(Cl)c(c1)C(O)=O
70734 CS(=O)(=O)Nc1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
70735 Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C(c1c(C)[nH]n(-c2ccc(C)cc2C)c1=O)c1cccc(O)c1
70736 Cc1nn(c(Cl)c1CN(C(=O)CCl)c1cccc2ccccc12)-c1ccccc1
70737 CS(=O)(=O)Nc1cccc(c1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F
70738 Cc1ccc(cc1S(=O)(=O)N1CCCCCC1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
70739 Nc1n[nH]c(Nc2cc(F)c(-c3cccc(F)c3)c(c2)C(F)(F)F)n1
70740 Nc1n[nH]c(Nc2cc(F)c(-c3ccc(F)cc3)c(c2)C(F)(F)F)n1
70741 CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CCl)s1
70742 COc1ccc(cc1)-c1cc(=O)n(CCC#N)[nH]1
70743 Nc1n[nH]c(Nc2cc(F)c(-c3ccc(cc3)C(F)(F)F)c(c2)C(F)(F)F)n1
70744 Cc1ccc(cc1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F
70745 CNC(=O)c1cccc(c1)-c1c(F)cc(Nc2nc(N)n[nH]2)cc1C(F)(F)F
70746 Cc1cc(C(=O)c2ccc(cc2)C(C)(C)C)c(NC(=O)CCl)s1
70747 Nc1n[nH]c(Nc2cc(F)c(-c3ccc4ccccc4c3)c(c2)C(F)(F)F)n1
70748 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)n[nH]1
70749 CC(C)C(=O)Nc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |$;;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
70750 CC(C)C(=O)Nc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70751 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)S(N)(=O)=O)n[nH]1
70752 Nc1n[nH]c(Nc2cc(Cl)c(c(Cl)c2)-c2ccc3NC(=O)Cc3c2)n1
70753 Nc1n[nH]c(Nc2cc(Cl)c(c(Cl)c2)-c2ccc3[nH]c(=O)[nH]c3c2)n1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;$|
70754 Nc1n[nH]c(Nc2cc(Cl)c(c(Cl)c2)-c2ccc3CC(=O)Nc3c2)n1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;$|
70755 Nc1n[nH]c(Nc2cc(Cl)c(c(Cl)c2)-c2ccc3[nH]ncc3c2)n1
70756 Nc1nc(Nc2ccc(cc2)-c2c(Cl)cccc2Cl)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;$|
70757 Nc1n[nH]c(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OC3CCCNC3)cc2)n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
70758 CC(C)(C)OC(=O)N1CC(COc2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2Cl)C1
70759 COc1ccc(cc1)C(N(C(=O)CCl)c1ccc(Cl)cc1)C(=O)NC1CCCCC1
70760 CN(CCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl)C(=O)OC(C)(C)C
70761 ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccc(Cl)c1
70762 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OC3CCNCC3)cc2)n[nH]1
70763 Cc1ccc(cc1C)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
70764 CNCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70765 COc1ccc(cc1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
70766 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCCC3CCCN3)cc2)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
70767 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OC[C@@H]3CCCN3)cc2)n[nH]1 |r|
70768 CC(C)(C)OC(=O)N1CCCC1CCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70769 CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r|
70770 CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70771 CN(C)CCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70772 CCOC(=O)c1ccc(cc1)N1C(c2c(n[nH]c2C1=O)-c1ccco1)c1ccc(cc1)[N+]([O-])=O
70773 Cc1[n-]n(-c2ccccc2)c(=O)c1[CH+]c1ccc(Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)cc1
70774 Cc1ccc(cc1C)N(CCC#N)C(=O)CCl
70775 Nc1nc(Nc2cc(Cl)c(-c3ccc(OC[C@@H]4CCCN4)cc3)c(c2)C(F)(F)F)n[nH]1 |r|
70776 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(O[C@H]3CCNC3)cc2)n[nH]1 |r|
70777 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OC[C@H]3CCCN3)cc2)n[nH]1 |r|
70778 CC(C)(C)OC(=O)N1CC[C@@H](C1)Oc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |r|
70779 CC1(C)OCC(COc2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2Cl)O1
70780 CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |r|
70781 O=C1c2ccccc2C(=O)c2cc(ccc12)S(=O)(=O)Nc1ccccc1
70782 Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
70783 CC(C)(C)OC(=O)COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70784 Clc1cccc(c1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
70785 Brc1ccc(cc1)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1
70786 Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc(c1)[N+]([O-])=O
70787 CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |r|
70788 COCCOc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl
70789 Nc1nc(Nc2cc(Cl)c(-c3ccc(OC[C@H]4CCCN4)cc3)c(c2)C(F)(F)F)n[nH]1 |r|
70790 CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1Cl |r|
70791 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCCN3CCOCC3)cc2)n[nH]1
70792 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCC(O)CO)cc2)n[nH]1
70793 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCCCN3CCOCC3)cc2)n[nH]1
70794 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCc3ccccn3)cc2)n[nH]1
70795 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(OCC(O)=O)cc2)n[nH]1
70796 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(F)cc2)n[nH]1
70797 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2F)n[nH]1 |(-5.72,1.42,;-4.95,.09,;-3.48,-.39,;-3.48,-1.93,;-2.15,-2.7,;-.82,-1.93,;-.82,-.39,;.52,.38,;.52,1.92,;1.85,-.39,;1.85,-1.93,;3.19,-2.7,;.52,-2.7,;3.19,.38,;3.19,1.93,;4.52,2.7,;5.85,1.92,;5.85,.39,;4.52,-.39,;4.52,-1.92,;-4.95,-2.4,;-5.85,-1.16,)|
70798 CS(=O)(=O)c1ccc(cc1)-c1ccc(Nc2n[nH]c(N)n2)cc1S(F)(F)(F)(F)F
70799 Nc1nc(Nc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)N2CCCS2(=O)=O)n[nH]1 |$;;;;;;;;;;;;;;;;;;;;;;;;;;;HN$|
70800 CS(=O)(=O)Nc1cccc(c1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70801 CNC(=O)c1ccc(cc1F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70802 CNC(=O)c1cc(ccc1F)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F
70803 Nc1nc(Nc2cc(Cl)c(-c3ccc(C(=O)NCCO)c(F)c3)c(c2)C(F)(F)F)n[nH]1
70804 Nc1nc(Nc2cc(Cl)c(-c3ccc(F)c(c3)C(=O)NCCO)c(c2)C(F)(F)F)n[nH]1 |$;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
70805 Nc1nc(Nc2cc(Cl)c(-c3ccc(cc3)S(=O)(=O)NC3COC3)c(c2)C(F)(F)F)n[nH]1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
70806 N=c1c2C(c3ccccc3)c3c(Oc2ncn1Cc1ccco1)ccc1ccccc31
70807 Fc1cc(O[C@@H]2CCCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70808 Cc1ccc(cc1)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc(OC(=O)c2ccncc2)c2ccccc12
70809 Fc1cc(O[C@H]2CCCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70810 Fc1cc(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70811 CC(=O)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
70812 Fc1cc(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70813 CC1CCN(CC1)C(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
70814 COC(=O)c1ccc(C(=O)OC)c(c1)-n1c(=O)c2ccccc2c2ccccc2c1=O |(7.69,6.93,;8.56,5.66,;7.89,4.27,;6.36,4.16,;8.76,3,;10.29,3.12,;11.16,1.84,;10.49,.46,;11.98,.04,;12.36,-1.45,;13.08,1.11,;14.56,.7,;8.96,.34,;8.09,1.61,;8.29,-1.05,;9.25,-2.25,;10.62,-2.95,;8.91,-3.75,;10.25,-4.64,;10.14,-6.24,;8.69,-6.93,;7.38,-6.02,;7.52,-4.42,;6.13,-3.75,;4.97,-4.86,;3.44,-4.4,;3.08,-2.84,;4.26,-1.76,;5.79,-2.25,;6.75,-1.05,;6.08,.34,)|
70815 CCOC(=O)C1CCN(CC1)C(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
70816 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(Cl)c1 |r|
70817 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(F)cc1
70818 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)c(Cl)c1 |r|
70819 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(F)c1 |r|
70820 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)c(F)c1 |r|
70821 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1F |r|
70822 OC(COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1
70823 Fc1cc(O[C@@H]2CCCN(CC3CCCCC3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70824 Cn1nc(cc1CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)-c1ccccc1 |r|
70825 Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)c(C)c1
70826 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccnnc3)C2)cc1F |r|
70827 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc4CNCc34)C2)cc1F |r|
70828 Fc1cc(O[C@@H]2CCCN(C2)C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70829 Fc1cc(O[C@@H]2CCCN(C2)C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70830 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1F |r|
70831 Fc1cc(O[C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70832 Fc1cc(O[C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70833 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1F |r|
70834 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)cc1 |r|
70835 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)cc1 |r|
70836 Fc1cc(O[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70837 Cc1[nH]nc2OC(=N)C(C#N)C(c3cc(Br)cs3)c12
70838 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1F |r|
70839 Fc1cc(O[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70840 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)cc1F |r|
70841 [H][C@]12Cc3cc(OC)c(OC)cc3-c3c4OCOc4cc(CCN1C)c23
70842 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c1-[#8]
70843 COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
70844 Fc1ccc(NC2=C(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
70845 Fc1cc(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70846 Fc1cc(O[C@@H]2CCCN(Cc3cccc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70847 ClCC(=O)N1C(COc2ccccc12)c1ccccc1
70848 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1F |r|
70849 Fc1cc(O[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70850 CCc1cccc(CC)c1NC(=O)C(=C\c1ccccc1C(F)(F)F)\C#N
70851 Fc1cc(O[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70852 Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)cc1 |r|
70853 Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)cc1 |r|
70854 Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1C
70855 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3C(F)(F)F)C2)cc1F |r|
70856 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)c(c1)C(F)(F)F |r|
70857 Fc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)c(c1)C(F)(F)F |r|
70858 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
70859 Fc1ccc(cc1)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
70860 Fc1ccc(cc1)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
70861 CC(CCc1ccccc1)NC(=O)COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1O
70862 COc1ccc(cc1)-n1c2nc(C)oc(=N)c2c2nc3ccccc3nc12
70863 Fc1ccc(N2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)c(Cl)c1 |r|
70864 Fc1cc(O[C@@H]2CCCN(C2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70865 Fc1cc(O[C@@H]2CCCN(C2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70866 Fc1cc(O[C@@H]2CCCN(C2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70867 Fc1cc(O[C@@H]2CCCN(C2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70868 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)c2cc(Cl)cc(Cl)c2)cc1F |r|
70869 [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1O |TLB:9:7:6:3.2|
70870 Fc1cc(O[C@H]2CCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70871 Fc1cc(O[C@@H]2CCN(Cc3ccccc3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70872 Fc1cc(OCC2CC3CCC(C2)N3Cc2ccccc2Cl)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
70873 Fc1cc(OCC2CC3CCC(C2)N3Cc2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
70874 Fc1cc(OCC2CC3CCC(C2)N3C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
70875 Oc1cccc(\C=C(\C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3s2)c1
70876 C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
70878 C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
70879 Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)C(O)=O
70880 Fc1cc(CN2CCC[C@@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70881 Fc1cc(CN2CCC[C@@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70882 Fc1cc(CN2CCC[C@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
70883 Fc1cc(CN2CCC[C@H](C2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
70884 Fc1cc(CN2CCC(CC2)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
70885 CCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O |r,t:3|
70886 CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70887 C[Si](C)(C)CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70888 COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70889 FC(F)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70890 Fc1cc(OCC2CN(C2)C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)CCC(F)(F)F)C1CC1
70891 Fc1cc(OCC2CN(C2)C(c2ccccc2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)CC1CC1)C1CC1
70892 CC(CNc1ccccc1O)C(O)=O
70893 CCCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70894 Cc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1
70895 Oc1c(Cl)c(N=CC=C)c(O)c2ccccc12 |w:5.4|
70896 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CN(Cc3ccccc3)C2)cc1F
70897 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70898 COC(=O)[C@@H]1C[C@]2(OC(=O)c3ccccc3)C=CC(=O)C[C@@H]2N1C(=O)OCc1ccccc1 |c:17|
70899 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1ccccc1
70900 Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1cccc(Cl)c1)c1c(C)[nH][nH]c1=O
70901 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)C(c2ccccc2)c2ccccc2)cc1F
70902 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1ccccc1
70903 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CN(C1)C(c1ccccc1)c1ccccc1
70904 CC(C)(C)OC(=O)N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1
70905 COc1ccc(O)c(c1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70906 [O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2cccnc2)cc1
70907 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3cccc(F)c3)C2)cc1F
70908 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccccc3)C2)cc1F
70909 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3cc(F)cc(Cl)c3)C2)cc1F
70910 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccc(c(F)c3)C(F)(F)F)C2)cc1F
70911 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(Cc2cc(Cl)cc(Cl)c2)C1
70912 CC(C)(C)OC(=O)N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(C)(=O)=O)CC1
70913 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2ccccc2)cc1F
70914 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1F
70915 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2cccnc2)cc1F |r|
70916 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2cccnc2)cc1F |r|
70917 CC(C)Oc1ncc(CN2CC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)C2)cc1Cl
70918 C[C@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
70919 C[C@@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
70920 CC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(F)cc(F)c1
70921 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3)CC2)cc1F
70922 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cccc(F)c3)CC2)cc1F
70923 CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(F)c1
70924 COCC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
70925 CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
70926 COCC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1
70927 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cccc(Cl)c3)CC2)cc1F
70928 COC(=O)c1ccc(cc1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70929 Cc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1
70930 COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1F
70931 COC1=CC(=Cc2c([nH]n(-c3ccc(NC(C)=O)cc3)c2=O)-c2ccccc2)C=CC1=O |w:5.5,c:31,t:2|
70932 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)cc1F |r|
70933 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccc(cc2)S(C)(=O)=O)cc1F |r|
70934 CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
70935 CC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1
70936 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
70937 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
70938 S=C(Nc1ccc2nsnc2c1)N1CCCCCC1
70939 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(C)c2cc(Cl)cc(Cl)c2)cc1F
70940 CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1
70941 COC(=O)c1ccccc1-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
70942 CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1
70943 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1F
70944 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(F)cc3Cl)CC2)cc1F
70945 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1F
70946 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(ccc2C(F)(F)F)C(F)(F)F)CC1
70947 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2cccc(c2)C#N)cc1F |r|
70948 COC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Cl)cc1 |t:4|
70949 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2cccc(c2)C#N)cc1F |r|
70950 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccc(cc2)C#N)cc1F |r|
70951 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc2ccccc2c1
70952 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccc(cc2)C#N)cc1F |r|
70953 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc1F |r|
70954 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc1F |r|
70955 O=c1cc([nH][nH]1)-c1ccc(cc1)C1CCCCC1
70956 CC(C)Oc1ncc(cc1Cl)[C@@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
70957 CC(C)Oc1ncc(cc1Cl)[C@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccccc1 |r|
70958 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC(F)(F)F)CC2)cc1F
70959 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CCC(F)(F)F)CC2)cc1F
70960 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccccn2)cc1F |r|
70961 COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c(cc1OC)[N+]([O-])=O
70962 Oc1c[c+]([n-]n1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
70963 Oc1cc2c(coc2c2ccccc12)C(=O)c1ccco1
70964 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccccn2)cc1F |r|
70965 C[C@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
70966 C[C@@H](N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
70967 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)ccc2C(F)(F)F)CC1
70968 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)cc(Cl)c2)CC1
70969 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccccc2F)cc1F |r|
70970 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccccc2F)cc1F |r|
70971 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1F
70972 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3F)CC2)cc1F
70973 CC(C)Oc1ncc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1Cl
70974 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)S(=O)(=O)c2ccccc2)cc1F
70975 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2ccc(F)cc2C(F)(F)F)CC1
70976 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2ccc(cc2)C(F)(F)F)cc1F
70977 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F
70978 Cc1cc(=O)n([nH]1)-c1ccc(cc1C)S(O)(=O)=O
70979 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(Cc3ccc(Cl)c(F)c3)C2)cc1F
70980 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F
70981 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F
70982 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F
70983 Cc1cc(=O)n([nH]1)C1CCS(=O)(=O)C1
70984 Nc1ccc(cc1)N(CCO)CCO
70985 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(c3)C(F)(F)F)CC2)cc1F
70986 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1F
70987 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
70988 Nc1ccc(N2CCCCC2)c2nonc12
70989 Nc1ccc(N2CCOCC2)c2nonc12
70990 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(Cl)cc(c2)C(F)(F)F)CC1
70991 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2cc(cc(Cl)c2F)C(F)(F)F)CC1
70992 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F |r|
70993 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F |r|
70994 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1F |r|
70995 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccc(F)cc2)cc1F |r|
70997 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1F
70998 CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1
70999 CCCCNC1=CC(=O)C(=O)c2ccccc12 |t:5|
71000 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3C#N)CC2)cc1F
71001 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccccc2Cl)cc1F |r|
71002 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccccc2Cl)cc1F |r|
71003 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@@H](c2ccccc2)c2ccncc2)cc1F |r|
71004 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)[C@H](c2ccccc2)c2ccncc2)cc1F |r|
71005 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)C(c2ccccc2)c2cccc(F)c2)cc1F
71006 CCC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
71007 CC(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1
71008 CC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1
71009 ClCC(=O)c1ccc2N(CCc2c1)C(=O)C1CCCCC1
71010 CCC(N1CC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1
71011 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1F
71012 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1F
71013 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(F)cc3)CC2)cc1F
71014 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71015 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71016 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71017 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71018 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71019 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71020 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
71021 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
71022 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(c1)C(F)(F)F |r|
71023 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(c1)C(F)(F)F |r|
71024 COC[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71025 COC[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71026 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)cc1F
71027 Fc1cc(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71028 Fc1cc(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
71029 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C2(COC2)c2cc(Cl)cc(Cl)c2)cc1F
71030 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C1(COC1)c1cc(Cl)cc(Cl)c1
71031 CC(C)N(C(C)C)C(=O)CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71032 CC(C)N(C(C)C)C(=O)CN1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1
71033 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 |r|
71034 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(Cl)c1 |r|
71035 COc1ccc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)cc1Cl
71036 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
71037 Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
71038 C[C@@H](N1CC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
71039 C[C@H](N1CC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
71040 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(c1)C(F)(F)F |r|
71041 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)c(c1)C(F)(F)F |r|
71042 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(F)c(c3)C(F)(F)F)CC2)cc1F
71043 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cnc(OCC(F)(F)F)c(Cl)c3)CC2)cc1F
71044 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccccc3Cl)CC2)cc1F
71045 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC(F)(F)C(F)F)CC2)cc1F
71046 Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71047 Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
71048 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2cccc(Cl)c2)cc1F
71049 Fc1cc(OCC2CCN(CC2)C(=O)c2cccc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71050 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2ccccc2)cc1F
71051 Fc1cc(OCC2CCN(CC2)C(=O)c2ccccc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71052 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H]2[C@@H](O)Cc3ccccc23)cc1F |r|
71053 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H]2[C@H](O)Cc3ccccc23)cc1F |r|
71054 COC[C@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71055 COC[C@@](C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71056 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@](C)(COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
71057 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@](C)(COC)c2cc(Cl)cc(Cl)c2)cc1F |r|
71058 Fc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)cc2Cl)cc1
71059 FC(F)(F)c1cnc(c(Cl)c1)S(=O)(=O)c1ccccc1
71060 COC(C)(C)[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71061 COC(C)(C)[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71062 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
71063 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](c2cc(Cl)cc(Cl)c2)C(C)(C)OC)cc1F |r|
71064 CC(C)(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1
71065 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(C)(C)c2cc(Cl)cc(Cl)c2)cc1F
71066 CCCCCCCCc1c(O)nc([nH]c1=O)-n1[nH]c(C)c(CCO)c1=O
71067 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71068 COc1cccc(c1)-n1nc(C#N)c(Cl)cc1=O
71069 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71070 CCC(=O)N(C(C)C)c1c(O)c2ccccc2c(O)c1N=C
71071 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1F
71072 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
71073 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
71074 O=c1[nH]cc(NCCc2ccccc2)c(=O)[nH]1
71075 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(c3)C(F)(F)F)CC2)cc1F
71076 CS\C([CH-][N+]([O-])=O)=[NH+]/c1cccc2c1C(C)CC2(C)C
71078 Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ccccc12 |w:5.4|
71079 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
71080 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
71081 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(c(Cl)c3)C(F)(F)F)CC2)cc1F
71082 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F |r|
71083 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccccc1 |r|
71084 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccccc1 |r|
71085 Cc1nnc(N=NCc2ccccc2O)n1N |w:5.4|
71086 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C(F)F)c2cc(Cl)cc(Cl)c2)cc1F |r|
71087 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C(F)F)c2cc(Cl)cc(Cl)c2)cc1F |r|
71088 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C(F)F)c2cc(Cl)cc(Cl)c2)cc1F |r|
71089 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C(F)F)c2cc(Cl)cc(Cl)c2)cc1F |r|
71090 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(c3)C(F)(F)F)CC2)cc1F
71091 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)c(c3)C(F)(F)F)CC2)cc1F
71092 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(Cl)c1 |r|
71093 O=C(NN=C1CC(=NNC(=O)c2ccncc2)c2ccccc12)c1ccncc1
71094 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(F)cc(Cl)c1 |r|
71095 CC(CCc1ccccc1)NC(=O)COC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O
71096 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1F
71097 Fc1cc(OCC2CCN(CC2)C(=O)c2ccc(Cl)c(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71098 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3)C(=O)C2)cc1F |r|
71099 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCN(Cc3cc(Cl)cc(Cl)c3)C(=O)C2)cc1F |r|
71100 CC(C)(C)C1CCc2sc(cc2C1)C(=O)NNC(=O)CCl
71101 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1F |r|
71102 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1F |r|
71103 CCn1c(c(C(=O)CCl)c2ccccc12)-c1ccccc1
71104 COc1ccc(cc1)-n1c(C)cc(C(=O)CCl)c1C
71105 COc1ccc(cc1)-c1csc(CCn2[nH]c(C)cc2=O)n1
71106 COc1cccc(NC(=S)[C-](C(=O)c2ccc(OC(F)F)cc2)[n+]2ccccc2)c1
71107 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
71108 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
71109 CC(C)N(c1ccccc1)c1ccc(NC(=O)CCl)cc1
71110 Cc1c(C)n(Cc2ccccc2)c(NC(=O)CCl)c1C#N
71111 CC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71112 CC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71113 CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)OCc1nnc(o1)-c1ccccc1
71114 Cl[#6]-[#6](=O)-[#7]\[#7]=[#6](\c1ccccc1)-c1ccccc1
71115 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3F)CC2)cc1F
71116 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)cc1Cl |r|
71117 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)cc1Cl |r|
71118 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C)c2ccc(F)cc2Cl)cc1F |r|
71119 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C)c2ccc(F)cc2Cl)cc1F |r|
71120 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(c(F)c3)C(F)(F)F)CC2)cc1F
71121 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1 |r|
71122 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(OC(F)(F)F)cc1 |r|
71123 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(F)c1 |r|
71124 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(F)c1 |r|
71125 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC3(CC3)C(F)(F)F)CC2)cc1F
71126 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)cc1F
71127 ClCC(=O)Nc1cccc(Oc2ccccc2)c1
71128 Fc1cc(OCC2CCN(CC2)C(=O)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71129 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)cc1F
71130 COc1cc(\C=C(/C#N)C(=O)Nc2ccc3OCCOc3c2)ccc1O
71131 Fc1cc(OCC2CCN(CC2)C(=O)c2ccccc2C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71132 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)cc1F
71133 Cc1cc(=O)n([nH]1)-c1cccc(Cl)c1
71134 CC(=C)CNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:8.7|
71135 Fc1cc(OCC2CCN(CC2)C(=O)c2ccc(Cl)cc2Cl)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71136 Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71137 Fc1cc(OCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
71138 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F
71139 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1 |r|
71140 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cccc(Cl)c1 |r|
71141 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
71142 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1 |r|
71143 CC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]C1=C(C(=O)c2ccccc2C1=O)n1cc[n+](c1)-c1ccccn1 |t:15|
71144 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](CO)c2cc(Cl)cc(Cl)c2)cc1F |r|
71145 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](CO)c2cc(Cl)cc(Cl)c2)cc1F |r|
71146 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)cc(Cl)c3)CC2)cc1F
71147 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71148 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71149 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71150 Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:6|
71151 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71152 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
71153 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
71154 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71155 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
71156 CC(C)[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|
71157 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
71158 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
71159 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
71160 [#8-]-[#7+](=O)\[#6](=[#6](\Cl)-[#6-](Cl)Cl)\[#6](\[#16]-c1ccccc1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1
71161 C[C@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
71162 Cc1ccc(NC(=O)COc2cccc(\C=C3/SC(=S)N(CCC(O)=O)C3=O)c2)cc1Cl
71163 C[C@@H](N1CCC(C)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
71164 COC[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
71165 COC[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(Cl)cc1Cl |r|
71166 CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
71167 CC(=O)n1cc(N(C(=O)CCl)c2ccc(Cl)cc2)c2ccccc12
71168 CC(=O)n1cc(N(C(=O)CCl)c2ccccc2)c2ccccc12
71169 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](C)c2ccc(Cl)cc2Cl)cc1F |r|
71170 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](C)c2ccc(Cl)cc2Cl)cc1F |r|
71171 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@H](COC)c2ccc(Cl)cc2Cl)cc1F |r|
71172 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)[C@@H](COC)c2ccc(Cl)cc2Cl)cc1F |r|
71173 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)[C@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
71174 Cn1c2ccccc2c(c([N+]([O-])=O)c1=O)-n1cnc2ccccc12 |(7.08,4.83,;7.08,3.29,;8.41,2.52,;9.79,3.35,;11.19,2.56,;11.19,.95,;9.79,.16,;8.41,.98,;7.08,.21,;5.75,.98,;4.41,.21,;3.08,.98,;4.41,-1.33,;5.75,2.52,;4.41,3.29,;7.08,-1.33,;5.84,-2.22,;6.31,-3.68,;7.84,-3.69,;8.87,-4.83,;10.38,-4.52,;10.86,-3.05,;9.83,-1.91,;8.32,-2.22,)|
71175 C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccco1
71176 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)[C@@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
71177 Fc1cc(OCC2CCN(CC2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71178 OC(=O)c1ccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)cc1 |t:8|
71179 Fc1cc(OCC2CCN(CC2)c2ccccc2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
71180 NC1=C(Br)C(=O)c2ccccc2C1=O |c:1|
71181 ClCCCC1C(=O)C(=O)c2ccccc2C1=O
71182 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cc(Cl)cc(Cl)c2)cc1F
71183 CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(=O)CCl)C(=O)N(C)C1=O |t:5|
71184 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2ccccc2Cl)cc1F
71185 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cccc(Cl)c2)cc1F
71186 C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1Cl |r|
71187 OC(=O)c1ccccc1[As](O)(O)=O
71188 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
71189 C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1Cl |r|
71190 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)[C@H](c2ccc(F)cc2Cl)C(F)(F)F)cc1F |r|
71191 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)[C@@H](c2ccc(F)cc2Cl)C(F)(F)F)cc1F |r|
71192 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1F
71193 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(F)cc2Cl)C(F)(F)F)cc1F
71194 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(F)c(Cl)c2)C(F)(F)F)cc1F
71195 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
71196 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
71197 COc1c(O)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
71198 Fc1cc(OCCC2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71199 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)C2)cc1F |r|
71200 CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
71201 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)CC2)cc1F
71202 COc1ccc(cc1)-c1cc(nc(Cl)n1)C#N
71203 O=c1n(CCc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12
71204 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)CC2)cc1F
71205 NS(=O)(=O)c1ccc(NN=C2C=CC(=O)NC2=O)cc1 |w:9.8,c:11|
71206 Fc1cc(OCC2CCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71207 CN(C)c1ccc(cc1Br)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
71208 C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
71209 C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(Cl)c(n1)C1CC1 |r|
71210 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)C2)cc1F |r|
71211 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
71212 COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)cc1F |r|
71213 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)S(C)(=O)=O)cc1F |r|
71214 C[C@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1 |r|
71215 C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1 |r|
71216 C[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1ccc(F)cc1 |r|
71217 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(F)ccc3C(F)(F)F)C2)cc1F |r|
71218 [#6]-[#8]-c1c[c-](\[#6]=[#6]2/[#6](=O)-[#7](-[#7]/[#6]/2=[#7+]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)-c2ccc(cc2)-[#7+](-[#8-])=O)ccc1=O
71219 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(c3)C(F)(F)F)C2)cc1F |r|
71220 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CC3(C2)CN(Cc2ccc(F)cc2Cl)C3)cc1F
71221 FC1CN(C1)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CC3(C2)CN(Cc2ccc(F)cc2Cl)C3)cc1F
71222 C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
71223 [H][C@]12CN(Cc3cccnc3)[C@H](c3ccccc3)C11CC(C1)(C2c1ccccc1)c1cccnc1 |wU:1.0,11.12,(8.28,.97,;9.34,.2,;8.11,-.7,;8.58,-2.16,;7.67,-3.4,;6.14,-3.24,;5.24,-4.49,;3.71,-4.33,;3.08,-2.92,;3.99,-1.67,;5.52,-1.84,;10.11,-2.16,;11.01,-3.41,;10.39,-4.81,;11.29,-6.06,;12.82,-5.9,;13.45,-4.5,;12.55,-3.25,;10.59,-.7,;10.54,.62,;11.36,1.67,;11.83,.2,;9.82,1.67,;8.91,2.91,;9.54,4.32,;8.63,5.56,;7.1,5.4,;6.48,4,;7.38,2.75,;11.83,3.13,;13.34,3.45,;13.82,4.92,;12.79,6.06,;11.28,5.74,;10.8,4.27,)|
71224 C[C@@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
71225 COC(=O)CCCC1=CC2=C(C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCCCO)c1ccccc1 |c:27,t:7,9|
71226 C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71227 Cc1[nH]nc2OC(=N)C(C#N)C(c3c[nH]c4ccccc34)c12
71228 C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)N1CCC1 |r|
71229 C[C@H]1CC[C@H](CN1Cc1ccc(F)cc1Cl)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
71230 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(CC3(CCCC3)C(F)(F)F)C2)cc1F |r|
71231 Cc1c(CN=Nc2nc3ccccc3[nH]2)c2ccccc2n1C |w:4.3|
71232 OC(=O)c1cccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)c1 |t:9|
71233 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(CC3(CCC3)C(F)(F)F)C2)cc1F |r|
71234 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC3(CCCC3)C(F)(F)F)CC2)cc1F
71235 C[C@H]1[C@H](CCCN1Cc1cc(Cl)cc(Cl)c1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71236 C[C@H]1[C@@H](CCCN1Cc1cc(Cl)cc(Cl)c1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71237 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
71238 Fc1ccc(CN2CCC[C@@H](COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)C2)c(Cl)c1 |r|
71239 CSC(=Nc1cc(Cl)ccc1Cl)C(C#N)C(=O)c1ccco1 |w:3.3|
71240 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
71241 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
71242 CC(C)(C)c1csc(Sc2ccc(cn2)[N+]([O-])=O)n1
71243 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
71244 C[C@@H](N1CCC[C@H](COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
71245 FC(F)(F)c1ccn(n1)-c1ccc(cc1)N=NC(C#N)C#N |w:15.16|
71246 OC1(NC(=O)Cc2ccccc2)C(=O)c2ccccc2C1=O
71247 C[C@H](N1CCC[C@H](COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1 |r|
71248 COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1ccc(cc1)C(C)(C)C
71249 Fc1ccc(CN2CCC[C@H](COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)C2)c(Cl)c1 |r|
71250 Fc1ccc(CN2CCC[C@H](COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)C2)c(Cl)c1 |r|
71251 CN(C)C=Nc1nnc(Sc2cc(C)nc3ccccc23)s1
71252 C[C@@H]1CC[C@@H](COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN1Cc1cc(Cl)cc(Cl)c1 |r|
71253 C[C@H](N1C[C@H](COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC[C@H]1C)c1cc(Cl)cc(Cl)c1 |r|
71254 COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1ccc(Cl)cc1
71255 C[C@@H](N1C[C@H](COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC[C@H]1C)c1cc(Cl)cc(Cl)c1 |r|
71256 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N(C2)[C@@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
71257 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H](C)N(C2)[C@H](C)c2cc(Cl)cc(Cl)c2)cc1F |r|
71258 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)cc1F
71259 Fc1cc(OCC2(F)CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71260 CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(cc3)N(C)C)c(OC)cc(OC)c12
71261 COc1ccc(Br)cc1[C@H]1[C@H]2C=CC[C@@H](C)[C@@H]2C(=O)N1Cc1ccccc1 |c:12|
71262 COC(=O)c1nc(c(N)c(c1C)-c1ccc(OC)c(OC)c1O)-c1ccc2C(=O)C(OC)=C(N)C(=O)c2n1 |t:33,(14.65,-5.77,;14.66,-4.23,;13.33,-3.45,;11.99,-4.22,;13.34,-1.91,;12,-1.14,;12.01,.4,;13.35,1.17,;13.35,2.71,;14.68,.39,;14.67,-1.15,;16,-1.92,;16.01,1.16,;17.35,.38,;18.68,1.15,;18.69,2.69,;20.02,3.45,;21.36,2.68,;17.36,3.46,;17.36,5,;18.7,5.77,;16.02,2.7,;15.26,4.03,;10.68,1.18,;10.68,2.78,;9.28,3.57,;7.91,2.75,;6.57,3.52,;6.57,5.06,;5.24,2.75,;3.91,3.52,;3.91,5.06,;5.24,1.21,;3.91,.44,;6.57,.44,;6.57,-1.1,;7.91,1.21,;9.28,.39,)|
71263 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)cc1F
71264 C[C@H](N1CCC(F)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
71265 C[C@H](N1CCC(F)(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(c1)C(F)(F)F |r|
71266 C[C@@H](N1CCC(F)(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71267 O=c1[nH]c(Nc2ccccn2)cc2ccccc12
71268 COc1ccccc1Nc1cc2cc(Br)ccc2c(=O)[nH]1
71269 COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
71270 O=c1[nH]c(cc2ccccc12)N1CCOCC1
71271 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2cccc(Cl)c2)c2cccc(Cl)c2)cc1F
71272 CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
71273 Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
71274 CC(=O)c1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
71275 Cc1[nH][nH]c(=O)c1Cc1c(Cl)cccc1Cl
71276 C[C@@H](N1[C@H]2CC[C@@H]1C[C@@H](COc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)C2)c1cc(Cl)cc(Cl)c1 |r,THB:1:2:7.8.28:4.5|
71277 Cc1nc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)cs1
71278 CC(C)c1nc(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)cs1
71279 CC(C)Nc1ccc(F)cc1CN1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
71280 Cn1nc(c(CN2CCC(COc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)c1Cl)C(F)(F)F
71281 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(CF)c2cc(Cl)cc(Cl)c2)cc1F
71282 C[C@H](N1CCC(COc2cc(F)c(cc2C)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71283 CS(=O)(=O)c1nc(nn1CCCc1ccccc1)[N+]([O-])=O
71284 C[C@H](N1CCC(COc2cc(F)c(cc2C)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71285 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)cc1F
71286 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1F
71287 N#Cc1ncc(Cc2ccccc2)nc1C#N
71288 Cc1c(cnc(Sc2ccccc2)c1[N+]([O-])=O)[N+]([O-])=O
71289 Fc1ccc(cc1)C(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1ccc(F)cc1
71290 Fc1cc(OCC2CCN(Cc3ncccc3C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71291 Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
71292 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ncccc3C(F)(F)F)CC2)cc1F
71293 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1F
71294 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)c(Br)cc2F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71295 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc(Br)c(F)c2)cc1F
71296 Fc1cc(ccc1Br)S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
71297 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1F
71298 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccccc2C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71299 ClCC(=O)Nc1sccc1C(=O)c1ccccc1
71300 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F
71301 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(cc2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71302 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)cc1F
71303 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71304 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)C2CCOCC2)cc1F
71305 Fc1cc(OCC2CCN(CC2)S(=O)(=O)C2CCOCC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71306 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1F
71307 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71308 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1F
71309 Fc1cc(cc(F)c1F)S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
71310 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc(F)c(Cl)c2)cc1F
71311 Fc1ccc(cc1Cl)S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
71312 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)cc1F
71313 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71314 Cc1cc(F)ccc1S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1
71315 Cc1cc(F)ccc1S(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
71316 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)cc1F
71317 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71318 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)c2ccc(Br)c(Cl)c2)cc1F
71319 Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2ccc(Br)c(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71320 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(=O)(=O)C2COC2)cc1F
71321 Fc1cc(OCC2CCN(CC2)S(=O)(=O)C2COC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71322 CS(=O)(=O)N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1
71323 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)S(C)(=O)=O)cc1F
71324 Fc1cc(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(cc(Cl)c2F)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,THB:14:13:12.6.7:9.10|
71325 Fc1cc(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(ccc2Cl)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,THB:14:13:12.6.7:9.10|
71326 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(cc(Cl)c2F)C(F)(F)F)cc1F |r,THB:24:23:22.16.17:19.20|
71327 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cc(ccc2Cl)C(F)(F)F)cc1F |r,THB:24:23:22.16.17:19.20|
71328 Fc1cc(OCC2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71329 Fc1cc(OCC2CCN(CC2)C(c2cccc(Cl)c2)c2cccc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71330 C[C@H](N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71331 CC(=O)Oc1c(Br)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
71332 C[C@H](N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71333 C[C@@H](N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(C)(=O)=O)CC1)c1cc(Cl)cc(Cl)c1 |r|
71334 C[C@@H](N1CCC(COc2cc(F)c(cc2Cl)C(=O)NS(=O)(=O)C2CC2)CC1)c1cc(Cl)cc(Cl)c1 |r|
71335 CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F
71336 Fc1cc(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1
71337 Fc1cc(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)c(Cl)cc1C(=O)NS(=O)(=O)N1CCC1
71338 Fc1cc(OCC2CCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C#N
71339 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3nc(no3)-c3ccccc3Cl)CC2)cc1F
71340 Fc1cc(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71341 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccccc2)c2cc(Cl)cc(Cl)c2)cc1F
71342 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)cc3Cl)CC2)cc1F
71343 Fc1cc(OCC2CCN(Cc3ccc(Br)cc3Cl)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71344 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(cc3Cl)C3CC3)CC2)cc1F
71345 Fc1cc(OCC2CCN(Cc3ccc(cc3Cl)C3CC3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71346 Fc1cc(OCC2CCN(Cc3ccc(cc3Cl)C3CC3)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
71347 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)cc1F
71348 Fc1ccc(cc1)C(N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)N2CCC2)CC1)c1ccc(F)cc1
71349 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
71350 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)C(c1ccccc1)c1cc(Cl)cc(Cl)c1
71351 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(OC(F)(F)F)c3)C2)cc1F |r|
71352 Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1 |r|
71353 Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(Cl)c1 |r|
71354 CC(C)(C)c1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1 |r|
71355 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(cc3)-c3ccccc3)C2)cc1F |r|
71356 CC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)c1ccccc1 |c:4|
71357 Nc1ccc(Oc2ncccn2)cc1
71358 ClC(Cl)(Cl)C(=O)c1cc(c[nH]1)C(=O)Cc1ccccc1
71359 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cc1F |r|
71360 Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cc(Br)ccc1O
71361 COc1ccc(C=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1Br |w:6.5|
71362 CCOc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(OCC)c1 |r|
71363 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc4OCCOc4c3)C2)cc1F |r|
71364 COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1OC |r|
71365 Cn1c2ccccc2nc2cc\c(cc12)=[NH+]/CCO
71366 CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(C)cc12
71367 Cc1cc(F)ccc1CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71368 COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(Cl)c1 |r|
71369 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(c(Cl)c3)C(F)(F)F)C2)cc1F |r|
71370 COc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c(C)c1 |r|
71371 Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1Cl |r|
71372 COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
71373 Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12 |w:5.4|
71374 Cc1cc(C)cc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)c1 |r|
71375 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(OC(F)(F)F)c3)C2)cc1F |r|
71376 COc1cc(OC(F)(F)F)ccc1CN1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71377 Cc1ccc(CN2CCC[C@H](C2)Oc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)cc1C |r|
71378 [O-][N+](=O)[C-](C(=O)C(Cl)Cl)C1=[N+](Cc2ccc(Cl)nc2)CCN1Cc1ccc(Cl)nc1 |c:9|
71379 Clc1cc(oc(=O)c1Cl)-c1ccccc1
71380 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccc(O)cc1O |w:14.16|
71381 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
71382 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccc(cc3Cl)S(C)(=O)=O)C2)cc1F |r|
71383 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3ccccc3-c3ccccc3)C2)cc1F |r|
71384 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(Cc3cccc(c3)-c3ccccc3)C2)cc1F |r|
71385 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(CC3CCC4(CCC4)CC3)C2)cc1F |r|
71386 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CN(Cc3ccc(F)cc3Cl)CC(F)(F)C2)cc1F |r|
71387 CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@H]2CN(Cc3ccc(F)cc3Cl)CC(F)(F)C2)cc1F |r|
71388 OC(=O)CNS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
71389 [O-][N+](=O)c1cc(Br)c(Nc2ccccc2)c(c1)[N+]([O-])=O
71390 COC[C@@H](N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 |r|
71392 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CC3CCC(C2)N3Cc2cc(Cl)cc(Cl)c2)cc1F
71393 C[C@H](N1C[C@@H]2C[C@@H](Oc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)[C@H]1C2)c1ccc(F)cc1Cl |r|
71394 C[C@@H](N1C[C@@H]2C[C@@H](Oc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)[C@H]1C2)c1ccc(F)cc1Cl |r|
71395 C[C@@H](N1C[C@@H](CC(C)(C)C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O)c1ccc(F)cc1Cl |r|
71396 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)c(Cl)cc3Cl)CC2)cc1F
71397 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)c(F)c(Cl)c3)CC2)cc1F
71398 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)c(F)cc3F)CC2)cc1F
71399 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)c(F)c(Cl)c3)CC2)cc1F
71400 Fc1cc(OCC2(F)CCN(Cc3cc(Cl)ccc3C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71401 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@H](Cc3ccc(Cl)c(Cl)c3)C2)cc1F |r|
71402 Fc1cc(CN2CCO[C@H](Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
71403 COC1=CC(=Cc2c(C)[nH]n(-c3cccc(Br)c3)c2=O)C=C(OC)C1=O |t:2,22,(9.75,-6.5,;9.75,-4.96,;8.41,-4.19,;8.41,-2.65,;7.08,-1.88,;7.08,-.34,;8.41,.43,;9.82,-.2,;10.14,-1.7,;10.85,.95,;10.08,2.28,;10.71,3.69,;9.8,4.93,;10.43,6.34,;11.96,6.5,;12.87,5.26,;14.4,5.42,;12.24,3.85,;8.58,1.96,;7.43,2.99,;5.75,-2.65,;5.75,-4.19,;4.41,-4.96,;3.08,-4.19,;7.08,-4.96,;7.08,-6.5,)|
71404 ClCC(=O)N1N=C(CC1c1ccco1)c1ccco1 |c:5|
71405 COc1cccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)c1
71406 ClC(Cl)(Cl)c1nc2ccccc2n2nncc12
71407 Fc1cc(CN2CCO[C@H](Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
71408 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@@H](Cc3ccc(Cl)c(Cl)c3)C2)cc1F |r|
71409 COc1ccccc1-n1c(O)cc2ccccc2c1=O |(3.08,2.67,;4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
71410 Fc1cc(CN2CCO[C@@H](Cc3ccc(Cl)c(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
71411 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@H](Cc3cc(Cl)cc(Cl)c3)C2)cc1F |r|
71412 COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
71413 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)Nc1nnc(SC)s1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
71414 Fc1cc(CN2CCO[C@H](Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
71415 CCN(c1ccccc1)c1cc2ccccc2c(=O)[nH]1
71416 Fc1cc(CN2CCO[C@H](Cc3cc(Cl)cc(Cl)c3)C2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
71417 Cc1cc(C)n2nc(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)nc2n1
71418 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCO[C@H](Cc3ccc(F)cc3Cl)C2)cc1F |r|
71419 Fc1ccc(C[C@@H]2CN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CCO2)c(Cl)c1 |r|
71420 Fc1ccc(C[C@@H]2CN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)CCO2)c(Cl)c1 |r|
71421 CC1(C)CO[C@H](Cc2cc(Cl)cc(Cl)c2)CN1Cc1cc(F)c(cc1C1CC1)C(=O)NS(C)(=O)=O |r|
71422 CN1CCN(CC1)C(c1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O
71423 Fc1cc(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(cc(Cl)c2F)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,TLB:4:5:7.8:10.12.11|
71424 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(cc(Cl)c2F)C(F)(F)F)cc1F |r,TLB:14:15:17.18:20.22.21|
71425 COc1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
71426 CC1(CCN(Cc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)Oc1cc(c(Cl)cn1)C(F)(F)F |$;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
71427 Fc1cc(CN2CCC(CC2)Oc2ncc(Br)cc2Cl)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71428 Fc1cc(CN2CCC(CC2)Oc2ncc(cc2Cl)C2CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71429 Fc1cc(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(Cl)cc(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,TLB:4:5:7.8:10.12.11|
71430 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(cn2)C(F)(F)F)cc1F
71431 CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:16|
71432 COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
71433 Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
71434 Fc1cc(CN2CCC(CC2)Oc2ccc(cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71435 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)OCc2ccc(F)cc2Cl)cc1F
71436 Fc1ccc(COC2CCN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)N3CCC3)CC2)c(Cl)c1
71437 Fc1ccc(COC2CCN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)c(Cl)c1
71438 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ncc(cc1Cl)C(F)(F)F
71439 Cc1ccc(NC(=O)c2cc(NC(=O)\C=C/C(O)=O)ccc2N2CCCCC2)cc1
71440 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)c2ncc(cc2Cl)C(F)(F)F)cc1F
71441 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ncc(Cl)cc1F
71442 CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CN(C2)c2ncc(Cl)cc2F)cc1F
71443 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(Cl)c(n1)C(F)(F)F
71444 Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)NCc2ccc3OCOc3c2)c1
71445 Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
71446 Cc1cccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)c1
71447 Clc1cnc(nc1C(=O)NCc1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
71448 Clc1cnc(nc1C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1
71449 Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2c(C)cccc2C)c1
71450 Cc1cccc(C)c1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
71451 CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1
71452 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1cc(Cl)c(cn1)C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
71453 C(N=Nc1nncc2ccccc12)c1ccccn1 |w:2.2|
71454 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1cc(Cl)ncc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;$|
71455 COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
71456 CCOc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccccc3C(O)=O)C2=O)cc1
71457 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccc(cn1)C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
71458 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CN(C1)c1ccncc1C(F)(F)F |$;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
71459 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@@H]2CCCN(C2)c2ccc(cn2)C(F)(F)F)cc1F |r|
71460 Fc1cc(O[C@@H]2CCCN(C2)c2ccc(cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
71461 Fc1cc(O[C@@H]2CCCN(C2)c2ccccn2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r|
71462 Fc1cc(O[C@@H]2CCCN(C2)c2ccccn2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1 |r|
71463 Fc1ccc(nc1)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
71464 CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(=O)NS(=O)(=O)C1CC1)c1cc(Cl)cc(Cl)c1 |r|
71465 Fc1cc(CN2[C@H]3CC[C@@H]2CC(C3)Oc2cc(Cl)cc(OC(F)(F)F)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1 |r,TLB:4:5:7.8:10.12.11|
71466 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccccc2C(F)(F)F)cc1F
71467 Cc1cc([nH]n1)C(=O)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:9.9|
71468 [O-][N+](=O)c1ccc(F)c(C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1F
71469 Fc1cc(CN2CCC(CC2)Oc2ccccc2C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71470 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)cc1F
71471 COc1ccc(CNC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
71472 CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
71473 Fc1cc(CN2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71474 OC(=O)CN1C(=S)S\C(=C\c2ccc(OC(=O)c3ccco3)cc2)C1=O
71475 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)cc1F
71476 Fc1cc(CN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71477 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)cc2)cc1F
71478 Fc1cc(CN2CCC(CC2)Oc2ccc(Cl)cc2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71479 CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
71480 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(F)cc2Cl)cc1F
71481 OS(O)(NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(F)cc2Cl)cc1F)C1CC1
71482 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(F)cc2)cc1F
71483 Fc1ccc(OC2CCN(Cc3cc(F)c(cc3C3CC3)C(=O)NS(=O)(=O)C3CC3)CC2)cc1
71484 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc1F
71485 COc1ccc(OC)c(NC(=O)Cc2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2)c1 |t:18|
71486 Fc1cc(CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71487 COc1ccc(OCc2cc(no2)C(=O)NC2CCOC(C)(C)C2)c2ccccc12
71488 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)cc1F
71489 Fc1cc(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71490 CS(=O)(=O)N(S)C(=O)c1cc(C2CC2)c(CN2CCC(CF)(CC2)c2ccc(F)cc2)cc1F
71491 FCC1(CCN(Cc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1ccc(F)cc1
71492 COCC1(CCN(Cc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CC1)c1ccc(F)cc1
71493 COCC1(CCN(Cc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CC1)c1ccc(F)cc1
71494 CS(=O)(=O)N(S)C(=O)c1cc(C2CC2)c(CN2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)cc1F
71495 Fc1cc(CN2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71496 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)c(c2)C(F)(F)F)cc1F
71497 Fc1cc(CN2CCC(CC2)Oc2ccc(Cl)c(c2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71498 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(c(Cl)cn2)C(F)(F)F)cc1F
71499 Fc1cc(CN2CCC(CC2)Oc2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71500 COc1ccc(cc1)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
71501 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ncc(cc2Cl)C(F)(F)F)cc1F
71502 Fc1cc(CN2CCC(CC2)Oc2ncc(cc2Cl)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71503 CN(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
71504 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1c(Cl)ccc2nonc12
71505 CCc1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
71506 CC1(COc2cc(F)c(cc2C2CC2)C(N)=O)CN(C1)c1cc(c(Cl)cn1)C(F)(F)F
71507 NC(=O)c1cc(C2CC2)c(CN2CCN(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
71509 NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@H](C3)Oc2cc(Cl)cc(Cl)c2)cc1F |r,THB:10:11:16.18.17:13.14|
71510 CC(C)(N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(N)=O)c1cccc(Cl)c1 |r|
71512 NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Sc2cc(Cl)cc(Cl)c2)cc1F
71513 NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F
71514 COc1cccc(NC(=O)c2cnc(SCC(=O)NCC3CCCO3)n(C)c2=O)c1
71517 NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)S(=O)c2cc(Cl)cc(Cl)c2)cc1F
71518 CC(=O)Nc1cccc(NC(=O)CSc2ncc(C(=O)Nc3ccccc3)c(=O)n2C)c1
71519 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(cc(Cl)c2F)C(F)(F)F)cc1F
71520 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc(C)cc(C)c2s1
71521 Fc1cc(CN2CCC(CC2)Oc2cc(cc(Cl)c2F)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71522 CC(C)(C)N1CCC[C@H](C1)Oc1cc(F)c(cc1C1CC1)C(N)=O |r|
71524 CCCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc12
71525 CC(N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)CC1)c1cc(Cl)cc(Cl)c1
71527 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C2)c2cc(c(Cl)cn2)C(F)(F)F)cc1F
71528 Fc1cc(OCC2CN(C2)c2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71529 COc1ccccc1NC(=O)c1cnc(SCC(=O)NCC2CCCO2)n(C)c1=O
71530 NC(=O)c1cc(C2CC2)c(CN2CC(C2)Oc2cc(Cl)cc(Cl)c2)cc1F
71531 [O-][N+](=O)c1cc(c(Nc2cccnc2)c(c1)[N+]([O-])=O)[N+]([O-])=O
71533 NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2ccc(Cl)cc2Cl)cc1F
71535 NC(=O)c1cc(C2CC2)c(CN2CCC(CC2)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F
71537 NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cc(c(Cl)cn2)C(F)(F)F)cc1F |r,THB:10:11:16.18.17:13.14|
71539 NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2ncc(cc2Cl)C(F)(F)F)cc1F |r,THB:10:11:16.18.17:13.14|
71540 CC(OC(=O)c1cc(O)c2ccccc2c1O)C(=O)Nc1ccc(cc1)C(N)=O
71542 COc1cc(NC(C)CCCN)c2ncccc2c1
71543 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cc(c(Cl)cn2)C(F)(F)F)cc1F
71544 Fc1cc(OCC2CCN(CC2)c2cc(c(Cl)cn2)C(F)(F)F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
71545 CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
71546 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
71547 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCN(CC1)c1cc(c(Cl)cn1)C(F)(F)F
71548 CN(CCc1ccccc1)C(=O)c1cc(nc2ccccc12)-c1ccco1
71549 O=C(N1CCC(CC1)c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
71550 Clc1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
71551 O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
71552 CC(C)(C)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
71553 CN(C)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
71554 OCCCNC(=O)c1cc(nc2ccccc12)-c1ccco1
71555 CC(C)CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
71556 OCC1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
71557 O=C(NCCN1CCCCC1)c1cc(nc2ccccc12)-c1ccco1
71558 O=C(N1CCC(CC1)N1CCCC1)c1cc(nc2ccccc12)-c1ccco1
71559 CN1CCCC1CCNC(=O)c1cc(nc2ccccc12)-c1ccco1
71560 CC(C)(C)c1ccc(CNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
71561 O=C(N1CCC(CC1)N1CCOCC1)c1cc(nc2ccccc12)-c1ccco1
71562 COc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
71563 O=C(Nc1ncc(o1)-c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
71564 O=C(Nc1ncc(s1)-c1ccccc1)c1cc(nc2ccccc12)-c1ccco1
71565 O=C(N1CCc2cccnc12)c1cc(nc2ccccc12)-c1ccco1
71566 O=C(NC1CCc2ccccc2C1)c1cc(nc2ccccc12)-c1ccco1
71567 CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
71568 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
71569 Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
71570 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1)Cc1ccccc1
71571 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(C)c2)cc1)Cc1ccc(C)cc1
71572 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
71573 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(C)cc1)C(C)C
71574 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)C
71575 Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
71576 CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(CC)cc2)cc1)Cc1ccccc1
71577 CCC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(CC)cc2)cc1)Cc1ccccc1
71578 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(C)[C@@H](C)c1ccccc1
71579 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
71580 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
71581 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(Br)cc1
71582 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(C)cc1
71583 COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
71584 COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
71585 COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(Br)cc1)C(C)C
71586 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1
71587 Brc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
71588 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccc(Br)cc1
71589 COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)C(C)C)cc1
71590 CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccc(OC)cc1)C(C)C
71591 COc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
71592 Brc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
71593 CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1)Cc1ccccc1
71594 CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1)Cc1ccccc1
71595 O=C(Cn1c2ccccc2n2cccc2c1=O)NCCCN1CCN(Cc2ccccc2)CC1
71596 Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3cc(F)ccc3n3cccc3c2=O)CC1
71597 O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCOCC1
71598 CN1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
71599 O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCCCC1
71600 O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCC(Cc2ccccc2)CC1
71601 O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(Cc2ccccc2)CC1
71602 Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
71603 Cc1cccc(N2CCN(CCNC(=O)Cn3c4ncccc4n4cccc4c3=O)CC2)c1C
71604 Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccccc3)c(=O)c3cccn3c12
71605 CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1)Cc1ccccc1
71606 O=C(NCCN(Cc1ccccc1)Cc1ccccc1)c1ccc(CNS(=O)(=O)c2ccccc2)cc1
71607 CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1)Cc1ccccc1
71608 COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3)cc2)C(C)C)cc1
71609 Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
71610 COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
71611 Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc(Cl)cc3)c(=O)c3cccn3c12
71612 Cc1ccnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc4OCOc4c3)c(=O)c3cccn3c12
71613 COc1ccc(N2CCN(CCCNC(=O)Cn3c4nccc(C)c4n4cccc4c3=O)CC2)c(OC)c1
71614 O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(CC1)c1ccccc1
71615 Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
71616 Clc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
71617 O=C(Cn1c2ncccc2n2cccc2c1=O)NCCCN1CCN(CC1)c1ccc2OCOc2c1
71618 COc1ccc(N2CCN(CCCNC(=O)Cn3c4ncccc4n4cccc4c3=O)CC2)c(OC)c1
71619 COc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
71620 Clc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
71621 COc1ccc(N2CCN(CCCNC(=O)Cn3c4ncc(Br)cc4n4cccc4c3=O)CC2)c(OC)c1
71622 Brc1cnc2n(CC(=O)NCCCN3CCN(CC3)c3ccc4OCOc4c3)c(=O)c3cccn3c2c1
71623 CN(C)c1ccc(CN=Nc2c(Cl)cncc2Cl)cc1 |w:9.9|
71624 O=C(CCn1c2ccccc2oc1=O)Nc1ccccc1
71625 CC1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccc(cc1)N(C)C
71626 CCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1
71627 Cc1nnc(Sc2nc3n(C)c(=O)n(C)c(=O)c3n2Cc2ccccc2Cl)s1
71628 CN(C)CCCn1c(N)c(C#N)c2nc(C#N)c(nc12)C#N
71629 COc1cc(NC(=O)Cc2cccs2)ccc1-n1cnnn1
71630 Clc1ccc(cc1Cl)-c1ccc(o1)C(=S)N1CCN(CCC#N)CC1
71631 Cc1ccc2nc(cc(C(O)=O)c2c1)-c1ccc2OCCOc2c1
71632 Brc1ccc(o1)C(=O)Oc1cccc2cccnc12
71633 Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCOCC1
71634 O=C(CN1CCOCC1)N(c1ccccc1)c1ccc2ccccc2c1
71635 COc1cccc(C(N(CC=C)C(=O)CCC(=O)Nc2cc(C)on2)C(=O)NC(C)(C)C)c1OC
71636 Cc1ccc(=O)n(c1)C(C(=O)NCc1ccco1)C(=O)c1ccc(F)cc1
71637 C(c1ccccc1)n1nnnc1C(N1CCc2ccccc2C1)c1cccs1
71638 Clc1cccc(NC(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCC2)c1
71639 O=C(Cn1cc(C(=O)C2CC2)c2ccccc12)N1CCCCC1
71640 CCc1ccccc1NC1=NCC(=O)N1C1CCCCC1 |t:10|
71641 CC(C)C(N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O)c1nnnn1CCc1ccccc1
71642 O=C(CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CC1)Nc1ccccc1
71643 COc1cccc(c1)C1CC(=O)NC(SCC=C)=C1C#N |c:18|
71644 CCNc1nc(NC(C)C)nc(n1)N(CC)C#N
71645 COc1cc(ccc1OCc1ccccc1)-c1nnn(CC#N)n1
71646 O=C(CSc1nnc(o1)-c1cccs1)N1CCCc2ccccc12
71647 CCCC(N(C1CCCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccco1
71648 O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
71649 CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C2C#Cc1ccccc1 |c:6|
71650 CCCCc1cc(O)c(CCCC)c(O)c1
71651 Cc1ccc(C)c(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)C(=O)c2cccs2)c1
71652 COc1ccccc1NC(=O)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
71653 CCc1[nH]nc2OC(=N)C(C#N)C3(CCN(CC3)C(=O)OCc3ccccc3)c12
71654 CCOC(=O)Cn1nnc(n1)-c1cccc(OC)c1
71655 Cc1ccc(cc1)C(=O)Cn1nnc(n1)-c1ccccc1-n1cnnn1
71656 CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1C(C)C
71657 CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2=O
71658 COc1c(Br)cc(Br)cc1C(O)=O
71659 CCCCOc1ccc(cc1)-c1nnc(o1)-c1ccco1
71660 Cc1ccccc1Cn1c(nc2ccccc12)-c1cncs1
71661 CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)NC)nc3ccccc23)c1
71662 CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccoc1C
71663 CCOC(=O)Nc1ccc2C=Cc3ccccc3N(C(=O)CN(CC)CC)c2c1 |c:10|
71664 [H]C12CCCC([H])([C@@H]1O)[C@]1(O)CCCCC1C2 |TLB:10:9:7:4.2.3,11:9:7:4.2.3|
71665 Cn1c(Cl)cnc1C1CC(=O)c2cc(Cl)ccc2O1
71666 Nc1ncnc2CCCc12
71667 CC1(CC(c2cccs2)=C(C#N)C(=O)N1)c1cccs1 |t:9|
71668 COc1ccc(C=Nn2cncn2)cc1COc1ccc(NC(C)=O)cc1
71669 CC(C)(C)c1cccc(CN=O)c1O
71670 CCc1[nH]c(=O)c(C#N)c2CC(C)(C)SCc12
71671 CC1(C)Cc2nc(NCCN3CCOCC3)c(cc2CO1)C#N
71672 CC1=C(Sc2nc3ccccc3[nH]2)C(=O)NC(C)(C)C1 |c:1|
71673 CCOC(=O)C1CCCN(CC(=O)Nc2c([nH]c3ccccc23)C(=O)OC)C1
71674 CCCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4CCCc4sc3n12 |(14.18,-5.5,;12.67,-5.18,;12.19,-3.71,;10.68,-3.39,;10.2,-1.92,;11.1,-.68,;10.2,.56,;8.74,.09,;7.4,.86,;7.4,2.41,;6.06,3.18,;6.06,4.73,;7.4,5.5,;8.74,4.73,;8.74,3.18,;10.07,2.41,;11.41,3.18,;6.06,.09,;4.72,.86,;6.06,-1.45,;4.92,-2.48,;3.4,-2.65,;3.09,-4.14,;4.41,-4.91,;5.55,-3.89,;7.07,-3.73,;7.4,-2.23,;8.74,-1.45,)|
71675 Cc1cc(C)n(n1)-c1cc(=O)n(C)c(=O)n1C
71676 CCc1ccc(NC(=O)CSC2=C(C#N)C(CC(=O)N2)c2ccc3OCOc3c2)cc1 |c:11|
71677 Cc1ccc(o1)C1=Nc2ccccc2NC(C)(C1)c1ccc(C)o1 |t:7|
71678 Cc1cc2CC(C)(C)n3nnnc3-c2cc1C
71679 CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1cc(OC)ccc1F
71680 Cc1cc(C)n(n1)S(=O)(=O)\C=C\c1ccccc1
71681 O=C(NCCN1Cc2ccccc2C1=O)c1cccs1
71682 COC(=O)CCC(=O)COc1ccc(OC)cc1C#N
71683 Fc1ccc(cc1)C(=O)CC(c1ccco1)S(=O)(=O)c1ccccc1
71684 CCC(NCc1ccco1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:10.25|
71685 Cn1c(SCc2cccc(c2)C(F)(F)F)nnc1-c1ccco1
71686 CCCC(=O)Nc1cc(ccc1OC)-c1nn(C)c(=O)c2ccccc12
71687 N#Cc1cc(Oc2cccc3cccnc23)c(cc1C#N)-n1nnc2ccccc12
71688 NCCCCCc1nnc(SC\C=C\c2ccccc2)o1
71689 NCCc1nnc(SCc2ccc(F)cc2)o1
71690 CCCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCN(CC1)c1cccc(Cl)c1
71691 COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccnc2)n1CC=C
71692 CCN(CC)CCCN1C(c2c(oc3ccccc3c2=O)C1=O)c1cccc(OC)c1OC
71693 COC(=O)[C@@H](NC(=O)NC1CCCc2ccccc12)C(C)C
71694 Cc1ccc(C)c(c1)S(=O)(=O)c1c(N)n(N=Cc2ccco2)c2nc3ccccc3nc12
71695 Cc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C(=O)NCc1ccco1
71696 COc1ccc(CCNc2oc(nc2C#N)-c2ccccc2OC)cc1
71697 Cc1nn2c(NCCN3CCOCC3)cc(C)nc2c1-c1ccc(Cl)cc1
71698 COc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1
71699 C(Nc1nc(nc2c3ccccc3oc12)-c1ccccc1)c1cccnc1
71700 Cc1c2NC(=O)C3(NC(CCC(N)=O)c4c(O)n(c(O)c34)-c3ccc(Cl)cc3)c2ccc1Cl
71701 Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c12
71702 COCCCN1C(c2c(n[nH]c2C1=O)-c1ccccc1O)c1cccc(Cl)c1
71703 O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(CC23)c2ccccc2)C(=O)N1Cc1ccccc1
71704 CCCn1c(C)nc2n(CCC3=CCCCC3)c3nc4ccccc4nc3c2c1=O |t:11|
71705 Cn1nnnc1SCCNC\C=C\c1ccccc1
71706 O=NC(Cn1c[n+](NC(=O)Nc2ccccc2)cn1)C#N
71707 O=c1n(Cc2ccco2)c(nc2sc3ccccc3c(=O)c12)C1CCCCC1
71708 CCOC(=O)C1C(c2ccncc2)n2c(nc3ccccc23)N=C1C |c:25|
71709 Cc1ccc(cc1)-c1nnn[nH]1
71710 C=CCn1c(SCC(=O)NC2CCCC2)nc2scc(-c3ccco3)c2c1=O
71711 CC12CCC(=O)N1C(CS2)C(=O)Nc1cccc2ccccc12
71712 CCOC(=O)c1c(NC(=O)CSc2nncs2)scc1-c1ccc(C)o1
71713 CCC(C)n1c(SCC(=O)NC(=O)Nc2ccc3OCCOc3c2)nc2ccccc2c1=O
71714 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12
71715 O=c1n(CSc2ncnc3ccccc23)nnc2ccccc12
71716 CCC1CCCCN1C(=O)COC(=O)c1cc2ccccc2cc1O
71717 O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCc2ccccc12
71718 FC(F)(F)c1ccc(Sc2nnc(-c3cccs3)n2CC2CCCO2)nc1
71719 Fc1ccc(cc1)-n1nc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)sc1=S
71720 CCOc1ccc2nc(SCc3ccc(o3)C(=O)OC)[nH]c2c1
71721 COC(=O)c1ccc(CSc2nnnn2-c2ccc(C)cc2C)o1
71722 Cc1cc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)no1
71723 COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nc2sc3CCCc3c2c(=O)n1C
71724 CC(OC(=O)CCNS(=O)(=O)c1cccc(C)c1)C(=O)NC(=O)NC1CCCCC1
71725 Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1
71726 CCn1cnc2n(Cc3ccccc3)c(=O)n(Cc3nnc4CSc5ccccc5-n34)c(=O)c12
71727 CCn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccs1
71728 Nc1cc(no1)-c1ccco1
71729 CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)Nc1ncccc1C
71730 Cc1ccc(s1)C(=O)OCC(=O)c1ccc(Cl)s1
71731 OC(=O)CCC(=O)NCCn1c(cs\c1=N/c1ccccc1)-c1ccccc1
71732 CC(C)CCN1Cc2cc(cnc2NC1=O)C(=O)c1cc(C)ccc1O
71733 COc1ccc(cc1)-n1cnnc1SCC(=O)N(C)C1CCS(=O)(=O)C1
71734 CCN(CC)S(=O)(=O)c1ccc2n(c(SCC(=O)NC3CC3)nc2c1)-c1ccccc1OC |(3.08,-2.82,;4.41,-2.05,;5.75,-2.82,;5.75,-4.36,;4.41,-5.13,;7.08,-2.05,;6.31,-.71,;7.85,-3.38,;8.41,-1.28,;8.41,.26,;9.75,1.03,;11.08,.26,;12.54,.73,;13.44,-.51,;14.98,-.51,;15.75,-1.84,;17.29,-1.84,;18.06,-.51,;18.06,-3.17,;19.6,-3.17,;20.93,-3.94,;20.93,-2.4,;12.54,-1.74,;11.08,-1.28,;9.75,-2.05,;13.02,2.2,;11.99,3.34,;12.47,4.81,;13.97,5.13,;15,3.98,;14.52,2.52,;15.55,1.37,;17.06,1.69,)|
71735 CC(N1CC(C)OC(C)C1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
71736 Brc1ccccc1-c1nnc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1
71737 CCOC(=O)c1cc(C#N)c(SCc2ccc(cc2)C#N)nc1C
71738 O=c1n(c(SCc2cn3ccsc3n2)nc2ccccc12)-c1ccccc1
71739 CC(C)NCC(O)COCc1ccc(Cl)cc1
71740 Cc1cc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)no1
71741 Cc1noc(C)c1COC(=O)c1ccccc1Oc1ccccc1
71742 Cc1cc(=O)oc2cc(N)ccc12
71743 COCCn1c(C)cc(C(=O)COC(=O)c2ccc(cc2)-n2nc(C)cc2C)c1C
71744 COc1ccc(cc1)N(CC(=O)N1CCc2ccccc12)S(=O)(=O)c1c(C)noc1C
71745 CCCCN(CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC)c1ccccc1
71746 Fc1ccc(cc1)C1N(CC(=O)Nc2ccc(Cl)cc12)C(=O)c1ccc(Br)o1
71747 Cc1ccc(c(C)c1)-n1nc2CSCc2c1NC(=O)c1ccc2OCOc2c1
71748 CCOC(=O)C1=C(N=C(SC)C(C#N)C1c1ccco1)c1ccccc1 |t:5,7|
71749 COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)NCCCN(C)c1ccccc1
71750 CC(=O)NCCn1ccc2ccccc12
71751 Cc1ccc(cc1)-c1ccc(=O)[nH]n1
71752 CCC1Oc2ccc(C)cc2N(Cc2cccc(C)c2)C1=O
71753 CN(Cc1ccccc1)C(=O)c1cc(on1)-c1ccc(Br)cc1
71754 Cc1ccc(CNC(=O)c2cn(C3CCCCC3)c(=O)c3n(C)c4ccccc4c23)o1
71755 Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1
71756 CCN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)c1cccc(C)c1
71757 CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CN3CCN(CC)CC3)ccc12
71758 Cc1ccc(Nc2n(C3CCCCC3)c(=O)c3ccc[nH]c23)cc1
71759 CN(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1c[nH]cn1
71760 CCOc1ccc(cc1)-n1cc(C(=O)N2CCC(C)CC2)c2cc(OC)c(OC)cc2c1=O
71761 Cc1ccc(cc1)-c1noc(CCC(=O)Nc2cc(C)ccn2)n1
71762 CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
71763 CCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
71764 CCOc1cccc(C2NCc3ccccc3-n3cccc23)c1O
71765 CN(C)CCc1nc2ccccc2c(=O)n1-c1ccccc1
71766 CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccco3)c2c1C
71767 Cc1ccc(CNC(=O)Cn2ccc3ccccc3c2=O)o1
71768 CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc2N(C)C(=O)C(C)(C)c2c1
71769 COc1ccc(cc1)-c1nnc2ccc(SCC(=O)NCC3CCCO3)nn12
71770 CCOC(=O)c1c(C)c(C(=O)Nc2ccc3OCOc3c2)c(C)n1C
71771 Cc1cc(NC(=O)c2cc(C)on2)n(n1)-c1ccccc1
71772 CCCN(CCC)CCCNC(=O)CS(=O)Cc1nc(oc1C)-c1ccc(OC)c(OC)c1
71773 COCCCNC(=O)CCn1c(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2c1=O
71774 CCC(Sc1nc2nnc(C)c2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1
71775 COc1cccc(c1)C1C(C(N)=O)C(C)=Nc2nc(nn12)-c1cccc(Cl)c1 |c:15|
71776 O=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1cccc2nsnc12
71777 COc1ccc(cc1)-c1cc(CCCC(=O)NCCc2ccc(OC)cc2OC)no1
71778 Fc1ccc(cc1)-n1c(SCC(=O)NCc2ccco2)nnc1-c1c[nH]c2ccccc12
71779 Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cn1
71780 COc1ccc(cc1)N1C(SCC1=O)c1ccncc1
71781 O=C(CCCC1=Nc2ccccc2S(=O)(=O)N1)N1CCN(CC1)c1ccccc1 |t:5|
71782 FC(F)(F)c1cc(nc2c(cnn12)C(=O)NC1CCCCC1)-c1ccco1
71783 CCN(CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1
71784 COc1ccc(cc1)N1CCN(CC1)C(C(C)NS(=O)(=O)c1ccccc1)c1cccs1
71785 [H]C12CC(C)(CN1C(=O)c1noc-3c1CCc1cc(OC)ccc-31)CC(C)(C)C2 |TLB:7:6:2:25.24.28|
71786 COc1ccccc1N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O
71787 CSc1ccc(cc1)C1C(C#N)C(=N)N(C2=C1C(=O)CCC2)c1ccccc1 |c:16|
71788 CCOC(=O)N1CCN(CC1)C(=O)c1cnc2SCCn2c1=O
71789 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
71790 Cc1ccc(cc1)-c1n(cc2n(C)c(=O)n(C)c(=O)c12)-n1cnnc1
71791 Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1
71792 NC(=O)c1nn(nc1NC(=O)CN1CCCCC1)-c1ccccc1
71793 COc1ccc(cc1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
71794 Cc1nn(CC(O)Cn2c(C)c(C)c3cc(C)ccc23)c(C)c1Br
71795 CCn1c(CNC(C)=O)nnc1SCC(=O)c1ccc(Br)cc1
71796 CC(C)c1nnc(SCc2ccc(CSc3nnc(C(C)C)n3N)cc2)n1N
71797 CCOC(=O)CC(=O)CSCC(=O)Nc1ccc(C)cc1
71798 Brc1ccccc1C(=O)N1CCN(CC1)c1ccccc1
71799 Cc1ccc2cccc(NC(=O)C(F)(F)F)c2n1
71800 COc1ccc(F)cc1S(=O)(=O)Nc1ccc2OCOc2c1
71801 Cc1ccccc1Nc1nnc(C)c(=O)[nH]1
71802 COc1ccc(C)cc1Cn1c(nc2ccccc12)S(C)(=O)=O
71803 O=S(=O)(N1CCOCC1)c1ccc(Oc2ccccc2)cc1
71804 CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
71805 CSc1nc(NC(C)(C)C)nc(Oc2ccc(=O)[nH]n2)n1
71806 COC(=O)C1C(C)CC2=NC(C)=C(C(C2C1=O)c1ccc(C)o1)C(=O)OCc1ccc(OC)cc1 |c:11,t:8|
71807 CC1CCCCC1NC(=O)CSc1nnc(CNC(=O)COc2c(C)cccc2C)n1C
71808 CCc1c(C)sc(NC(=O)c2ccc(Br)o2)c1C(=O)OC
71809 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1ccccc1C(C)=O |TLB:12:7:6:3.2,THB:9:8:6:3.2|
71810 CCN1C(=O)CC(N2CCN(CC2)c2ccc(cc2)C(=O)c2ccccc2)C1=O
71811 COc1ccc2cc(ccc2c1S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1
71812 COc1cccc(CN2CCN(CC2)c2ccccc2OC)c1O
71813 COc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1 |c:23|
71814 COc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(F)(F)F
71815 CCn1c2cc(C)c(cc2n(CC)c1=O)S(=O)(=O)Nc1ccccc1C
71816 O=c1[nH]c(nc2CCCc12)N1CCN(CC1)c1ccccc1
71817 CCS(=O)(=O)C(C1=NCCO1)S(=O)(=O)CC |t:6|
71818 CC(=O)Nc1ccc(cc1)N=CCC(=O)C(C)(C)C |w:10.10|
71819 CCOC(=O)Cc1cnc(NC(=O)NC(C(=O)OCC)(c2ccccc2)C(F)(F)F)s1
71820 Cc1ccc(O)c(NC(=O)COc2cc(C)ccc2C)c1
71821 OC(=O)CCc1ccc(-c2ccc(Br)cc2)n1Cc1ccco1
71822 Cn1c(NCCO)nc2n(C)c(=O)n(C)c(=O)c12
71823 CCN(CC)C(=O)c1ccc(C)c(Br)c1
71824 null
71825 O=C(NCc1ccc(cc1)N1CCCC1=O)Nc1ccccc1
71826 CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1
71827 COCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1
71828 CC1CC(C)(C)N2C(=O)C3(c4cc(C)cc1c24)C(C#N)=C(N)Oc1cc(O)ccc31 |t:22|
71829 CSc1ccccc1-n1nnnc1SCC(=O)NCc1cccs1
71830 Cc1cc(C(=O)N2CCN(CC2)c2ccccn2)c(C)o1
71831 Cc1cccc(C)c1N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1
71832 Cc1cc(C)n(n1)-c1nc2ccccc2nc1N1CCN(CC1)C(=O)c1ccc(F)cc1
71833 Cc1ccc(Cl)c(OCC(=O)Nc2nncs2)c1
71834 Oc1cc(N(Cc2ccc3OCOc3c2)C(=O)Nc2ccc(F)cc2)c(O)n1-c1ccccc1
71835 COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1SC)S(C)(=O)=O
71836 CCCCOc1ccc(CSc2nnc[nH]2)cc1
71837 CCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1 |c:18|
71838 Cc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
71839 COc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1N
71840 Cc1ccc(C2C(C#N)C(=N)SC(=N)C2C#N)c(C)c1
71841 null
71842 COc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1
71843 CCc1nc2c3cc4COC(C)(C)Cc4nc3sc2c(=O)n1Cc1ccco1
71844 CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(nn1-c1ccccc1)C#N
71845 Cc1cc(C)cc(OCC(O)CN2C(=O)NC(C)(C)C2=O)c1
71846 CC(C)c1ccc(cc1)C1N(CCCN2CCOCC2)C(=O)c2oc3cc(C)c(C)cc3c(=O)c12
71847 CC(C)CC(NS(=O)(=O)c1ccc2n(C)c(=O)oc2c1)C(=O)NC1CCCc2ccccc12
71848 Fc1ccc(cc1)-c1nnc2ccc(nn12)N1CCc2ccccc2C1
71849 CC1Oc2ccccc2CN(c2ccc(C)cc2)C1=O
71850 Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12
71851 COC(=O)C(C)Sc1nc2n(C)c(=O)n(C)c(=O)c2n1CCC(C)C
71852 CCOC(=O)C(CCOc1cccc(CC)c1)C(=O)OCC
71853 Cc1nc(c(NCc2ccccc2)o1)S(=O)(=O)c1ccc(Cl)cc1
71854 Clc1ccc(CSc2cn3CCCc3n2)cc1
71855 OC(CN1c2ccccc2Sc2ccccc12)Cn1nnc2ccccc12
71856 CCOC(=O)c1c(COc2ccccc2)oc2ccc(O)cc12
71857 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccco1)Cc1ccc(F)cc1
71858 COCCNC(=O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
71859 [H]C12OC([H])(C=C1)c1c(O)n(c(O)c21)-c1sc2CCCCc2c1C(=O)OCC |c:5,TLB:8:7:2:5.6,THB:11:13:2:5.6,(14.34,1.67,;14.24,3.21,;13.51,6.21,;14.64,4.69,;14.62,6.23,;17.46,3.53,;17.06,2.04,;10.8,3,;9.31,2.68,;8.16,3.71,;9.15,1.16,;10.55,.53,;10.86,-.97,;11.57,1.67,;7.82,.39,;6.42,1.01,;5.39,-.13,;3.85,-.13,;3.08,-1.46,;3.85,-2.79,;5.39,-2.79,;6.16,-1.46,;7.66,-1.14,;8.8,-2.17,;10.27,-1.69,;8.49,-3.67,;9.63,-4.7,;9.31,-6.21,)|
71860 CCOC(=O)CC(C)=Nc1cc(C)nn1-c1ccccc1 |w:8.8|
71861 COc1cccc(\C=C2/N=C(SC)SC2=O)c1OC |t:9|
71862 CC(C)CC(N1C(=O)c2ccccc2C1=O)C(=O)C(C#N)c1nc2ccccc2[nH]1
71863 Cn1c(CN2CCN(CC2)c2ccc(Cl)cc2)nc2ccccc12
71864 O=C(c1ccco1)c1nnn(Cc2ccccc2)c1-c1ccccc1
71865 Brc1ccc(cc1)C1Nc2ccccc2N=C2CNC(=O)C12 |t:17|
71866 CC(CC#CCN1CCOCC1)OCCC#N
71867 CCOC(=O)C1=C(C)N=c2sc(=CC(=O)OC)c(=O)n2C1c1ccc(OC)cc1 |c:5,t:8|
71868 Cc1cccc(c1)N1CCN(C1c1cccnc1)c1cccc(C)c1
71869 [#6]-[#8]-c1cccc(-[#7]\[#6]=[#6]-2/[#6](=O)-[#8]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#8]-[#6]-2=O)c1
71870 CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCOCC3)c(O)ccc12
71871 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cccnc2)-[#6](=O)-[#6]1
71872 CCOC(=O)c1c(C)sc2Sc3ccccc3N(C(=O)CN(CC)CC)c12
71873 COc1ccc(cc1OC)-c1c(Cl)nc(NCc2ccccc2)c(=O)n1-c1ccccc1
71874 COc1ccc(cc1COc1ccc(F)cc1)C1Nc2ccccc2C(=O)N1Cc1ccco1
71875 OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N1CCCC1
71876 COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccc2c(c1)-c1ccccc1S2(=O)=O)-c1ccccc1
71877 COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc2ccccc12
71878 CCC(C)(C)n1nnnc1C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc2cc(C)cc(C)c2[nH]c1=O
71879 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc12
71880 [H]C12CCC(CC(=O)NCc3ccc4OCOc4c3)(CC1)C2
71881 CC(C)(C)NC(=O)C(N(C1CCCCC1)C(=O)Cn1nnc(n1)-c1cccs1)c1ccncc1
71882 COc1ccc(cc1)-c1nnc(SCC(O)=O)n1CC(C)=C
71883 COc1cccc(c1)N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O
71884 COc1ccc(OC)c(c1)N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccccc1
71885 Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCCC(C1)C(=O)NCCC1=CCCCC1 |t:25|
71886 CCc1nc(N2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)c2c(C)c(C)sc2n1
71887 Cc1nn(C(CC(O)=O)C(O)=O)c(C)c1Br
71888 CCOC(=O)Cc1nnc(Nc2cccc(C)c2)c2ccccc12
71889 Cc1ccc(Nc2nc(O)cs2)cc1
71890 COc1ccc(cc1OC)C(CC=C)NCc1ccco1
71891 Cc1ccccc1CSc1nsc(N)n1
71892 CC(CCc1oc2c(Br)cc(Br)cc2c1-c1ccc(C)o1)N=O
71893 COc1ccc(Br)cc1CN1CCCCCCC1
71894 Cn1c(Cn2nnc3ccccc23)nnc1SCC(=O)c1ccccc1F
71895 [H]C12OC(CNC(=O)C(C)(C)C)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1 |c:12,TLB:18:20:2:12.13,THB:15:14:2:12.13|
71896 CC1CC(C)(C)N(C(=O)NC2CCCCC2)c2ccccc12
71897 CC1CC2(CCCCC2)Nc2ccc3ccccc3c12
71898 Cc1cccc(c1)N(C(C(=O)NC(C)(C)C)c1ccc(F)cc1)C(=O)c1ccc(CN2CCOCC2)o1
71899 Clc1ccc2Sc3ccccc3N(C(=O)CSc3nnc(-c4ccncc4)n3Cc3ccco3)c2c1
71900 COc1ccc(CNC(=O)C(N(C(=O)c2csnn2)c2ccc(cc2)C(C)C)c2ccc(C)o2)cc1
71901 CC1SC(NC1=O)c1ccc(Cl)cc1
71902 Cc1nc2ccccc2n1CC(O)COCC1CCC=CC1 |c:21|
71903 Cc1cc(F)c(F)c(C(=O)N2CCOCC2)c1Cl
71904 Cn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
71905 Cc1ccc(Nc2c(N)c(=O)oc3ccccc23)cc1
71906 Cn1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)cn1
71907 Clc1ccc2NC(=S)CN=C(c3ccccc3)c2c1 |t:9|
71908 Cc1c(Cl)c(nn1C)C(=O)NC1CCCC1
71909 Cc1ccc(cc1)-n1c2ccc(n[n+]2c([O-])c(Cc2ccccc2)c1=O)-c1ccccc1
71910 COc1ccc(cc1)\N=C1\N(C(=O)c2ccc(OC)cc2)C(=S)N(\C\1=N/c1ccc(OC)cc1)c1ccc(OC)cc1
71911 CCOc1ccc(cc1)N=C(c1nnn[nH]1)c1c(O)c2ccccc2n(C)c1=O |w:9.9|
71912 CC(C)(C)c1cc(NC(=O)CCSc2nnc3ccccn23)cc(c1)C(C)(C)C
71913 CCSc1nnc(NC(=O)c2cccnc2Cl)s1
71914 CC(=O)Oc1ccc(Cn2cnc3cc4ccccc4cc23)cc1
71915 C[C+](Cn1cnc(n1)[N+]([O-])=O)[N-]NC(=O)c1ccccc1F
71916 CC(C)CC(=O)Nc1ccc(cc1)N1CCOCC1
71917 COc1ccc(CNC(=O)Oc2ccccc2)cc1Cl
71918 CCOC(=O)C(=O)C(C=Nc1ccccc1)C#N |w:9.9|
71919 COc1ccc(cc1)C(=O)n1nc(C)cc1Nc1ccccc1
71920 [#6]-[#8]-c1cccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)c1
71921 COC(=O)CC\C(=C1\C=C(NC1=O)c1ccccc1)c1ccccc1 |c:8|
71922 CC(C)SC1=NC(C)(C)CC(C=Cc2ccc(Cl)cc2Cl)=N1 |w:11.10,c:21,t:4|
71923 CN(C)c1nc(N)nc(CSc2nnnn2-c2ccc(F)cc2)n1
71924 O=S(Cc1cc(Sc2ccccc2)nc(n1)-c1ccccc1)c1ccccc1
71925 O=C(CCN1CCc2ccccc2C(C1)c1ccccc1)c1ccc2OCCOc2c1
71926 [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(\[#6]=[#6]2\[#6](=O)-[#7](-[#7-]\[#6]\2=[#7+]-2/[#6]-[#6]-[#8]-[#6]-[#6]-2)-c2ccc(cc2)-[#7+](-[#8-])=O)cc1
71927 CCOC(=O)C1C(NC(=O)NC1=CN1CCc2ccccc12)c1ccc(Cl)cc1 |w:12.13|
71928 CCOC(=O)c1ccc(cc1)-n1c(O)cc(N2CCC(CC2)Nc2ccc(F)cc2)c1O
71929 COC(=O)Cc1ccc(NC(=O)c2ccc(C)c(C)c2)cc1
71930 O=c1[nH]c2ccccc2n1CCC1CCCCC1
71931 N#C\C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1
71932 NC(=O)c1cc2cc(Br)ccc2o\c1=N/Cc1ccccc1
71933 CS(=O)(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1
71934 COC(=O)c1cn(CCOc2ccc(C)cc2)c2ccccc12
71935 CCOC(=O)NC(=O)C(=NNc1c(F)cccc1F)C#N |w:9.9|
71936 COc1cc(CC=C)ccc1OCC(O)CO
71937 CCOc1ccc(cc1)-n1c2nc(SCC(=O)NC(C)CC)[nH]c(=O)c2sc1=S
71938 CCOC(=O)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)cc1
71939 C\C(\C=C\c1cccs1)=C/C(O)=O
71940 Oc1ccc2ccccc2c1CN1CCN(CC1)c1ccccc1
71941 COC(=O)CCC(=O)C1=C(N)CC(C)(C)CC1=O |c:8|
71942 CCCN1CCN(CC1)C(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1
71943 Cc1cc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCOCC2)[nH]n1
71944 Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1
71945 [H]C12CC([H])(C=C1)C1C2C(=O)N(C(C)C(=O)OCC(=O)c2cccc(OC)c2)C1=O |c:5,TLB:28:7:2:6.5,THB:9:8:2:6.5|
71946 Cc1ccc(o1)C(=O)Nc1nnc(s1)C1CCCCC1
71947 C\C=C\c1c(F)c(F)c(Oc2ccc(cc2)C(O)=O)c(F)c1F
71948 COc1cc(cc(OC)c1OC)-c1cn(nc1N)S(=O)(=O)c1cccc2nsnc12
71949 Clc1ccc(OCCn2c(nc3ccccc23)-c2ccco2)cc1
71950 CC1=C(\C=C\C(O)=O)C(C)(C)CCC1 |c:1|
71951 Clc1ccc(CCNc2nc3ccccc3n3nnnc23)cc1
71952 COc1ccc(cc1)-c1csc(=[NH+]NC(=O)Nc2ccccc2)n1CC=C |w:12.13|
71953 CCc1ccc(NC(=O)CSc2nc3nnc(C)c3c(N)n2-c2cccc(OC)c2)cc1
71954 CCOC(=O)C1CCCN(C1)C(=O)c1sc2nc(C)nc(N(CC)CC)c2c1C
71955 Cc1ccc(NC(=NOCc2ccc(Cl)cc2Cl)c2nonc2N)c(C)c1 |w:7.7|
71956 C=CCn1c2nnc(Nc3ccccc3)n2c2sc3CCCCc3c2c1=O
71957 Cc1cccc(NCc2nc3ccccc3n2C)c1
71958 Brc1ccc(cc1)N1CNC(=NC1=S)c1ccccc1 |c:11|
71959 [H]C12CCN(CC1)C1=C2NC(=S)NC1c1ccc(F)cc1 |c:8,TLB:13:7:2.3:6.5,THB:9:8:2.3:6.5|
71960 Cc1ccc(cc1)-c1cn(nc1N)S(=O)(=O)c1ccc(C)cc1
71961 C\C(Cl)=C\Cc1c(C)nc2ccc(C)cc2c1O
71962 Fc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc(Cl)c1
71963 Cc1ccc(cc1C)N(Cc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O
71964 Oc1c(CC(=O)NCc2ccccc2)c(=O)[nH]c2ccccc12
71965 CN(C)CCCCNCCCNC(=O)CN=O
71966 Cc1ccc(cc1)S(=O)(=O)NCCOc1nc(nc(n1)N1CCOCC1)N1CCOCC1
71967 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)NCCOC
71968 O=C(N1CCc2ccccc12)c1ccc2c(c1)[nH]c(=S)n(C1CCCC1)c2=O
71969 CCOc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)cc1
71970 Fc1cccc(Cl)c1CN1C(=O)S\C(=C/c2ccc(o2)N2CCOCC2)C1=O
71971 COc1ccc(cc1OC)-c1nc(Cn2c(SCc3ccc(F)cc3)nc3ccncc23)c(C)o1
71972 CC(N1CC(CC1=O)C(=O)N1CCN(CC1)c1ccc(F)cc1)c1ccccc1
71973 CCN(CC)CCCn1c(=S)[nH]c2ncccc2c1=O
71974 CCCCCCC1CCC(CC1)C(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)OC |(3.08,-10.4,;4.41,-9.63,;4.41,-8.09,;5.75,-7.32,;5.75,-5.78,;7.08,-5.01,;7.08,-3.47,;8.41,-2.7,;8.41,-1.16,;7.08,-.39,;5.75,-1.16,;5.75,-2.7,;7.08,1.16,;5.75,1.93,;8.41,1.93,;8.41,3.47,;7.08,4.24,;7.08,5.78,;5.75,6.55,;5.75,8.09,;9.75,4.24,;11.08,3.47,;9.75,5.78,;11.08,6.55,;12.42,5.78,;13.75,6.55,;12.42,4.24,;11.08,8.09,;9.75,8.86,;12.42,8.86,;12.42,10.4,)|
71975 CCCCc1nnc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)s1
71976 CN(C)CC(=O)N1c2ccccc2CCc2ccc(NC(C)=O)cc12
71977 CC(C)(C)Cc1nc2ccccc2n1CCc1ccccc1
71978 CC(=O)c1cccc(c1)N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O
71979 COC(=O)C(C)N(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1c(C)cccc1C
71980 COC(=O)C([CH+][N-]OCc1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(Cl)cc1Cl
71981 CCOc1ccccc1CNCCN1CCOCC1
71982 COC(=O)C(C=Nc1ccccc1N)c1ncc(cc1Cl)C(F)(F)F |w:6.6|
71983 CCC(C)C(=O)Nc1ncc2C(=O)CC(Cc2n1)c1cccs1
71984 CC(=NNC(=O)CC1N=C(Cc2ccccc2)NNC1=O)c1ccc(C)cc1 |w:2.2,t:8|
71985 COc1cccc(c1O)-c1nc(N2CCN(CC2)c2ccccc2)c2ccccc2n1
71986 CCOc1cc(C=NNC(=O)Cn2nc(cc2C)[N+]([O-])=O)cc(Br)c1OCc1ccccc1C
71987 CCOc1ccc(CN(CCCl)CCCl)cc1C(=O)OC
71988 CCOC(=O)c1sc(C)c2c1NC(C)(NC2=O)c1cccc2ccccc12
71989 CCc1nc(SCC(=O)c2ccc(Cl)s2)c2oc3ccccc3c2n1
71990 COc1cc(cc(OC)c1OC)-c1nnc(SC\C=C\c2ccccc2)n1N
71991 CCCc1[nH]nc2OC(=N)C(C(=O)OC)C3(C(=O)N(Cc4ccccc4)c4ccccc34)c12
71992 Nc1c(C(=O)NCC=C)c2nc3ccccc3nc2n1Cc1ccco1
71993 CC1=CC(C)(C)NC(=S)N1c1cccc(C)c1 |t:1|
71994 CCOc1ncccc1C(=O)N(C)CC1COc2ccccc2O1
71995 [#6]-[#6]-[#8]P(=O)([#6](\[#7]-[#6](=O)-c1ccccc1Cl)=[#6](/Cl)Cl)c1ccccc1
71996 O=C(CCc1ccc(cc1)S(=O)(=O)N1CCOCC1)N1CCN(Cc2ccc3OCOc3c2)CC1
71997 COc1cccc(Sc2ccccc2C=NNC(N)=O)c1 |w:15.16|
71998 C(Sc1nnc([nH]1)-c1cccs1)c1csc(n1)-c1ccccc1
71999 COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
72000 CN1C(=O)c2ccccc2OC11Oc2c(\C=C\C(=O)c3ccccc3)cc(C)cc2C=C1 |c:34|
72001 Cc1cc(C)cc(NC(=O)CN2C(=O)NC(C)(C2=O)c2ccccc2)c1
72002 Fc1ccc(C=C2CCCC3C(c4ccc(F)cc4)n4ncnc4N=C23)cc1 |w:5.4,t:26|
72003 CCN(CC(=O)NC(C)C)Cc1nc2sc3CCCc3c2c(=O)[nH]1
72004 Cc1ccc(cc1)-c1[nH]c2ccccc2c1C(C[N+]([O-])=O)c1ccco1
72005 CCCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2ccccc2c1=O
72006 [H]C12CC(N(O1)C(C)(C2)c1ccccc1)c1ccccc1 |TLB:7:6:5:3.2,9:6:5:3.2,THB:15:3:5:6.8|
72007 COc1cc2[nH]c(=S)n(Cc3ccco3)c(=O)c2cc1OC
72008 N[n+]1cnn[c-]1\[NH+]=N\[CH-]c1cc(c(Cl)cc1Cl)[N+]([O-])=O
72009 Cc1ccc(NC(=O)Cn2c(CCC(O)=O)ccc2-c2cccs2)cc1
72010 Fc1ccccc1N1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)NCc1ccco1
72011 CC(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
72012 CCN(CC)S(=O)(=O)c1cc(ccc1NNC(=O)Nc1ccccc1OC)[N+]([O-])=O
72013 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cccc2ccccc12
72014 O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)nc1CCCCCn1c2=O
72015 COc1ccc(Cl)cc1N1C(=O)\C(=C/c2sccc2C)N=C1SCC(=O)NC1CC1 |c:22|
72016 COc1ccc(cc1)S(=O)(=O)Nc1cc2c3c(CCCC3=O)oc2c2ccccc12
72017 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)N1C(=O)Cc2c1nc(N)c1c(N)nc(N(CC)CC(C)=C)c(C#N)c21 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
72018 Cc1csc(n1)-c1cnn(c1NC(=O)c1cccc(c1)C(F)(F)F)-c1ccccc1
72019 CCCCC(=O)OCC(=O)c1[nH]c(C)c(C(=O)OCC)c1C
72020 OC(=O)CSc1nnnn1-c1ccc2OCCOc2c1
72021 COc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)N1CC(C)CC(C)C1
72022 COc1cc(C=C2SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)ccc1O |w:5.4|
72023 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)CCCSc1nc2ccccc2[nH]1
72024 Cc1cc2oc(=O)cc(CSc3nc(N)cc(N)n3)c2cc1C
72025 Clc1ccc(Oc2ccccc2)c(NC(=O)Cn2ccsc2=N)c1
72026 Oc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.9|
72027 COc1ccc(cc1)C(=O)Cn1c(nc2ccccc12)C(=O)C=Cc1ccccc1 |w:22.24|
72028 CCOC(=O)COc1ccc(\C=C2\S\C(=N/c3ccccc3)N(Cc3cccnc3)C2=O)cc1OC
72029 COc1cccc(c1)C1[C-](C(=[NH2+])Oc2c1c(=O)oc1ccccc21)[N+]([O-])=O
72030 Cc1cc(C)nc(Sc2nc(Cl)nc(n2)N(c2ccccc2)c2ccccc2)n1
72031 CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(CC(C)=O)c(Br)c(OC)c(O)c12
72032 COC(=O)C(NNc1ccccc1C)(NC(=O)c1ccc(F)cc1)C(F)(F)F
72033 COc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccc(Cl)nc1
72034 CC(NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc2CCCCc2c1
72035 [H]C12C=CC([H])(C3C1C(=O)N(C3=O)c1ccc(C)cc1C)C1=C(CC3C(C21)C(=O)N(C3=O)c1ccc(C)cc1C)c1ccccc1 |c:2,t:24,TLB:11:6:26.21:2.3,22:21:7.6:2.3,THB:8:7:26.21:2.3,25:26:7.6:2.3|
72036 COc1ccc(cc1)C(O)(C(=O)NNc1ccc(C)cc1)c1cccs1
72037 CCCCNC(=S)NNC(=O)c1csc2ccccc12
72038 COc1cnn(-c2cc(Oc3ccc(C)cc3)ncn2)c(=O)c1Cl
72039 Cc1ccc(cc1C)-c1cc(C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c2ccccc2n1 |c:15|
72040 CC1CC(C)CN(C1)C(=O)\C=C\c1ccc(C)o1
72041 Nc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
72042 COCCCn1c(Cc2csc(Nc3ccc(F)cc3)n2)nnc1SCC(N)=O
72043 COc1cc(\C=C\C(=O)c2c(O)ccc3c(C)cc(=O)oc23)ccc1O
72044 COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 |c:4,t:7|
72045 OCC(CO)(CO)NC(=O)c1coc(=O)c(Br)c1
72046 Fc1ccc(cc1)S(=O)(=O)Nc1nc2NC(=O)CC(c3ccc(Cl)cc3)n2n1
72047 CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(OC)c4)n3N)ccc12
72048 CN(C)c1ccc(CNC(=O)c2ccc(CNc3c(N4CCCCC4)c(=O)c3=O)cc2)cc1
72049 Brc1ccc2[nH]c(=S)n(CCCC(=O)NCC3CCCO3)c(=O)c2c1
72050 COC(=O)c1cn(NC(=O)C2CCC(C)CC2)c(=O)c2ccccc12 |(11.08,-4.62,;11.08,-3.08,;12.42,-2.31,;13.75,-3.08,;12.42,-.77,;11.08,,;11.08,1.54,;9.75,2.31,;8.41,1.54,;8.41,,;7.08,2.31,;5.75,1.54,;4.41,2.31,;4.41,3.85,;3.08,4.62,;5.75,4.62,;7.08,3.85,;12.42,2.31,;12.42,3.85,;13.75,1.54,;15.13,2.36,;16.52,1.57,;16.52,-.03,;15.13,-.82,;13.75,,)|
72051 COc1cc(CN=Nc2snc(SC)c2C#N)ccc1O |w:6.5|
72052 OC(CNCc1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
72053 FC(F)(F)c1cnc(NCC(CC#N)OC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1
72054 CCOC(=O)c1cnc(nc1Oc1ccc(C)cc1)-c1ccccc1
72055 COc1cccc(CSc2nnc(n2Cc2ccc(F)cc2)C(F)(F)F)c1
72056 N#Cc1cc(cnc1Sc1ccccc1)-c1ccccc1
72057 Cc1cc(C)n(Cc2ccc(Cl)cc2Cl)c(=O)c1S(=O)(=O)c1ccccc1
72058 Clc1ccc(CON=Cc2c(nc3SCCn23)-c2ccccc2)c(Cl)c1
72059 Cc1cccc(C=NNC(=O)c2csnn2)c1
72060 CCOC(=O)c1c(cn2ccccc12)-c1ccc(C)cc1
72061 Cc1ccc(NC(=O)c2c(Cl)n(C)c3ccccc23)cc1
72062 CCOC(=O)c1cc(NC(=O)c2cccc(Cl)c2)c(=O)oc1-c1ccccc1
72063 Clc1ccccc1NC(=O)N1CCC(=O)N1
72064 Clc1cccc(Cl)c1Cn1cccc(NC(=O)c2ccccc2Cl)c1=O
72065 Cc1ccc(cc1NC(=O)c1ccc2OCOc2c1)-c1nc2ccccc2[nH]1
72066 O=C(NN=CCCc1ccccc1)c1ccccc1 |w:3.2|
72067 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)Nc1sc2CCCc2c1C#N
72068 [O-][N+](=O)c1cc(c(cc1NCc1ccccc1)N1CCOCC1)[N+]([O-])=O
72069 CCOC(=O)\C=C\C(=O)N1CCc2ccccc12
72070 CCC(C)(C)NC(=O)C(N(Cc1cccs1)C(=O)c1ccc2OCCOc2c1)c1ccc(C)cc1
72071 COc1ccc2nc(Sc3c(nc(C)n3Cc3ccccc3)[N+]([O-])=O)[nH]c2c1
72072 [O-][N+](=O)c1ccc(CN(C(=O)c2ccco2)c2ccc(Br)cc2)cc1
72073 O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccco1)-c1ccccc1)c1cccs1
72074 CCc1cc(C(N2CCOCC2)c2ccccc2OC)c(NC(=O)c2ccccc2)s1
72075 CC1(C)CC(=O)C=C(C1)NNC(=O)CCCOc1ccc(Cl)cc1Cl |c:6|
72076 CC(N=Nc1nc(C)cc(n1)-c1ccccc1)c1ccc(C)o1 |w:3.3|
72077 [O-][N+](=O)c1cccc(c1)[C+]1CC(O[N-]1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
72078 Cc1cc(F)ccc1NCc1cc2OCOc2cc1[N+]([O-])=O
72079 CC(C)OC(=O)c1c(NC(=O)Cn2cnc(n2)[N+]([O-])=O)sc2CCCCc12
72080 CCc1nnc(N=NCc2ccccc2Cl)n1N |w:6.5|
72081 COc1ccc(OCc2nnnn2-c2ccccc2)cc1
72082 O=C(CSc1nnc(o1)-c1ccccc1)Nc1sc2CCCCc2c1C#N
72083 Cc1ccc(o1)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccccc1)C(=O)NC1CCCCC1
72084 COc1ccc(cc1)C(=O)NC1CCN(CC1)C(=S)NCc1ccco1
72085 O=C1N(OS(=O)(=O)c2ccccc2)C(=O)c2cccc3cccc1c23
72086 Cc1ccc[n+](CC(=O)Nc2ccc(cc2Cl)[N+]([O-])=O)c1
72087 COc1cc2CCN(C3CC4(C=CC(=O)C=C4)c(c23)c1OC)C(=O)c1ccccc1 |c:11,15|
72088 Cc1ccc(cc1)-c1csc(NC(=O)c2cccc(c2)[N+]([O-])=O)n1
72089 Clc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1
72090 COc1cc(\C=[NH+]\N2C(=O)c3ccccc3NC2(C)c2cccc(c2)[N+]([O-])=O)cc(Br)c1[O-]
72091 Cc1sc2nc(nc(SCC(=O)N3CCc4ccccc4C3)c2c1C)C1CC1
72092 Nc1nnnn1\N=C\c1ccc(Cl)c(c1)[N+]([O-])=O
72093 CCCCSc1nc(C)cc(SCC(=O)NN=Cc2cccc(OC)c2O)n1 |w:16.15|
72094 O=C(CSc1nnc(-c2ccccc2)c(n1)-c1ccccc1)N1CCc2ccccc12
72095 CCOC(=O)Cn1c(nc(c1-c1ccccc1)-c1ccccc1)S(=O)(=O)Cc1ccc(F)cc1
72096 COc1ccc(NC(=O)c2sccc2SCc2cccc(c2)C(F)(F)F)cc1
72097 NC(=O)c1ccc(n(Cc2cccc(Cl)c2)c1=O)C(F)(F)F
72098 C[O+]=N[CH-]c1cc(ccc1Sc1ccc(C)cc1)[N+]([O-])=O |w:1.0|
72099 FC(F)(F)c1cccc(Cn2nnnc2-c2cc(Cl)cc(Cl)c2)c1
72100 FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccc(Cl)cc4)n3n2)c(Cl)c1
72101 COc1ccccc1CNC(=O)c1csc(Cc2ccc(Cl)cc2)n1
72102 Clc1ccc(CSc2nnc(o2)-c2sccc2-n2cccc2)cc1
72103 CS\C(=N/C#N)N1CCN(CC1)c1ccc(Cl)cc1
72104 CC(Oc1ccc(Cl)cc1)C(=O)C=CN(C)C |w:12.12|
72105 FC(F)(F)c1ccc2N3CCCC3CN(c2c1)S(=O)(=O)c1cc(Cl)ccc1Cl
72106 FC(F)(F)c1ccc(Cn2cc(CCN3CCS(=O)(=O)CC3)c3ccccc23)cc1
72107 CN(CCOc1ccc(cc1)-c1ccn(n1)S(=O)(=O)c1c(C)cc(C)cc1C)c1ccccn1
72108 N(c1nnc(s1)-c1ccncc1)c1cccc2ccccc12
72109 CCc1ccc(cc1)N(C(C(=O)NCCC(C)C)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
72110 O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)c1ccccc1
72111 Cc1cc2n(C)cnc2c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C
72112 Cc1nn(C)c(Oc2ccccc2)c1CCNS(=O)(=O)c1ccc(Cl)cc1
72113 CN1c2ccccc2C(=O)C(C(=S)Nc2ccc(Cl)cc2)S1(=O)=O
72114 Nc1nc(Br)c2c(F)cccc2c1-c1ccc(Cl)cc1
72115 Cc1cc(C)cc(Oc2ccccc2\C=C/C(O)=O)c1
72116 CCOC(=O)CC1N(CCNC1=O)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
72117 CCOc1ccc(C=NNC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1
72118 COc1cc(cc(OC)c1OC)C(=O)Sc1ccc(Cl)cc1
72119 CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2ccc(Cl)cc2)cc1
72120 NC(Nc1ccccc1C(F)(F)F)=Nc1nc2CCCc2c(=O)[nH]1 |w:13.14|
72121 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccccc2)-c2ccccc2)-[#6](=O)-[#6]1
72122 Cc1ccc2oc(cc(=O)c2c1)C(Cl)(Cl)Cl
72123 Clc1ccc(Cn2cccc(C(=O)NNC(=S)NCC=C)c2=O)cc1Cl
72124 CC1=CC(C)(C)Nc2ccc(OC(=O)C(Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc12 |t:1|
72125 CCOC(=O)c1c(C)c(C)sc1N1C(=O)C=CC1=O |c:16|
72126 COC(=O)C1(O)CC(CC(C)C)=NN1C(=O)c1ccccc1 |c:11|
72127 COc1ccc(\C=C\C(=O)N(C(C)C)C(C)C)cc1Br
72128 [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
72129 [H]C12CC(=O)C([H])(C3C1C(=O)N(C3=O)c1ccc(NC(C)=O)cc1)c1ccccc21 |TLB:4:3:8.7:29.24,28:29:8.7:2.3,9:8:29.24:2.3,THB:25:24:8.7:2.3,12:7:29.24:2.3|
72130 COc1ccc2C(Nc3nc(cs3)-c3ccccc3)OC(=O)c2c1OC
72131 COC(=O)C=C1NC(=Nc2nc(C)cc(C)n2)N(C1=O)c1ccc(C)c(C)c1 |w:8.8,4.3|
72132 CC(=O)N=c1sccn1CC(=O)c1ccc(cc1)[N+]([O-])=O |w:3.2|
72133 C(N1CCN(CC1)N=Cc1cccnc1)c1cccc2ccccc12
72134 CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccccc2o1
72135 Cc1ccccc1OCCCC(=O)Nc1ccccc1C(F)(F)F
72136 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(cc1)N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
72137 CCOC(=O)COc1ccc(\C=C\[N+]([O-])=O)c(OCC(=O)OCC)c1
72138 Cc1nc2cc(C)ccn2c1C(=O)N\N=C\c1ccccc1[N+]([O-])=O
72139 Cc1ccc(cc1)-c1nn(-c2cc(Cl)ccc2[N+]([O-])=O)c(=O)c2ccccc12
72140 Cc1ccc(cc1)N(CCCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(c1)[N+]([O-])=O
72141 Clc1ccc(Cl)c(c1)C(=O)Oc1ccc(cc1Br)C(=S)N1CCOCC1
72142 [O-][N+](=O)c1cccc(Cl)c1N1CCN(CC1)C(=O)CSc1ccc(Cl)cc1
72143 CCOC(=O)C(C(Nc1ccc(Br)cc1)c1ccccc1)C(=O)OCC
72144 Cc1oc2ccc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2c1C(=O)Nc1ccccc1
72145 CC1CCCC(C)N1C(=S)Nc1ccc(cc1)C(C)=O
72146 Cc1cc(\C=C(\C#N)c2cccc(Cl)c2)c(C)n1C
72147 COc1ccccc1NC(=O)C1C(C2=C(CC(CC2=O)c2ccc(OC)c(OC)c2)N=C1C)c1coc2ccccc2c1=O |c:33,t:14|
72148 [O-][N+](=O)c1ccc(NC(=O)C2C(=C2c2ccccc2)c2ccccc2)cc1 |c:11|
72149 COc1cc(COCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc(OC)c1OC
72150 Cc1c(NC(=O)CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)c(=O)n(-c2ccccc2)n1C
72151 Cc1cnn(c1)-c1cc(N=NCc2cccc(F)c2)ncn1 |w:9.9|
72152 [O-][N+](=O)c1cc2C(=O)N(C(=O)c3cc(cc(c1)c23)[N+]([O-])=O)c1ccccn1
72153 Brc1ccc(cc1)-c1ccc(C=NNC(=S)NCC=C)o1 |w:12.13|
72154 Oc1ccc(NC(=O)C2(CCCC2)c2ccc(Cl)cc2)cc1-c1nc2ccccc2o1
72155 COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=Cc2sccc2C)cc1 |w:20.20,6.5|
72156 COc1ccc(OP(C)(=O)Nc2ccccc2Br)cc1
72157 [O-][N+](=O)c1cc(ccc1Cl)C(=O)NCCc1nc2ccccc2[nH]1
72158 CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1
72159 O=c1n(CCC2=CCCCC2)c(=S)[nH]c2ccccc12 |t:5|
72160 Cn1c(CCCOc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cccc(F)c1
72161 [H]C12[#6]-[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7](-[#6]-3=O)-c1nc(c(-[#6])s1)-c1ccccc1)\[#6]2=[#6](/[#6])-[#6] |TLB:8:7:25:2.3,THB:11:6:25:2.3|
72162 O=C(CCN1C(=O)c2ccccc2C1=O)Nc1sc2CCCc2c1C(=O)NCC1CCCO1
72163 Cc1ccc(NC2OC(CO)C(O)C2O)cc1[N+]([O-])=O
72164 Oc1n(-c2ccc(F)cc2)c(=O)c2c([nH][nH]c12)C(=O)CCN1C(=O)c2ccccc2C1=O
72165 CCC(COC(=O)Nc1ccc(C)cc1)N1C(SCC1=O)c1ccc(Cl)cc1
72166 COC(=O)c1cccc(Cn2c(Cl)c(CN=Nc3ccccc3C)sc2=O)c1 |w:16.16|
72167 COc1ccc(cc1)-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccccc12
72168 Cn1c(CN2CCN(CC2)C(=O)c2ccc(F)cc2)nc2cc(ccc12)[N+]([O-])=O
72169 COC(=O)CN1C(c2ccccc2)c2cc(Cl)ccc2N=C1c1cccc(Cl)c1 |c:22|
72170 [O-][N+](=O)c1ccc(cc1)C(=O)COC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
72171 NC1=NC(=O)C(S1)=Cc1cn(Cc2ccccc2)c2ccccc12 |w:7.8,t:1|
72172 COC(=O)c1cc2n(ccc2n1Cc1ccc(cc1)C#N)-c1ccc(F)cc1
72173 CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(cc(C)c3C)C(C)(C)C)cc2)cc1
72174 Oc1ccccc1-c1cc([nH]n1)C(=O)Nc1c(oc2ccccc12)C(=O)c1ccccc1
72175 CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCCc1ccccc1
72176 COc1ccc(cc1)-n1c(SCc2ccc(cc2)[N+]([O-])=O)nnc1-c1ccc(C)cc1
72177 Cc1c(NC(=O)C(=C\c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)\C#N)c(=O)n(-c2ccccc2)n1C
72178 Clc1ccc(\C=C(/C#N)c2nc3ccccc3o2)cc1
72179 Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)C1c2ccccc2Oc2ccccc12
72180 Cc1cccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(=O)(=O)c2ccccc2)c1C
72181 Cc1nc2CCCCc2cc1C(=O)C=Cc1ccccc1F |w:13.14|
72182 CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1)S(C)(=O)=O
72183 CCc1ccccc1NC(=O)COc1ccc2c(c1)occ(Oc1cc(C)ccc1C)c2=O
72184 COC(=O)c1ccccc1NC(=S)N(Cc1ccc2OCOc2c1)Cc1cc2ccc(OC)cc2[nH]c1=O
72185 COc1ccc(cc1)C(C[N+]([O-])=O)C1(C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1
72186 CCCc1nc2ccc(NC(=O)c3cccs3)cc2c(=O)n1Cc1ccccc1Cl
72187 Brc1ccc2=NC(=NNC(c3cccnc3)=c2c1)c1cccs1 |c:6,16,t:4|
72188 CCOc1ccc(CC2S\C(=N/c3ccc(cc3)C(O)=O)N(CC=C)C2=O)cc1
72189 Cc1cc(C)c(C(=O)C=Cc2cccc3ccccc23)c(=O)[nH]1 |w:9.9|
72190 CC(=O)N1N=C(CC1c1ccccc1[N+]([O-])=O)c1ccccc1 |c:4|
72191 CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
72192 Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2nc(cs2)-c2ccccc2)n1-c1ccccc1
72193 [O-][N+](=O)c1ccc(cc1)-c1csc(Nc2ccccc2)[n+]1Cc1ccccc1
72194 COc1ccc(cc1)C(N(C(=O)CSc1nnc(-c2ccccc2)n1C)c1ccc(F)cc1)C(=O)NC(C)(C)C
72195 CCC(NC(=O)C(\NC(C)=O)=C/c1ccc2OCOc2c1)C(O)=O
72196 Cc1cc(C)c(c(C)c1)S(=O)(=O)Nc1cccc(\C=C\C(O)=O)c1
72197 COc1ccc(cc1)C(=O)\C=C\c1ccc(OC)c(Cn2nnc3ccccc23)c1
72198 O=C(NCc1ccco1)C(=C\c1cn(Cc2ccccc2)c2ccccc12)\C#N
72199 CC(CC(=O)Nc1cccc2CCCCc12)=NNC(=O)COc1ccccc1 |w:16.18|
72200 Cc1ccc(cc1)C(N1CCc2ccccc12)c1nnnn1C1CCCC1
72201 CCOC(=O)CSc1nc2c3cc(ccc3sc2c(=O)n1Cc1ccco1)[N+]([O-])=O
72202 COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)\C1=C/c1cc(OC)c(OC)c(OC)c1 |c:4|
72203 N(c1c(nc2ccccn12)-c1ccco1)c1ccccc1
72204 Cc1nc2ccccc2nc(C)c1=NOCc1ccccc1Cl |(9.72,1.22,;10.68,.02,;12.18,.36,;13.38,-.6,;14.76,.22,;16.16,-.57,;16.16,-2.17,;14.76,-2.97,;13.38,-2.14,;12.18,-3.1,;10.68,-2.76,;9.72,-3.96,;10.01,-1.37,;8.47,-1.37,;7.7,-.04,;6.16,-.04,;5.39,1.3,;6.16,2.63,;5.39,3.96,;3.85,3.96,;3.08,2.63,;3.85,1.3,;3.08,-.04,)|
72205 COc1cccc(c1)\[NH+]=C(/SCc1cccc(c1)[N+]([O-])=O)[C-](C#N)C(=O)NCc1cccs1
72206 COP(=O)(OC)c1nc(oc1NCc1ccccc1)-c1cccc2ccccc12
72207 [O-][N+](=O)c1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccn2)cc1
72208 [#6]-[#6]1=[#6]-[#6](=O)-[#6]=[#6](-[#6])\[#6]-1=[#7]\[#8]-[#6](=O)-[#6]=[#6]-c1ccccc1 |w:14.15,t:1,5|
72209 Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)CCCn1nc(c(Cl)c1C)[N+]([O-])=O
72210 CCc1ccccc1NC(=O)CC(c1ccc(OC)cc1)n1cccc1
72211 Brc1ccc(\C=C2\Cc3ccccc3C2=O)o1
72212 Cc1c(\N=C2/SCC(=O)N2N=Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C
72213 CCOC(=O)CC(NC(=O)C1c2ccccc2Oc2ccccc12)c1ccccc1Cl
72214 COc1ccc(NC(=O)CSc2nnc(Cn3cnc(n3)[N+]([O-])=O)n2C)cc1
72215 [O-][N+](=O)c1cccc(c1)C(=O)CSc1nnc[nH]1
72216 Cc1ccc(cc1)C(NC(=O)\C=C/c1ccc2OCOc2c1)C(=O)Nc1ccc2OCOc2c1
72217 COc1ccc2[nH]c(C)c(CCNc3ccc(cc3[N+]([O-])=O)C(F)(F)F)c2c1
72218 Cc1ccc(NC(=O)c2cc3c(s2)c2ccccc2oc3=O)nc1
72219 COC(=O)c1nnn(CC(=O)NC(=O)Nc2ccc(F)cc2)c1C(=O)OC
72220 Oc1c2CC=CCc2c(O)n1-c1ccc(NCCc2ccccc2)c(c1)[N+]([O-])=O |c:4|
72221 Cc1cc(C)n2nc(nc2n1)C(=O)NN=Cc1c2ccccc2cc2ccccc12
72222 CCOC(=O)C(Sc1nnnn1-c1ccc(C)cc1)=NNc1ccc(Cl)cc1 |w:19.21|
72223 Oc1cc2ccccc2c2C(C(C#N)C(=N)Oc12)c1ccsc1
72224 CCOC(=S)SCC(=O)N1CCc2cc(OC)c(OC)cc2C1C1C(=O)CC(C)(C)CC1=O
72225 CC(C)Nc1nc(Cl)nc(n1)N(CN1C(=O)c2ccccc2C1=O)C#N
72226 Cn1c2nc(N=NCc3ccc(OC(=O)c4ccco4)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O |w:5.4|
72227 CCC(=O)Nc1c(c2nc3ccccc3nc2n1C(C)c1ccccc1)S(=O)(=O)c1ccccc1
72228 [O-][N+](=O)c1ccc(Oc2ccc3ccc(=O)oc3c2)c(c1)[N+]([O-])=O
72229 CCCCCCCCCCCC[N+](C)(C)CC#CC
72230 Fc1ccc(cc1C(=O)Nc1cccc(Cl)c1)S(=O)(=O)NCCc1ccc(Cl)cc1
72231 CCCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccsc2c1=O
72232 CCCCOc1ccc(cc1)-c1nc(C=Nc2nccs2)c(O)o1 |w:15.16|
72233 COc1cc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc(OC)c1OC
72234 OCC(Cc1ccc(OC(F)F)cc1)(C#N)c1nc2ccccc2[nH]1
72235 Oc1cc(NNc2ccccc2)c(O)n1-c1ccccc1
72236 CCCCN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:9.9|
72237 CN(Cc1ccccc1)c1nc(N)c(c(NCc2ccccc2)n1)[N+]([O-])=O
72238 Cc1ccc(cc1)S(=O)(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12
72239 CCN(N=CC=Cc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1 |w:3.2,5.4|
72240 Cc1ccc(\C=C2/Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1
72241 CC(NC(=O)\C=C\c1ccco1)c1nc2ccccc2n1Cc1cccc(Cl)c1
72242 OC(=O)CSc1c([nH]c2ccccc12)-c1ccccc1
72243 Clc1ccc(\C=C\C(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)c(Cl)c1
72244 CCn1c(SCC(=O)NN=C\C=C\c2ccco2)nc2ccccc12
72245 [O-][N+](=O)c1cccc(C=CC(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1 |w:8.7|
72246 COc1ccc(cc1)C(CCNCc1ccccc1)c1ccc(F)cc1
72247 COC(=O)c1c(C)oc2ccc(cc12)N(C(=O)Oc1ccccc1)S(=O)(=O)c1ccccc1
72248 Clc1ccc(cc1)C1C2=C(CCCC2=O)N=c2sc(=Cc3ccc4ccncc4c3)c(=O)n12 |w:19.21,t:9,17|
72249 COc1ccc(NC(=O)CSc2nc(N)c3cc4CCCCc4nc3n2)cc1
72250 CNc1nc(Nc2ccc(C)c(Cl)c2)nc(N)c1[N+]([O-])=O
72251 CCOc1ccc(cc1)S(=O)(=O)c1c(cnc2cc3OCCOc3cc12)C(=O)c1ccccc1
72252 CCOc1ccc2ncc(c(N3CCC4(CC3)OCCO4)c2c1)S(=O)(=O)c1ccc(C)cc1
72253 Cc1ccc(Cn2cc(c(=O)c3cc(F)ccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1
72254 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCc1nnc(SCc2ccccc2)n1-c1ccccc1 |TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
72255 COc1cc2CCN(Cc2cc1OC)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
72256 CCCn1nc(c(C(C#N)c2nc3ccccc3o2)c(Cl)c1=O)[N+]([O-])=O
72257 O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1c[nH]c2ccccc12
72258 COc1cc(NC(=O)C2=C(N3CCOCC3)\C(CC2)=C/c2ccc(Br)cc2)cc(OC)c1OC |c:8|
72259 CC(C)CCCC(C)NC(=S)Nc1cc(ccc1C)S(=O)(=O)N(C)C
72260 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)C(=O)N(C)C
72261 Clc1ccc(NC(=O)CC2S\C(=N/CCc3ccccc3)N(N=Cc3cccs3)C2=O)cc1
72262 Cc1ccc(OCc2ccc(cc2)C#N)c(c1)C(=O)c1cc(C#N)c(=O)n(c1)C1CC1
72263 CC(C)c1cccc(C)c1NC(=O)COC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1
72264 CCC(=NCc1ccc(Cl)c(Cl)c1)c1nc(oc1O)-c1ccco1 |w:3.3|
72265 CC1(C)CC(=O)C2=C(C1)n1c(nc(=N)c3ccccc13)C(C#N)C2c1ccc(Cl)cc1 |c:6|
72266 CN1C(=O)C(=NNC(=S)Nc2ccc(C)cc2)c2cc(ccc12)S(=O)(=O)N1CCOCC1 |w:5.5|
72267 Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|
72268 O=C1CC(CC(=C1)c1ccccc1)\C=C\c1ccccc1 |c:5|
72269 O=C(CN1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)Nc1sccc1C#N
72270 COc1ccc(NC(=O)COC(=O)\C=C\C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl
72271 [O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2cccc3ccccc23)cc1
72272 Nc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
72273 Oc1cc(N2C(=S)SC(=CC=Cc3ccccc3)C2=O)c(O)n1-c1ccccc1 |w:9.9,11.11|
72274 COCCNC(=S)NN=Cc1ccc(cc1)N1CCOCC1 |w:8.7|
72275 CCOC(=O)\C=C\C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
72276 Cc1ccc2c(CN3CCN(CC3)S(=O)(=O)\C=C\c3ccccc3)cc(=O)oc2c1
72277 CC(=O)n1c2C(C(C#N)C(=N)Oc2c2ccccc12)c1cccc(Cl)c1Cl
72278 N#C[#6]-[#6]-n1cc(\[#6]=[#6](\C#N)C#N)c(n1)-c1ccc(cc1)-c1ccccc1
72279 Clc1ccccc1-c1ccc(C=Nn2c(n[nH]c2=S)-c2ccccc2)o1 |w:12.13|
72280 CN(C)c1ccc(cc1)C(CNC(=O)c1ccccc1)c1c[nH]c2ccccc12
72281 Cc1ccccc1Nc1nc(N)nc(CSc2ccccc2)n1
72282 CC(Nc1cc(ccc1[N+]([O-])=O)N1CCNCC1)c1ccccc1
72283 Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F
72284 CC(=O)Nc1ccc(cc1)C1=NN(Cc2nnc(o2)-c2ccccc2)C(=O)SC1 |t:11|
72285 Brc1ccc(Cn2cc(C(=S)N3CCOCC3)c3ccccc23)cc1
72286 Nc1nnc(SCC(=O)Nc2ccc(cc2Br)[N+]([O-])=O)[nH]1
72287 Cc1cc2NC(=O)CC(c3cccc(c3)[N+]([O-])=O)c2cc1C
72288 CCN(Cc1ccccc1)C(=O)C1CCN(C\C(C)=C\c2ccccc2)CC1
72289 Cc1nn(c(N)c1C(c1c(C)nn(c1N)-c1ccccc1)c1ccc(C)cc1)-c1ccccc1
72290 FC(F)(F)C1(NC(=O)N(CC=C)C(S1)=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)c1ccccc1 |w:12.12|
72291 Nc1ccccc1Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
72292 CC1(C)CC(=O)C=C(C1)NC1=CC2OC(OCC2OC1=O)c1ccccc1 |c:6,t:11|
72293 FC(F)(F)c1cc(Cl)c2nnc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)n2c1
72294 Fc1cc(NCc2ccccc2)nc(NCc2ccccc2)n1
72295 [O-][N+](=O)c1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)c1
72296 CCOC(=O)c1cc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc(c1)C(=O)OCC
72297 CN(Cc1ccccc1)C(=O)NC(C(Cl)Cl)c1ccc(C)c(F)c1
72298 COc1cc(\C=C(/C#N)C(=O)NC2CCCCC2C)ccc1OS(=O)(=O)c1ccc(C)cc1
72299 Cc1ccccc1\N=C1/SC(CC(=O)Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccn1
72300 CCOC(=O)c1c(CC)c(C)sc1NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12
72301 COc1ccc(\C=C2\SC(=O)N(CCNC(=O)C3COc4ccccc4O3)C2=O)cc1
72302 Cc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c(C)c1
72303 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)c1
72304 Cc1sc2nc(CSc3cccc(c3)C(F)(F)F)[nH]c(=O)c2c1C
72305 CN(C(=O)COC(=O)c1cccc(c1)-c1ccc(OC(C)=O)cc1)c1ccccc1
72306 CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1ccc(Cl)cc1)\C#N
72307 COc1cc(\C=C\C(=O)N2C(=O)c3cccc(N)c3C2=O)cc(OC)c1OC
72308 Cc1cccc(C)c1NC(=O)COC(=O)c1cccc2C(=O)c3ccccc3C(=O)c12
72309 CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)\C=C\c1ccco1
72310 Cc1ncc(n1CCOC(=O)c1cc(Cl)cc(Cl)c1N)[N+]([O-])=O
72311 Clc1ccc(cc1)C(=O)NCC(=O)OCC(=O)NCCC1=CCCCC1 |t:21|
72312 COC(=O)c1ccc(OC(=O)CCN2C(=O)C3CCCCC3C2=O)cc1
72313 C1CC1NC1=NN=C(CS1)c1c[nH]c2ccccc12 |c:7,t:5|
72314 CC(C)NC(=O)NC(=O)COc1ccc(Br)cc1Br
72315 Cc1ccccc1-n1c(SCC(=O)NC2CCS(=O)(=O)C2)ncc1-c1ccc(Cl)cc1 |(11.82,-.7,;13.16,-1.47,;13.16,-3.01,;14.49,-3.78,;15.82,-3.01,;15.82,-1.47,;14.49,-.7,;14.49,.84,;13.24,1.74,;11.78,1.27,;10.63,2.3,;9.17,1.82,;8.85,.31,;8.03,2.85,;6.56,2.37,;5.31,3.28,;4.07,2.37,;4.54,.91,;3.08,.43,;4.54,-.63,;6.08,.91,;13.72,3.21,;15.26,3.21,;15.74,1.74,;17.2,1.27,;17.52,-.24,;18.98,-.72,;20.13,.31,;21.59,-.16,;19.81,1.82,;18.34,2.3,)|
72316 CC(C)c1cc2c(CC(=O)NCc3cccs3)coc2cc1C
72317 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1c2CC(C)C\C(=C/c3ccccc3)c2nc2ccccc12
72318 Cc1cccc(c1)-[n+]1c(C)cc(C)c2c1[nH]c(=O)[nH]c2=O
72319 Fc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccccc2)c2ccccc12
72320 COC(=O)C1C(NC(=S)N=C1C)c1ccc(o1)-c1cccc(Cl)c1 |c:9|
72321 COc1ccc(cc1)C(=O)Nc1cc(ccc1-n1cnc2ccccc12)C(F)(F)F
72322 OC(=O)c1cccnc1Sc1ccccc1
72323 CC(=O)NCCC(=O)Nc1nc(-c2cccs2)c(s1)-c1cccs1
72324 COc1cc(NC(=O)COC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)c(C)cc1[N+]([O-])=O
72325 Cc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)Nc2ccccc2Cl)o1
72326 CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2cccc(c2)S(=O)(=O)N2CCCCCC2)c1
72327 COc1ccc(\C=C\C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1O
72328 CCOC(=O)C(=Cc1ccc(Cl)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|
72329 Cc1cc(SC#N)cc(C)c1NC(=O)CCl
72330 Clc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
72331 Cc1ccc(cc1)-n1c(SCC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)nc2ccccc2c1=O
72332 CN1CC[C-](CC1)\N=[NH+]\c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1
72333 O=C(CN1C(=O)NC2(CCCc3ccccc23)C1=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
72334 Clc1cccc(Cl)c1NC(=O)COC(=O)COc1cccc(Br)c1
72335 Oc1ccccc1-c1[nH][nH]c(=O)c1C(C[N+]([O-])=O)c1ccccc1
72336 COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cnccn3)ccc2N2CCCC2)cc1
72337 Cn1c(CCC(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc(=O)c2ccccc12
72338 Oc1ccc(C=NNC(=S)Nc2cc(ccc2Cl)S(=O)(=O)N2CCOCC2)cc1 |w:6.6|
72339 CN(C)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)c2c(C)noc2C)c1
72340 COc1cc2c(cc1NC(=O)COC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C)oc1ccccc21
72341 CCc1cccc(CC)c1NC(=O)COC(=O)CC1N(CCc2ccccc12)S(=O)(=O)c1ccc(F)cc1
72342 CCNC(=S)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
72343 Cc1ccc(cc1)S(=O)(=O)NC1C(Sc2nncn2C)c2cccc3cccc1c23
72344 CCN(Cc1ccccc1)S(=O)(=O)c1cc(ccc1OC)C(=O)NCC1CCCCC1
72345 CCOC(=O)c1ccc(cc1)\N=c1/sc(cc(=O)n1-c1ccc(cc1)C(=O)OCC)C(=O)OC
72346 COc1ccc(cc1)C(C)=NNC(=S)NCc1ccco1 |w:10.11|
72347 Clc1ccc(C=NNC(=S)NCc2ccco2)cc1 |w:6.6|
72348 Brc1ccc(Br)c2[C@@H](CC=C)N[C@H](CC=C)Cc12
72349 Cc1oc(nc1CN1c2ccccc2C(=NCC1=O)c1ccccc1)-c1ccccc1Cl |c:16|
72350 [O-][N+](=O)c1n[nH]c(C(=O)Nc2ccn(Cc3ccccc3)n2)c1Cl
72351 Cc1cc(C)n2nc(N)c(\N=N\c3cccc(Cl)c3)c2n1
72352 CCOC(=O)C1=NN(C(=O)c2ccccc2)C(O)(C1)c1ccc(C)cc1 |t:5|
72353 COc1ccccc1Sc1ccccc1CC(C)N
72354 Fc1ccc(-[#16]-c2ccccc2-[#6]\[#7]=[#6]-2/[#7]-[#6]-[#6]-[#7]-2)cc1
72355 CC(C)c1ccc2N[C@@H]([C@@H]3CCO[C@@H]3c2c1)c1cccs1
72356 NC(=O)CCN1CCN(CCOC2Cc3cc(Cl)ccc3Sc3ccccc23)CC1
72357 CC1(C)CC(=O)C(=Cc2cccc(c2)[N+]([O-])=O)C(C)(C)N1 |w:7.7|
72358 Cn1ncc(Br)c1C(=O)N1CCOCC1
72359 CC(=O)c1nn(cc1C(=O)c1ccc(Cl)cc1)-c1cccc(Br)c1
72360 Cc1c(nnn1-c1ccccc1)-c1n[nH]c(=S)n1-c1ccc(cc1)C(F)(F)F
72361 CCCCOc1ccc(cc1)C(=O)NN=Cc1c[nH]nc1-c1ccc(OC)c(OC)c1 |w:14.14|
72362 ClC(Cl)c1nnc(-c2ccccc2)c(n1)-c1c[nH]c2ccccc12
72363 Clc1cc(Cl)c(=O)n(n1)-c1ccccc1
72364 Cc1nc2cc3nc([nH]c3cc2[nH]1)C(F)(F)F
72365 OC1CN(C(=O)c2ccccc2)C(=S)N1c1ccc(Cl)cc1
72366 Cc1onc(c1C(=O)NN=Cc1cccc(O)c1)-c1ccccc1
72367 Sc1ncc(Cc2ccccc2)s1
72368 Clc1ccc(SCCOCCNCC=C)cc1
72369 [O-][N+](=O)c1ccc(Sc2ccccc2)nc1
72370 Cc1ccc2nc(NCc3ccccc3)c(C=O)c(=O)n2c1
72371 COCCCNCCOc1ccc(C)cc1[N+]([O-])=O
72372 COc1cc(\C=C\C(=O)N2CCOCC2)ccc1OCc1ccccc1
72373 CNC(=S)NCCC(c1ccccc1)c1ccccc1
72374 FC(F)(F)c1cccc(NC(=S)NCc2ccccn2)c1
72375 CN(C)CCNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(o1)-c1cccc(Cl)c1
72376 CC1CN(CC(C)O1)C(=S)NC(=O)C1CCCCC1
72377 COc1ccc(NC(=S)c2ccc(cc2)N(C)C)cc1
72378 CCN(CC)C(=S)Nc1ccc(Cl)c(Cl)c1
72379 Fc1ccccc1NC(=S)N1CCN(CC1)c1ccccn1
72380 COc1cc(NC(=O)c2cc(ccc2Br)[N+]([O-])=O)ccc1NC(=O)c1ccco1
72381 CCNC(=S)NN=Cc1ccc(o1)-c1ccccc1 |w:6.5|
72382 COc1cc(C)c(cc1C)S(=O)(=O)N1CCN=C1c1ccccc1 |c:17|
72383 Cc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)s1
72384 CCOc1ccc(cc1)S(=O)(=O)NNC(=S)Nc1ccc(Br)cc1
72385 Cc1cccc(N2C(=O)CSC2=N)c1C
72386 COc1ccc(\C=C\C(=O)NCCCc2ccccc2)cc1
72387 Cc1ccc(cc1)C(=O)CNc1ccc(Cl)cc1
72388 CCOC(=O)C1C(NC(=O)N=C1c1ccccc1)c1cc(Br)c(O)c(OC)c1 |c:10|
72389 COc1ccc(cc1)-n1cc(CNCc2cccnc2)c(n1)-c1cccc(F)c1
72390 CSc1ccc(cc1)C(=O)C1CCCN(Cc2cccnc2)C1
72391 CCN(CC)CCn1nc2-c3ccccc3-c3cccc(c23)c1=O
72392 Cc1ccccc1N(C(C(=O)NC(C)(C)C)c1ccncc1)C(=O)c1csnn1
72393 O=C(CCc1nnc(CCCCc2ccccc2)o1)NCCN1CCCCC1=O
72394 CC(=O)N1CCC2(CC1)NN(C(=O)N2)c1ccccc1
72395 CCN1CC(CN(C)Cc2nc(COc3ccccc3)no2)CC1=O
72396 Cc1ccc(NC(=O)NC(=O)CSc2nnc(-c3ccccc3F)n2N)c(C)c1
72397 CCC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(F)cc1
72398 Cn1c(CNc2cccc(Cl)c2)nnc1SCC#N
72399 Fc1ccc(NC(=O)CC2N(CCN3CCOCC3)C(=S)N(Cc3ccccc3)C2=O)cc1
72400 Cc1cccc(C)c1OCC(=O)NN=C\C=C\c1ccco1
72401 Brc1ccc(cc1)-c1cn(CCc2ccccc2)c(=S)[nH]1
72402 CC1CCN(CC1)c1ccc(C=O)o1
72403 CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccccc1F
72404 CC(C)(c1ccccc1)c1ccc(OCCCN2CCNCC2)cc1
72405 CC(C)N(CC1CCC(=O)N1)Cc1nc(oc1C)-c1ccoc1
72406 Clc1ccccc1N1CCN(CC1)C(=S)NCc1ccco1
72407 Cn1c2ccccc2nc(\C=C\c2ccc(F)cc2)c1=O
72408 Cc1sc2nc(C)n(N=Cc3ccc(O)cc3O)c(=O)c2c1C |w:8.7|
72409 Oc1ccccc1NC(=S)NC(NC(=O)CF)C(Cl)(Cl)Cl
72410 Cc1nonc1OCCNCCNc1ccc(cc1Cl)[N+]([O-])=O
72411 COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
72412 CCOC(=O)C(=Cc1c[nH]c2ccc(cc12)S(=O)(=O)N(C)C)C(=O)OCC |(17.16,4.37,;15.65,4.05,;15.18,2.58,;13.67,2.27,;12.64,3.41,;13.19,.8,;11.68,.48,;11.21,-.98,;12.1,-2.22,;11.21,-3.46,;9.75,-2.99,;8.41,-3.76,;7.08,-2.99,;7.08,-1.45,;8.41,-.68,;9.75,-1.45,;5.75,-.68,;4.98,-2.01,;6.52,.66,;4.41,.09,;3.08,-.68,;4.41,1.63,;14.22,-.34,;13.74,-1.81,;15.73,-.03,;16.76,-1.17,;18.26,-.85,)|
72413 CC1CCCN(C1)C(=O)c1ccccc1OC1CCN(CC1)S(C)(=O)=O
72414 CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cc3OCOc3c(OC)c2)CC1
72415 CCC(CO)NCC#Cc1ccccc1
72416 COCC(C)NC(=O)C(=C\c1ccccc1)\c1ccccc1
72417 CCc1ccc(CN2C(C(=O)NCC3CCCO3)c3ccccc3C2=O)cc1
72418 OC1(CC(=NN1C(=O)Cc1ccc(cc1)[N+]([O-])=O)C1CC1)C(F)(F)F |c:3|
72419 Cc1nonc1C1CCCN1Cc1c[nH]nc1-c1ccc(cc1)-c1ccccc1
72420 CCc1cc2c(SCC#N)ncnc2s1
72421 CN(Cc1cccc2ccccc12)C(=O)CCc1nnc(o1)-c1cc(C)on1
72422 Oc1cc(N2CCC(CC2)c2nc3ccccc3[nH]2)c(O)n1-c1ccccc1F |(17.88,2.66,;16.63,1.75,;15.17,2.23,;14.26,.98,;12.72,.98,;11.95,2.32,;10.41,2.32,;9.64,.98,;10.41,-.35,;11.95,-.35,;8.1,.98,;7.2,-.26,;5.75,.21,;4.41,-.56,;3.08,.21,;3.08,1.75,;4.41,2.52,;5.75,1.75,;7.2,2.22,;15.17,-.26,;14.69,-1.73,;16.63,.21,;17.88,-.69,;19.29,-.07,;20.53,-.97,;20.37,-2.5,;18.96,-3.13,;17.72,-2.22,;16.31,-2.85,)|
72423 COc1ccc(c(C)c1C)S(=O)(=O)Nc1ccncc1
72424 NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2cccs2)c2ccccc2)c1N
72425 CC(C)CCNC=C1C(=O)CC(CC1=O)c1ccccc1 |(3.08,-7.01,;4.41,-6.24,;5.75,-7.01,;4.41,-4.7,;5.75,-3.93,;5.75,-2.39,;7.08,-1.62,;7.08,-.08,;8.41,.69,;9.75,-.08,;8.41,2.23,;7.08,3,;5.75,2.23,;5.75,.69,;4.41,-.08,;7.85,4.34,;7.08,5.67,;7.85,7.01,;9.39,7.01,;10.16,5.67,;9.39,4.34,)|
72426 Brc1ccc(CSCC(=O)N2CCCC2)cc1
72427 CCOC(=O)C1C(C(C)C(=O)c2ccc(C)cc2C)C(C)(C)OC1=O
72428 COc1ccc(CCNC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1OC
72429 Fc1ccccc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F
72430 OC[C@@H](O)C1OC2NC(=S)OC2C1O
72431 CCOC(=O)C(C)Oc1cc(Cl)c(C=O)cc1OC
72432 Cc1[nH]n(-c2ccccc2)c(=O)c1C=NCCc1ccccc1 |w:14.16|
72433 CC1CCCCN1C(=O)COc1ccccc1F
72434 COc1ccccc1-c1ccc(SCC(=O)Nc2cc(C)on2)nn1
72435 COC(CNC(=O)C1CCCN(C1)S(=O)(=O)c1c(C)noc1\C=C\c1cccs1)OC
72436 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)\C=C\c1ccc(OC)c(CN2CCOCC2)c1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
72437 Fc1ccc(NC(=S)Nc2cc(Cl)ccc2Cl)cc1
72438 CCN(CC)c1ccc(cc1C(=O)N1CCOCC1)[N+]([O-])=O
72439 Fc1cccc(c1)-c1cc2nc3CCCc3c(=O)n2[nH]1
72440 Cc1ccc(cc1)-c1cc(c(C#N)c(SCC(O)=O)n1)C(F)(F)F
72441 CCC(C)NC(=O)c1nc2n(Cc3ccccc3Cl)nnc2c(=O)[nH]1
72442 NC(=N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1
72443 CCS(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
72444 Cc1ccsc1C(=O)C1CCCN(Cc2ccccc2O)C1
72445 CC(N(CCN(C)C)C(=S)Nc1cccc(C)c1)c1cccnc1
72446 COC(=O)N1C(C1c1ccccc1)c1ccccc1
72447 COc1ccc(CN(CC2CCC(CC2)C(O)=O)C(=S)Nc2cc(Cl)ccc2OC)cc1 |(16.42,-2.4,;15.08,-3.17,;13.75,-2.4,;12.42,-3.17,;11.08,-2.4,;11.08,-.86,;9.75,-.09,;8.41,-.86,;7.08,-.09,;7.08,1.45,;5.75,2.22,;5.75,3.76,;7.08,4.53,;8.41,3.76,;8.41,2.22,;7.08,6.07,;5.75,6.84,;8.41,6.84,;8.41,-2.4,;9.75,-3.17,;7.08,-3.17,;7.08,-4.71,;8.41,-5.48,;8.41,-7.02,;9.75,-7.79,;7.08,-7.79,;5.75,-7.02,;5.75,-5.48,;4.41,-4.71,;3.08,-5.48,;12.42,-.09,;13.75,-.86,)|
72448 Cc1cccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n23)c1
72449 COc1ccc(cc1OC)-c1c[nH][nH+]c1-[c-]1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1=O
72450 COc1cc(cc(OC)c1OC)C1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 |c:27|
72451 CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(CC1)C(=O)c1cc2ccccc2[nH]1
72452 Cc1nc(SCCOc2ccc(F)cc2)c2ccccc2n1
72453 COc1ccc(\C=C\C(=O)OC2CCCN(C)C2)cc1
72454 Cc1ccc(NC2=NC3(CCCC3)N=C(N)N2)c(C)c1 |t:6,14|
72455 CC(C)(C)NC(=O)c1ccc2CCc3cccc1c23
72456 COC(=O)c1sccc1NC(=O)Nc1cccc(F)c1
72457 COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCCC1
72458 CSc1cccc(c1)N1CCN(CCCNC(=S)Nc2ccc(F)cc2)CC1
72459 COC(=O)C1CCN(CC1)C(=O)Cc1c(OC)ccc2cc(Br)ccc12
72460 COc1cc(NC(=S)NC(C)(C)C)c(OC)cc1Cl
72461 CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C1c1cccs1)C(=O)OCC |c:18,t:5|
72462 COC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N1CCCC(C)C1
72463 CN1C(=O)CC(S\C1=N/c1ccc(C)c(C)c1)C(=O)NCCc1ccccc1
72464 OC(CNCc1cccc(Cl)c1)c1ccccc1
72465 N=c1n(CCCN2CCOCC2)cnc2n(Cc3ccco3)c(c(-c3ccccc3)c12)-c1ccccc1
72466 CC(C)C(=O)NC(=S)Nc1ccc(cc1C)-c1nc2ncccc2o1
72467 CC(=O)Cc1cc(O)c2ccccc2c1OC(=O)c1ccccc1
72468 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1
72469 Cc1cc(=O)[nH]c(SCc2nc3ccccc3c(=O)n2-c2ccccc2C)n1 |(3.08,1.16,;4.41,1.93,;4.41,3.47,;5.75,4.24,;5.75,5.78,;7.08,3.47,;7.08,1.93,;8.41,1.16,;8.41,-.39,;9.75,-1.16,;11.08,-.39,;12.42,-1.16,;13.79,-.33,;15.19,-1.12,;15.19,-2.73,;13.79,-3.52,;12.42,-2.7,;11.08,-3.47,;11.08,-5,;9.75,-2.7,;8.41,-3.47,;8.41,-5,;7.08,-5.78,;5.75,-5,;5.75,-3.47,;7.08,-2.7,;7.08,-1.16,;5.75,1.16,)|
72470 CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C)cc2)n1
72471 O=S(=O)(CC(CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1
72472 COc1ccc(NC(=S)Nc2ccccc2SC)c(OC)c1
72473 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)\N=C1\OC(CCl)CS1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
72474 CCOc1ccccc1CN1CCN(Cc2cn(C)nc2-c2ccccc2)CC1CCO
72475 COc1ccc(C(=O)C2CCCN(Cc3ccc(C)s3)C2)c(OC)c1
72476 FC(F)c1cc(nc2c(cnn12)C(=O)Nc1ccc(cc1)C(=O)N1CCOCC1)-c1ccccc1
72477 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)Nc1ccon1
72478 CC(=O)Nc1nnc(SCC(=O)c2ccc(F)cc2)s1
72479 Cc1nc(CN2CCN(Cc3nc(no3)C(c3ccccc3)c3ccccc3)CC2)cs1
72480 OCC1(CCCc2ccccc2)CCN(CC1)C1CCSCC1
72481 OCC1(CCOc2ccccc2)CCN(CC1)C(=O)Nc1cccc(Cl)c1
72482 Clc1cccc(CN2CCN(Cc3nc(CCc4ccccc4)no3)CC2)c1
72483 CC(C)CN1CCN(Cc2ccc(C)s2)CC1CCO
72484 COCCCNc1nc2nonc2nc1N1CCN(Cc2cccc(C)c2)CC1
72485 COc1ccc(cc1F)-c1n[nH]cc1CN1CCN(C2CCCCC2)C(=O)C1
72486 O=C(CCc1nnc(Cc2ccc(cc2)-c2ccccc2)o1)N1CCCC1
72487 OCC1(Cc2cccc(c2)C(F)(F)F)CCN(Cc2cc3ccccc3o2)CC1
72488 Cc1cc(Cl)ccc1C(=O)C1CCCN(C1)C(=O)c1cnsn1
72489 CN(CCC1CCCCO1)C(=O)CCc1nnc(CCCCc2ccccc2)o1
72490 Cc1cccc(n1)C1N(Cc2cnn(c2)-c2ccc(F)cc2)CCc2c1[nH]c1ccccc21
72491 Cc1ccc(cc1)-n1cc(CNCCN2CCOC2=O)c(n1)-c1cccc(C)c1
72492 O=C1C2CCCCC2C(=O)N1Cc1ccccc1
72493 Cc1ccc(cc1)N(CC(O)=O)c1sc(=O)n(c1O)-c1ccc(C)cc1
72494 CCOc1cc(\C=C2\SC(=S)N(CC3CCCO3)C2=O)ccc1O
72495 Clc1ccc(cc1)S(=O)(=O)NC1C(N2CCNCC2)c2cccc3cccc1c23
72496 Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)NCC3CCCO3)c(=O)[nH]c2c1
72497 [NH2+]=c1ccn(CC(=O)Nc2ccccc2)cc1
72498 Cc1ccc(OCC(=O)c2ccc(Cl)cc2)c(c1)N1C(=O)CCCC1=O
72499 CC12CN(CC(C)(CN(C1)C(=S)Nc1ccccc1)C2=O)C(=S)Nc1ccccc1
72500 CC(c1ccc(F)cc1)n1c(Cn2ncc3ccccc3c2=O)n[nH]c1=S
72501 CC(=O)NCCc1nc2ccccc2n1CCOc1cccc(C)c1
72502 Cc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1O |w:7.7|
72503 Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2cccs2)no1
72504 Brc1ccc(cc1)C(=O)N1CCCC(C1)c1nc(no1)-c1cccs1
72505 CCNC(=O)C(=O)NCc1ccncc1
72506 Clc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccccc2-c2ccccc2)n1
72507 Clc1nss\c1=N/c1ccc(Cl)cn1
72508 Clc1ccc(NC(=S)Nc2ccccc2)nc1
72509 Cn1c(cc2sccc12)C(=O)OC(C(=O)NC(C)(C)C)c1cccnc1
72510 Nc1cnn(Cc2ccc(F)cc2)c1
72511 BrC(=CCc1ccccc1)N=Nc1nc(nc(n1)N1CCOCC1)N1CCOCC1 |w:11.12,2.2|
72512 CC(C)(C)c1ccc(Cn2c3ccccc3n(CC(O)c3ccco3)c2=N)cc1
72513 Cc1[nH]c2ccccc2c1\C=C(/C#N)C(=O)NCC1CCCO1
72514 CCN(CC)C(=O)CSc1ncnc2sc(C)c(C)c12
72515 CCOC(=O)c1nnsc1Nc1ccc(C)c(C)c1
72516 CN(C)c1nc(NC(C)(C)C)nc(SCC(=O)Nc2ccccc2)n1
72517 CNc1nc(SC(C)C(=O)Nc2ccc(Cl)c(Cl)c2)nc(n1)N1CCOCC1
72518 Cc1cccc(c1)C(=O)NNC(=O)CCn1nnc2ccccc12
72519 C#CC[N+]1(CC#Cc2ccccc2)CCCCC1
72520 COc1ccc(Cl)cc1NC(=O)CCc1nc(no1)-c1ccccc1F
72521 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(Br)cn1
72522 Cc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)F
72523 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-c2ccc(cc2-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6](=O)-c2ccccc2)-[#6](=O)-[#6]1
72524 Oc1c(C=NCCC2=CCCCC2)c(=O)[nH]c(=O)n1-c1ccccc1F |w:4.4,t:7,(8.41,-2.7,;9.75,-1.93,;9.75,-.39,;8.41,.39,;8.41,1.93,;7.08,2.7,;7.08,4.24,;5.75,5.01,;4.41,4.24,;3.08,5.01,;3.08,6.55,;4.41,7.32,;5.75,6.55,;11.08,.39,;11.08,1.93,;12.42,-.39,;12.42,-1.93,;13.75,-2.7,;11.08,-2.7,;11.08,-4.24,;12.42,-5.01,;12.42,-6.55,;11.08,-7.32,;9.75,-6.55,;9.75,-5.01,;8.41,-4.24,)|
72525 COc1ccc(cc1OC)C1CC(=NN1c1nc(C)c(s1)C(C)=O)c1cccs1 |c:13|
72526 Cc1cccc(CN(C(=S)Nc2c(C)cccc2C)c2cccnc2)c1
72527 CCCCCNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 |(3.08,1.54,;4.41,.77,;5.75,1.54,;7.08,.77,;8.41,1.54,;9.75,.77,;11.08,1.54,;11.08,3.08,;12.42,.77,;13.75,1.54,;15.08,.77,;15.08,-.77,;16.42,-1.54,;17.75,-.77,;17.75,.77,;16.42,1.54,;19.08,1.54,;20.42,.77,;21.8,1.59,;23.19,.8,;23.19,-.8,;21.8,-1.59,;20.42,-.77,;19.08,-1.54,;19.08,-3.08,;13.75,-1.54,;12.42,-.77,)|
72528 COc1cc2nc(=S)[nH]c(NCc3cccs3)c2cc1OC
72529 Cc1ccc(o1)-c1nc2ncccn2c1Nc1ccccc1C
72530 CC(OC(C)=O)C(=O)NS(=O)(=O)c1ccc(C)cc1
72531 COc1ccc(cc1)C1Nc2ccccc2C(=O)N1NS(=O)(=O)c1ccc(C)cc1
72532 Cc1ccc(C)c2c1Sc1ccc(cc1N=C2C)C(O)=O |c:17|
72533 COc1cccc(CNc2ccc(cc2Cl)[N+]([O-])=O)c1O
72534 OC(=O)c1cc(c(NCCC2=CCCCC2)c(c1)[N+]([O-])=O)[N+]([O-])=O |t:10|
72535 O=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1)N1CCN(CC1)c1ccccn1 |(12.42,4.62,;11.08,3.85,;11.08,2.31,;12.42,1.54,;12.42,,;11.08,-.77,;11.08,-2.31,;12.42,-3.08,;12.42,-4.62,;10.88,-4.62,;13.96,-4.62,;12.42,-6.16,;11.08,-6.93,;11.08,-8.47,;12.42,-9.24,;13.75,-8.47,;15.21,-8.94,;16.11,-7.7,;15.21,-6.46,;13.75,-6.93,;9.75,,;9.75,1.54,;9.75,4.62,;9.75,6.16,;8.41,6.93,;7.08,6.16,;7.08,4.62,;8.41,3.85,;5.75,6.93,;4.41,6.16,;3.08,6.93,;3.08,8.47,;4.41,9.24,;5.75,8.47,)|
72536 CN(c1ccc(C)c(c1)[N+]([O-])=O)S(=O)(=O)c1ccc(C)cc1
72537 CCOc1ccc(cc1)C1C2C(=O)CCCC2=Nc2ccc3ncccc3c12 |c:18|
72538 CN(C(=NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1
72539 COc1ccc(cc1OC)S(=O)(=O)NN=c1oc2c(OC)cccc2cc1S(=O)(=O)c1ccc(C)cc1
72540 CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3cccc(c3)C(F)(F)F)c(C)c12
72541 FC(F)(F)c1cccc(NC(=O)CSC2=NCCN2)c1 |t:14|
72542 [O-][N+](=O)c1cccc(c1)-c1ccc2nnc(SCc3ccccn3)n2n1
72543 [O-][N+](=O)c1cccc(c1)-c1ncc2ccccn12
72544 CSc1nc(c(Cl)s1)S(=O)(=O)c1ccc(C)cc1
72545 FC(F)(F)c1cccc(c1)N1CCC(NC(=S)Nc2ccccc2)=N1 |c:25|
72546 CC(C)(C)c1[nH]ncc1[N+]([O-])=O
72547 Cc1cccc(c1)C(C#N)c1ccc(Cl)nn1
72548 CN(C)\C=C(\C(=O)c1ccccc1)S(=O)(=O)c1ccccc1
72549 CN(C)\C=C\C(=O)c1cccc(Oc2ncccn2)c1
72550 CC1(C)CN(C1=O)c1cccc(Br)c1
72551 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccc(OCC)cc1)N2CC(C)C
72552 Cn1c(CO)cnc1SCC(=O)c1ccc(Cl)cc1
72553 [H]C12C=CC([H])(C3C1C(=O)N(CCc1ccc(OC)c(OC)c1)C3=O)C21CC1 |c:2,TLB:8:7:25:2.3,THB:23:6:25:2.3|
72554 O=C1CCC(C=Cc2ccccc2)=NN1 |w:5.4,c:13|
72555 Cc1cc(C)c2c(NC(=O)C3CC3)nn(C)c2n1
72556 CN1CC(C(C1)c1c(F)cccc1Cl)C(=O)c1ccc(F)cc1
72557 Cc1cc2nc(CCN(C3CCCC3)C(=S)NCC3CCCO3)[nH]c2cc1C
72558 Cc1ccc(cc1)S(=O)(=O)c1c(C)cc(C)nc1N1CCCCC1
72559 Cc1ccc(cc1)S(=O)(=O)n1c2ccccc2oc1=O
72560 Clc1ccc(CSc2nc3ccsc3c(=O)[nH]2)cc1
72561 Cc1ccc(NN2C(=O)C=C(C2=O)c2ccccc2)cc1 |c:9|
72562 Cc1cccc(NN=C(C=O)C(=O)c2ccc(Br)cc2)c1 |w:7.6|
72563 Cc1nc(sc1C(=O)CBr)-c1ccc(Cl)cc1
72564 FC(F)(F)C(=O)Nc1cccn2ncnc12
72565 NC(CSCc1cccc(Br)c1)C(O)=O
72566 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)c1nc(nc(n1)N1CCCCC1)N1CCCCC1 |TLB:9:8:7:3.2.4|
72567 CCOc1ccc(cc1)-n1cc(O)c(c1N)-c1nc2ccccc2c(=O)[nH]1
72568 CNc1nc(cc(C)c1S(C)(=O)=O)-c1ccccc1
72569 Cc1cc2ncc(cn2n1)-c1ccc(C)cc1
72570 Cc1ccc(cc1)C(=O)NNC(=O)c1ccccc1-n1cccc1
72571 Cc1[nH][nH]c(=O)c1C=NCc1cccs1 |w:8.9|
72572 CCCCOC(=O)CCCc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
72573 Cc1nn(C(=O)C(N=Nc2ccccc2[N+]([O-])=O)C#N)c(C)c1C |w:8.8|
72574 COc1ccc(cc1)N(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccccc1 |t:16|
72575 Cn1cc(c(n1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1)[N+]([O-])=O
72576 Cc1nc(no1)C(N)=NOC(=O)Cc1ccccc1 |w:8.9|
72577 O=c1[nH]c(CSc2ccccn2)nc2c3ccccc3oc12
72578 CC(=O)C1C(C)=NC2(O)c3ccccc3C(=O)C12O |c:5|
72579 Cc1ccc(CNC(=O)CSc2ccsc2[N+]([O-])=O)cc1
72580 CC(=O)Nc1ccc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2ccc(C)c(C)c2)cc1
72581 COc1cccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2C)c1
72582 Nc1c(cnc2ncnn12)-c1ccsc1
72583 FC(F)(F)c1cccc(c1)-n1nc2c(cc1=O)[nH][nH]c2=O
72584 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)C2CC2)cc1 |c:11|
72585 CC(C)(C)NC(=O)NC(=O)CN1CCC(=CC1)c1ccccc1 |c:14|
72586 [#6]-[#7](-[#6])-c1nc(\[#6]=[#6](\C#N)C#N)c(Cl)n1-c1ccc(F)cc1
72587 COc1cccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)c1OC
72588 CC(C)N(Cc1ccccc1)C(=O)COC(=O)\C=C\c1cnc2ccccc2n1
72589 COc1ccccc1C(=O)CSc1nnc(o1)-c1ccco1
72590 FC(F)(F)C(=O)C(C#N)c1nnc2CCCCCn12
72591 COc1ccc(cc1)C(=O)NCC(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
72592 [O-][N+](=O)c1cccc(c1)-c1nnc(CNC2CC2)o1
72593 CC(CCc1ccccc1)NC(=O)CN1CCc2ccccc2C1
72594 CCc1ccc(NC(=O)COC(=O)\C=C\c2c(C)nn(C3CCS(=O)(=O)C3)c2Cl)cc1
72595 COc1ccc2c(C)cc(nc2c1)N1CCCCCC1
72596 CCOC(=O)c1sc2nc(C)nc(SCC(=O)NC3CCS(=O)(=O)C3)c2c1C
72597 COc1ccc(NC(=O)C(NCC(C)C)c2ccccc2)cc1Cl
72598 Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1N
72599 CSc1ccc(Cl)c(c1)C(=O)OCC(=O)N(C)CCC#N
72600 COc1ccc(cc1)C(=O)COC(=O)c1cccnc1SC
72601 C(NC1CCCC1)c1ccccc1OCc1ccccc1
72602 Brc1ccc(OCc2cn3ccccc3n2)cc1
72603 CCCCN(C(=O)C=Cc1ccco1)c1c(N)n(CCC)c(=O)[nH]c1=O |w:7.6|
72604 CC(C)(C)c1ccc(OCC(=O)NN2Cc3ccccc3C2=N)cc1
72605 COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(F)cc1)c1cccnc1 |c:15|
72606 Cc1ccccc1\[N+]([O-])=C\c1cccs1
72607 CP(=O)(OCCOc1ccccc1)OCCOc1ccccc1
72608 CC(Sc1nnc2ccccn12)C(N)=O
72609 Cc1ccc(C=NN(Cc2ccccc2)c2ccccc2)o1
72610 CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(o2)[N+]([O-])=O)c(=O)n(C)c1=O
72611 [O-][N+](=O)c1cccc(\C=C\C(=O)OCC(=O)NCc2ccco2)c1
72612 Brc1ccc(\C=C\C(=O)OCC(=O)NCCCN2CCCC2=O)o1
72613 CCOC(=S)SCC(=O)Nc1nc(C)c(C)s1
72614 Fc1ccc(cc1)C12CCC(=O)N1C(CS2)C(=O)OCC(=O)NC(=O)NC1CCCC1
72615 CCCNC(=O)NC(=O)CSc1cccc(c1)C(F)(F)F
72616 CC1=NC(=S)NC(C1C(=O)N1CCOCC1)c1c(C)cc(C)cc1C |t:1|
72617 COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(cc2)C#N)c(=O)[nH]c1=O
72618 COc1cc(CC(=O)N(c2nc(C)cs2)c2ccccc2)cc(OC)c1OC
72619 C=CCn1c(n[nH]c1=S)C1CCCCC1
72620 CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1c(F)cccc1F
72621 COC(=O)CC1N(CCNC1=O)C(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
72622 Cl.CC[C@@H](C)C(N)c1cn(nn1)[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)CC(C)C
72623 COc1cc(OC)c(cc1Cl)N(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nnc(s1)C1CC1
72624 Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1CC=C
72625 COc1ccc(O)c(c1)C(=O)c1cnc2n(Cc3ccccc3)c(=O)n(C)c(=O)c2c1
72626 COc1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl
72627 Clc1ccc(cc1)-c1nnc(CN2C(=O)C3CC=CCC3C2=O)o1 |c:18|
72628 CCOC(=O)C(C=Nc1ccc(cc1)C#N)C(=O)OCC |w:7.7|
72629 COCCCN(CC(O)=O)S(=O)(=O)c1cccc(Cl)c1
72630 Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1ccco1
72631 COc1ccc(CC\N=C(/NS(=O)(=O)c2ccccc2)c2ccccc2)cc1OC
72632 Cc1cc(=O)[nH]c(n1)-n1ncc(C#N)c1N
72633 CCOC(=O)C1CCCN(C1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCC1
72634 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ncnc2cc(ccc12)[N+]([O-])=O
72635 OC1C[C@H](N(C1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CCCCCC1
72636 CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)\C=C\c2ccc(Br)o2)ccc1C
72637 Cc1ccc(s1)C1=N\C(=C/c2c(C)[nH]c3ccccc23)C(=O)O1 |t:7|
72638 CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1n[nH]c2ccccc12
72639 CCOC(=O)c1sc(NC(=O)CCN2CCC(C)CC2)c(C(=O)OCC)c1C
72640 Clc1ccc(cc1)-c1nc(C=NN2CCOCC2)c2ccccn12
72641 NC(=O)CSC1=N\C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 |t:5|
72642 CCNc1ccc(cc1NCC(=O)Nc1ccccc1Br)S(=O)(=O)N(C)C
72643 CCc1nnc(NC(=O)C(NC(=O)c2ccccc2Cl)C(C)C)s1
72644 COC(=O)C1CCN(CC1)C(=O)COC(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCc2ccccc12
72645 Nn1c(SCC(=O)N2CCOCC2)nnc1C1CC1
72646 COc1ccc2ccc(O)c(CN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
72647 CN1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1
72648 CCN(CCCNC(=O)CCCN1C(=O)COc2ccc(C)cc12)c1cccc(C)c1
72649 CCc1ccc(OCc2nnc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)n2CC=C)cc1
72650 CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(c1)C(F)(F)F
72651 FC(F)Oc1ccccc1NC(=O)COC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1
72652 CN1CC(c2ccccn2)C2(SC(=S)N(Cc3ccco3)C2=O)C11C(=O)N(C)c2ccccc12
72653 CN1C(=O)N(C)C(=O)C2(Cc3c(nc4c(C)cccn4c3=O)N3CCC(Cc4ccccc4)CC23)C1=O
72654 Fc1ccccc1NC(=O)COC(=O)\C=C\C(=O)OCC(=O)Nc1ccccc1F
72655 Cc1ccc(NC(=O)c2sc(N)nc2-c2ccc(cc2)[N+]([O-])=O)c(C)c1
72656 CCC(N(C)C)c1nnc(SCC(=O)NCC=C)n1C1CCCCC1
72657 CC(Oc1ccccc1NC(C)=O)C(=O)N1CC(C)CC(C)C1
72658 [#6]-[#8]-c1cccc(-[#7]\[#7]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c1
72659 Clc1ccc(cc1)C(=O)Cc1nc2ccccc2[nH]c1=O
72660 Fc1ccc(\C=C(/NC(=O)c2ccco2)C(=O)NCCc2nc3ccccc3[nH]2)cc1
72661 Cc1cccc(c1)C1C2C(=O)c3ccccc3C2=NC2=C1C(=O)CCC2 |c:20,22|
72662 COC(=O)[C@H](CCSC)NC(=O)Nc1cccc(C)c1C
72663 COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1N
72664 CCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(\C)=C/C)c1 |c:14|
72665 COc1ccc(cc1)C(=O)Cn1c(C)nc(c1Br)[N+]([O-])=O
72666 CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 |c:19,t:8|
72667 CC(C)(CN)CC(O)=O
72668 CCN(CC)CCn1c2ccccc2c2nc3ccc(cc3cc12)[N+]([O-])=O
72669 Cc1c(C=NNC(=O)c2ccc(Br)o2)cnn1C |w:4.4|
72670 OC(=O)CC1C(N(C(=O)C1=Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 |w:10.11|
72671 COc1cc2CCN=C(CCc3ccccc3)c2cc1OC |t:7|
72672 CCC(Nc1ccc2CCCc2c1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:2.2|
72673 CC1(C)Cc2c(CO1)c(=S)n(c(N)c2C#N)-c1ccccc1
72674 CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1CCc1ccccc1
72675 CN1CCN(CC1)C(=O)c1cc2sc3ccccc3c2s1
72676 Cc1cc(OCC(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc(C)c1Cl
72677 CC1(C)CC(CCN)(Cc2ccccc2Cl)CCO1
72678 Cc1ccc(cc1)N1C(=O)CCC1(C#N)c1ccccc1
72679 Fc1ccccc1-c1nc2nc3ccccc3nc2n1CC1CCCO1
72680 CN1C(=O)C(C2CC(N=N2)c2ccc(Cl)cc2)C(=O)N(C)C1=O |c:8|
72681 NC(=O)c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
72682 O=C(CC1C=Cc2ccccc2N1C(=O)c1ccccc1)c1ccccc1 |c:4|
72683 CCCNC(=O)Nc1ccc(C)cc1C
72684 CCC1(C)N=C(N)Nc2nc3cc(C)c(C)cc3n12 |t:4|
72685 CC12CCC3C(CC=C4CC(O)CCC34C)C1CC(=CN1CCCC1)C2=O |t:7|
72686 O=C1N=C(Nc2nc3ccccc3[nH]2)c2ccccc12 |t:2|
72687 [O-][N+](=O)c1ccc(Sc2ncccn2)c(c1)[N+]([O-])=O
72688 CC1(C)N(C(=O)c2sc3ccccc3c2Cl)\C(SC1=C)=N\c1ccccc1Cl
72689 Clc1ccc(cn1)C(=O)NC(=S)N1CCN(C\C=C\c2ccccc2)CC1
72690 CC(C)OP(=O)(OC(C)C)C(=NOC(=O)c1ccccc1C)C(N)=O |w:11.11|
72691 COCCOC(=O)C1C(\C=C\c2ccccc2OC)C(C(=O)OCCOC)=C(C)N=C1C |c:30,t:27|
72692 O=C(NCc1ccccc1)C(\C#N)=C1/N=C(NC(=O)c2ccco2)c2ccccc12 |t:15|
72693 [H]C12C=CC([H])(C3C1C(=O)N(NC(=O)c1ccc(Cl)cc1)C3=O)C21CC1 |c:2,TLB:21:6:23:3.2,THB:8:7:23:3.2|
72694 CCCCOC(=O)CCc1c(C)n[nH]c1C
72695 CCOC(=O)c1c(CN2CCC(C)CC2)n(C)c2cc(Br)c(OC)cc12
72696 CC(=O)C(=NNc1ccc(Br)cc1)N1CCCc2ccccc12 |w:4.4|
72697 COc1nc(C)ccc1-c1noc(n1)-c1cccs1
72698 CCO[c-]1cc[c+]2[n-]c(COC(=O)c3cccc(c3)[N+]([O-])=O)c(C(C)=O)[n+](=O)c2c1
72699 CN(c1ccccc1)c1nc(N)c(c(n1)N1CCCCCC1)[N+]([O-])=O
72700 Nc1c2ccccc2nc2ccccc12
72701 COC(=O)Cn1c2ccc(OC)cc2c2nc(C)sc12
72702 CCCCn1cnc2c3cc4CCCCc4nc3oc2c1=O
72703 CCCCCn1c(SCc2cccc(C)c2)nc2n(C)c(=O)[nH]c(=O)c12
72704 CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12
72705 COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1S(=O)(=O)Nc1ccc(Br)cc1
72706 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CCSC1c1ccco1
72707 O=S1(=O)NC(=NCC(N2CCCCC2)c2ccco2)c2ccccc12 |w:5.5|
72708 COc1ccc(C)cc1-n1c(SCC(=O)Nc2cccc(c2)C(O)=O)nc2ccccc2c1=O |(5.75,-1.63,;7.08,-2.4,;7.08,-3.94,;5.75,-4.71,;5.75,-6.25,;7.08,-7.02,;7.08,-8.56,;8.41,-6.25,;8.41,-4.71,;9.75,-3.94,;9.75,-2.4,;8.41,-1.63,;8.41,-.09,;7.08,.68,;5.75,-.09,;7.08,2.22,;5.75,2.99,;4.41,2.22,;3.08,2.99,;3.08,4.53,;4.41,5.3,;5.75,4.53,;4.41,6.84,;3.08,7.61,;5.75,7.61,;11.08,-1.63,;12.42,-2.4,;13.79,-1.58,;15.19,-2.37,;15.19,-3.97,;13.79,-4.77,;12.42,-3.94,;11.08,-4.71,;11.08,-6.25,)|
72709 O=C(CN1C(=O)NC(Cc2c[nH]c3ccccc23)C1=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
72710 Cc1ccc(cc1C)C(=O)Cn1nc(C(O)=O)c2ccccc2c1=O
72711 Oc1ccc(cc1)N1CCN(CC1)C(=O)CCC(=O)c1ccc(Br)cc1
72712 COc1ccc(C=NNC(=O)c2cccnc2)c(C(O)=O)c1OC
72713 COc1ccc(cc1OC)C1CC(=O)c2cnc(nc2C1)N1CCc2ccccc12
72714 Nc1nnnn1CC(=O)NN=Cc1ccccn1
72715 Nc1nnc(CSCc2ccccc2Cl)s1
72716 CC(Cc1ccccc1)NCC(=O)Nc1cc(nc2ccccc12)N(C)C
72717 Cc1cc(C)cc(OCC(=O)O[N-]C(=[NH2+])Cc2ccc(cc2)[N+]([O-])=O)c1
72718 Cn1cc(C(=O)NN=Cc2cc(Br)cs2)c2ccccc12
72719 Cc1ccc2nc(SCC(=O)Nc3cccc(c3)S(=O)(=O)NC3=NCCCCC3)[nH]c2c1 |t:23|
72720 CC[C@H](C)C=C(C)C=CC(=O)Cc1cc(O)c(C)c(O)c1C=O |w:7.6,5.5|
72721 Cn1nnc2c[n+](CC(=O)c3ccc4ccccc4c3)cc(Br)c12
72722 COc1ccc(cc1)-n1c(=O)n(CC(N)=O)c2sc3CCCCCc3c2c1=O
72723 Brc1cnc2nc(SC\C=C\c3ccccc3)[nH]c2c1
72724 CC1=C(C#N)C(=O)N(CCO)C(=O)C1=NNc1ccc2C(=O)OCc2c1 |w:14.15,c:1|
72725 CC(=O)c1c(nc2ccc(Br)cc2c1-c1ccccc1)N1CCOCC1
72726 CC(=O)Nc1cccc(c1)-n1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1
72727 CN(C1CCN(C)CC1)C(=O)c1cc2c(C)cc(C)cc2[nH]1
72728 COC(=O)c1cnc2n(C)nc(C)c2c1OC
72729 Cc1ccc(NNC(=O)c2ccno2)c(C)c1
72730 Clc1ccc(SCc2csc(n2)N2CCOCC2)cc1
72731 Nc1nnc(SCc2c(F)cccc2Cl)s1
72732 COc1ccc(NC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1
72733 CCN(CC)C(=O)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1F
72734 [H]C12CCC([H])(C1)C(C2)NC(=S)NN=Cc1cccs1 |w:13.14,TLB:9:7:6:3.2|
72735 Cc1onc(c1NC(=O)N(CCC#N)Cc1ccccc1)-c1ccccc1
72736 CC(C)(C)C(=O)Nc1cccc(c1)-c1cc(no1)-c1c(Cl)cccc1Cl
72737 [H]C12CC(NC(=S)NN=Cc3cc(OC)c(OC)c(OC)c3)C([H])(C1)C=C2 |w:8.7,c:27,THB:4:3:24:25.26|
72738 Cc1nc(Sc2ccc(Br)cc2)c(C#N)c(C)c1[N+]([O-])=O
72739 [O-][N+](=O)c1ccc2C(CS(=O)(=O)c2c1)SCC(=O)NNC(=O)c1ccc(Cl)cc1
72740 COC(=O)c1cc(c(s1)S(C)=O)S(=O)(=O)C(C)C
72741 C1C2CCc3ccccc3C2=NN1c1ccccc1 |c:12|
72742 O=c1n2c(nnc2sc1=Cc1ccccc1)-c1cccs1
72743 Nc1sc(cc1-c1n[nH]c(=S)n1CC=C)-c1ccccc1
72744 CCc1cc(C(=O)c2ccc(OC)cc2)c(N)s1
72745 Cc1ccc(NNC(=O)c2cccs2)cc1Cl
72746 [O-][N+](=O)c1cc(ccc1N1CCCN(CC1)C(=O)Nc1ccccc1)C(F)(F)F
72747 C\C(=C/C(=O)Nc1cscc1C)C(O)=O
72748 Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cnn(c1C(F)(F)F)-c1ccc(Cl)cc1
72749 CSc1sc(C(=O)OC(C)C)c2CC(C)(C)CC(=O)c12
72750 [H]C12CC(NC(=S)NC3CCCCC3)C([H])(C1)C=C2 |c:19,THB:4:3:16:17.18|
72751 Fc1ccc(-c2nc(no2)-c2cnccn2)c(Cl)c1
72752 [H]C12CC(NC(=S)N(CCC)CCC)C([H])(C1)C=C2 |c:18,THB:4:3:16:17.18|
72754 CCOC(=O)N1CCC(CC1)NC(=O)c1cccs1
72755 COc1cccc(OCc2ccc(Cl)cc2)c1C#N
72756 CCn1nc(C)cc1C(=O)Sc1ccc(Cl)cc1Cl
72757 Cc1cc(Sc2nnc(N)s2)c2ccccc2n1
72758 CC(=NOC(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
72759 Cc1[nH]c2ccccc2c1CN1CCN(CC1)c1ccccn1
72760 CC1CC(=O)N(C(=O)C1)c1ccc(Br)cc1
72761 Clc1cccc(Cl)c1NNC(=O)C1CCC1
72762 Cc1ccc(F)cc1NC(=O)N1CCCN(CC1)c1ccc(cn1)C(F)(F)F
72763 CCOC(=O)CSc1cc(nc2ncnn12)-c1ccccc1
72764 NC(=O)COc1ccccc1
72765 CNC(=S)N(Cc1cccs1)Cc1ccc(Cl)cc1
72766 CC(=O)N1CSCC1C(=O)NNS(=O)(=O)c1cccc(c1)C(F)(F)F
72767 COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
72768 COCc1cc(=O)[nH]c(SCCS(=O)(=O)c2ccc(Cl)cc2Cl)n1
72769 Cc1onc(c1C(=O)N=C(N)c1ccc(cc1)C(F)(F)F)-c1ccccc1 |w:8.8|
72770 O=S(=O)(Nc1cccc2ccccc12)c1cccc2nonc12
72771 Cc1cn(Cc2ccccc2Cn2cc(C)c(=O)[nH]c2=O)c(=O)[nH]c1=O
72772 CSc1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
72773 Clc1ccc(C=NNC(=O)CN2c3ccccc3Sc3ccccc23)cc1
72774 CSc1sc(C(=O)Nc2ccc(F)cc2F)c2CCC=Cc12 |c:20|
72775 [O-][N+](=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)cs1
72776 Cn1c(SCC(=O)NNC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1
72777 [H]C12CC(NC(=S)NN\C=C3/C=CC=C(OC)C3=O)C([H])(C1)C1C=CCC21 |c:11,25,t:13,TLB:23:22:21:3.2,THB:4:3:26.22:21,25:26:21:3.2|
72778 COc1ccc(cc1)C1\C=C/CN([C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1)S(=O)(=O)\C=C\c1ccccc1 |c:10|
72779 Cc1ccccc1-c1cc(O)c2c(cccc2=O)o1
72780 COCOc1cc(O)c(C(=O)\C=C\c2ccccc2)c(OCOC)c1
72781 Brc1ccccc1-n1nnc(n1)-c1cnc2ccccc2c1
72782 [#6]\[#6]=[#6]-1/[#6]-[#8]C([#6]=[#6]-1\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#7]-[#6]-c1ccccc1)C(F)(F)F |c:6|
72783 CC(C)C(C)N(Cc1ccc(cc1)C(O)=O)C(=O)c1ccc2ccccc2n1
72784 CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
72785 Cc1nc2ccc(Br)cc2c(=O)n1Cc1cccs1
72786 COc1ccc2n(C)c(C)c(C(=O)CN3CCCCC3)c2c1
72787 Oc1cccnc1Sc1cccc(c1)C(F)(F)F
72788 CSc1cc(oc1C(=O)c1ccco1)-c1ccco1
72789 Oc1c(Br)cc(Br)cc1C=Nc1cccc2ncccc12 |w:10.11|
72790 CC(CNC(=O)c1ccc(C)c(c1)[N+]([O-])=O)NC(=O)c1ccc(C)c(c1)[N+]([O-])=O
72791 [H]C12CC([H])([C@H](C)C(C1)NC(=O)c1ccccc1)C2(C)C |THB:6:5:18:2|
72792 CCOc1ccc(CNc2ccc(cc2)N2CCN(Cc3ccccc3)CC2)cc1
72793 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NN(C)C1=NS(=O)(=O)c2ccccc12 |t:20|
72794 C(Cc1ccncc1)c1ccccc1
72795 COc1ccc(SCC2CN(C)CCC2c2ccc(F)cc2)cc1
72796 Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(C)cc1
72797 N#Cc1ccc(OCCN2CCc3ccccc3C2)cc1
72798 OC(=O)C(Cc1ccccc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
72799 O=C1N(CCN1c1ccccc1)c1ccccc1
72800 OC(COc1ccc(Br)cc1)CN1C(=O)c2ccccc2C1=O
72801 Clc1cccc(CCNC(=O)c2cc3ccccc3oc2=O)c1
72802 C=CCN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2ccccc12
72803 COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(Cl)c(F)c3)CC2)c1
72804 CC(=O)COc1cccc2ccc(\C=C\c3ccc(Br)s3)nc12
72805 CCCNC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccccc1
72806 CC(Cc1cccc(C)n1)NC(=O)c1oc2c(F)cccc2c1C
72807 Cc1ccccc1C(=O)NCCOc1ccccc1Cl
72808 Cc1c(oc2ccc(C)cc12)C(=O)N1CCC(O)(CC1)c1cccc(c1)C(F)(F)F
72809 COCc1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)ccc1OC
72810 [O-]C(=O)c1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
72811 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(Nc2ccccc2)cc1
72812 COc1cccc(CNC(=O)Cn2nc(C)c(c2C)[N+]([O-])=O)c1
72813 COc1ccc(cc1)\N=N\c1ccc(CO)cc1
72814 C(CSc1ccccc1)OCCN1CCOCC1
72815 Cc1ccccc1CC(=O)NC1CCCc2ccccc12
72816 Cc1ccc(O)c(NC(=O)Cc2ccc3ccccc3c2)c1
72817 Cc1ccc(SCCCCN2CCOCC2)cc1
72818 CC(C)CCNC1N(Cc2ccccc2)C(=O)c2ccccc12
72819 Cc1c(O)[c-](C[NH+]=Nc2ncccc2[N+]([O-])=O)ccc1=O |w:6.5|
72820 CCC(CC)COC(=O)C1C(NC(=O)N=C1C)c1cc(OC)ccc1OC |c:14|
72821 CCOc1ccc(cc1)C(=O)Nc1ccc2OCCOc2c1
72822 O=C1NN(C(=O)\C1=C/c1ccc2OCOc2c1)c1ccccc1
72823 Cc1ccc(O)c(CNc2nccs2)c1
72824 CC(=O)c1cccc(c1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
72825 COc1ccc(C2NC(=O)CCC2[N+]([O-])=O)c(OC)c1
72826 CN1CCN(CC1)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1
72827 COc1cccc(CNc2nc3ccccc3n2C(C)C)c1O
72828 Cc1ccc(CNc2c(C=O)c(=O)[nH]c3ccccc23)cc1
72829 CCC(=O)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1
72830 COCCN(CCOC)c1nc(nc2ccccc12)-c1ccc(C)cc1
72831 CCOc1cc(ccc1OS(=O)(=O)c1ccc(C)cc1)C(=S)N1CCOCC1
72832 Cc1ccc(-c2csc3nc[nH]c(=O)c23)c(C)c1
72833 COc1cc(cc(Cl)c1O)C1NC(=O)N=C(C)C1C(=O)OC1CCCCC1 |t:15|
72834 Clc1cc(C#N)c(cc1NCC1CCCO1)C#N
72835 COc1ccc(cc1)-c1c(C)nn2c(Cl)c(C)c(C)nc12
72836 COc1ccc(cc1)-c1cc(C(=O)NCc2ccco2)c2ccccc2n1
72837 Cc1ccc(C)c(CN2C(=O)COc3ccccc23)c1
72838 CC1CC(c2ccccc2)c2cc(C)ccc2N1C(C)=O
72839 Cc1cc(C)n(CC(O)COc2ccc(Cl)cc2Cl)n1
72840 O=Nc1c([nH]n(-c2ccccc2)c1=O)-c1ccccc1
72841 COc1ccc(cc1Cl)C1C2=C(CCCC2=O)N(CC(O)=O)C2=C1C(=O)CCC2 |c:24,t:11|
72842 COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(O)c3)C2=O)cc1
72843 COc1ccc(cn1)C1=CC(=O)CC(C1)c1ccc(F)cc1 |t:9|
72844 CNC(=O)N(O)C1N(N=Cc2c(F)cccc2Cl)C(=S)SC1(C)C |w:8.7|
72845 Cc1ccc(-c2n[nH]cc2C(=O)c2ccc(Br)cc2)c(O)c1
72846 COc1ccc(cc1OC)C(=O)\C=C1\C(=O)Nc2ccccc12
72847 COC(=O)Cn1c(=O)n(C)c2nc3N(CCc4ccccc4)CC(C)Cn3c2c1=O
72848 COC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCCCCC1)\C#N
72849 Cc1nc2nc(cn2nc1C)-c1ccc(F)cc1
72850 CCOC(=O)CC1NCCc2c1[nH]c1ccc(OC)cc21
72851 Fc1ccc(CN2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1
72852 [O-][N+](=O)c1ccc([CH-][N+](=O)[C@H]2CCCC[C@H]2[N+](=O)[CH-]c2ccc(o2)[N+]([O-])=O)o1
72853 COc1ccc(cc1)-c1nc(C#N)c(o1)N1CCCCC1
72854 [#6]-c1ccc(-[#6]-c2sc(\[#7]=[#6](\[#7])-[#7])nc2-[#8])cc1
72855 Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)n1cnc2ccccc12
72856 [O-][N+](=O)c1ccc(cc1)C1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)C1CC1
72857 CCc1cc(=O)oc2c(CNCc3ccccc3F)c(O)c(Cl)cc12
72858 CCCCOCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O
72859 CCCN1C(Nc2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
72860 COc1ccc(\C=C(/C#N)C(=O)Nc2cccc(C)n2)cc1
72861 CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
72862 CCS(=O)(=O)N1CCc2nc(sc2C1)-c1ccccc1
72863 COc1ccc(CCNc2ncnc3n(CCO)c(C)c(C)c23)cc1OC
72864 COc1ccc(cc1)-c1coc2cc3oc(=O)c(CC(O)=O)c(C)c3cc12
72865 Brc1ccccc1CNC(=O)Cc1cccs1
72866 COc1ccc(cc1OC)-c1c(C)nn2c(NC3CCCC3)cc(C)nc12
72867 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC[C@H](CC(O)=O)c1ccc(Cl)cc1
72868 COc1ccc(cc1)C1C(C(C)=O)C(=O)C(=O)N1c1ccc(C)cc1
72869 COc1ccc(CCNCc2ccc(Br)cc2)cc1OC
72870 ClCCC(=O)Nc1nc-2c(CCc3ccccc-23)s1
72871 OC(=O)c1cnn(-c2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c1C(F)(F)F
72872 Cc1ccc(cc1)C(C)(O)CS(=O)(=O)Cc1ccccc1Cl
72873 CC(C)(C)N(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
72874 CCOC(=O)CN1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
72875 [O-][N+](=O)c1ccc(cc1CS(=O)(=O)c1ccc(Cl)cc1)C(=O)CBr
72876 Cn1c(=O)c(nn(-c2ccc(F)cc2F)c1=O)C(=O)CBr
72877 Cc1ccc2nc(SCC(=O)NCc3ccc(F)cc3)[nH]c2c1
72878 O=C1CCN(Cc2ccccc2)N1
72879 CN(C)C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1
72880 CC(CCC(O)=O)C1CC[C@H]2C3CCC4CC(=O)CCC4(C)[C@H]3CC(=O)C12C
72881 Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(cc1)[N+]([O-])=O
72882 COC1=CC=CC(C1=O)c1c(C#N)c(N)nc2n(nc(C)c12)-c1ccccc1 |c:4,t:2|
72883 COc1cc2nc(=S)[nH]c(NCc3ccc(Cl)cc3)c2cc1OC
72884 OC(=O)CSc1nc2ccccc2nc1Cc1ccccc1F
72885 OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O
72886 CS(=O)(=O)Nc1cccc(c1)C1=NN(C(C1)c1cccs1)C(=O)CCCC(O)=O |t:12|
72887 CCOCCCNC(=S)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1
72888 CCn1cc(C(=O)NN)c(=O)c2cc(F)c(NC3CCCCC3)cc12
72889 COc1ccc(cc1)C(=O)CC(=O)C(=O)Nc1cc(OC)c(OC)c(OC)c1
72890 Fc1cccc(F)c1CN1CCN(CC1)c1ccc(Cl)cc1
72891 Cc1ccc2NC(=O)\C(=C/c3ccc(F)cc3)c2c1
72892 COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1
72893 Cc1noc(C(=O)Nc2cc(C)ccc2O)c1Cl
72894 CCCCCCNC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1
72895 CCCCNc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1
72896 Cc1c(CNCCc2ccccc2)c(C(O)=O)c(C)n1-c1ccccc1
72897 CCCC(=O)ON=C(c1ccccc1)c1ccncc1 |w:6.5|
72898 Clc1nc(Cl)c(C(=O)NCc2ccccc2)c(Cl)c1Cl
72899 CN(C)c1ccc(C(C[N+]([O-])=O)c2c(N)n(C)c(=O)n(C)c2=O)c(F)c1C#N
72900 OC(=O)c1ccccc1OC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
72901 CCc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCN(C)CC2)c1
72902 O=NC1c2ccccc2-c2ccccc12
72903 [O-][N+](=O)c1ccc(Cl)cc1C(=O)OC1CCOC1=O
72904 COc1ccccc1CCC(=O)N(CC=C)c1nc(cs1)-c1ccc(cc1)S(C)(=O)=O
72905 COc1ccc(NC(=O)COc2ccccc2Cc2ccccc2)cc1S(N)(=O)=O
72906 O=C(OCc1ccccc1C#N)c1cc(=O)c2ccccc2o1
72907 COc1ccc(cc1)C1(C)NC(=O)N(CC2CCCCC2)C1=O
72908 CCC(C)c1ccccc1NC(=O)c1cc(C)no1
72909 CCOc1ncccc1C(=O)NCCc1c[nH]c2ccccc12
72910 CC(Oc1ccc(F)cc1Br)c1nc2ccccc2c(=O)[nH]1
72911 COc1cc(C(=O)NCC2(CCCCC2)N(C)C)c(cc1OC)[N+]([O-])=O
72912 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CSc1ccc(Cl)cc1
72913 CCC1(NC(=O)N(CC(=O)NCc2ccccc2OC)C1=O)c1ccccc1
72914 Oc1ccc(cc1)C(=O)NN=C1CC(Oc2ccccc12)c1ccccc1 |w:10.10|
72915 CCC(C)(C)c1ccc(OC(=O)c2cccnc2Cl)cc1
72916 CCOc1ccc(CN(C)CC(O)COC(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
72917 CN(Cc1nnc(o1)-c1ccc(F)cc1)c1ccccc1
72918 COc1ccc(\C=C2/CN(Cc3ccccc3)C\C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O
72919 C1CN(CCN1c1ccc2ccccc2n1)c1ncccn1
72920 COCCCn1c(nc2n(Cc3ccccc3)c(=O)[nH]c(=O)c12)-c1ccc(OCC=C)cc1
72921 CC(C)c1ccc(cc1)C1NC(=O)c2ccccc2O1
72922 [H]C12CC3([H])CC(Br)(C1)CC(CC(=O)Nc1ccc(cc1)C(N)=O)(C2)C3 |TLB:7:6:25:1.24.2,8:6:25:1.24.2,8:1:25:6.9.5,THB:2:1:9:3.25.5|
72923 COc1cc(O)cc2C=CCCCC(=O)CCCC(C)OC(=O)c12
72924 COc1ccc(CNC2CCSc3ccccc23)cc1OC
72925 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(s2)[N+]([O-])=O)cc1
72926 Nc1nc(N2CCN(CC2)S(=O)(=O)c2ccccc2F)c(C#N)c(CC#N)c1C#N
72927 CCOc1cc(\C=C2/CCCc3c2nc2ccccc2c3C(O)=O)ccc1OC
72928 COc1ccccc1CCC(=O)OCC(=O)Nc1c(Br)cc(C)cc1Br
72929 CCOc1ccc(CN(C)C(=O)CNC(=O)c2ccc3ccccc3c2)cc1OC
72930 CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
72931 CCN(CC(=O)Nc1ccc(Br)c(C)c1)CC(=O)Nc1cccc(OC)c1
72932 COc1ccc(cc1)\N=C1\S\C(=C/c2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)N1CCN(C)C
72933 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc(C)cn1
72934 COc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1
72935 O=C\C=C\c1c(cc2oc3ccccc3cc12)-c1ccccc1
72936 Oc1csc(=S)n1N=Cc1cccc(c1)C(F)(F)F |w:7.7|
72937 COc1ccc(CNCC(O)COc2ccc(cc2)C(C)(C)c2ccccc2)cc1
72938 COc1ccc(\C=C(/C#N)c2c[nH]c3ccccc23)cc1
72939 Cn1c(SCc2ccccc2C#N)nc2ccccc2c1=O
72940 COc1ccc(OC)c(NC(=O)CNC(c2ccccc2)c2ccccc2)c1
72941 NC(=O)c1c(NC(=O)Cc2ccccc2)sc2CN(Cc3ccccc3)CCc12
72942 FC(F)Oc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
72943 Oc1ccc(cc1)-c1cnc(nc1)-c1ccc(O)cc1
72944 Oc1ccc2cc(c(=O)oc2c1)S(=O)(=O)c1ccccc1
72945 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(O)ccc2cc(Br)ccc12
72946 Clc1cc(Br)ccc1S(=O)(=O)N1CCN(CC1)C(=O)c1ccc[nH]c1=S
72947 COc1ccc2cc(\C=C\C(=O)N3CCN(CC(=O)N4CCCCCC4)CC3)ccc2c1
72948 Fc1cc(F)c(F)c(NNC(=O)c2ccc(Cl)nc2)c1F
72949 CC(C)OC(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)o1
72950 CCCCc1ccc(NS(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)cc1
72951 COc1ccc(cc1OC)-c1c(C)c2cc(O)ccc2oc1=O
72952 CCN1CCSc2ccc(cc12)C(=O)NCc1cccc(Br)c1
72953 COc1ccc(cc1)-c1cc2ccc(OCC(C)=O)cc2oc1=O
72954 COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2OCOc2c1
72955 Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2c(C)cc(C)cc2C)cc1
72956 Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCC1
72957 CC(C)C(N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)C(=O)NCc1ccccc1
72958 CNC(=O)C1CN(C(=O)C1)c1ccc(OCC(=O)N2CCCC2)cc1
72959 COc1ccc(cc1)N=CC(=CCC#N)S(=O)(=O)c1ccccc1 |w:8.8,11.12|
72960 CSc1ccc(CN=Nc2nncn2N)cc1 |w:8.8|
72961 COc1ccc(OC)c(Nc2nc3ccc(C)cc3n3cnnc23)c1
72962 CS(=O)(=O)c1ccc(Cl)c(c1)C(=O)NCC1CCCCC1
72963 COc1cc2nc(NC(=O)c3ccc(Cl)cc3)sc(=O)c2cc1OC
72964 Oc1c(CC(=O)c2ccc(cc2)C(F)(F)F)c(=O)oc2ccccc12
72965 Cc1ccnc(NC(=O)c2cc3cc(F)ccc3s2)c1
72966 COc1ccc(CCNCc2cc(C)n(c2C)-c2ccc(OC)cc2)cc1
72967 Clc1ccc(C#N)c(NC(=O)CNCc2cccs2)c1
72968 Cc1ccccc1NC(=O)C1CCCN(C1)C(=O)NCc1ccccc1
72969 CCOC(=O)C1CCN(CC1)C(=O)c1ccc2c(Cl)c3CCCCc3nc2c1
72970 COc1ccccc1N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)C1CCCCC1
72971 COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
72972 CN(C)CCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CCCC1
72973 [H]C12OC3(C=C1)C(N(CCN(C)C)C(=O)C3C2C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCCC1 |c:4|
72974 CCN(CCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12)c1cccc(C)c1
72975 CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1
72976 Cc1cc(NC(=O)CSc2nc3CCCc3cc2C#N)no1
72977 COc1cc(NC(=O)c2cc(ccc2NC(=O)CNC2CCCCC2C)[N+]([O-])=O)cc(OC)c1
72978 Cc1ccccc1-c1nnc(CS(=O)(=O)c2ccccc2)o1
72979 CCCCc1c(O)nc(SCC(=O)N2CCOCC2)n(-c2ccc(OC)cc2)c1=O
72980 CNc1c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c(=O)oc2ccccc12
72981 [O-][N+](=O)c1cc(c(Oc2c(F)cccc2F)cc1NN1CCCCC1)[N+]([O-])=O
72982 Fc1ccc(cc1)S(=O)(=O)NC(=Nc1cccc2ccccc12)c1ccccc1 |w:12.13|
72983 CCCCN(C)C(=O)C1CCC(CNS(=O)(=O)c2ccc3N(C(C)Cc3c2)C(=O)C2CC2)CC1 |(3.08,-2.79,;4.41,-3.56,;5.75,-2.79,;7.08,-3.56,;8.41,-2.79,;8.41,-1.25,;9.75,-3.56,;9.75,-5.1,;11.08,-2.79,;11.08,-1.25,;12.42,-.48,;13.75,-1.25,;15.08,-.48,;16.42,-1.25,;17.75,-.48,;16.98,.85,;18.52,-1.82,;19.08,.29,;19.08,1.83,;20.42,2.6,;21.75,1.83,;23.21,2.29,;24.11,1.06,;25.65,1.06,;23.21,-.18,;21.75,.29,;20.42,-.48,;23.69,3.76,;22.66,4.9,;25.19,4.08,;26.66,3.6,;26.34,5.1,;13.75,-2.79,;12.42,-3.56,)|
72984 Brc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1 |c:18,t:10|
72985 CN(Cc1cccc2cnccc12)C(=O)c1cc(COc2ccc(F)cc2F)on1
72986 CN(Cc1ccc(C)o1)C(=O)C1CCC(=O)N(CCc2ccccc2)C1
72987 Cc1ccc(cn1)C(=O)NC1CCCN(C1)c1ccc(cn1)C(F)(F)F
72988 Fc1ccc(NC2CCCN(C2)C(=O)c2ccc3nccnc3c2)cc1F
72989 CN(Cc1ccccc1)C(=O)CCC1CCN(CC1)C(=O)CC1=CCCCC1 |t:24|
72990 COc1cccc(CN2CC(CCC2=O)C(=O)NCc2ccc(C)o2)c1
72991 COc1ccccc1CN1CC(CCC1=O)C(=O)NCCc1ncccc1C
72992 COC(=O)c1cc(c[nH]1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
72993 Clc1ccc(cc1)S(=O)(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O
72994 Fc1ccc(CNC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc23)cc1
72995 COc1ccc(NC(=O)CCc2nnc3ccc(NCc4ccc5OCOc5c4)nn23)cc1
72996 Cc1nn(c(C)c1CCC(=O)Nc1cccc(C)c1)-c1ccc(nn1)N1CCCCC1
72997 COc1ccc(CN2CCNC(=O)C2CC(=O)NCC2CCOCC2)cc1C
72998 CN(CCc1ccccc1)C(=O)c1cc(COc2cccc(c2)C(F)(F)F)on1
72999 COc1ccc(NC(=O)NNC(=O)c2cc3sccc3[nH]2)cc1OC
73000 COc1ccc(NC(=O)NNC(=O)c2cc3occc3n2C)c(OC)c1
73001 Cc1ccc(C)c(NC2CCCCC2NS(=O)(=O)c2ccccc2)c1
73002 Cc1ccc(Cl)cc1N1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccccc1
73003 O=S(=O)(N1CCNCC1)c1ccc(cc1)-n1cnnn1
73004 Cc1ccn(CC(=O)N2CCCC(C2)N2CCN(CC2)c2ccc(F)cc2)n1
73005 COCc1cc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2ccco2)ccc1OC
73006 COc1cccc(NC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCC(C)CC2)c1
73007 COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)N1CCC(C)CC1
73008 CCOc1ccc(CNC(=O)c2cccc(NC(=O)C3=C(C)OCCS3)c2)cc1 |c:19|
73009 O=C(CCC(=O)N1CCOc2ccccc12)N1CCN(CC1)c1ccccn1
73010 Fc1ccccc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1cccs1
73011 Cc1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3OCC(=O)Nc3c2)cc1
73012 COc1ccc(CNC(=O)CCC(=O)N2CC(C)Oc3ccccc23)cc1
73013 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)Nc1ccc(C)cn1
73014 CC(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
73015 NC(=O)CC(NC(=O)c1ccc(Br)cc1)c1ccc(N2CCCCCC2)c(c1)[N+]([O-])=O
73016 Cn1cc(C=O)c(n1)-c1ccc2OCCCOc2c1
73017 CC(C)NC(=O)c1cccc(c1)S(=O)(=O)N(C)c1c(C)n(C)n(-c2ccccc2)c1=O
73018 OC(=O)CN1C(=O)\C(Oc2ccccc12)=C\c1ccccc1Br
73019 CC(C)(C)NC(=O)c1ccc2OC(C)(C)C(=O)N(CC(=O)N3CCCCC3)c2c1
73020 CN1CCN(CC1)C(=O)C(\NC(=O)c1cccc(Br)c1)=C\c1cccnc1
73021 COc1ccccc1C(=O)NCCCNC(=O)c1ccccn1
73022 SC1=NC(=O)C(S1)=Cc1ccc(OC(=O)c2ccco2)cc1 |w:7.8,t:1|
73023 CCOc1ccccc1-c1noc(CCCC(=O)NC2CCCCC2)n1
73024 Clc1ccc(cc1)C(=O)Nc1ccc2COC(=O)c2c1
73025 Cc1occc1C(=O)NNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
73026 Cc1ccnc(n1)N1CCCC(C1)C(=O)Nc1ccc(C)c(C)c1
73027 Cc1ccc(cc1)S(=O)(=O)CCN1CCN(CC1)c1ccccc1
73028 OC(=O)c1cccc(c1)S(=O)(=O)N1CCC(CC1)n1nnc2cc(ccc12)C(F)(F)F
73029 CC1CN(CC(C)O1)C(=O)CS(=O)(=O)Cc1ccccc1
73030 Cc1ccc(cc1)C(=O)ONC(=N)Cc1cccc2ccccc12
73031 [O-][N+](=O)c1ccc(cc1)C(=O)C[n+]1cccc(c1)C(=O)Nc1ccccc1
73032 Clc1ccc(OCC(=O)NCCCNC(=O)c2ccccn2)cc1
73033 O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccn1
73034 COC(=O)c1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1
73035 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc(cc1)-c1nc2ncccc2o1
73036 O=S(=O)(NCc1ccccn1)c1ccc2ccccc2c1
73037 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)C1CCN(CC1)C(=O)c1ccco1
73038 COCCNC(=O)C(N(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1C)c1ccc(C)cc1
73039 CN1CCN(CC1)C(=O)c1ccc(Cn2cc(Cl)cn2)o1
73040 CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccc2OCOc2c1
73041 COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)NCc1cccnc1
73042 Fc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2ccc(F)c(Cl)c2)cc1
73043 CCn1c(SC)nnc1C1CCCN(CC(=O)Nc2ccccc2N2CCOCC2)C1
73044 Cc1ccc2nc(SCC(=O)NC3CCCC3)c(C)cc2c1
73045 Clc1cccc(c1)-c1ocnc1C(=O)Nc1ccccc1C(=O)N1CCCC1
73046 COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(cc3)N3CCOCC3)o2)cc1
73047 Nc1nnc(SCC(=O)Nc2cccc3ccccc23)s1
73048 Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)Oc2ccccc2)c1
73049 COc1ccccc1CNCC(c1ccccc1)c1ccccc1
73050 COc1ccc(C)cc1NC(=O)CC(C)=NNC(=O)Cc1cccc2ccccc12 |w:15.16|
73051 CN1CCN(CCCNC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2ccccc2F)CC1
73052 COc1ccc(cc1)C1N(CCCN1S(=O)(=O)c1ccccc1)C(=O)CN1CCCC1
73053 Brc1ccc(s1)S(=O)(=O)NCC(=O)NCc1ccccc1
73054 CCc1cccc(NS(=O)(=O)c2ccc3SC(C)C(=O)Nc3c2)c1
73055 CC(C)c1ccc(cc1S(=O)(=O)NCCN1CCC(C)CC1)-c1cc(C)no1
73056 CN(C)C(CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1
73057 COc1cccc(c1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1coc(C)n1
73058 Cc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
73059 CCC(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1
73060 CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccncc1)C(=O)CNC(=O)c1ccco1
73061 OC1CC(N(C1)C(=O)Nc1ccccc1)C(=O)NCc1ccco1
73062 [H][C@]12CCN3C(=O)CCC[C@]([H])([C@@H](CC)[C@H](C1)Nc1ccccc1)[C@]23[H]
73063 Clc1cccc(\C=C2\Sc3ccccc3N(CC(=O)NCCCN3CCOCC3)C2=O)c1
73064 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
73065 CCCc1ccc(NC(=O)C2CCCN(C2)c2cnccn2)cc1
73066 COc1ccc(CNS(=O)(=O)c2cc(CN3C(=O)c4cccnc4C3=O)ccc2OC)cc1
73067 COc1ccc(cc1OC)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
73068 COCCn1c(=O)[nH]c2cc(ccc2c1=O)C(=O)N1CCN(CC1)c1cccc(Cl)c1
73069 COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)s2)cc1OC
73070 CC(=NNC(=O)c1ccoc1C)c1cccc2ccccc12 |w:2.2|
73071 C1Cc2[nH]c3ccccc3c2CN1
73072 CC(C(=O)NCCCN1CCCCC1C)n1nc(C)c2sc3ccccc3c2c1=O
73073 CSc1ccc(CCNC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc1
73074 CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCN(C(C)C1)c1cccc(C)c1
73075 CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCC1CCN(CCc2cccs2)CC1
73076 COC(=O)c1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
73077 CCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCc1nccn1CC
73078 CC1CC(C)CN(C1)C(=O)CCS(=O)(=O)c1ccc2SCC(=O)Nc2c1
73079 Cc1c(sc2ncn(CC(=O)N3CCOCC3)c(=O)c12)C(=O)Nc1ccc(C)cc1Br
73080 Oc1ccc2c(NC(=S)NC(=O)COc3ccccc3)cccc2c1
73081 Cc1ccccc1N1CCN(CC1)S(=O)(=O)Cc1ccccc1
73082 COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCc1ccccn1
73083 CCOc1ccc(C(=O)N2CCN(CC2)S(=O)(=O)c2cccs2)c(OCC)c1
73084 COC(=O)c1cccc(c1)C(=O)N1CCCC(C1)C(=O)c1ccccc1OC
73085 Fc1ccccc1CN1CCCC(C1)NC(=O)c1cccs1
73086 Cc1c(oc2c(F)cccc12)C(=O)N(CC1CCCO1)Cc1ccncc1
73087 CC(C)C(=O)N1CCC(CC1)n1nccc1NC(=O)CCOc1ccccc1
73088 COc1ccc(cc1OC1CCN(CC1)C(C)=O)C(=O)N(C)CC(O)c1ccccc1
73089 CC(N1c2cccc3cccc(c23)S1(=O)=O)C(=O)Nc1ccccc1Br
73090 Clc1ccccc1C(=O)NC1CCSc2ccccc12
73091 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
73092 C[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NCc1ccc(C)cc1
73093 COc1cc2CCN(C(C)c2cc1OC)S(=O)(=O)c1cnc(Cl)c(Cl)c1
73094 Oc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1Cc1cccnc1
73095 Fc1ccccc1N1C2CS(=O)(=O)CC2SC1=NC(=O)CCC1CCCC1 |w:17.20|
73096 Brc1ccc(cc1)S(=O)(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
73097 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2)c1C
73098 Brc1ccc(cc1)C(=O)COC(=O)CNC(=O)C1CCCCC1
73099 Cc1cccc(c1)-c1cc(C(=O)Nc2ccncc2)c2ccccc2n1
73100 C[C@H](NC(=O)[C@@H]1CSC2N1C(=O)c1ccccc21)C(=O)NCCc1ccccc1
73101 OCCC1CCCCN1C(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
73102 COc1ccc(cc1OC)C(=O)NC(=S)N1CCCCC1c1cccnc1
73103 CC(Oc1ccc2c(C)cc(=O)oc2c1C)C(=O)NCC(O)c1ccccc1
73104 COc1ccc(cc1)C1(NC(=O)N(CC(=O)N(C)c2ccccc2)C1=O)c1ccc(OC)cc1
73105 CSCC[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NCc1ccc(F)cc1
73106 CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C
73107 COc1cccc(c1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
73108 CN1CCN(CC1)NC(=O)\C=C\c1ccc(Br)cc1
73109 COC(=O)C1=CN(C=C(C1c1cccc(Br)c1)C(=O)OC)c1ccc(F)cc1 |c:7,t:4|
73110 Cc1cccc(c1)-c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cccnc2)c1
73111 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccccc1N1CCN(CC1)C(=O)c1ccc(Cl)cc1
73112 Cc1cccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cscn2)n1
73113 COC(=O)c1cc(OC)c(OC)cc1NC(=S)NC(=O)c1ccco1
73114 Cc1ccc(O)c(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c1
73115 CCOc1ccc(OCCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
73116 CCCCn1c(N)c(N(CC(C)C)C(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)c(C)c2)c(=O)[nH]c1=O
73117 Cn1ccc(n1)C(=O)NN=Cc1ccncc1
73118 Cc1cccc(OCC(=O)Nc2ccc3n(C)c(CCN4CCCCC4)nc3c2)c1
73119 Cc1c(OCC(=O)NCCCn2ccnc2)ccc2c3CCCCc3c(=O)oc12
73120 COc1ccccc1\C=C1\SC(=S)N(C(C)C(=O)NC2CS(=O)(=O)C=C2)C1=O |c:25|
73121 COc1cccc(c1)-c1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccc(Cl)s1 |w:22.24|
73122 Fc1cccc(CCN2CC(CCC2=O)C(=O)NCCn2cccn2)c1
73123 COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NC1CCCCC1C
73124 Brc1ccc(cc1)C(=O)NCCN1CCN(CC1)C(=O)c1ccc(Br)cc1
73125 COC(=O)N1N(C(=O)OC)[C@](C2CCCC2)(C1=O)c1ccccc1
73126 COc1ccc(NC(=O)COc2cccc3C(=O)N(Cc4cccnc4)CCc23)c(OC)c1
73127 CCc1ccccc1NS(=O)(=O)c1cc2CCN3c2c(CCC3=O)c1
73128 COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(CC2)c2ccccc2)cs1
73129 Fc1ccc(cc1F)-n1ccnc(SCC(=O)NC2CCCC2)c1=O
73130 CCN(C1CCS(=O)(=O)C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
73131 CC(C)CN(C1CCS(=O)(=O)C1)C(=O)c1cccs1
73132 COCCn1c(SCC(=O)NC2CCCCC2)nc2CCSc2c1=O
73133 Clc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
73134 Cc1ccc2nnn(Cc3cccc(c3O)C(C)(C)C)c2c1
73135 CC(NC(=O)c1ccc(cc1)C(C)(C)C)C(N1CCOCC1)c1cccs1
73136 Cc1ccc(C)c(c1)S(=O)(=O)N1CCCCC1CCNC(=O)C(=O)NCCc1ccco1
73137 Cc1cccn2c1nc(SCC(=O)N1N=C(CC1c1ccc(F)cc1)c1cccs1)nc2=O |c:15|
73138 COC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CN(CCc12)C(C)C
73139 COc1cnc(C=C)c2[nH]c3ccccc3c12
73140 CSCCC(NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)N(C)CCOc1ccc(Cl)cc1
73141 Fc1ccccc1\C=C1/SC(=O)N(CCNC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1=O
73142 CC(OC(=O)\C=C\c1ccc2ccccc2n1)C(=O)NCc1ccccc1
73143 COc1cc(ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCC1CCCO1
73144 COc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)NCCc1ccc(F)cc1
73145 CC1(NC(=O)N(CC(=O)c2ccc3OCOc3c2)C1=O)c1ccc(cc1)[N+]([O-])=O
73146 Cc1onc(c1C(=O)OCc1nnc(o1)-c1ccccc1)-c1ccccc1
73147 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)N(C)Cc2ccc(SC)cc2)cc1
73148 NC(=O)c1cc(C2CC2)c(CN2C[C@@H]3C[C@H]2CN3S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1F |r|
73149 COc1ccc(C(=O)OCC(=O)Nc2ccc(cc2OC)[N+]([O-])=O)c(O)c1
73150 COc1cc(ccc1NC(=O)COC(=O)c1ccc(cc1)N1CCCC1=O)[N+]([O-])=O
73151 COc1cc(ccc1NC(=O)COC(=O)c1ccc2SCC(=O)Nc2c1)[N+]([O-])=O
73152 COCc1ccc(cc1)C(=O)OCC(=O)Nc1ccc(cc1OC)[N+]([O-])=O
73153 COc1ccc(cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
73154 COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
73155 COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
73156 COc1ccc(cc1NC(=O)C(C)OC(=O)c1ccc(NC(N)=O)cc1)[N+]([O-])=O
73157 COc1ccccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
73158 COc1ccc(cc1NC(=O)C(C)OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)[N+]([O-])=O
73159 COc1ccc(cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)[N+]([O-])=O
73160 CS(=O)(=O)c1ccccc1C(=O)Nc1cccc2ncccc12
73161 COc1cc([CH+][N-]NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(cc1)[N+]([O-])=O
73162 COc1cc([CH+][N-]NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(cc1)[N+]([O-])=O
73163 Brc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
73164 Cc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1cccs1
73165 Clc1ccccc1NC(=O)C1CCN(CC1)C(=O)c1cccs1
73166 O=C(Nc1ccccc1)C1CCN(CC1)C(=O)c1cccs1
73167 Cc1cc(Cl)ccc1NC(=O)C1CCN(CC1)C(=O)c1cccs1
73168 Oc1ccccc1C(=O)NN=Cc1ccc(OCC(=O)Nc2ccccc2)cc1
73169 COc1cc([CH+][N-]NC(=O)c2ccc(O)cc2)ccc1OCC(=O)Nc1cccc(c1)[N+]([O-])=O
73170 COc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
73171 Cc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
73172 COc1ccc(cc1)\N=C1/SC(CC(=O)N1C)C(=O)Nc1ccc(F)cc1
73173 COc1cccc(c1)\N=C1/SC(CC(=O)N1C)C(=O)Nc1ccc(F)cc1
73174 CCN1C(=O)CC(S\C1=N/c1ccccc1OC)C(=O)Nc1ccc(cc1)C(O)=O
73175 Cc1ccc(N2C(=O)c3cccc4c(N)ccc(C2=O)c34)c2cccnc12
73176 Nc1ccc(cc1)C(=O)Nc1cccc2ncccc12
73177 Clc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1
73178 Cc1ccc(NC(=O)C2CCN(CC2)C(=O)c2cccs2)cc1
73179 Cc1ccc(C)c(NC(=O)C2CCN(CC2)C(=O)c2cccs2)c1
73180 COc1cccc(\C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1OCc1cccc(c1)C(O)=O
73181 Cc1cccc(NC(=O)CN2C(=O)N\C(=C/c3ccccc3OCc3ccc(cc3)C(O)=O)C2=O)c1
73182 COc1ccc(NC(=O)C2CC(=O)N(C)\C(S2)=N\c2ccccc2OC)cc1
73183 O=C(CSc1ccc(nn1)-c1ccco1)NCc1ccccc1
73184 CC(=O)Nc1ccc(NC(=O)CSc2ccc(nn2)-c2ccco2)cc1
73185 COc1cc(NC(=O)CSc2ccc(nn2)-c2ccco2)cc(OC)c1
73186 COc1ccc(NC(=O)CSc2ccc(nn2)-c2ccco2)cc1OC
73187 COc1ccc(NC(=O)CSc2ccc(nn2)-c2ccco2)c(OC)c1
73188 Cc1cccc(NC(=O)CSc2ccc(nn2)-c2ccco2)c1C
73189 Cc1ccccc1NC(=O)CSc1ccc(nn1)-c1ccco1
73190 O=C(CSc1ccc(nn1)-c1ccco1)Nc1ccccc1
73191 Cc1cccc(NC(=O)CSc2ccc(nn2)-c2ccco2)c1
73192 CCc1nnc(NC(=O)CSc2ccc(nn2)-c2ccco2)s1
73193 Cc1nnc(NC(=O)CSc2ccc(nn2)-c2ccco2)s1
73194 COc1ccccc1CCNC(=O)CSc1ccc(nn1)-c1ccco1
73195 O=C(CSc1ccc(nn1)-c1ccco1)NCCc1ccccc1
73196 O=C(CSc1ccc(nn1)-c1ccco1)N1CCCCCC1
73197 CCN1C(=O)CC(S\C1=N/c1ccccc1OC)C(=O)Nc1ccc(F)cc1
73198 Cn1c(CC(=O)Nc2ccc(F)cc2)c(Sc2ccccc2)c2ccccc12
73199 COc1cc(\C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
73200 COc1ccc(cc1)C(=O)N\N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1
73201 COc1ccccc1\N=C1/SC(CC(=O)N1C)C(=O)Nc1ccccc1
73202 COc1ccc(cc1)C(=O)Nc1cccc2ncccc12
73203 CCOC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1C
73204 COc1ccccc1\N=C1/SC(CC(=O)N1C)C(=O)Nc1ccc(F)cc1
73205 Fc1ccc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)cc1
73206 CCOC(=O)Cc1c(Sc2ccccc2)c2cc(C)ccc2n1C
73207 CN(C(=O)C1CCN(CC1)C(=O)c1cccs1)c1ccccc1
73208 COc1ccc(OC)c(c1)N1CC(O)(c2cccs2)[N+]2=C1SCCC2 |c:21|
73209 C[C@H]1OC[C@@H](C[N+](C)(C)C)O1
73210 [H]C12CC(C)(Oc3ccccc13)N(C)C(O)=C2C(=O)\C=C\c1ccc(cc1)N(C)C |c:17,TLB:13:12:2:5.11.6,THB:10:11:2:12.16.14,17:16:2:5.11.6|
73211 CCSc1nnc(NC(=O)NC(CC)(C(F)(F)F)C(F)(F)F)s1
73212 CCOC(=O)c1ccc(NC(=O)NC(C)C2CCCO2)cc1
73213 [O-][N+](=O)c1ccc2nc(CCCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1
73214 COc1ccc(cc1CN1CCOCCOCCN(Cc2ccc(cc2OC)[N+]([O-])=O)CCOCC1)[N+]([O-])=O
73215 [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1
73216 O=C(CNC(=O)c1ccco1)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1cccnc1
73217 C(Nc1c2CCCCc2nc2nnnn12)c1cccnc1
73218 CCCC(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
73219 Cc1ccccc1OCC1CN(CN2CCOCC2)C(=O)O1
73220 CCC(C)(C)NC(=O)c1ccc2OC(C)(C)C(=O)N(CC(=O)OC)c2c1
73221 Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1
73222 Cn1nc(CC(=O)Nc2cccnc2N2CCOCC2)c2ccccc2c1=O
73223 CC(C)C(N1CCOCC1)c1nnnn1C1CCCCC1
73224 COc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
73225 Fc1ccccc1N1CCN(CC1)C(c1nnnn1C1CCCCC1)c1ccccn1
73226 CC(=O)Nc1cccc(NC(=O)c2c(C)onc2-c2ccccc2)c1
73227 Cn1c2nc(N3CCNCC3)n(Cc3cccc4ccccc34)c2c(=O)[nH]c1=O
73228 O=C(CN1c2ccccc2C(=O)N2CCCC2C1=O)Nc1ccccc1-n1cccc1
73229 Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccc4OCOc4c3)cc12
73230 COCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCc1ccccc1
73231 Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCC3)nc2c1C
73232 Cc1nc2cc(N3CCOCC3)c(NC(=O)C3CC3)cc2c(=O)n1Cc1ccccc1
73233 Cc1cc(NC(=O)C2CCN(CC2)S(=O)(=O)Cc2ccccc2)ccc1-n1cnnn1
73234 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(NC(=O)C(C)C)nc1
73235 COCCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1
73236 O=C(NC1CCCCC1)NC1(CCCCC1)C(=O)N1CCN2CCCC2C1
73237 O=C1NC(SCc2ccccc2)=C(C#N)C2(CCCC2)C1C#N |t:12|
73238 Cn1c(SCC(=O)c2ccccc2)nc2cccnc12
73239 CCCn1nnnc1SCC(=O)NCc1cccs1
73240 CCCCOC(=O)CSc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(/C)Cl
73241 COc1ccc(cc1)C(=O)CCN1CCCCCC1
73242 Clc1ccc(NC(=O)NC2CCCC2Cc2ccco2)cc1
73243 CCOC(=O)CSc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
73244 CCCC1C(c2ccccc2)C(C#N)(C#N)C2(CC1(N)NC2=O)C#N |TLB:22:21:17:3.4.11,2:3:17:20.21|
73245 CCCCN(CCCC)c1nc2ccccc2nc1C(C#N)C(=O)NCCCOC
73246 Brc1ccc2N(CC=C)C(=O)\C(=C3/SC(=NC3=O)N3CCOCC3)c2c1 |c:14|
73247 COC(=O)C1CCN(CC1)C(=O)c1ccc(SC)cc1OC
73248 CCOC(=O)C1CCCN(C1)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
73249 O=C(CN1CCc2[nH]c3ccccc3c2C1)N1CCCCC1
73250 S=c1[nH]cnc2n(CCC#N)cnc12
73251 COCCNc1ncnc2n(ncc12)-c1ccc(Cl)cc1
73252 O=c1[nH]c(Cc2ccccc2)nc2c3ccccc3oc12
73253 CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCN(Cc2ccccc2)CC1
73254 CCNC(=O)C1CC(=O)N(Cc2ccc3OCOc3c2)\C(S1)=N\c1ccc(OCC)cc1
73255 COc1ccc(cc1)C1C(C(=O)c2ccc(OCC=C)cc2)C(=O)C(=O)N1CCCN1CCOCC1
73256 CCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12
73257 CC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1
73258 Cn1c2nc(NCCCn3ccnc3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O
73259 Cn1nc(-c2ccccc2)c2nc3ccccc3nc12
73260 CC(C)OCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccncc1
73261 Cc1ccc(SCc2cc(=O)[nH]c(n2)N2CCOCC2)cc1
73262 CC1CCCN(Cc2nc3n(C)c(=O)n(C)c(=O)c3n2CC(N)=O)C1
73263 Cc1cc(C(=O)CSc2nnc(C)s2)c(C)n1-c1ccc2OCOc2c1
73264 CC1(C)C(C#N)C(=N)OC2=C1C(=O)CCC2 |c:9|
73265 C1Oc2ccccc2OC1c1nnc2CSc3ccccc3-n12
73266 Cc1noc(C)c1CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12
73267 Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1-c1ccc(F)cc1
73268 COc1ccc(C)cc1NC(=O)C1CN(Cc2ccco2)C(=O)C1
73269 CN(Cc1nc(N)nc(Nc2ccccc2C)n1)c1ccccc1
73270 CCc1ccc(NC(=O)C(C)Nc2ccc(cc2)S(=O)(=O)NC(C)=O)cc1
73271 Cc1sc2ncnc(-n3cnc4ccccc34)c2c1C
73272 Cc1nc(C)c(c2-c3ccccc3C(F)(F)c12)C(F)(F)F
73273 FC(F)(F)c1ccc(N2CCOCC2)c(NC(=O)Cn2nnc3ccccc3c2=O)c1
73274 C(N1CCCc2ccccc12)c1nnc2CCCCCn12
73275 OC(=O)c1cccc(NC(=O)Cc2sc(nc2O)N2CCCCC2)c1
73276 CNC(=O)COC(=O)c1cc(F)c(F)cc1Cl
73277 CCOC(=O)c1c(C)c(sc1NC(=O)CSc1nnc(-c2ccccc2)n1CC)C(C)=O
73278 CCCc1ccc(cc1)C(=O)CCC(O)=O
73279 O=C(CCOc1ccccc1)NCC(N1CCCCC1)c1ccco1
73280 CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
73281 Cc1cc(NC(=O)CN2CCCC2c2nc3ccccc3s2)no1
73282 Cc1noc(C)c1S(=O)(=O)N1CCCC(C1)C(=O)NCCc1ccc(Cl)cc1
73283 Cc1nn(c(OC(=O)c2ccco2)c1S(=O)(=O)c1ccc(C)cc1)C(C)(C)C
73284 CC(C)c1cc(no1)C(=O)Nc1cc(Cl)ccc1O
73285 Fc1ccc(cc1)-c1cc(no1)C(=O)NCCN1CCOCC1
73286 OC(=O)CSCCC(=O)Nc1ccc(F)cc1
73287 O=C(NCCCN1CCCC1)Nc1cccc2ccccc12
73288 CCOCCCNC(=O)C(NC(=O)c1ccccn1)c1ccc(C)cc1
73289 Cn1cc(CN2CCN(CC2)c2ccccc2)c2ccccc12
73290 COc1ccccc1CNC(=O)CSc1nc2nc(C)cc(C)n2n1
73291 CCc1ccc(CNC(=O)CN2C(=O)COc3ccccc23)cc1
73292 COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
73293 Cc1c(\N=C\c2ccc(Cl)o2)c(=O)n(-c2ccccc2)n1C
73294 CCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)n(CCC(=O)NC2CCCC2)c1=O
73295 O=C(C1CCN(CC1)S(=O)(=O)c1c[nH]cn1)N1CCN(CC1)c1ncccn1
73296 CC1CCc2nc3sc(C(O)=O)c(C)c3c(=O)n2CC1
73297 CCOc1cc2C(C(N(C)C(=O)c2cc1OCC)c1cc(Br)c(O)c(OC)c1)C(O)=O
73298 COc1ccccc1-c1cc(no1)C(=O)NCCN1CCOCC1
73299 CN1CCN(CCNC(=O)Nc2ccccc2C(F)(F)F)CC1
73300 Cc1ccc(cc1)-n1nnc2c1ncn(CC(=O)N1CCCC1)c2=O
73301 COc1cccc(CNC(=O)C2CCCN(C2)c2nc3ccccc3o2)c1
73302 CCCOC(=O)NC(CC)COC(=O)Nc1cc(C)ccc1C
73303 Cc1nc([nH]c1C(O)=O)-c1ccco1
73304 CCN(CC)CCCNC(=O)c1cc(on1)-c1ccc(Cl)c(Cl)c1
73305 Cc1c(NC(=O)c2cc(on2)-c2cccs2)c(=O)n(-c2ccccc2)n1C
73306 CCOC(=O)C1CCN(CC1)C(=O)c1sc2nc(cn2c1C)-c1ccc(F)cc1
73307 O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCCc1ccccc1
73308 O=C(NCCc1ccccc1)C1CCN(CC1)c1nc2ccccc2o1
73309 Cc1c(oc2ccc3OC(C)(C)CC(=O)c3c12)C(=O)NCc1ccoc1
73310 [H]C12CC([H])(C=C1)C1C2C(=O)N(CC(=O)NCc2ccc3OCOc3c2)C1=O |c:5,TLB:26:7:2:5.6,THB:9:8:2:5.6|
73311 COCC(C)NC(=O)c1cc(on1)-c1ccccc1OC
73312 CC1CCCCC1NC(=O)C1CCN(CC1)S(=O)(=O)N1CCOCC1
73313 CCOC(=O)C1CCCN(C1)c1c(NCCCN(CC)c2ccccc2)c(=O)c1=O
73314 COc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc12
73315 O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCC2(CC1)OCCO2
73316 CCOC(=O)c1ccc(cc1)-n1c(N)c(sc1=S)C(=O)NCC=C
73317 CCn1ncc(C2=NOC(C2)C(=O)NCc2ccc(Cl)cc2)c1C |t:6|
73318 [H]C12CC(C)(CN1C(=O)c1cc(on1)-c1ccc(OC)c(OC)c1)CC(C)(C)C2 |TLB:7:6:2:25.24.28|
73319 Cn1c2ccc(cc2n(C)c(=O)c1=O)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
73320 O=C(Nc1cccnc1)c1cc(on1)-c1cccs1
73321 Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(on1)-c1ccco1
73322 O=C(NCc1cccs1)c1cnc2ccccn2c1=O
73323 COc1ccc(OC)c(NC(=O)Cn2cccc2)c1
73324 COCCN(CCOC)C(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)N(C)c1ccc(F)cc1
73325 N#Cc1ccccc1NCc1ccccc1
73326 CN(C#N)c1nc(nc(n1)N1CCOCC1)N1CCOCC1
73327 O=C(CCCN1C(=O)c2cccnc2C1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
73328 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N1CCN=C1SCc1cccnc1 |c:20|
73329 CC1(C)N(O)C2(CCCCCC2N=O)[N+]([O-])=C1c1cccs1 |c:16|
73330 COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
73331 CCN(CC)CCN1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccccn1
73332 CCOC(=O)NC1(N=C(NC1=O)c1ccccc1)C(F)(F)F |c:7|
73333 CC(C)c1ccc(C)cc1OCC(=O)Nc1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
73334 CCOc1cc(ccc1F)S(=O)(=O)NC1CCCCCC1
73335 Cc1cc(C)nc(Nc2nnc([nH]2)-c2ccccc2Br)n1
73336 Cc1cc(C)c2nc(nc(NCCCN3CCCC3=O)c2c1)C(F)(F)F
73337 CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C11C(=O)N2c3c1cccc3C(C)CC2(C)C |c:5|
73338 O=C(Nc1ncc2C(=O)CC(Cc2n1)c1ccco1)c1ccccc1
73339 CS(=O)(=O)N(CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2OCOc2c1
73340 COc1ccc(CC(=O)Nc2ccc(OC)c(NC(=O)c3ccco3)c2)cc1
73341 Brc1cccc(c1)-c1nnc([nH]1)-c1ccccc1
73342 COc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCN1CCOCC1
73343 COc1cc(cc(OC)c1OC)C(=O)Nc1nnc(CC(=O)N2CCOCC2)s1
73344 [H]C12CCC([H])(C1)C(C2)NS(=O)(=O)c1ccc2OCCOc2c1 |TLB:9:7:6:3.2|
73345 CC(=O)Nc1ccc(cc1)-c1cn2ccsc2n1
73346 O=C1CC(C(=O)N1)c1c[nH]c2ccccc12
73347 COc1cccc(OCCOc2c(OC)cccc2OC)c1
73348 Cn1c(NCc2cccs2)nc2ccccc12
73349 COc1cccc(c1)C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1Cl
73350 COc1ccc(NC(=O)CCc2ccccc2)cc1NC(=O)c1ccco1
73351 Cc1c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c(=O)n(-c2ccccc2)n1C
73352 CCCc1c([nH]c2CCCC(=O)c12)C(=O)OCC
73353 CN(CCO)c1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1cccc(C)c1
73354 Cc1ccc(cc1)N(CC(N)=O)C1SC(=O)NC1=O
73355 Cc1ccccc1C1CC(Nc2nc(N)nn12)c1ccc(Br)cc1
73356 CCOc1ccc(cc1)C1CC(c2ccccc2C)n2nc(N)nc2N1
73357 Fc1ccc(cc1)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
73358 Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)NC1CCCC1
73359 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)cc1
73360 Cc1cc2cc(CNC(=O)c3cccs3)ccc2n1C
73361 CC1CC(C)CN(C1)c1nc2n(C)c(=O)n(C)c(=O)c2n1CCSc1ncccn1
73362 COCCn1c(SCC(=O)N2CCc3ccccc23)nc2CC(C)Sc2c1=O
73363 CCN1CCN(CC1)C(CNS(=O)(=O)c1ccc(OC)cc1)c1cccnc1
73364 Cc1cc(C(=O)N2CCCC2C(O)=O)c(C)o1
73365 COC(=O)Cn1c(C)nc(=O)c(c1C)-c1ccccc1
73366 O=C1N(CCCSc2nc3ccccc3o2)C(=O)c2ccccc12
73367 CCOC(=O)C1C(C(C(=O)OCC)C(C)(O)CC1=O)c1ccc2OCOc2c1
73368 CC(Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1
73369 CC1(CCS(=O)(=O)C1)NC(=O)N1CCCCC1
73370 COC(=O)C1C(C2CCC=CC2)C(C(=O)OC)=C(C)N=C1C |c:9,20,t:17|
73371 CC(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1
73372 CCOC(=O)C1CCCN(C1)C(=O)C1c2ccccc2Oc2ccccc12
73373 CN(C(C)=O)c1nc(C)nc(n1)-c1ccccc1OC(C)=O
73374 OC(COCc1ccc(Cl)cc1)CS(=O)Cc1ccc(Cl)cc1
73375 COc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
73376 [H]C12CC([H])(C(CN(C)C)C1N=O)C(C)(C)C2C |TLB:11:10:13.16:2,17:16:2:5.10,THB:6:5:13.16:2|
73377 O=C(NCc1ccco1)C1CCC(CC1)N1C(=O)c2ccccc2C1=O |(15.03,2.53,;14.26,1.2,;15.03,-.13,;16.57,-.13,;17.34,-1.47,;18.88,-1.63,;19.2,-3.13,;17.86,-3.9,;16.72,-2.87,;12.72,1.2,;11.95,-.13,;10.41,-.13,;9.64,1.2,;10.41,2.53,;11.95,2.53,;8.1,1.2,;7.2,2.44,;7.68,3.9,;5.75,1.97,;4.41,2.74,;3.08,1.97,;3.08,.43,;4.41,-.34,;5.75,.43,;7.2,-.04,;7.68,-1.5,)|
73378 N#Cc1cc(Oc2ccccc2)c(cc1C#N)-n1nnc2ccccc12
73379 COCCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
73380 Fc1ccc(cc1)C1CC(=O)C(=CNCCN2CCNCC2)C(=O)C1 |(10.16,9.3,;9.39,7.97,;10.16,6.64,;9.39,5.3,;7.85,5.3,;7.08,6.64,;7.85,7.97,;7.08,3.97,;5.75,3.2,;5.75,1.66,;4.41,.89,;7.08,.89,;7.08,-.65,;5.75,-1.42,;5.75,-2.96,;4.41,-3.73,;4.41,-5.27,;3.08,-6.04,;3.08,-7.58,;4.41,-8.35,;5.75,-7.58,;5.75,-6.04,;8.41,1.66,;9.75,.89,;8.41,3.2,)|
73381 CC(=O)Oc1ccc(cc1)C(=O)Nn1cnnc1
73382 CCOc1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1
73383 Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
73384 CCOC(=O)c1c(oc2cc(CN(C)C)c(O)c(CN(C)C)c12)-c1ccccc1
73385 Oc1ccccc1CNc1cnc2ccccc2c1
73386 COc1ccc(cc1C)S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1 |t:25|
73387 O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccccc1
73388 O=C(COc1ccccc1)Nc1nccs1
73389 COc1ccc(cc1)-c1cc(nc(SCCC(=O)NCc2ccccc2)n1)C(F)(F)F
73390 CC(N1C(=O)c2ccccc2C1=O)C(=O)Nc1nnc[nH]1
73391 Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)no1
73392 COCCSc1nnc(NC(=O)C(C)(C)C)s1
73393 CCCC(C)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
73394 C[C@@H]1NC(=O)c2cc(cc(I)c2NCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[N+]([O-])=O
73395 CCCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=N
73396 Cc1onc(c1C(=O)N1CCc2ccccc12)-c1c(F)cccc1Cl |(10.17,-3.3,;10.33,-1.77,;11.67,-1,;11.35,.51,;9.82,.67,;9.19,-.73,;7.68,-1.05,;6.65,.1,;7.2,-2.51,;8.1,-3.75,;7.2,-4.99,;5.75,-4.52,;4.41,-5.29,;3.08,-4.52,;3.08,-2.98,;4.41,-2.21,;5.75,-2.98,;9.82,2.21,;11.16,2.98,;12.49,2.21,;11.16,4.52,;9.83,5.29,;8.49,4.53,;8.49,2.99,;7.15,2.22,)|
73397 CCOC(=O)C1=C(CSc2nc(ccc2C#N)-c2ccccc2)OC(=N)C(C#N)C1c1ccccc1 |c:5|
73398 Cc1cc(C)n(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)c(=O)n1
73399 CCCSc1nc(O)cc(=O)n1CC=C
73400 COc1ccc(cc1)C1=NC(=S)NC(C1)c1cc(OC)c(OC)c(OC)c1 |t:9|
73401 CC(C)COc1ccc(cc1)C(=O)NNC(=S)NCC=C
73402 CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
73403 OC(=O)CCc1ccc(-c2ccc(F)cc2)n1CC1CCCO1
73404 COCCNC(=S)NNC(=O)c1ccco1
73405 CC1CCC2(CC1)NN(C(=S)N2)c1ccccc1 |(3.08,-.98,;4.62,-.98,;5.39,-2.31,;6.93,-2.31,;7.7,-.98,;6.93,.35,;5.39,.35,;8.61,.27,;10.07,-.21,;10.07,-1.75,;11.32,-2.65,;8.61,-2.22,;11.32,.7,;12.72,.07,;13.97,.97,;13.81,2.51,;12.4,3.13,;11.16,2.23,)|
73406 Cc1ccccc1Cn1ccc(NC(=O)c2cnn3C(CC(Nc23)c2ccccc2)C(F)(F)F)n1
73407 O=C(N1CCc2ccccc12)c1cnc2sccn2c1=O
73408 Cc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1C
73409 Clc1ccc(OCCN2CCOCC2)cc1Cl
73410 FC(F)(F)c1cccc(c1)N1C(=O)Cn2c1nc1ccccc21
73411 Cc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1
73412 COCCCNC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1
73413 Cc1ccc(CCN2CC(CC2=O)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
73414 CN(C)CCNC(=O)C1CN(C(=O)C1)c1ccc(F)c(Cl)c1
73415 CCOC(=O)c1cc(OC(=O)c2ccccc2Br)n(n1)-c1ccccc1
73416 CC(C)Oc1ccc(cc1)C(=O)C(=C/c1sccc1C)\c1nc2ccccc2o1
73417 Fc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccccc1Cl
73418 Cc1ccc(NC2=CS(=O)(=O)CC2[N+]([O-])=O)cc1 |t:6|
73419 Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1CC=C
73420 Clc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(CC1)C(=O)c1ccco1
73421 COc1ccc(F)cc1S(=O)(=O)NC1CCCC1
73422 O=C(N1CCN(CC1)c1ccccc1)c1cccn2c1nc1cc3ccccc3cc1c2=O
73423 COc1ccc(CCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)cc1OC
73424 Cc1ccc(CN2C(CCC2=O)C(=O)NCc2cccnc2)cc1
73425 Clc1ccc(CCNC(=O)C2CCC(=O)N2Cc2ccccc2Cl)cc1
73426 CCOc1cc(ccc1OC)C1C2C(=O)CCCC2=Nc2nc(nn12)C(=O)OC |c:20|
73427 COc1ccc(Cl)cc1NC(=O)NC1CCCCC1
73428 Fc1ccc(cc1)C(=O)Cc1nc2ccccc2n(-c2ccccc2)c1=O
73429 COCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
73430 CC(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc12
73431 COc1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1OC
73432 CCC(C)NC(=O)c1ccccc1NC(=O)Nc1ccccc1
73433 COc1ccc(CN2CNc3nc4ccccc4n3C2)cc1
73434 CC(C)c1nnc(NC(=O)CCC(=O)NCc2cccs2)s1
73435 COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)c(OC)c1
73436 COc1ccccc1CNC(=O)CCC(=O)Nc1nnc(s1)C(C)C
73437 CC(C)C(=O)Nc1nnc(CCN2CCOCC2)s1
73438 CC(N1CCSCC1)C(=O)c1c[nH]c2ccccc12
73439 CC1(C)CC(=O)C(C(C#Cc2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
73440 COC(=O)CC1=C(C(C(C#N)C(=N)O1)c1cc(OC)c(OC)cc1OC)C(=O)OC |t:5|
73441 Cc1ccc(s1)C(=O)NCC(=O)N1CCN(CC1)c1ncccn1
73442 O=C(Nc1ccc(cc1)-n1cnnn1)C1CCCCC1
73443 Cc1sc2nc(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)n(CC=C)c(=O)c2c1C
73444 Cc1cc(NC(=O)CSc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)no1
73445 CN(C)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc23)cc1
73446 CC(OC(=O)Cn1c(nc2ccccc12)C(F)(F)F)C(=O)N1CCCc2ccccc12
73447 CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2OCCOc2c1
73448 Clc1cc(NC(=O)CSc2nnnn2-c2cccc3ccccc23)ccc1N1CCOCC1
73449 CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccccc1
73450 CC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
73451 CSCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(O)=O
73452 Cc1ccccc1Nc1nnc(SCc2cc(cc3COCOc23)[N+]([O-])=O)s1
73453 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)N1CCc2ccccc12
73454 Fc1ccccc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O
73455 COC(=O)c1ccccc1Nc1cc(O)n(c1O)-c1c(C)cccc1C |(11.71,5.58,;10.18,5.75,;9.28,4.5,;9.9,3.09,;7.74,4.66,;7.12,6.07,;5.59,6.23,;4.68,4.98,;5.31,3.58,;6.84,3.41,;7.47,2.01,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;5.79,-3.15,;4.46,-3.92,;3.12,-3.15,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;7.12,-3.92,;8.46,-3.15,)|
73456 Cc1ccc(cc1)S(=O)(=O)C(=C\c1c[nH]c2ccccc12)\C#N
73457 COc1cccc(c1)C(=O)Nc1ccc(NC(C)=O)cc1
73458 COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C2CC2C)c1
73459 Cc1nc(Sc2ccccc2)c(cc1-c1ccccc1)C#N
73460 Clc1ccc(cc1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
73461 CCOc1n(C)nc2cc(ccc12)C(=O)NCc1ccc2OCOc2c1
73462 Cc1ccccc1NC(=S)N1CCC(CC1)C(=O)c1ccc(F)cc1
73463 Clc1ccc(cc1)N1CCN(CC1)C(=N)C(=CC(C#N)C#N)C#N |w:16.18|
73464 Cc1nc(nn1-c1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(F)cc1
73465 Clc1cccc(c1)C1CC(=O)CC(=O)C1n1cncn1
73466 Cc1cc(NC(=S)Nc2ccccc2)ccc1Br
73467 COc1ccc(cc1)C1=NN2C(C1)c1ccc(OC)c(OC)c1C2=O |t:9|
73468 O=C(Nc1nc(cs1)-c1ccccc1)C1c2ccccc2Oc2ccccc12
73469 COc1cc(cc(OC)c1OC)C(=O)NNC(=O)NC1CCCCC1
73470 COc1cc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)ccc1O |w:6.6|
73471 O=C(NCCCN1CCOCC1)C(Sc1ccccc1)c1ccccc1
73472 CC(C)NC(=O)C(=O)NCCOC=C
73473 Cc1ccc(C(=O)COC(=O)CSc2cccc3cccnc23)c(C)c1
73474 COC(=O)Cc1cc(=O)oc2cc(OC)ccc12
73475 [H]C12CC3([H])CC(C1)(CC(C2)(C3)c1ccccc1)C(=O)Nc1ccc(OCC)cc1 |TLB:5:3:10:6.8.7,THB:5:6:10:3.11.2,2:3:8:1.10.7,18:6:10:3.11.2|
73476 Cc1cc(Nc2ccccc2)nc(N)n1
73477 [O-][N+](=O)c1cccc(CN=Nc2nccnc2Cl)c1 |w:10.10|
73478 COc1ccccc1NC(=S)N1CCN(CC1)C(=O)c1ccco1
73479 NC(=NOC(=O)C1CCCCC1)c1cccc(c1)[N+]([O-])=O |w:2.2|
73480 CCn1c2ccccc2c2cc(NC(=O)c3cccc(c3)[N+]([O-])=O)ccc12
73481 O=C(COc1ccccc1)NCC(=O)NN=Cc1cccs1
73482 CCCCc1ccc(NN=C(C(C)=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)cc1 |w:9.8|
73483 CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1cc(C)ccn1
73484 Clc1ccc2[nH]c3c(CCCC3=NNC(=O)c3ccncc3)c2c1 |w:12.13|
73485 COc1ccc(CNC2CCCc3ccccc23)cc1OC
73486 O=C(CCCN1C(=O)c2cccc3cccc(C1=O)c23)N1CCN(CC1)c1ccccc1
73487 Cc1ccc(C)c(c1)C(=O)COC(=O)CCCC(=O)Nc1cc(ccc1Cl)C(F)(F)F
73488 COc1cc(CNCCc2ccccc2)ccc1OCC(N)=O
73489 Cc1cc(C)cc(NC(=S)N2CCN(CC2)c2ncccn2)c1
73490 CCN1CCN(CC1)c1nc(N)c(c(Nc2ccc(C)cc2)n1)[N+]([O-])=O
73491 Cc1ccc(SCCCCN2CCNCC2)cc1
73492 Oc1c(cnc2ccccc12)[N+]([O-])=O
73493 CN(CCOC(=O)c1cccc(F)c1)Cc1ccccc1
73494 [O-][N+](=O)c1ccccc1\C=C\C=C1/N=C(OC1=O)c1ccccc1 |c:14|
73495 Cc1cc(Oc2ccc(C)c(Cl)c2)nc(SCC(=O)c2ccccc2)n1
73496 CCc1ccc(nc1)C(=O)NN=Cc1ccc(Cl)cc1Cl
73497 O=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccccc1
73498 O=C(CSc1nc(CCC2CCCC2)nc2ccccc12)NCc1ccc2OCOc2c1
73499 ClCc1nnc(o1)-c1ccccc1
73500 CC(=NNC(=O)CSc1nc(C)cc(C)n1)c1cccs1 |w:2.2|
73501 [#6]-c1ccc(cc1)-[#6](=O)-[#7]\[#6](=[#6](\Cl)Cl)S(=O)(=O)c1ccccc1
73502 Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NN=Cc1ccco1
73503 Clc1ccc(NC(=O)Nc2cc(ccc2Cl)C(=O)NC2CC2)cc1Cl
73504 OCCn1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O
73505 Brc1ccccc1C(=O)N\C(=C/c1ccco1)C(=O)NCCc1nc2ccccc2[nH]1
73506 COC(CNC(=O)C(=O)NCC1OCCN1C(=O)c1ccc(Cl)cc1)OC
73507 CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(CC)SC(CC)C2=O)cc1
73508 CN(Cc1ccccc1)C(=O)COc1ccc(C)nc1[N+]([O-])=O
73509 COc1cc(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c(C)cc1[N+]([O-])=O
73510 Cc1ccc(cc1F)C(NC(=O)NCc1ccccc1)C(Cl)Cl
73511 CC1CCCC(C)N1C(=O)c1cc2ncc(CCCl)cn2n1
73512 [O-][N+](=O)c1cccc(\C=C/C=N/NC(=O)c2ccccn2)c1
73513 CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)O1 |(15.29,8.65,;14.52,7.32,;15.85,6.55,;13.53,8.49,;13.75,5.98,;12.57,6.97,;15.08,5.21,;15.08,3.67,;16.42,2.9,;13.75,2.9,;13.75,1.36,;12.42,.59,;11.08,1.36,;9.75,.59,;9.75,-.95,;8.41,-1.72,;8.41,-3.26,;7.08,-4.03,;5.75,-3.26,;7.08,-5.57,;5.75,-6.34,;4.41,-5.57,;3.08,-6.34,;3.08,-7.88,;4.41,-8.65,;5.75,-7.88,;11.08,-1.72,;12.42,-.95,;12.42,3.67,;11.08,2.9,;12.42,5.21,)|
73514 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(c1)N(C)S(C)(=O)=O)S(=O)(=O)c1ccccc1
73515 C\C(NNC(=O)c1ccncc1)=c1\cc2C=CC(=O)C=c2oc1=O |c:16,20|
73516 COc1ccc2c(COC(=O)CC3Sc4ccccc4NC3=O)cc(=O)oc2c1
73517 Cc1cc(OCCCC(=O)NCc2cccs2)ccc1Cl
73518 COc1ccc(C)cc1Nc1nc(cs1)-c1c(C)[nH]c2ccccc12
73519 CCOc1ccc(C=NOCC(=O)Nc2cc(C)on2)cc1
73520 CCOc1ccccc1Nc1nnc(SCC(=O)NC(=O)c2cccn2C)s1
73521 Fc1ccc(CN2C3=NCCCN3c3ccccc23)cc1 |t:7|
73522 COc1ccc(cc1)N=CCC(=O)c1ccc(Cl)cc1 |w:8.8|
73523 CC(CC(=O)Nc1cccc(F)c1)=NNC(=O)C(=O)NC1CCCCC1 |w:13.14|
73524 CCN(C(=O)Nc1ccccc1)c1ccccc1
73525 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]=[#6]-[#6]=[#6]\[#6]-1=[#6]\[#6]=[#6](\C#N)C#N |c:7,9|
73526 Cc1cc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c(cc1C)[N+]([O-])=O
73527 Fc1cc(F)c(F)c(NNC(=O)Cc2ccc(Cl)cc2)c1F
73528 CCOc1cc(ccc1OCC(=O)N1CCOCC1)C(=O)OCC(=O)Nc1cccc(C)c1
73529 Cc1cccc(NC(=O)COC(=O)Cc2cccc(c2)C(F)(F)F)c1C
73530 COc1cc2c(cc1NC(=O)COC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)oc1ccccc21
73531 O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1cccc2ccccc12
73532 COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C2CC2C)cc1
73533 Cc1c(oc2c(cccc2c1=O)C(=O)OCC(=O)Nc1ccc(cc1)C(N)=O)-c1ccccc1
73534 Fc1cccc(c1)C(=O)Oc1ccccc1\C=C/C(=O)c1cc2ccccc2o1
73535 Cc1ccc(SCc2nc(N)nc(Nc3ccccc3C)n2)c(C)c1
73536 CCCCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
73537 Fc1cc(Br)ccc1NC(=S)NCC=C
73538 FC(F)(F)c1cccc(CC(=O)OCC(=O)Nc2ccc3OCCOc3c2)c1
73539 Cn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1
73540 FC(F)(F)c1ccc(=O)n(CC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)c1
73541 CCCC(=NNC(=O)c1cccc(Cl)c1)c1ccccc1 |w:4.4|
73542 CCCCc1c(O)c2ccccc2n(CCCC)c1=O
73543 Cn1c(N)c(C(c2ccccc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
73544 CCOc1ccccc1OCCNC1CCCC1
73545 C[C+]([N-]Nc1nc(O)c(C)s1)c1ccc(cc1)[N+]([O-])=O
73546 COc1cc(CN=O)c(Br)cc1OCC(=O)Nc1ccccc1C
73547 [O-][N+](=O)c1ccc(F)c(NC(=O)C2CC2)c1
73548 COc1cc(\C=C\C(=O)N2CCCC2)cc(OC)c1OC
73549 [H][C@]12CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@]1([H])c1cc(C(=O)N3CCCC3)n(CCc3ccccn3)c1C2
73550 Cc1cc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)nn1C
73551 COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
73552 CC1=CC2=NC(=O)CC(C)(N2C=C1)C(=O)N(CC(=O)NC1CCCC1)c1ccccc1C |c:12,t:1,3|
73553 Cc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
73554 COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NCc3ccco3)c2=O)c(OC)c1
73555 CN(C)c1ccc([CH+][N-]NC(N)=S)cc1[N+]([O-])=O
73556 Cc1nc(cs1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1cc(F)ccc1F
73557 CC(=O)Nc1ccc(NC(=O)CSc2nnc(o2)-c2ccco2)cc1
73558 O=C(NNC(=O)c1ccncc1)C1CCCN(C1)c1ncccn1
73559 Cc1cccc(NC(=O)CN2C(=O)N\C(=C/c3ccc(o3)-c3cccc(c3)C(O)=O)C2=O)c1
73560 Clc1ccc(Br)cc1C(=O)N1CCCC1
73561 O=C(CCc1nnc(CCC2CCCCC2)o1)NCCn1cccn1
73562 CC(N1C(=O)COc2ccc(C)cc12)C(=O)NCc1cccs1
73563 CC(C)c1onc(C(=O)N2CCCCCC2)c1[N+]([O-])=O
73564 COc1cc2NC(=O)CC(c3cccc(C)c3)c2cc1OC
73565 CCn1ccnc1CN(C)Cc1cn(nc1-c1ccccc1)-c1cc(C)ccc1C
73566 [O-][N+](=O)c1ccc(\C=N\NC(=O)CNC(=O)c2cccc(F)c2)s1
73567 Cc1nc([nH]c(=O)c1Cc1ccccc1)N1CCc2ccccc2C1
73568 COc1ccc2nc(NC(=O)Cn3cnc4ccccc4c3=O)sc2c1
73569 Brc1ccc2[nH]c(=S)n(Cc3ccc(cc3)C(=O)N3CCN(CC3)C3CCCCC3)c(=O)c2c1
73570 COc1ccc(N=C2C(Cl)C(=O)N(C2=O)c2ccccc2)c(OC)c1 |w:6.5|
73571 CCN(Cc1nc(no1)-c1ccc(cc1)C(=O)OC)Cc1ccncc1
73572 CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(CCCn2cccn2)CC1
73573 Cc1ncc(n1S(=O)(=O)c1ccc(C)c(C)c1)[N+]([O-])=O
73574 OC(=O)c1ccccc1-c1ccccc1C(=O)NCc1cccc(c1)C(F)(F)F
73575 COc1ccc(cc1)N(CC(=O)Nc1cccc(c1)N(C)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1
73576 CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1
73577 Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)NC1CCCCC1
73578 Cc1ccc(cc1)S(=O)(=O)NNC(=O)CCCCC(=O)NNS(=O)(=O)c1ccc(C)cc1
73579 Cc1cc(C)nc(n1)-n1ncc(C#N)c1N
73580 O=C(NN=Cc1ccco1)c1cc(=O)[nH]c2ccccc12
73581 NC(=O)C1CCN(CC1)C(=S)c1ccc(o1)-c1ccc(Br)cc1
73582 COCCNC(=O)C(=O)NNC(=O)COc1ccc(OC)cc1
73583 CN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2c1
73584 CCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1
73585 COc1ccc(c(Cl)c1Cl)S(=O)(=O)Nc1cccnc1
73586 [#6]-[#6]-c1nnc(-[#7]S(=O)(=O)c2ccc(-[#7]\[#6]=[#6]-3/[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-3=O)cc2)s1
73587 O=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCOCC1
73588 CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN(C)C)c1
73589 Clc1cccc(CNC(=O)c2ccc3N4CCS(=O)(=O)N=C4Sc3c2)c1 |c:20|
73590 COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(c1)[N+]([O-])=O
73591 COc1cc(\C=C2/SC(=O)N(CCNC(=O)c3sc4cc(F)ccc4c3Cl)C2=O)cc(OC)c1OC
73592 OC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2Cl)cc1 |(3.08,-8.43,;4.41,-7.66,;5.75,-8.43,;4.41,-6.12,;3.08,-5.35,;3.08,-3.81,;4.41,-3.04,;4.41,-1.5,;5.75,-.73,;7.08,-1.5,;5.75,.81,;7.08,1.58,;7.08,3.12,;5.84,4.02,;6.31,5.49,;7.85,5.49,;8.76,6.73,;8.13,8.14,;9.04,9.39,;10.57,9.23,;11.19,7.82,;10.29,6.57,;8.33,4.02,;9.79,3.55,;10.94,4.58,;12.4,4.1,;12.72,2.6,;11.58,1.57,;10.11,2.04,;8.97,1.01,;5.75,-3.81,;5.75,-5.35,)|
73593 [H]C12C=CC([H])(C3C1C(=O)N(C3=O)c1ccc(OC(C)=O)c(c1)[N+]([O-])=O)C21CC1 |c:2,TLB:8:7:26:3.2,THB:11:6:26:3.2|
73594 CC1Cc2ccccc2N1C(=O)Nc1ccccc1C
73595 CC1(C)CC(=O)c2cnc(NC3CC3)nc2C1
73596 Cc1ccc(NC(=S)N2CCCC(CO)C2)c(C)c1
73597 Cc1ccc(s1)C(=O)CC1(O)C(=O)Nc2ccc(C)cc12
73598 Cc1cc(nc2c(Br)c(=O)[nH]n12)-c1ccccc1
73599 CCCN(CCC)C(=O)C1CC(=O)OC11CCCCC1
73600 COc1ccccc1C(=O)Nc1ccc2n3CCN(Cc4ccccc4)Cc3nc2c1
73601 O=c1cc(CN2CCCCCC2)nc2sccn12
73602 COC(=O)c1ccccc1NC(=O)NCc1ccncc1
73603 Cc1ccc(NC(=O)Nc2ccc(F)cc2F)c(OC(F)F)c1
73604 Cc1ccccc1NC(=O)CSc1nnc([nH]1)-c1ccco1
73605 OC(=O)c1ccc(NC(=O)c2cccc(NC(=O)Cc3cccs3)c2)cc1
73606 Cc1[nH]c(=S)[nH]c(=O)c1CCCO
73607 CCOCC(=O)Nc1cc(ccc1OC)[N+]([O-])=O
73608 CC(N(c1ccccc1)S(C)(=O)=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
73609 CCC(C(O)=O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
73610 COc1ccc(cc1)N(CC(=O)NN=Cc1cc(Br)c(C)o1)S(=O)(=O)c1ccc(NC(C)=O)cc1
73611 O=C(NC(=S)NCc1ccccc1)C1CC1
73612 CSc1ncccc1C(=O)N1CCCC(CCC(=O)NCc2ccc(F)c(F)c2)C1
73613 COc1cccc(CCNC(=O)CC2N(CC(C)(C)C)CCNC2=O)c1
73614 Cc1oc(nc1CN1CCC(CO)(CCOc2ccccc2)CC1)-c1cccs1
73615 CC(C)CN1CCN(Cc2ccc(CN3CCCCC3)s2)CC1CCO
73616 CCc1noc(C)c1C(=O)N1CCCC(C1)C(=O)c1ccc(OC)c(F)c1
73617 CC(NC(=O)c1cc(COc2c(F)cccc2F)on1)c1cnn(c1)-c1ccccc1
73618 Cc1cc(nc(C)n1)C(=O)N1CCCC(C1)C(=O)c1cccc(c1)C(F)(F)F
73619 C(C1CCCN(Cc2cn(nc2-c2ccc3OCOc3c2)-c2ccccc2)C1)N1CCCC1
73620 CC(C)c1nc(cs1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
73621 COc1cccc(c1)-c1nn(cc1CN(C)Cc1c(C)nc2ccccn12)-c1ccccc1
73622 O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OCCO2
73623 CC(C)C(=O)NC(c1ccc(cc1)N(C)C)c1c(O)ccc2ccccc12
73624 Cc1[nH]c(=O)c(C#N)c(C)c1[N+]([O-])=O
73625 Cc1ccccc1C(=O)Nc1sc2CCCc2c1C(O)=O
73626 COc1ccc(Nc2nc3ccccc3c(=O)[nH]2)cc1
73627 Cc1sc2nc(SCc3ccc(cc3)C(=O)NCCO)n(CC=C)c(=O)c2c1C
73628 COc1ccc(cc1)-c1csc2ncn(CC(=O)N3CCOCC3)c(=O)c12
73629 CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
73630 CC(=O)Nc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1
73631 NNC(=O)CCc1nc2ccc(O)cc2[nH]1
73632 Cc1cc(C)c(NC(=O)c2cc(ccc2C(O)=O)C(O)=O)c(c1)[N+]([O-])=O
73633 Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1cccs1
73634 CCOC(=O)N1CC(=O)Nc2ccc(Br)cc2C1c1ccccc1
73635 COc1ccccc1NC(=O)C(\NC(=O)c1ccco1)=C/c1cccs1
73636 CCOc1ccc(CC(=O)Nc2nccs2)cc1OCC
73637 COc1cc(cc(OC)c1OC)C(=O)NCCCn1ccnc1
73638 COc1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1
73639 COc1ccc(cc1)C(N)=NOC(=O)N1CCOCC1 |w:10.11|
73640 CCOc1ccccc1Cn1c2ccccc2sc1=O
73641 COc1ccccc1NC(=O)C(=O)NN=C(C)CC(=O)Nc1ccccn1 |w:14.14|
73642 CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1C
73643 CCC(N1CCC(CC1)C(N)=O)c1nnnn1C1CCCC1
73644 CC(C)C(N1CCC(CC1)C(N)=O)c1nnnn1Cc1ccc(F)cc1
73645 [O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)N2CCCCC2)cc1
73646 COC(=O)C(CCCN1C(=O)c2ccccc2C1=O)(NC(C)=O)c1nnn[nH]1
73647 COCCN(C(=O)\C=C\c1ccccc1)c1nnc(s1)-c1cccnc1
73648 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1CCN(CC1)S(C)(=O)=O
73649 CCOc1nc(NCC=C)nc(Nc2ccccc2F)n1
73650 O=C1NC(=S)NC(=O)C1C1CCCCC1
73651 [#6]-[#6]\[#7+](-[#6]-[#6])=[#6](/[#16]-c1ccccc1)\[#6](=[#6](/Cl)-[#6-](Cl)Cl)\[#7+](-[#8-])=O
73652 Cc1ccccc1OCC(=O)NN=Cc1ccccn1
73653 CC(C=CC=Cc1ccccc1)=NNC(=O)c1cncc(Br)c1 |w:12.13,5.5,2.1|
73654 Cc1nonc1OCCNCCNc1ccccc1[N+]([O-])=O
73655 Cc1ccnc(NC(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)c1
73656 Cc1cc(cc2c1NC(=O)C2(O)N1CCOCC1)[N+]([O-])=O
73657 Cc1[n-][o+]nc1OCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
73658 [O-][N+](=O)c1ccc(NC(=O)CCOc2ccccc2)cc1
73659 O=[#7+]\[#6]=[#6]-1\[#6]=[#6]-[#7](-[#6]-[#6](=O)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]=[#6]-1 |c:4,18|
73660 CCCCCCC1(C)NN(C(=S)N1)c1ccccc1
73661 Cc1c(C=NNC(=O)c2cccnc2)c2ccccc2n1Cc1ccccc1 |w:4.4|
73662 COc1cccc2cc(oc12)C(C)N(CCCN1CCOCC1)C(=S)Nc1cccc(C)c1
73663 CCOc1ccc(cc1)-n1c(O)c2ON(C(c3ccco3)c2c1O)c1ccccc1
73664 Fc1ccccc1NC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
73665 CN(Cc1ccccc1)C(=O)C1CCCN1S(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1
73666 CC(C)C1COC(=N1)c1cccn1Cc1ccccc1Cl |c:6|
73667 Cc1cccc(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
73668 Fc1cccc(NC(=O)CCn2c3ccccc3oc2=S)c1
73669 CCOC(=O)N1CCC(CC1)NC(=O)c1cc(ccc1CO)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
73670 CCCCC(C(N)Cc1ccc(F)cc1)C(=O)OCC
73671 [#6]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
73672 CC1(C)CNC(=O)CC(C)(C)N1
73673 O=C(NCCc1ccccc1)c1cnc2SCCn2c1=O
73674 CCN(CC)CCN(C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2ccc(OC)cc2s1
73675 Cc1nnsc1C(=O)Nc1cccc(Cl)c1
73676 FC(F)(F)c1cccc(CSc2nc3ccccn3c(=O)n2)c1
73677 CN(C(=O)CS(=O)(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1
73678 Cc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
73679 Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)c1ccccc1F
73680 [#6]-[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]\[#7]=[#6](\c1ccccc1)-c1ccccc1
73681 Fc1ccc(cc1)S(=O)CC(=O)Nc1ccccc1Cl
73682 NC(=S)Nc1ncc(cc1Cl)C(F)(F)F
73683 Cc1cc(C)cc(NC(=O)C(=S)NCc2ccccc2)c1
73684 Cn1[nH]c(c(CN=O)c1=O)-c1ccccc1
73685 Cc1cc(n(n1)-c1nc(c(CC(O)=O)s1)-c1ccccc1)C(F)(F)F
73686 CS\C(=N/C#N)N1CCN(CC1)c1ccccn1
73687 CC1(C)CNC(=O)c2sc(NC(=O)c3ccccc3)nc2C1
73688 CC(=O)c1cnc(s1)-c1ccccn1
73689 CCn1c(NC(=O)C(C)C)c2ccccc2nc1=O
73690 CC(Oc1cccc(Cl)c1)c1ccnc2nc(N=CN(C)C)nn12
73691 COC(=O)c1cc2C(=O)N(Cc3cccc(OC)c3)CCn2n1
73692 CN(CCO)c1cnccn1
73693 COC(=O)c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12
73694 Fc1cccc(F)c1-n1c(CN2CCCC2)csc1=S |(3.12,-1.04,;4.46,-1.81,;4.46,-3.35,;5.79,-4.12,;7.12,-3.35,;7.12,-1.81,;8.46,-1.04,;5.79,-1.04,;5.79,.5,;7.04,1.41,;8.5,.93,;9.65,1.96,;11.15,1.64,;11.92,2.97,;10.89,4.12,;9.48,3.49,;6.56,2.87,;5.02,2.87,;4.54,1.41,;3.08,.93,)|
73695 Cc1n[nH]c(SCC(=O)NCCc2ccccc2)c1[N+]([O-])=O
73696 Fc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c[nH]cn1
73697 COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c[nH]cn1
73698 Fc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 |w:11.11|
73699 C[N+](C)(C)CCc1ccc(O)cc1
73700 COc1ccc(NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2C)cc1
73701 Nc1nc(N)c(Cc2ccc(Cl)cc2Cl)c(N)n1
73702 CCNc1nc(NCC)nc(N=NCc2ccc(cc2)N(C)C)n1 |w:11.10|
73703 Cc1cc(NC(=S)NC(=O)c2ccco2)c2ccccc2n1
73704 CC1CC1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
73705 COCCNC(=O)NC(=O)CN1CCCc2ccccc12
73706 COCCOC(=O)C1=C(C)N(C(=S)NC1c1ccccc1C(F)(F)F)c1ccccc1 |c:7|
73707 CCN(CC(=O)Nc1ccc(cc1)N1CCOCC1)C(=O)COc1ccccc1OC
73708 Clc1ccc(Cl)c(n1)C(=O)OCC(=O)NCc1ccccc1
73709 O=C(CNC(=O)C1CCCCC1)OCn1nnc2ccccc2c1=O
73710 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccccc1C(=O)c1ccccc1
73711 COc1ccccc1NC(=O)COC(=O)\C=C\c1ccc2OCOc2c1
73712 Brc1ccc(\C=C\C(=O)Nc2nccs2)o1
73713 CCn1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)c(=O)c2ccc(C)nc12
73714 [H]C12CCC3(C)C1(C)COC3(C2)C(=O)Nc1ccc2ccccc2c1 |TLB:3:4:1.11:9.8,2:1:4:9.8,THB:8:6:10.11:3.2,5:4:1.11:9.8,7:6:10.11:3.2|
73715 Cn1c2ccccc2sc1=NC(=O)C1=NNC(=O)CC1 |w:10.12,t:15|
73716 CCOC(=O)c1ccc(cc1)\N=c1/scc(C)n1CC
73717 CN(C)C(C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1
73718 CC(=O)N(N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1)C(C)=O
73719 [#6]-[#7]-1\[#6](=[#6]/[#6]=[#6](/C#N)C#N)C([#6])([#6])c2ccccc-12
73720 CSc1nc(cn1-c1ccc(NC(C)=O)cc1)-c1ccccc1
73721 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1ccc(OC)cc1OC |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
73722 [O-][n+]1ccc(cc1)C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
73723 COC(=O)c1cc(NC(=O)c2ccccc2F)cc(c1)C(=O)OC
73724 Cc1cc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)no1
73725 Oc1ccccc1N1CCN(CC1)C(=S)NCc1ccccc1
73726 CC(OC(=O)c1ccc(cc1)S(=O)(=O)N(C)C)C(=O)Nc1ccc(Cl)cn1
73727 CSCCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(O)=O
73728 O=C(CSC1=NCCS1)NC(NC(=O)CSC1=NCCS1)c1ccccc1 |t:4,17|
73729 COc1cc(\C=C\C(=O)OCC(=O)NC(=O)NC(C)C)cc(c1OC)S(=O)(=O)N1CCc2ccccc12
73730 CC(C)(CN1CCc2ccccc2C1)NS(=O)(=O)c1ccc(Cl)cc1
73731 CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1
73732 Oc1ccccc1N1CCN(CC1)C(=S)Nc1ccc(SC(F)F)cc1
73733 O=S(=O)(NC(=S)NC1CCCCC1)c1ccccc1
73734 NNC(=O)C1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1
73735 OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc(c1)C(F)(F)F
73736 COc1ccccc1CNC(=O)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
73737 COc1ccc(cc1)N1CCN(CCNC(=O)CCCn2c(=O)[nH]c3cc(Cl)ccc3c2=O)CC1
73738 CSc1ccccc1NC(=O)Cn1ccsc1=N
73739 COC(=O)C1CCN(CC1)C(=O)c1ccc(Cl)c(c1)S(=O)(=O)NCc1cccnc1
73740 CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1
73741 CCN(CC)CCCN1C(C(C(=O)c2ccccc2)C(=O)C1=O)c1cc(OC)ccc1OC
73742 CCO[C@H]1OC(=C[C@@H](C2CCCCC2)[C@@H]1CCCO)C(=O)NCc1nc2ccccc2[nH]1 |c:5|
73743 O=C(Nc1nncs1)\C=C\c1cccs1
73744 Cc1ccc(o1)C(=O)N1C(=O)c2cccc(N)c2C1=O
73745 Clc1ccc(CNC(=O)COC(=O)c2cncc(Br)c2)cc1
73746 OC(=O)C(CC(N=O)c1ccc(Br)cc1)P(=O)(c1ccccc1)c1ccccc1
73747 NC(=O)COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
73748 CCCOc1ccc(C=NNC(=O)CSc2ccccn2)cc1OC
73749 NC(=NOC(=O)c1cccc2ccccc12)c1ccccn1 |w:2.2|
73750 CN1C(C)=C(C(NC1=O)c1ccccc1C(F)(F)F)[N+]([O-])=O |c:3|
73751 Cc1ccc(c(C)c1)-n1c(O)c2[nH][nH]c(C(=O)CN3C(=O)c4ccccc4C3=O)c2c1=O |(16.23,-6.57,;15.76,-5.11,;16.78,-3.96,;16.31,-2.5,;14.8,-2.18,;13.77,-3.33,;12.26,-3.01,;14.25,-4.79,;14.32,-.72,;15.22,.53,;16.76,.53,;14.32,1.77,;14.31,3.31,;12.85,3.77,;11.95,2.54,;10.41,2.54,;9.64,1.2,;9.64,3.87,;8.1,3.87,;7.2,5.11,;7.68,6.57,;5.75,4.64,;4.41,5.41,;3.08,4.64,;3.08,3.1,;4.41,2.33,;5.75,3.1,;7.2,2.63,;7.68,1.17,;12.85,1.3,;12.85,-.24,;11.61,-1.15,)|
73752 COc1ccccc1-n1c(O)c2[nH][nH]c(C(=O)CN3C(=O)c4ccccc4C3=O)c2c1=O |(11.24,-4.89,;12.26,-3.74,;13.77,-4.06,;14.25,-5.52,;15.76,-5.84,;16.78,-4.69,;16.31,-3.23,;14.8,-2.91,;14.32,-1.45,;15.22,-.2,;16.76,-.2,;14.32,1.04,;14.31,2.57,;12.85,3.04,;11.95,1.8,;10.41,1.8,;9.64,.47,;9.64,3.14,;8.1,3.14,;7.2,4.38,;7.68,5.84,;5.75,3.91,;4.41,4.68,;3.08,3.91,;3.08,2.37,;4.41,1.6,;5.75,2.37,;7.2,1.9,;7.68,.43,;12.85,.56,;12.85,-.98,;11.61,-1.88,)|
73753 [O-][N+](=O)c1cccc(c1)C(=O)c1ccc2OCCOCCOCCOCCOc2c1
73754 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)NC(=O)c1ccccc1
73755 Cc1ccc(NC(=O)C(\NC(=O)c2ccco2)=C/c2ccccc2)cc1
73756 CCc1cc(c(O)cc1OC)-c1nc(N)ncc1-c1ccc(Br)cc1
73757 CCC(C)[C@H](NC(=O)NCCC1=CCCCC1)C(O)=O |t:11|
73758 CN1CCc2c(C1)sc(N=Cc1c[nH]c3ccccc13)c2C#N |w:9.9|
73759 COc1ccc(CC(=O)NN=Cc2ccc(o2)-c2cccc(c2)C(O)=O)cc1OC
73760 COCCCn1c(=O)c(=Cc2ccc(OC(F)F)c(OC)c2)sc1=C(C#N)C(N)=O
73761 Cc1cc(O)c(C(=O)C=Cc2cccc(c2)[N+]([O-])=O)c(=O)o1 |w:9.9|
73762 CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2c(F)cccc2Cl)o1
73763 CN(C)c1ccc(cc1)P(=O)(OCc1ccccc1)C(O)c1ccc(C)cc1
73764 CN(C)CCN1C(C(C(=O)c2c(C)nc3c(C)cccn23)C(=O)C1=O)c1ccccc1
73765 COc1ccc(CCN2C3CS(=O)(=O)CC3SC2=NC(=O)CC(C)C)cc1OC |w:18.20|
73766 CC(=O)Oc1cccc(\C=C2/Sc3ccccc3C2=O)c1
73767 Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
73768 CC(C)N1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:8.8|
73769 CC(C)(C)c1ccc(SCCc2cccnc2)cc1
73770 O=C(\C(=C/[C-](C#N)C#N)[n+]1ccccc1)c1ccccc1
73771 CC1CCCC(O)(CNC(C)=O)C1
73772 N#CC12CNCC1CN=N2 |c:9|
73773 Cc1ccc(cc1)-n1c(O)c(C=NCCCn2ccnc2)c(=O)[nH]c1=O |w:12.13|
73774 Cc1cc(=O)[nH]c(N)n1
73775 Cc1ccc(cc1)-c1ccc(\C=C(/C#N)C(N)=S)n1C
73776 CN(C)c1ccc(\C=C2/S\C(=N\CC=C)N(CC=C)C2=O)cc1
73777 CCN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:7.7|
73778 COC(=O)c1ccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1
73779 Oc1cccc(C=NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1
73780 OC(=O)CCNC(=O)CCCn1nnc2ccccc2c1=O
73781 CCN1CCN(CC1)C(c1nnnn1CCc1ccc(OC)c(OC)c1)c1ccccc1
73782 NC(=O)C1CCN(CC1)C(c1nnnn1Cc1ccc2OCOc2c1)c1ccccc1Cl
73783 Cc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1S(=O)(=O)N1CCOCC1
73784 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(s3)[N+]([O-])=O)sc2c1
73785 [H]C12CC3([H])CC([H])(C1)CC(CCN1[C@H](CNC1=S)C(C)CC)(C2)C3 |TLB:5:3:23:6.9.8,THB:2:1:9:3.24.5,2:3:9:1.23.8|
73786 [#6]-[#6](=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccc(-[#6])c(-[#6])c1 |w:2.2|
73787 O=C(CN1CCN(CC1)c1ccccn1)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
73788 NNc1ccc(Cl)c(c1)C(O)=O
73789 Cc1cc2nc3c(nc2cc1N)[nH]c(=O)n(Cc1ccccc1)c3=O
73790 OC(=O)Cc1sc(N=NCc2ccccn2)nc1O |w:7.6|
73791 OC(=O)c1cccc(Cn2c(Cl)c(C=NNC(=O)c3ccccc3O)sc2=O)c1
73792 COc1ccc(CCN2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)cc1OC |w:15.15|
73793 COc1ccc(Cl)cc1NC(=O)c1cc(n[nH]1)-c1ccc(C)cc1O
73794 COc1ccc(C(C)=NN2CCOCC2)c(O)c1 |w:8.8|
73795 O=C(NC1CCCCC1)C1(CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1
73796 O=C(N1CCC2(CC1)OCCO2)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
73797 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCN1CCOCC1 |c:31,t:5,7|
73798 COCCN1C=C2C(=CC(=O)C(C)(OC(=O)CCc3ccccc3)C2=O)C=C1c1ccc(cc1)C#N |c:5,7,28|
73799 COC(=O)CCCC1=CC2=C(C(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CC1)c1ccccc1 |c:27,t:7,9|
73800 O=C(CN1CCOCC1)Nc1nc(cs1)-c1ccc2N(CCc2c1)S(=O)(=O)c1ccccc1
73801 COCCNC(=O)CN(Cc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1nccs1
73802 COc1ccc(\C=C\C(=O)Nc2nnc(s2)C(C)C)cc1OC
73803 CCCc1c(cnn1-c1ccccc1)C(=O)NNc1ccccc1OC
73804 Cc1cc(C)cc(NC(=O)Nc2ccccc2N2CCCCC2)c1
73805 CCOC(=O)c1cc(nc(SC)c1C#N)C(C)(C)C
73806 COCCCn1c(=O)cc(C)[nH]c1=S
73807 COC(=O)c1cc(OC)nc(OC)c1
73808 [H]C12CC(NC(=S)N3CCC(CC3)C(=O)OCC)C([H])(C1)C=C2 |c:23,THB:4:3:20:21.22|
73809 CCOC(=O)C(C(Nc1ccc(F)cc1)c1ccccn1)c1ccccc1
73810 Cc1cc(CSC(N)=N)c(CSC(N)=N)cc1C
73811 CC(=O)c1nnn(c1C)-c1ccc(Cl)cc1C#N
73812 Cc1cc(C)cc(NC(=O)N2CCCN(CC2)c2ncccc2[N+]([O-])=O)c1
73813 COc1cc(C)nc(n1)-c1csc(C)n1
73814 Cc1noc2c(C)nn(-c3ccc(C)cc3)c(=O)c12
73815 CNc1nnc(s1)C(F)(F)F
73816 COc1cccc(Cl)c1NC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
73817 FC(F)(F)c1cccnc1-n1cncn1
73818 CSc1nnc(o1)-c1ccc(cn1)C(F)(F)F
73819 CSCC(O)Cn1[nH]c(=O)c2cc(Cl)c(Cl)cc2c1=O
73820 CC(C)(C)C(=O)Nc1ccc(F)cc1[N+]([O-])=O
73821 CN(C)c1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:20|
73822 CC12CCC3C(CCC4=Cc5oncc5CC34C)C1CC[C@@]2(O)C#C |t:8|
73823 C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
73824 CC(C)N(Cc1ccc(cc1)N(C)C)C(=O)c1c(C)onc1-c1ccccc1Cl
73825 CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
73826 Clc1ccc(CC(=O)N2CCc3ccccc3C2)cc1
73827 Cc1ccc(Sc2ncccc2N)cc1
73828 COc1ccccc1C(=O)CC(=O)c1ccccc1
73829 CCOC(=O)c1cc2cc3ccccc3cc2oc1=O
73830 COc1ccc(cn1)-n1c(C)ccc1-c1ccccc1
73831 COC(=O)c1ccc(SCc2ccccc2)nc1
73832 CC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)cc1
73833 CN(C)C(=NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
73834 CCOc1cc(ccc1OCc1ccccc1)C(=S)N1CCCC1
73835 Fc1ccc(COc2ccc(cc2)C(=S)N2CCCC2)cc1
73836 OC(COc1ccccc1CC=C)CN1C(=O)c2ccccc2C1=O
73837 CCOC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(cc1)C(C)(C)C
73838 CCOC(=O)C1C(C(C(=O)OCC)C(=O)C=C1C)c1cccc(c1)[N+]([O-])=O |c:15|
73839 Cc1ccc(C)c(NC(=O)CSc2cccc3cccnc23)c1
73840 Brc1ccccc1NC(=O)Cc1ccc2ccccc2c1
73841 CN1CCCN(CC1)C(=O)c1cccc(Br)c1
73842 COC(=O)CSc1nnc(CCc2ccccc2)n1C
73843 Fc1ccccc1N1CCN(CC(=O)NCc2ccccc2)CC1
73844 COc1ccc2oc(=O)c(cc2c1)C(=O)NCCc1ccc(OC)c(OC)c1
73845 Cc1cc(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)c1
73846 COc1cc(CN2CCC(Cc3ccccc3)CC2)cc(c1O)[N+]([O-])=O
73847 Cc1ccccc1CN1CCN(CC(=O)NCc2ccccc2)CC1
73848 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)NC(CC)c1ccc(C)cc1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
73849 CCc1ccc(cc1)C(C)NC(=O)c1ccncc1
73850 CCOc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
73851 CCCCN1C(=O)C2(OCCCO2)c2cccc(C)c12
73852 CN(C)C(=O)Cn1c2ccccc2n(c1=O)S(=O)(=O)c1ccccc1
73853 Clc1ccc(C(=O)CC=Nc2ccccc2)c(Cl)c1 |w:9.9|
73854 COc1ccccc1N1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
73855 COC(=O)C(Cc1ccccc1)NC(=O)CCC(=O)NC(C)CCc1ccccc1
73856 COc1ccc2[nH]cc(CCNC(=O)C3CCCCC3)c2c1
73857 CC(C(=O)O[N-]C(=[NH2+])c1ccc(C)cc1)c1ccc(cc1)[N+]([O-])=O
73858 COc1ccc(Cl)cc1C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
73859 COc1ccc(cc1)N=CCC(=O)c1cc(OC)c(OC)c(OC)c1 |w:8.8|
73860 CCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C
73861 COc1ccccc1C=CC(=O)NC(=S)Nc1ccccn1 |w:8.8|
73862 S=C(NCc1ccccc1)NN=Cc1cccs1 |w:11.11|
73863 Cc1cccc(N2CCN(CC2)C(=O)Cc2ccccc2[N+]([O-])=O)c1C
73864 CCOC(=O)N1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
73865 COc1cc(ccc1-n1c(O)cc(Sc2nccc(C)n2)c1O)[N+]([O-])=O |(3.08,-2.76,;4.41,-1.99,;5.75,-2.76,;5.75,-4.3,;7.08,-5.07,;8.41,-4.3,;8.41,-2.76,;7.08,-1.99,;7.08,-.45,;5.84,.45,;4.37,-.02,;6.31,1.92,;7.85,1.92,;8.76,3.16,;8.13,4.57,;9.04,5.82,;8.41,7.22,;6.88,7.38,;5.97,6.14,;4.44,6.3,;6.6,4.73,;8.33,.45,;9.79,-.02,;7.08,-6.61,;8.41,-7.38,;5.75,-7.38,)|
73866 COc1ccccc1N1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1
73867 CCc1n(nc2ccccc12)-c1ccccc1C(=O)C(C)=O
73868 Cc1cc(C)nc(Sc2cc(O)n(c2O)-c2ccc(C)c(C)c2)n1
73869 Fc1ccc(CCNC(=O)CCc2ccccc2)cc1
73870 COc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1O
73871 CC1(C)CC(C)(c2ccccc2)c2ccccc2N1C(N)=O
73872 CC(NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1
73873 COc1ccc(cc1)C(N(CCO)C(=O)c1snc(C(N)=O)c1N)C(=O)NCCC(C)C
73874 CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(C1)c1ccccc1 |t:1|
73875 Clc1ccc(cc1)-n1c(n[nH]c1=S)-c1ccc(Cl)cc1Cl
73876 COc1ccc(OC)c(\C=C2/N=C(OC2=O)c2ccccc2)c1 |c:11|
73877 CCCCCCOc1ccc(\C=C\C(=O)N2CCOCC2)cc1OC
73878 [O-][N+](=O)c1ccccc1NC(=O)C[n+]1ccccc1
73879 COC(=O)c1cc(NC(=O)c2cc3ccccc3o2)cc(c1)C(=O)OC
73880 CCOc1ccc(cc1)N(CC(=O)Nc1cccc(Br)c1)S(C)(=O)=O
73881 Cc1ccc(cc1)S(=O)(=O)Cc1ccc(cc1)[N+]([O-])=O
73882 CCCOc1ccc(cc1Cc1c(O)[nH]c(=S)[nH]c1=O)C(C)=O
73883 CN(C)CCCNC(=S)N(CCCN(C)C)Cc1cc2cc3OCOc3cc2[nH]c1=O
73884 CCN(CC)C(=O)c1ccc(cc1)S(=O)(=O)c1ccccc1
73885 OC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(Br)cc1
73886 COc1ccccc1NC(=O)c1c(cnn1C)[N+]([O-])=O
73887 CC(=O)C1C(N(C(=O)C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)[N+]([O-])=O
73888 Cc1cccc(Cc2cc(O)n(c2O)-c2ccc(C)cc2Br)c1 |(8.02,7.54,;7.12,6.29,;5.59,6.46,;4.68,5.21,;5.31,3.8,;6.84,3.64,;7.47,2.24,;6.56,.99,;5.02,.99,;4.54,-.48,;3.08,-.95,;5.79,-1.38,;7.04,-.48,;8.5,-.95,;5.79,-2.92,;7.12,-3.69,;7.12,-5.23,;5.79,-6,;5.79,-7.54,;4.46,-5.23,;4.46,-3.69,;3.12,-2.92,;7.74,4.89,)|
73889 Cc1cccnc1Nc1nc(cs1)-c1ccccc1
73890 [H]C12CC([H])(C=C1)C1C2C(=O)N(Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)C1=O |c:5,TLB:25:7:2:5.6,THB:9:8:2:5.6|
73891 Cc1ccc(cc1Cl)C(=O)Nc1cccnc1
73892 CC(CN1CCCC1)OC(=O)C(c1ccccc1)c1ccccc1
73893 Cc1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)c1cccc(F)c1
73894 O=C(C1c2ccccc2Oc2ccccc12)N(CCC#N)CCC#N
73895 O=C(N1CCCCC1)c1cccc2ccccc12
73896 COCCNC(=S)N1CCN(CC1)c1nc(cs1)-c1ccc(F)cc1
73897 COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCO2)c1
73898 Clc1ccc(Cn2cnc3ccccc3c2=O)cc1Cl
73899 CCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1
73900 CCOc1ccc(OCC)c(NC(=O)CN2CCN(CC(=O)NC(C)C)CC2)c1
73901 Cc1ccc(cc1)-c1nc(NCCCO)c2ccccc2n1
73902 CC(C)CC(=O)N1CCN(CC1)C(=O)c1ccc(F)cc1
73903 CCN(CC)C(=O)C1c2ccccc2Oc2ccccc12
73904 COc1cccc(CNCCc2cccc(F)c2)c1OC
73905 Cc1c(CC(O)=O)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12
73906 Clc1ccccc1C1=NOC(C1)C(=O)Nc1ccc2OCCOc2c1 |t:8|
73907 OC(=O)c1sccc1Oc1ccccc1NC(=O)c1ccccc1F
73908 Cc1cc(O)c(C(=O)C=Cc2ccccc2O)c(=O)o1 |w:9.9|
73909 COC(CN(C)C(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1)OC
73910 CCOc1ccc2n(C)c3nc4ccccc4nc3c2c1
73911 CC(C)CN(CCNC(=O)CN1N=C(CCC1=O)c1ccc(C)cc1)CC(C)C |c:12|
73912 COc1ccc(cc1)N1C(SCC1=O)c1cccc(F)c1
73913 Brc1ccc(NC(=O)CCN2CCCCC2)c(c1)C(=O)c1ccccc1
73914 COc1ccc2CCC(=O)c3cccc1c23
73915 CC(N=Nc1nncc2ccccc12)c1ccc(O)cc1 |w:3.3|
73916 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1nc2ccccc2s1
73917 OC(=O)C1(CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
73918 COCCn1c(nc2n(CC(C)C)c(=O)[nH]c(=O)c12)-c1ccc(NC(C)=O)cc1
73919 [H]C12CC3([H])CC(Br)(C1)CC(CC(=O)NC1CCCC1)(C2)C3 |TLB:7:6:21:1.20.2,8:6:21:1.20.2,8:1:21:6.9.5,THB:2:1:9:3.21.5|
73920 COc1ccc(OCCN2CCN(CC2)C(=O)c2ccc(OC)cc2)cc1
73921 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1=O
73922 CC(N=Nc1ccc(Cl)c(c1)C(O)=O)c1ccc(cc1)N1CCOCC1 |w:2.1|
73923 Clc1cccc(c1)N1CCN(CC(=O)NC2CCCc3ccccc23)CC1
73924 COc1ccc(cc1OC)C1(C)NC(=O)N(CC(=O)NCc2ccccc2)C1=O
73925 NC(=O)NC(CC(=O)NCCc1ccccn1)c1ccccc1Cl
73926 OC(=O)C(=C/c1cccc(OCc2ccccc2)c1)\c1ccc(F)cc1
73927 Cc1ccc(cc1)-c1cc(N)nc(c1)-c1ccccc1
73928 CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCCC1
73929 CC(C)(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccccc1
73930 CC(NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccnc1
73931 CC(=O)Nc1ccc(cc1)C(=O)OCCc1ccccc1
73932 OC(=O)c1nn(CCOc2ccc(Br)cc2)c(=O)c2ccccc12
73933 Clc1ccc(OCCNc2ncccc2C#N)cc1
73934 CCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
73935 COc1cc(CN(C)c2ncnc3sccc23)ccc1OC(F)F
73936 COc1cc2ccccc2cc1C(=O)Nc1nccs1
73937 COc1ccc(CNC(=O)CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
73938 Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
73939 OC(=O)c1ccccc1SCc1csc(n1)-c1ccccc1
73940 COc1ccc(OC)c(NC(=O)CC2(CC(O)=O)CCCC2)c1
73941 Fc1cc(Cl)c(cc1F)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
73942 CN(C)CCNC(=O)C(=O)Nc1cc2CCN3c2c(CCC3=O)c1
73943 COc1ccc(cc1)C(=O)NC(CCSC)C(=O)N1CCCCCC1
73944 CCOc1c(C)cnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12
73945 CCCCc1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
73946 COCCNC(=O)C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
73947 Cc1cccc(c1)-c1nc2Oc3c(C)ncc(CO)c3Cc2c(SCC(=O)N2CCOCC2)n1
73948 OCCCNC(=O)C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
73949 CCN(CC)CCNC(=O)C(=O)Nc1cc2CCCN3C(=O)CCc(c1)c23
73950 CN(Cc1c(F)cccc1Cl)C(=O)CCCN(C)S(=O)(=O)c1ccc(cc1)C(C)=O
73951 COc1ccc(cc1)C(=O)C1CCN(CC(=O)Nc2ccc(OC)cc2OC)CC1
73952 COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1ccc(C)cc1
73953 Oc1ccc(cc1)C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|
73954 Cc1ccc(cc1)S(=O)(=O)NCCNS(=O)(=O)c1ccc(C)cc1
73955 CC1=Nc2nc(CCCO)nn2C(C1C(N)=O)c1ccc(Br)cc1 |t:1|
73956 Cn1c2ccccc2n(CC(=O)c2ccc(Cl)c(Cl)c2)c1=N
73957 COc1ccc(cc1[N+]([O-])=O)-c1nn(CCC#N)cc1C(=O)Nc1cccc(c1)C(O)=O
73958 Brc1c[nH]n2c1nnc1ccc(=O)cc21
73959 O=C(CCn1c2ccccc2sc1=O)NC1CCCCC1
73960 COc1ccc(cc1)N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1c(C)noc1C
73961 COc1ccc(CNC(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)c2c(C)noc2C)cc1
73962 COc1ccc(CCNC(=O)CS(=O)Cc2nc(oc2C)-c2ccccc2Cl)cc1OC
73963 CCN(CC)CCNC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N1CCOCC1
73964 COc1ccc(cc1)N1CCN(CC1)C(=O)CS(=O)Cc1nc(oc1C)-c1ccc(OC)c(OC)c1
73965 Cc1ccc(NC(=O)c2cccc(NC3=NC4CS(=O)(=O)CC4S3)c2)cc1C |t:14|
73966 CCOC(=O)C1CCN(CC1)C(=O)Cn1cnc2sc(C)c(c2c1=O)S(=O)(=O)N1CCCCC1
73967 COc1ccc(cc1)-c1cc(no1)C(=O)N1CCN(CC1)c1ccccc1OC
73968 CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)NCCc1ccc(C)cc1
73969 CCOc1ccc(cc1)-n1c(=O)n(CC(=O)NC2CCCCC2)c2ccsc2c1=O
73970 Clc1cccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)c1 |c:19,t:11|
73971 COc1ccc(NC(=O)C2(CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC
73972 COc1ccccc1N1CCN(CC1)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1
73973 COc1ccc(cc1)S(=O)(=O)CCC(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
73974 CCC1=Nc2cc(ccc2Sc2ccc(C)cc12)C(=O)NCCN1CCOCC1 |t:2|
73975 Cc1ccccc1CS(=O)(=O)Cc1ccc(o1)C(=O)NCCc1ccccc1
73976 CCCCN(C)CCNC(=O)CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCC1
73977 O=C(Cn1ccc2cc(ccc12)S(=O)(=O)N1CCCC1)NCCc1ccccc1
73978 CCC(=O)N1CCN(CC1)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1
73979 COc1ccc(cc1)-c1nnc(SCC(=O)NC2CCCCC2)[nH]1
73980 COc1ccc(cc1OC)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCC1
73981 CC(=O)CCC(C)=O
73982 CN(C)N=O
73983 COc1cccc(CN2CC(CCC2=O)C(=O)N(C)Cc2ccc(C)cc2)c1
73984 Cc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)s1
73985 CCN(CCn1cccn1)C(=O)c1cc(COc2cc(C)ccc2C)on1
73986 CC(C)(C)C(=O)Nc1ccnn1C1CCN(CC1)C(=O)c1ccc(Cl)cc1F
73987 COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCCC(CCCO)C1
73988 Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C(=O)CCN1CCCCO1
73989 COc1ccc(OCc2cc(no2)C(=O)N(C)Cc2cc(C)no2)c(Cl)c1
73990 CCc1ccc(CN(C)C(=O)C2CCC(=O)N(CCc3ccc(OC)cc3)C2)nc1
73991 O=C(CCn1cccn1)Nc1ccc2OCOc2c1
73992 CCOc1ccc(cc1)N(C)S(=O)(=O)c1ccc(s1)-c1ccc(=O)[nH]n1
73993 CCC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1ccccn1
73994 CN(Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCCCCCC1)C1CCOC1
73995 Fc1cccc(CN2CC(CCC2=O)C(=O)NC2CCC2)c1
73996 FC(F)(F)c1cccc(CN2CCCC(C2)C(=O)Nc2cccc(c2)-n2cnnn2)c1
73997 COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N(C)CCCC1CCCC1
73998 [O-][n+]1ccc(cc1)C(=O)N1CCCC(C1)N1CCN(CC1)c1cccc(c1)C(F)(F)F
73999 NC(=O)C1CCCN(Cc2c(nc3ccc(Cl)cn23)C(=O)N2CCc3ccccc3C2)C1
74000 COc1ccc(NC(=O)C2CCCN(C2)c2nn3c(nc(C)cc3=O)s2)c(OC)c1
74001 CCN1CCN(CC1)C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
74002 CC(NC(=O)c1cc(COc2cccc3cnccc23)on1)c1cnn(C)c1C
74003 CN(C1CCOCC1)C(=O)CCc1nnc(o1)-c1ccc(cc1)-c1ccccc1
74004 CC(C)Oc1ccc(CNC(=O)CCC(=O)N2CC(C)Sc3ccccc23)cc1
74005 Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(cc12)S(=O)(=O)N1CCCC1
74006 COc1ccc(NC(=O)CCCN2C(=O)C(Oc3cccnc23)c2ccccc2)cc1
74007 CCCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
74008 O=C(COc1ccccc1)NC1CCCCCCC1
74009 [O-][N+](=O)c1ccc(\C=C(\NC(=O)c2ccco2)C(=O)N2CCOCC2)cc1
74010 CC(C)n1cc(CN2CCC(CC2)n2nccc2NC(=O)c2ccccc2C)cn1
74011 CC(C)Cc1ccc(CN2CCCC(C2)NC(=O)c2cccc(c2)-n2cnnc2)cc1
74012 O=S(=O)(N1CCCCC1)c1ccc2[nH]c3CCCCc3c2c1
74013 Clc1ccccc1NC(=O)c1cccc(NC(=O)c2cccs2)c1
74014 COc1ccc(OC)c(c1)N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
74015 CCN(CC)c1ccc(NC(=O)CCc2nnc3ccc(nn23)N2CCCC2)c(C)c1
74016 COc1ccc(cc1OC1CCN(Cc2ccc(SC)cc2)CC1)C(=O)NC1CC1
74017 CN(CC1COCCO1)C(=O)c1cc(COc2c(F)cccc2F)on1
74018 Clc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)CC1
74019 CCn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccccc1C
74020 Cn1ncc(Cl)c1C(=O)NCC1CCCO1
74021 O=C(CCN1C(=S)S\C(=C/c2cccs2)C1=O)N1CCCCC1
74022 O=C(CN1CCCC1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
74023 Cc1onc(c1C(=O)Nc1nnc(s1)C(C)(C)C)-c1ccccc1
74024 Cc1ccc(cc1)C(N(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1)C(=O)NC(C)(C)C
74025 CCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2Br)c1=O
74026 COc1ccccc1N1CCN(CC1)C(=O)c1ccco1
74027 Clc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)N2CCCCC2)cc1Cl
74028 CC(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)c(C)c1)n1cncn1
74029 COc1ccc(N(C(C(=O)NC2CCCCC2)c2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)c(OC)c1
74030 CSc1nsc(SCC(=O)Nc2ccc(cc2)C(N)=O)n1
74031 CC(=O)Nc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccccc1)C(=O)c1ccco1
74032 Brc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)o1
74033 COc1ccc(C(=O)CC=Nc2ccc(cc2)S(=O)(=O)Nc2cc(OC)nc(OC)n2)c(OC)c1 |w:10.10|
74034 Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1
74035 COc1cccc(c1)C(N(C1CC1)C(=O)c1csnn1)C(=O)NC1CCCCC1
74036 OCC1CCCN1C(=O)C(\NC(=O)c1ccccc1)=C\c1ccco1
74037 O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccco1
74038 Fc1ccc(CNC(=O)CN(C(=O)c2csnn2)c2cccc3ccccc23)cc1
74039 COc1ccc(cc1OC)C1C(C(=O)c2ccco2)C(=O)C(=O)N1CC1CCCO1
74040 CCc1ccccc1NC(=O)CSc1nnc(C2CC2)n1CC1CCCO1
74041 Cc1cc(NC(=O)C2CN(C(=O)C2)c2cccc(Cl)c2)no1
74042 Clc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCOCC1
74043 Cc1ccc(cc1C)N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1
74044 CC(C)c1ccc(cc1)N(CC(=O)NC1CCCCC1)C(=O)CNC(=O)c1ccco1
74045 COc1ccc(NC(=O)CSc2nc3sc(C)cc3c(=O)n2C)c(OC)c1
74046 COc1ccc(cc1)C(N(CCC(C)C)C(=O)CCC(=O)Nc1cc(C)on1)C(=O)NC(C)(C)C
74047 COc1ccc(NC(=O)CSc2cnn[nH]2)c(OC)c1
74048 CCCCN=O
74049 CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(F)cc2)C1=O
74050 COc1ccc(Cl)cc1NC(=O)CC(C)=NNC(=O)C(=O)NCc1ccccc1 |w:15.16|
74051 Cc1ccc(cc1)N1CC(CC1=O)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
74052 CC(C)NC(=O)C(N(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)cc1)c1ccc(F)cc1
74053 [O-][N+](=O)c1ccccc1S(=O)(=O)N(CC1CO1)c1ccccc1
74054 Clc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c(Cl)c1
74055 CN1C(=O)C(C)(C)c2cc(ccc12)S(=O)(=O)Nc1cc(C)cc(C)c1
74056 Cc1cccn2c1nc1sc(cc1c2=O)C(=O)NC1CCCCC1
74057 Cc1cc(C)cc(NC(=O)CCCN2C(=O)C(Oc3cccnc23)c2ccccc2)c1
74058 CCCCNC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
74059 CC(C(=O)NCc1ccc(Cl)cc1)n1cccc1C(=O)c1ccccc1
74060 Cc1ccc(CCN2CC(CC2=O)C(=O)NC2CCCCC2)cc1
74061 O=C(NCCCN1CCCCC1)C1CN(CCc2ccccc2)C(=O)C1
74062 Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
74063 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
74064 COc1ccc(OCc2cc(no2)C(=O)N2CCN(CC3CC3)CC2)c(Cl)c1
74065 FC(F)(F)c1cccc(c1)C(=O)N1CCC(CC1)n1nccc1NC(=O)C1CC1
74066 Cc1cccc(C)c1OCc1cc(no1)C(=O)NC1CCC(O)CC1 |(3.08,-5.82,;4.41,-6.59,;4.41,-8.13,;5.75,-8.9,;7.08,-8.13,;7.08,-6.59,;8.41,-5.82,;5.75,-5.82,;5.75,-4.28,;7.08,-3.51,;7.08,-1.97,;8.33,-1.07,;7.85,.4,;6.31,.4,;5.84,-1.07,;8.76,1.64,;10.29,1.48,;8.13,3.05,;9.04,4.29,;8.41,5.7,;9.31,6.95,;10.85,6.79,;11.75,8.03,;11.47,5.38,;10.57,4.13,)|
74067 Cc1cc(C)n(n1)-c1ccc(NC(=O)C2CCCCN2C(=O)c2ccoc2)cc1
74068 FC(F)(F)c1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCC1
74069 COCCC1CCCCN1C(=O)c1cccc(OC2CCN(CC2)S(C)(=O)=O)c1
74070 COc1ccc(cc1OC1CCN(CC1)C(C)=O)C(=O)NC(C)Cn1nc(C)cc1C
74071 Cc1cccn2c(CNCCc3ccccn3)c(nc12)C(=O)N1CCOCC1
74072 Cc1cccc(c1)-c1nnc(SCC(=O)NC2CC2)n1C
74073 CC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(CC1)S(=O)(=O)c1ccccc1
74074 Cc1cc(nn1CC(=O)NC1CCCCC1)[N+]([O-])=O
74075 CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C1)C(=O)c1ccoc1C
74076 CCOC(=O)C1CCCN(C1)C(=O)c1cc(COc2ccc(C)nc2)on1
74077 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccccc1Cl
74078 CC(C)OCCCNC(=O)CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCCC1
74079 O=C(CN1C(=O)CSc2ccc(cc12)S(=O)(=O)N1CCCCC1)NCc1ccccc1
74080 CC1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2=O
74081 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cn(C)cn1
74082 CC(C)c1ccc(cc1)S(=O)(=O)Nc1cc2c(C(O)=O)c(C)oc2c2ccccc12
74083 CC1Sc2ccc(cc2NC1=O)S(=O)(=O)CCC(=O)N1CCN(CC1)c1cccc(Cl)c1
74084 COc1ccc(N(C)C(=O)c2cc3COc4ccccc4-c3s2)c(OC)c1
74085 Clc1ccc(cc1)S(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccccc1
74086 CCn1cc(C(=O)NCCCOC)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCC1
74087 CN(CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)CCc1ccccc1
74088 COc1ccc(cc1)C(=O)Nc1ccnn1C1CCN(CC2CCC=CC2)CC1 |c:26|
74089 C\C=C(/C)CN1CCC(CC1)n1nccc1NC(=O)c1ccc2OCOc2c1
74090 Cc1onc(c1C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
74091 COCc1ccc(s1)C(=O)N1CCCC(C1)Nc1ccc(F)c(F)c1
74092 COc1ccc(CCN2CC(CCC2=O)C(=O)N(C)Cc2ccccc2OC)cc1
74093 COCCc1nc2ccc(cc2o1)C(=O)N1CCCC(CCCO)C1
74094 CN(CCOc1ccc(C)cc1)C(=O)c1cc(COc2ccc(F)cc2F)on1
74095 CC(C)c1ccc(NC2CCCN(C2)C(=O)c2c(C)noc2C)cc1
74096 Cc1ccc(cn1)C(=O)N1CCCC(CCC(=O)N2CCN(CC2)c2ccccn2)C1
74097 CCN1C(=O)NC(=O)\C(=C/c2cn(CC(=O)N3CCCCC3C)c3ccccc23)C1=O
74098 [O-][N+](=O)c1cccc(NC(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)c1
74099 COc1cc(Cl)ccc1OCc1cc(no1)C(=O)NC1CCc2ccccc12
74100 COCCC1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1
74101 COc1ccc(NC2CCCN(C2)C(=O)CCN2Cc3ccccc3C2=O)cc1
74102 Brc1ccc2oc(cc2c1)C(=O)N1CCN(CC1)c1ccccc1
74103 COc1cc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CCC(=O)N2)cc(OC)c1OC
74104 Clc1cccc(NC(=O)CCNC(=O)N2CC(=O)Nc3ccccc23)c1
74105 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCC(=O)NCc1ccccc1OC
74106 COc1cccc(\C=C2/SC(=S)N(C(C)C(=O)NC3CS(=O)(=O)C=C3)C2=O)c1 |c:23|
74107 CC(Oc1ccc2c3CCCCc3c(=O)oc2c1)C(=O)NCCN1CCOCC1
74108 CN1CCN(CC1)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
74109 CCCCCCCCc1ccc(O)cc1
74110 Fc1ccc(cc1)N1CCN(CC1)C1CCCN(C1)C(=O)c1cc(on1)C1CC1
74111 Cc1ccc(OCCNC(=O)CCc2nc3sc4CCCCc4c3c(=O)[nH]2)cc1
74112 COc1ccc(CC(=O)N(Cc2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
74113 COc1cc(C=NNC(=O)C(NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)ccc1OCC(N)=O |w:6.6|
74114 Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1
74115 OCc1ccc(CN2CCCC(C2)C(=O)Nc2ccc(cc2)-c2cscn2)o1
74116 Oc1ccc(C(=O)OCC(=O)c2ccc3OCOc3c2)c(O)c1
74117 CCOc1ccc(cc1)S(=O)(=O)NCCC(=O)NCC1(CCCCC1)N1CCCCC1
74118 CN(CCC1CCOCC1)C(=O)CC1N(Cc2c(F)cccc2Cl)CCNC1=O
74119 Clc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
74120 CC1(C)CC(NC(=O)Cn2cncn2)c2cnn(c2C1)-c1ccc(F)cc1
74121 COc1cc(CN2CCC(CC2)n2nccc2NC(=O)c2ccc3OCOc3c2)ccc1O
74122 CC1CN(CC(C)O1)c1oc(nc1S(=O)(=O)c1ccc(C)cc1)-c1ccccc1F
74123 CN(C1CCCCC1)C(=O)COc1ccc(Cl)cc1Br
74124 CCOc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(Br)c1
74125 CC(C)c1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCCCC4)=NN3C2=N)cc1 |c:24,t:11|
74126 Cc1ccc(\C=C2\C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)o1 |c:22,t:9|
74127 [O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1
74128 CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccncc1
74129 CCOc1ccc(OCCCC(=O)NCCc2ccc(OC)cc2)cc1
74130 COc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC
74131 COc1cc(NC(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)cc(OC)c1OC
74132 COC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2CCCc12
74133 Cc1ccc(cc1)-c1nnc(SCC(=O)NN=Cc2ccc(cc2)C(O)=O)n1C1CCCCC1
74134 CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1ccccc1F
74135 COc1ccc(cc1)-c1cc(=O)oc2cc(OCC(=O)NCCN3CCOCC3)ccc12
74136 [H][C@@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)S(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)cc2)cc1 |TLB:9:8:7:3.2.4|
74137 Cc1csc2nc(SCC(=O)Nc3ccccc3F)[nH]c(=O)c12
74138 COc1ccccc1CC(=O)N(Cc1ccccc1)c1ccc(C)cc1
74139 CCOc1cc(ccc1OC(F)F)C(=O)\N=c1\sccn1C
74140 COCCN(CCOC)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
74141 CC(N(C)CCOc1ccccc1)C(=O)Nc1ccc(F)c(F)c1F
74142 Nc1nnc(SCCCOc2ccc(F)cc2)s1
74143 CC(C)(CNc1ccc(cc1[N+]([O-])=O)S(=O)(=O)C(F)(F)F)N1CCOCC1
74144 O=C(CCc1c[nH]c2ccccc12)N1CCCCCCC1
74145 COc1ccc(CCNC(=O)C2CCC(CC2)C(C)(C)C)cc1OC |(8.41,-8.86,;7.08,-8.09,;7.08,-6.54,;8.41,-5.78,;8.41,-4.24,;7.08,-3.47,;7.08,-1.93,;8.41,-1.16,;8.41,.39,;9.75,1.16,;11.08,.39,;9.75,2.7,;8.41,3.47,;8.41,5,;9.75,5.78,;11.08,5,;11.08,3.47,;9.75,7.32,;9.75,8.86,;11.29,7.32,;8.21,7.32,;5.75,-4.24,;5.75,-5.78,;4.41,-6.54,;3.08,-5.78,)|
74146 Fc1ccc(cc1)N1C2CS(=O)(=O)CC2SC1=NC(=O)C1CC1 |w:17.20|
74147 CCCCc1cc(=O)oc2cc(OCC(=O)NCCN3CCOCC3)ccc12
74148 CC(C)N(Cc1nc(no1)-c1ccccc1)C(=O)c1ccoc1C
74149 O=C(COc1ccc(C=NNC(=O)C(=O)NC2CC2)cc1)N1CCCC1
74150 COC(=O)c1ccc(C=NNC(=O)C2CN(C(=O)C2)c2ccc(F)cc2)cc1
74151 [H][C@]12CN(C[C@]([H])(C1)c1cccc(=O)n1C2)C(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O |TLB:9:8:7:3.2.4|
74152 Cc1cc(OCC(=O)NCc2ccncc2)c2c3CCCc3c(=O)oc2c1
74153 CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O
74154 C=CCN(CC=C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
74155 Clc1ccc(CCNC(=O)CNC(=O)N2CC(=O)Nc3ccccc23)cc1
74156 CCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCCc1ccccn1
74157 CN(c1c(C)cc(C)c(c1C)S(N)(=O)=O)S(=O)(=O)c1ccc(Cl)cc1
74158 COc1ccc(CCN2CCCC(CN(C)C(=O)c3ccoc3)C2)cc1
74159 Fc1cccc(CN2CCNC(=O)C2CC(=O)NCCCN2CCCC2=O)c1
74160 O=CN1CCN(CC1)C(=O)c1ccc2OCOc2c1
74161 CC(C)n1cc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cn1
74162 Cc1cccc(c1)N(Cc1ccccc1)C(=O)c1ccc(cc1)S(C)(=O)=O
74163 COc1ccc(CCNC(=O)c2cc(C)oc2C)cc1
74164 [O-][N+](=O)c1ccc(OCC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)c2ccco2)cc1
74165 CN(C)C1(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CCCCC1
74166 CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccncc1
74167 Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCc1ccccn1
74168 CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)OCC(=O)NC(=O)NC1CCCC1
74169 Cc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)c(C)o1
74170 O=S(=O)(N1CCCCC1)c1cccc(c1)-c1cn2ccccc2n1
74171 COc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)Cc1ccc(F)cc1
74172 CCOC(=O)c1ccccc1NC(=O)COC(=O)CN1C(=O)C2CC=CCC2C1=O |c:25|
74173 COc1ccc(CCNC(=O)c2cccn2C)cc1
74174 NC(=O)CN1C(=O)\C(=N/NC(=O)CNC(=O)\C=C\c2ccccc2)c2ccccc12
74175 CN(C1CCS(=O)(=O)C1)C(=O)CCN1C(=O)S\C(=C/c2ccccc2)C1=O
74176 COc1ccc(\C=C2/SC(=S)N(CC(=O)N(C)C3CCS(=O)(=O)C3)C2=O)cc1
74177 Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCN4CCOCC4)c(C)c3cc2c1C
74178 Cc1cc(OCC(=O)NC2CC2)c2c(C)cc(=O)oc2c1
74179 Cn1c(SCC(=O)Nc2ccc(cc2)C(N)=O)nnc1-c1cccs1
74180 Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccc(F)cc1
74181 COC(=O)c1cccc(NC(=O)CC2N(CCNC2=O)C(=O)Nc2ccccc2)c1
74182 Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1
74183 CC1CCN(CC1)C(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[nH]1
74184 CN1CCN(CC1)C(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
74185 COc1ccc(CCN=C(N)NS(=O)(=O)c2ccc(F)cc2)cc1OC |w:8.7|
74186 Fc1ccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)cc1
74187 Nn1c(SCC(=O)Nc2ccc3OCCOc3c2)nncc1=O
74188 COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
74189 COc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCc1ccccc1OC
74190 CN(C(=O)c1ccc2OCOc2c1)C1(C)CCS(=O)(=O)C1
74191 CC(C)c1nc(SCC(=O)N2CCCCCC2)c2c(n1)n(C)c(=O)n(C)c2=O
74192 CC(C)(Cc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
74193 COc1ccc(cc1OC)C(Sc1ccccc1)c1ccccc1
74194 [O-][n+]1c2ccccc2cc2ccccc12
74195 CC1C(=O)N2CCCc3cc(NC(=O)C(=O)NCCc4ccccc4)cc1c23
74196 CNC(=O)c1c(NC(=O)c2ccco2)sc2CCCc12
74197 Cc1cccc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)c1
74198 COc1cc(OC)cc(c1)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
74199 Fc1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NCC2CCCO2)o1
74200 Brc1cccc(c1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
74201 COc1ccc(NC(=O)CSc2nn3c(nnc(C)c3=O)s2)cc1
74202 Cc1ccc(cc1)-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1ccc(F)c(F)c1
74203 COc1ccc(C)c2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12
74204 O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1
74205 CCN(CC)CCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2ccc(OC)cc2s1
74206 C\C=C\c1ccc2OCOc2c1
74207 [O-][N+](=O)c1ccc(F)cc1F
74208 OC(=O)c1ccc(O)cc1O
74209 CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1SCC(=O)N1CCCC1
74210 CC(=O)c1sc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)nc1-c1ccccc1
74211 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(s2)S(=O)(=O)N2CCOCC2)cc1
74212 CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
74213 CCCCN(C(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1)c1c(N)n(CCCC)c(=O)[nH]c1=O
74214 CCCCCCn1nc(C(=O)N(CCOC)c2c(N)n(CCCC)c(=O)[nH]c2=O)c2ccccc2c1=O
74215 CC1Cc2ccccc2N1C(=O)CSc1ncccn1
74216 COc1ccc2oc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c(C)c2c1
74217 CC1CCCCC11NC(=O)N(CC(=O)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCC2)C1=O
74218 CCOC(=O)C1CCCN(C1)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC
74219 COc1ccc(cc1)C(CNC(=O)c1oc2c(Cl)cccc2c1C)N1CCCC1
74220 CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCNC(=O)c1ccccc1OC
74221 COc1cc(\C=C\C(=O)OC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
74222 COc1ccc(NC(=O)CN(C)C(=O)c2ccccc2SCC(=O)N2CCCC2)cc1
74223 Cc1ccc(c(C)c1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)cc1
74224 CC[C@H]1c2[nH]c3ccccc3c2Cc2c(O)n(-c3ccc(F)cc3)c(=O)n12
74225 CN(C)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1C)c1ccco1
74226 Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)NC2(CCCCC2)C#N)c1Cl
74227 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCC(=O)OCc1nc(N)nc(Nc2ccccc2C)n1
74228 COc1cccc(CNC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)c1
74229 COc1cccc(COC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)c1OC
74230 COc1ccc2nc(NC(=O)CSC(C)C(=O)Nc3cc(C)on3)sc2c1
74231 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CCCc1nc2ccccc2c(=O)[nH]1
74232 CCN(CC)c1ccc(cc1NC(=O)C1CCC1)S(=O)(=O)N1CCCCC1
74233 CC(C)Oc1ccc(cc1NC(=O)CC1OC(=O)c2ccccc12)S(=O)(=O)N1CCOCC1
74234 Cc1ccc(cc1)S(=O)(=O)CCC(=O)OCC(=O)NC1CCS(=O)(=O)C1
74235 C=CC(=O)NCNC(=O)C=C
74236 C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1cn2cc(Cl)ccc2n1
74237 [H]C12CCCC([H])(CC(C1)C(=O)OCC(=O)NNC(=O)c1ccccc1F)C2=O
74238 Brc1ccc(cc1)C(=O)NCCC(=O)NCc1cccnc1
74239 CCOc1ccc(CCNC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)cc1OCC
74240 CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)cc1
74241 O=C(COC(=O)COc1ccccc1)NCc1ccco1
74242 COc1cccc(CNC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)c2ccc(F)cc2)c1
74243 CCCCN(C(=O)C(C)N1C(=O)c2ccccc2C1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
74244 Nc1c(Br)cc(cc1[N+]([O-])=O)[N+]([O-])=O
74245 Cc1cccc(c1C(O)=O)[N+]([O-])=O
74246 Nc1cc(Cl)cc(C(O)=O)c1Cl
74247 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
74248 Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1
74249 [O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O
74250 CCCCOC(=O)COc1ccc(Cl)cc1Cl
74251 [O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl
74252 CCc1ccc(cc1)C(C(Cl)Cl)c1ccc(CC)cc1
74253 COC(=O)CC#N
74254 CCOC(=O)C(C)C(C)=O
74255 Cc1c(N)cccc1N
74256 C1CCC(CC1)NC1CCCCC1
74257 [H][C@]12COc3ccc(Cl)cc3[C@]1([H])N1C(=O)c3cc(Br)ccc3NC(=O)[C@@]1(C)[C@H]2C(=O)OCC
74258 CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O
74259 Brc1ccc(cc1)-c1ccccc1
74260 [#6][N+]1([#6])[#6]-[#6]\[#6](-[#6]-[#6]1)=[#6](\c1ccccc1)-c1ccccc1
74261 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)OCC(=O)N1C(C)CCCC1C |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
74262 COc1ccc(CC(=O)Nc2ccc(F)c(F)c2F)cc1S(=O)(=O)N1CCOCC1
74263 CC1CCN(CC1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
74264 Cc1ccc(C)c(c1)C(=O)COC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1
74265 Clc1ccc(cc1NC(=O)Cc1cccs1)S(=O)(=O)N1CCCCC1
74266 CC(N(C)CC(=O)Nc1cccc(F)c1)C(=O)N1CCCCC1
74267 O=C(NCC1COc2ccccc2O1)c1cccc(c1)S(=O)(=O)N1CCOCC1
74268 Fc1ccc(C=CC(=O)OCC(=O)c2ccc[nH]2)cc1 |w:5.4|
74269 CN(C)C(CNC(=O)c1ccc(cc1)N(C)S(=O)(=O)c1ccc(C)cc1)c1ccco1
74270 O=S(=O)(N1CCCCCC1)c1ccc(=S)[nH]c1
74271 null
74272 O=C(CCc1nc(no1)-c1ccccc1)NCc1ccccc1CN1CCOCC1
74273 O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N1CCNC1=O
74274 CC(N1CCN(CC1)C(=O)c1ccco1)C(=O)Nc1ccccc1
74275 CCC1CCCCN1C(=O)COc1ccc2c3CCCc3c(=O)oc2c1
74276 O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCCc1ccccc1
74277 Cn1nc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)c2ccccc2c1=O
74278 Clc1cc(C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2n1
74279 CCN1C(=O)N(CC(=O)Nc2cc(C)ccc2C)C(=O)C1=O
74280 CC(Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl
74281 Clc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)N1CCCCC1
74282 CN(C)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)Nc1cccc(C)c1)c1ccccc1
74283 CCOc1ccc(OCCCC(=O)N(CC)CC(=O)Nc2c(F)cccc2F)cc1
74284 Fc1ccc(cc1)C(=O)NNC(=O)CCC1CCCC1
74285 COc1cccc(NC(=O)CN(C)C(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)c1
74286 CCCCN(C(=O)CC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
74287 CC12CCC(=O)N1C(CS2)C(=O)NNC(=O)c1ccc(Cl)cc1
74288 O=C(Nc1ccccn1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
74289 COc1ccc(CCN2CC(CC2=O)C(=O)Nc2nnc(Cc3ccccc3)s2)cc1OC
74290 CN(CC(=O)Nc1c(C)cccc1C)C(=O)c1ccc2c(c1)nc1CCCn1c2=O
74291 FC(F)(F)c1cccc(CNC(=O)CCC(=O)N2CCOCC2)c1
74292 Cc1cccc(Oc2ccccc2NC(=O)C2=COCCO2)c1 |t:17|
74293 COc1ccccc1C(=O)NCCC(=O)NCC1COc2ccccc2O1
74294 COc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1
74295 CCCCN(C(=O)CCCc1nc2ccccc2s1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
74296 CCOc1ccc(NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OCC |c:21|
74297 Cc1ccc(C)c(OCCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
74298 CCOc1ccc(NC(=O)CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1OCC
74299 Cc1ccc(NC(=O)CC2OC(=O)c3ccccc23)cc1S(=O)(=O)N1CCCCCC1
74300 COc1ccc(NC(=O)CN(C)C(=O)C(Sc2ccccc2)c2ccccc2)cc1
74301 Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2CCCO2)cc1
74302 Fc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC2(CCCCC2)N2CCCCC2)cc1
74303 CC(=O)N1CCN(CC1)C(=O)c1c(C)onc1-c1ccccc1
74304 Brc1ccc(cc1)C(=O)NCCC(=O)NCCCN1CCOCC1
74305 CNC(=O)c1ccc(NC(=O)Cc2sc(nc2O)N2CCCC2)cc1
74306 Clc1ccccc1-c1nnc(CN(C2CC2)C(=O)CC2OC(=O)c3ccccc23)o1
74307 Cc1oc(NC(=O)CSc2nnc(-c3ccco3)n2C)c2c1c(C)n[nH]c2=O
74308 OC1CCC(CC1)NC(=O)c1ccc(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)cc1 |(4.41,-8.23,;4.41,-6.69,;5.75,-5.92,;5.75,-4.38,;4.41,-3.61,;3.08,-4.38,;3.08,-5.92,;4.41,-2.07,;5.75,-1.3,;7.08,-2.07,;5.75,.24,;4.41,1.01,;4.41,2.55,;5.75,3.32,;5.75,4.86,;7.08,5.63,;6.31,6.96,;7.85,4.3,;8.41,6.4,;8.41,7.94,;9.75,8.71,;11.08,7.94,;11.08,6.4,;9.75,5.63,;12.42,5.63,;13.75,6.4,;12.42,4.09,;7.08,2.55,;7.08,1.01,)|
74309 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)N(C)CC(=O)Nc1cccc(OC)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:3:9:1.11.8|
74310 CCN(C(=O)COC(=O)c1cc(Cl)ccc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
74311 CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1cc2CCCCCc2s1
74312 Cc1cc(SCC(=O)N2CCN(CC2)C(=O)c2ccco2)c(C)cc1Br
74313 CNc1nc(cs1)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
74314 COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
74315 CC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
74316 CC(OC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1)C(=O)NC1CCCC1
74317 Cc1cc(C)cc(NC(=O)COC(=O)c2ccc3OCCOc3c2)c1
74318 CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
74319 CC1CCCCC1NC(=O)Cn1cc(ccc1=O)[N+]([O-])=O
74320 CN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N1CCCCC1)c1ccco1
74321 CN(CC(=O)Nc1ccc(Cl)cc1)C1=NS(=O)(=O)c2ccccc12 |t:14|
74322 CC(=O)c1cccc(OC(=O)C2=C3NS(=O)(=O)C=CN3C=CC2)c1 |c:11,17,21|
74323 CCN(CC)C(=O)c1cccc(NC(=O)C2=COCCO2)c1 |t:15|
74324 COc1cc(NC(=O)COc2cccc3CC(C)(C)Oc23)cc(OC)c1OC
74325 CC(=O)Nc1cccc(NC(=O)CSc2nnc([nH]2)-c2ccccc2)c1
74326 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc2nc(sc2c1)N1CCOCC1
74327 Cc1ccc(C(=O)OCC(=O)Nc2cc(no2)C(C)(C)C)c(C)c1
74328 CCS(=O)(=O)c1ccc2oc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)nc2c1
74329 Cc1ccc(Nc2nnc(SCC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)s2)cc1C
74330 NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1
74331 COc1cccc(C=CC(=O)OCC(=O)c2ccc(C)c(C)c2)c1OC |w:7.6|
74332 COc1ccc(NC(=O)COC(=O)CCC(=O)c2cccs2)cc1OC
74333 COc1ccc(NC(C)=O)cc1S(=O)(=O)NCCc1ccccn1
74334 CN(C1CCS(=O)(=O)C1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccc(C)c(C)c1
74335 CC(Sc1ncccn1)C(=O)NC1(CCCCC1)C#N
74336 CCOC(=O)C1CCN(CC1)C(=O)c1ccc(N2CCOCC2)c(c1)[N+]([O-])=O
74337 Fc1ccccc1-n1c(SCC(=O)NC2CCS(=O)(=O)C2)nc2ccccc2c1=O |(8.18,-1.31,;8.18,-2.85,;6.85,-3.62,;6.85,-5.16,;8.18,-5.93,;9.52,-5.16,;9.52,-3.62,;10.85,-2.85,;10.85,-1.31,;9.52,-.54,;9.52,1,;8.18,1.77,;6.85,1,;8.18,3.31,;6.85,4.08,;6.69,5.61,;5.18,5.93,;4.41,4.6,;3.08,5.37,;3.27,3.57,;5.44,3.45,;12.19,-.54,;13.52,-1.31,;14.9,-.49,;16.29,-1.28,;16.29,-2.88,;14.9,-3.67,;13.52,-2.85,;12.19,-3.62,;12.19,-5.16,)|
74338 Clc1cccc(\C=C\C(=O)OCC(=O)NC2CC2)c1
74339 CC(C)N(CCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccccc2c1=O)C(C)C
74340 O=C(Cn1c2ccccc2ncc1=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
74341 COc1ccc(OCC(=O)NCCCNC(=O)COc2ccc(OC)cc2)cc1
74342 CS(=O)(=O)c1ccc(cc1)C(=O)CN1C(=O)NC2(CCCc3ccccc23)C1=O
74343 FC(F)(F)c1ccc(CCNC(=O)c2ccc3OCOc3c2)cc1
74344 Cc1nn(c(Cl)c1C(=O)NCC1CCCO1)-c1ccccc1
74345 Cc1ccc(NC(=O)CCCOc2ccccc2)cc1S(=O)(=O)N1CCOCC1
74346 CC(C)Cn1c(N)c(C(=O)COC(=O)C2CCCN2C(=O)c2cccs2)c(=O)n(C)c1=O
74347 COc1ccccc1NC(=O)C(C)OC(=O)C1COc2ccccc2O1
74348 Cc1nnc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)s1
74349 Nc1nc(SCc2c(Cl)cccc2Cl)c(C#N)c(=S)[nH]1
74350 COC(=O)c1ccccc1-c1c2ccc(N)cc2oc2cc(=[NH2+])ccc12 |(12.56,9.29,;13.55,8.11,;13.02,6.67,;14.01,5.49,;11.5,6.4,;11.5,7.94,;10.17,8.71,;8.84,7.94,;8.84,6.4,;10.17,5.63,;10.17,4.09,;8.84,3.32,;7.46,4.14,;6.06,3.35,;6.06,1.75,;4.73,.97,;7.46,.95,;8.84,1.78,;10.17,1.01,;11.5,1.78,;12.88,.95,;14.28,1.75,;15.61,.97,;14.28,3.35,;12.88,4.14,;11.5,3.32,)|
74351 CC1(O)CCN2C(=O)CCc3cccc1c23
74352 CCOc1ccc(cc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O)S(=O)(=O)N1CCOCC1
74353 CC(Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1
74354 CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cc1
74355 Cc1ccc(cc1)S(=O)(=O)NCC(=O)OCC(=O)Nc1ccc2OCCOc2c1
74356 O=C(COc1ccccc1)NCC(=O)N1CCCCCC1
74357 Cc1ccc(cc1)-n1nnnc1SCC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O
74358 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCCC1
74359 Fc1ccccc1SCC(=O)Nc1ccc(cc1)N1CCOCC1
74360 COc1ccc(cc1NC(=O)CCc1c(C)noc1C)C(C)(C)C
74361 CC(N1C(=O)C2CC=CCC2C1=O)C(=O)Nc1nnc(s1)C1CC1 |c:7|
74362 COc1ccc(cc1)N1CCN(CC1)C(=O)CSc1nc2nc(C)cc(C)n2n1
74363 Fc1ccc(cc1F)S(=O)(=O)Nc1ccc2OCOc2c1
74364 CC(NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1)c1ccccc1
74365 COc1cccc(CNC(=O)c2ccc(NC(=O)Cc3sc(nc3O)N3CCCC3)cc2)c1
74366 Cc1occc1-c1nnc(SCC(=O)NC2CCCCC2)o1
74367 CCOc1ccc(cc1)C(=O)COC(=O)c1nn(CC)c(=O)c2ccccc12
74368 CC(Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1cccc(c1)S(=O)(=O)N(C)C
74369 Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(8.52,4.41,;8.52,2.87,;9.85,2.1,;9.85,.56,;8.52,-.21,;7.18,.56,;7.18,2.1,;5.67,.83,;5.14,2.27,;4.68,-.35,;8.52,-1.75,;9.85,-2.52,;11.23,-1.7,;12.62,-2.49,;12.62,-4.09,;13.95,-4.87,;11.23,-4.89,;9.85,-4.06,;8.52,-4.83,;7.18,-4.06,;5.81,-4.89,;4.41,-4.09,;3.08,-4.87,;4.41,-2.49,;5.81,-1.7,;7.18,-2.52,)|
74370 Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1cccs1
74371 CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc2OCOc2c1
74372 COc1ccccc1C(=O)NCC(=O)OC(C)C(=O)N(C)C1CCCCC1
74373 Fc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(F)c1
74374 CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(c1)C(=O)NCc1ccncc1
74375 Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)n1ccnc1
74376 Cc1noc(C)c1COC(=O)c1cc(ccc1F)S(=O)(=O)N1CCOCC1
74377 COc1cc(OC)cc(c1)C(=O)NC(C(C)C)C(=O)Nc1ccc2OCOc2c1
74378 NS(=O)(=O)c1ccc(CCNC(=O)CNC(=O)c2ccc(Br)o2)cc1
74379 OCc1cc(Br)ccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
74380 CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)Cc1coc2cc(C)c(C)cc12
74381 CC(C)CN(C(=O)c1ccc(cc1)N1CCCC1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
74382 CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
74383 CN(C)C(CNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1
74384 CCCCn1nc(C(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2c1=O
74385 Clc1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccccc2Cl)c1
74386 COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N1CC(C)OC(C)C1
74387 CC(NC(=O)COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1ccc(F)cc1
74388 O=S(=O)(NN=C1CCCc2ccccc12)c1ccccc1 |w:4.3|
74389 CC(OC(=O)COc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(C)cc1
74390 CN(C(=O)c1ccccc1C(=O)OCC(=O)c1ccccc1)c1ccccc1
74391 C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
74392 O=C(CSc1ccccc1)NCC(N1CCCCC1)c1ccco1
74393 CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2C)c1C
74394 CCN(C(=O)C(C)Sc1ccc(cn1)S(=O)(=O)N1CCOCC1)c1ccccc1
74395 Cc1ccc(cc1)C1(C)NC(=O)N(CC(=O)NNC(=O)c2ccccc2F)C1=O
74396 Cc1ccccc1NC(=O)Cc1nc(COC(=O)CCC(=O)c2ccccc2)cs1
74397 Cc1cccnc1NC(=O)CCC(=O)c1cccs1
74398 CCOc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
74399 [H][C@]12COc3ccc(C)cc3[C@]1([H])N1C(=O)c3cc(C)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
74400 CN(CC(=O)Nc1ccc(C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
74401 CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1c(C)nc2ccccc2c1C
74402 Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1)[N+]([O-])=O
74403 Cn1c(CC(=O)NNC(=O)c2cccnc2)nc2ccccc12
74404 Clc1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1
74405 Cc1sc2nc(CSCC(=O)Nc3c(C)cc(C)cc3Cl)[nH]c(=O)c2c1C
74406 CCc1noc(C)c1C(=O)NNC(=O)c1ccccc1
74407 Fc1ccccc1C(=O)NCC(=O)NCCN1C(=O)S\C(=C/c2ccc3OCOc3c2)C1=O
74408 CN(CC(=O)Nc1ccc(C)cc1)C(=O)CCSc1ccc(F)cc1
74409 Brc1cccc(\C=C\C(=O)NNC(=O)c2ccncc2)c1
74410 Fc1ccc(cc1)[C@H]1CC(=O)C=C(C1)c1ccc2ccccc2c1 |c:12|
74411 Cc1ccc(N)c(C)c1
74412 CCOc1ccccc1N
74413 CC(=O)Nc1cccc(N)c1
74414 CC(=O)C[C@@H](O)CC(=O)[C@@H]1OC(=O)CCCCCCCCc2ccccc12
74415 OC(=O)c1c(Cl)cccc1Cl
74416 [#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#6]-[#8]-[#6](=O)-[#6](\C#N)=[#6](\c1ccccc1)-c1ccccc1
74417 CCCCCCCCOc1ccc(cc1)C(O)=O
74418 C(Nc1ccc(cc1)N1CCOCC1)c1ccccc1
74419 O=CNc1ccccc1
74420 CC(C)CC(C)N
74421 Fc1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCCC2)c1
74422 O=c1c2ccccc2oc2ccc(cc12)C#Cc1ccc(cc1)C#N
74423 COc1ccc(C=CC(=O)ON=C(N)c2ccccn2)cc1OC |w:11.10,6.5|
74424 CCN(C(=O)CN1CCCC(C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
74425 COc1ccccc1CNC(=O)COC(=O)\C=C\c1ccc2ccccc2n1
74426 Oc1nc(sc1CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N1CCOCC1
74427 C[C@H](COC(=O)[C@@H](CC=C)Cc1ccc(F)cc1)NC(=O)[C@H](CC=C)CC(=O)NCCO
74428 OCCNC(=O)C[C@@H]1C\C=C/CC[C@H](Cc2ccc(F)cc2)C(=O)OC[C@@H](Cc2ccccc2)NC1=O |c:9|
74429 OC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1C\C=C\CCCC(=O)O[C@@H](CNC1=O)c1ccccc1 |t:17|
74430 CNC[C@H]1Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2CC(=O)N(C[C@H]1C)[C@@H](C)CO
74431 C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O
74432 COc1ccc(cc1)S(=O)(=O)N(C)C[C@H]1Oc2c(NC(=O)Nc3ccc4OCOc4c3)cccc2C(=O)N(C[C@@H]1C)[C@H](C)CO
74433 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O
74434 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccccc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
74435 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2c(=O)n1C
74436 COc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)N1CCCCC1
74437 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1cncc(Br)c1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
74438 CC(OC(=O)c1ccc(cc1)S(=O)(=O)NCc1ccco1)C(=O)Nc1ccccc1
74439 OC(=O)c1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F
74440 Cc1nc(SCC(=O)N2CCNC2=O)c2ccccc2n1
74441 COc1cc(cc(OC)c1OC)C(=O)NNC(=O)CCOc1ccccc1
74442 O=C(COC(=O)CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1
74443 CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNc1cccc(c1)C(O)=O
74444 CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
74445 Clc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc23)cc1
74446 O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCc1cccs1
74447 CCCCCOc1ccc(CN2CCOCC2)cc1Cl
74448 CC(C)Cc1nc(c(o1)N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
74449 Brc1ccc2Oc3ncnc(N4CCCCC4)c3N=Cc2c1 |c:20|
74450 OCc1c(F)c(F)c(NCCNC2=CC(=O)CCC2)c(F)c1F |t:12|
74451 CSCC[C@H](NC(=O)Nc1cccc(c1)C(F)(F)F)C(O)=O
74452 CSc1nsc(SCC(=O)Nc2cccc(c2)C(C)=O)n1
74453 COc1ccc2c(cc(nc2c1)N1CCOCC1)-c1ccccc1
74454 COc1ccc(cc1C(=O)OCc1c(C)noc1C)S(=O)(=O)N1CCCCCC1
74455 CCC1CCCCN1CCCNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
74456 Cc1cc(cs1)C(=O)NCCCN1CCCC1=O
74457 O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1
74458 COc1ccc(OC(C)C(=O)N2CC(C)OC(C)C2)cc1
74459 COC(=O)C(C1CCCCCC1)C(=O)NCC1CCCO1
74460 CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1
74461 O=C(N1C(CCC1=O)c1ccccc1)c1cccnc1
74462 Cc1ccc(cc1)S(=O)(=O)c1nc(oc1NCCN1CCOCC1)-c1ccccc1
74463 Cn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1-c1cc2ccccc2o1
74464 ClC1=CCC2C(C1)C(=O)N(CCC(=O)NCc1ccco1)C2=O |t:1|
74465 CCNS(=O)(=O)c1cc(ccc1Cl)S(C)(=O)=O
74466 CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
74467 CCCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O
74468 CCCCOc1ccc(CN2CCCCC2)cc1
74469 Brc1ccc(o1)C1Nc2cccc3cccc(N1)c23
74470 COc1ccc(cc1OC)C(CCC#N)(CCC#N)C#N
74471 CN(C)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1
74472 Cc1cccnc1-n1c(C)nc2ccccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
74473 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|
74474 Cc1ccc(OCC(=O)NN=Cc2ccco2)c(C)c1
74475 COc1ccc(cc1)C1SCC(=O)N1CCCN(C)C
74476 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O |w:11.11|
74477 CC(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)C(O)=O
74478 COc1ccc(OCC(=O)NN=Cc2ccc(OC)c(OC)c2C(O)=O)cc1
74479 CCOC(=O)C(O)(c1ccc(NC(NC(=O)CCl)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F
74480 Brc1cccc(c1)C(=O)NNC(=O)C(=O)N1CCCCC1
74481 Cc1cc2ncc(Cl)nc2cc1C
74482 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
74483 CCOC(=O)NC(=O)C(C=Nc1ccc(C)cc1)C(=O)NC(=O)OCC |w:10.10|
74484 CCOC1(C)OCC(=O)[C@]2(CCC3C4CCC5=CC(=O)C=CC5(C)C4C(=O)CC23C)O1 |c:20,t:16|
74485 Cc1ccc(cc1)N1CCN(CCCCN2C(=O)C3CCCN3C2=O)CC1
74486 O=[#6](-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](\C#N)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1
74487 CCC(C)NCCOCCOc1ccc(Cl)c(C)c1C
74488 CCN(CCO)Cc1csc2ccc(cc12)C(C)(C)C
74489 Cc1ccc(\C=C\C(=O)NC(=S)N(CC=C)CC=C)cc1
74490 Cc1ccccc1Cn1cc(NC(=O)c2nn(C)cc2Cl)cn1
74491 Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(F)c(c1)[N+]([O-])=O
74492 Clc1ccc(CNC(=S)NC2CCCCC2)c(Cl)c1
74493 FC(F)(F)CNC(=O)CNC(=O)c1ccc(Cl)cc1
74494 Cc1ccc(NC(=O)COC(=O)c2cc(nn2-c2ccccc2)-c2cccs2)cc1[N+]([O-])=O
74495 COC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F |w:5.4|
74496 [H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1scc(c1C(=O)OCCC)-c1ccc(C)cc1C |TLB:12:7:6:3.2,THB:9:8:6:3.2|
74497 COC(=O)C1=NN(C(=O)c2cccc(Cl)c2)C(O)(C1)C(C)(C)C |t:4|
74498 CCOc1ccccc1-c1cc(C(=O)NN=Cc2ccc(O)c(OC)c2)c2ccccc2n1 |w:15.15|
74499 Cc1occc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
74500 NC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
74501 CCSc1nnc(NC(=O)C2CCCCC2C(O)=O)s1
74502 CC1=NN(C(=O)c2ccc(Cn3ccc(n3)[N+]([O-])=O)cc2)C(O)(C1)C(F)(F)F |t:1|
74503 CCn1cc(Br)c(n1)C(=O)NC(=S)Nc1ccc(cc1)C(=O)OC
74504 COc1ccc(cc1)N1CCN(CCOc2ccc3c(C)cc(=O)oc3c2)CC1
74505 Oc1c2CCCCc2n(-c2ccccc2)c(=O)c1-c1ccccc1
74506 COc1ccc2c(OC)cc(=O)n(C)c2c1
74507 Cc1ccc(s1)-c1cc(C(=O)Nc2cc(C)cc(C)n2)c2ccccc2n1
74508 CC(C)C(=O)Nc1cccc(c1)C(C)=NNC(=O)c1c(C)onc1-c1ccccc1Cl |w:14.15|
74509 CCc1nc2cc(c(cc2[nH]1)[N+]([O-])=O)[N+]([O-])=O
74510 Cc1nn(C)cc1C=NNC(=O)COc1cc(C)cc(C)c1
74511 C(N1CCCCC1)c1csc2ccccc12
74512 [H]C12C=CC([H])(C3C1C(=O)N(N=Cc1cccc(c1)[N+]([O-])=O)C3=O)C21CC1 |c:2,TLB:8:7:24:2.3,THB:22:6:24:2.3|
74513 Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3ccccc3)c2c1
74514 CCn1cc(CNC(=O)c2cc(c(C)c(c2)[N+]([O-])=O)[N+]([O-])=O)cn1
74515 Brc1ccc(cc1)C1=N\C(=C/c2ccco2)C(=O)O1 |t:8|
74516 Oc1ccc(cc1)C(=O)NN=Cc1ccc(OCC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
74517 Cc1cccc(c1)-n1cc(CN2CCN(CC2)C(=O)c2nnc[nH]2)c(n1)-c1cccc(F)c1
74518 [O-][N+](=O)c1cc(Br)c[c-](\C=[NH+]\n2cnnc2)c1=O
74519 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)Cc1cccs1
74520 O=C(NCc1ccco1)c1ccc2ccccc2n1
74521 COC(=O)C1CCN(Cc2ccc(OCCCN3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)cc2)CC1
74522 Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1
74523 Cc1ccc(C)n1-c1ccc(cc1)-c1cc[nH]n1
74524 Clc1ccc(NC(=O)c2ccc(OC3CSC3)cc2)cc1
74525 OC(=O)c1ccc(cc1)-n1c(O)cc(SC(=N)NN=Cc2ccc3OCOc3c2)c1O |w:18.18|
74526 Cc1ccc(C)c(CN2C(=O)COc3ccc(cc23)C(=O)c2ccccc2C(O)=O)c1
74527 CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1
74528 Cc1[nH]c2ccccc2c1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O |w:11.13|
74529 CC1Cc2ccccc2N1CC(=O)Nc1cccc(c1)S(N)(=O)=O
74530 COc1ccc(Cc2nnc(NC(=O)c3ccccc3F)s2)cc1OC
74531 COc1ccc(cc1)N(CC(=O)NC(C)C)C(=O)CCC(=O)Nc1ccccn1
74532 COc1ccc(cc1OC)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(C)cc1 |c:13|
74533 CCCC(=O)Nc1ccc(Cl)c(c1)-c1nc2ncccc2o1
74534 CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCN1CCOCC1
74535 CC(C)CCNC(=O)c1ccc2c(Cl)c3CCCc3nc2c1
74536 Cc1ccc(cc1F)-n1c(=O)n(CC(=O)NCC2CCCO2)c2ccsc2c1=O
74537 CCOC(=O)CC1(CCCCC1)NC(=O)c1cc(COc2cncc(Cl)c2)on1
74538 Cc1ccc(cc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)[N+]([O-])=O)C(O)=O
74539 COc1ccccc1N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1Cl
74540 CS(=O)(=O)N1CCc2ccc(NC(=O)C3CCCO3)cc2C1
74541 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3nn(ccc3=O)-c3ccccc3)cc2)c1C
74542 Fc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)C(=O)c1ccco1
74543 CCOC(=O)CNC(=O)C1CCCN(C1)c1ncccn1
74544 Cc1ccc2cc(C#N)c(nc2c1C)N1CCCC1
74545 CCN1C(=O)C2(C(C#N)C(=N)Oc3n[nH]c(C(C)C)c23)c2ccccc12
74546 Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12
74547 CC(C)CCNC(=O)C(N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
74548 CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N)c1ccco1
74549 Fc1cccc(NC(=O)c2ccc(cc2)S(=O)(=O)NCC2CCCO2)c1
74550 Cc1nc2ccccc2n1CC(=O)N1CC(=O)Nc2ccccc12
74551 Cc1ccc2cc(C#N)c(NCCNC(=O)C3CC3)nc2c1C
74552 Cc1ccc2nc(N3CCN(CC3)C(=O)c3cccs3)c(cc2c1)C#N
74553 Cc1ccc(C)c2nc(N3CCCC3)c(cc12)C#N
74554 [H]C12CCCC([H])(CC(C1)NC(=O)c1ccco1)N2CC(=O)Nc1ccccc1C(F)(F)F
74555 CN(C)CCNc1cc(C)nc2cc(nn12)-c1cccs1
74556 Fc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)o1
74557 Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)NC1CCCCC1
74558 COC(=O)c1c(C)nc2CCCC(O)c2c1-c1cccc(C)n1
74559 O=C(Nc1cnc2ccccc2c1)c1cccc(c1)-n1cnnn1
74560 COCCNC(=O)C(C)OC(=O)c1cc2occc2n1C
74561 Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C
74562 CCC1(NC(C2C1C(=O)N(C)C2=O)c1cccc(F)c1)C(=O)OC
74563 N#Cc1cc2cc3OCOc3cc2nc1N1CCOCC1
74564 Nc1nc(CSc2nc3ccccc3s2)nc(n1)N1CCCCC1
74565 O=C(Nc1cccc(OC(=O)N2CCCCC2)c1)N1CCCCC1
74566 COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
74567 Cc1ccc2cc(C#N)c(nc2c1)N1CCCN(CC1)C(=O)C1CCCO1
74568 CNC(=O)c1cc2c(ccc3ccccc23)oc1=N
74569 CN1Cc2c(CC1(C)C)c(C#N)c(SCc1ccccc1)nc2N1CCOCC1
74570 COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN(C)CCC2=C(C#N)C(=N)C1(C#N)C#N |t:21|
74571 Nc1c(C#N)c2nc3ccccc3nc2n1CCSc1ccccc1
74572 CCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OCC |c:8|
74573 CCCOC(=O)CSC1=C(C#N)C(C(C#N)C(=O)N1)c1ccccc1OC |c:8|
74574 O=C(C1CCCCC1)N1CC2N(CCc3ccccc23)C(=O)C1
74575 null
74576 CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(=N)C(C#N)C1c1cccc(OC)c1OC |c:5|
74577 CCN1CCC2(CC1)C(C#N)C(=N)Oc1c2sc2nc(C)cc(C)c12
74578 COCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
74579 COc1ccc(cc1)-n1cnc2cc(NCc3cccs3)ccc12
74580 CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
74581 COCCOC(=O)C(C#N)c1nc2ccccc2nc1N(CC=C)CC=C
74582 Cc1cc2OC(=N)C(C#N)C(Cc3ccccc3)c2c(=O)n1Cc1cccnc1
74583 COc1ccccc1C1CC(Nc2nc(N)nn12)c1ccc(Cl)cc1
74584 CCCc1cc(=O)oc2c(CN3CCCC3)c(O)c(Cl)cc12
74585 C(Oc1ccccc1)c1nnc2sc(nn12)-c1ccco1
74586 COCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc12
74587 Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CC1CCCO1
74588 CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
74589 COCCCn1c2nc3ccccn3c(=O)c2cc(C(=O)NCc2ccc3OCOc3c2)c1=N
74590 CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)OC1CCCCC1
74591 CCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2ccc3OCOc3c2)c1=N
74592 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCc2ccc3OCOc3c2)c1=N
74593 CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc12
74594 CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12
74595 COc1ccc(CCNc2oc(nc2C#N)-c2ccco2)cc1
74596 COc1ccc(c(OC)c1)-n1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12 |(10.86,7.22,;11.89,6.08,;11.41,4.61,;9.91,4.3,;9.43,2.83,;10.46,1.69,;11.96,2,;12.99,.86,;14.5,1.18,;12.44,3.47,;9.98,.22,;10.88,-1.02,;12.42,-1.02,;9.98,-2.26,;10.46,-3.72,;9.43,-4.87,;11.96,-4.04,;12.44,-5.5,;13.95,-5.82,;15.09,-4.79,;16.42,-5.55,;16.11,-7.06,;14.58,-7.22,;8.52,-1.79,;7.19,-2.56,;5.85,-1.79,;4.48,-2.61,;3.08,-1.82,;3.08,-.21,;4.48,.58,;5.85,-.25,;7.19,.52,;8.52,-.25,)|
74597 COc1ccc(CCn2c3nc4c(C)cccn4c(=O)c3cc(C(=O)NCc3ccco3)c2=N)cc1
74598 CCC(C)OC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
74599 CCCOC(=O)c1c(N)n(CC=C)c2nc3ccccc3nc12
74600 CCn1nc(NC(=O)c2ccccn2)c2cc3cccc(C)c3nc12
74601 COCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)\c1=N/C(=O)c1ccc2OCOc2c1
74602 Cc1cc2OC(=N)C(C#N)C(c3cccc(Cl)c3)c2c(=O)n1C1CC1
74603 CCCC1C(C#N)C(=N)Oc2cc(C)n(C)c(=O)c12
74604 Cc1cc2OC(=N)C(C#N)C(c3ccco3)c2c(=O)n1CC1CCCO1
74605 Cc1ccc(cc1)N1C(=O)NC(=O)C2(Cc3ccccc3N3CCCC23)C1=O
74606 CCOC(=O)\C=C1/SCC(=O)N1CC(=O)c1ccc[nH]1
74607 O=C(Cc1nc2ccccc2[nH]1)NCc1ccco1
74608 CN1CCCN(C(=O)Cc2c(Cl)cccc2Cl)c2nc3ccccc3nc12
74609 Clc1ccc(NC(=O)COC(=O)CSCC(=O)N2CCCCC2)cc1
74610 CSc1ncccc1C(=O)OCC(=O)c1cc2ccccc2o1
74611 Cn1c(N)c(C(=O)COC(=O)C2(CCCC2)c2ccc(F)cc2)c(=O)n(C)c1=O
74612 O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccccn1
74613 CC1(C)CNC(=O)C=C(C1)c1ccccc1 |c:7|
74614 CNC(=Nc1cc(C)nn1CCC#N)c1ccccc1 |w:3.3|
74615 CC(=N)C(C#N)C(=O)COc1ncnc2ccccc12
74616 Cc1cc(Nc2ccccc2)nn1C(=O)c1ccccc1
74617 CC1(C)CC(=O)NC=C(C1)c1ccccc1 |c:7|
74618 CCn1c(SCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)nc2ccccc2c1=O
74619 Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)Nc1ccccc1
74620 CCn1c(=O)cc([nH]c1=O)N1CCCCC1
74621 CC(C)OC(=O)c1nnn(c1CN1CCCCCC1)-c1nonc1N
74622 O=c1cc([nH]c(=O)n1C1CCCCC1)N1CCc2ccccc2C1
74623 Cn1c2ccccc2c(OCCCC(=O)NCc2ccccn2)cc1=O
74624 COc1cccc(c1)C(=O)c1cc2ccc(O)cc2oc1=O
74625 COCCOC(=O)C1=C(C)OC(=N)C(C(=O)OC)C11C(=O)Nc2ccccc12 |c:7|
74626 O=c1cc([nH]c(=O)n1C1CCCCC1)N1CCC(Cc2ccccc2)CC1
74627 Cc1ccccc1-n1nc2CS(=O)(=O)Cc2c1NC(=O)c1cc2ccccc2oc1=O
74628 Fc1ccccc1N1CCN(CC1)c1nc2ccccc2n2nnnc12
74629 [H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1ccco1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|
74630 Brc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCC2(CC1)OCCO2
74631 CCOC(=O)N1CCN(CC1)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
74632 Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCC(=O)N1CCC(=CC1)c1ccccc1 |c:24|
74633 CC1CN(CC(C)O1)c1cc(=O)n(-c2ccccc2C)c(=O)[nH]1 |(3.08,6.16,;4.41,5.39,;4.41,3.85,;5.75,3.08,;7.08,3.85,;7.08,5.39,;8.41,6.16,;5.75,6.16,;5.75,1.54,;7.08,.77,;7.08,-.77,;8.41,-1.54,;5.75,-1.54,;5.75,-3.08,;7.08,-3.85,;7.08,-5.39,;5.75,-6.16,;4.41,-5.39,;4.41,-3.85,;3.08,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,)|
74634 COc1cc(NC(=O)c2cc(on2)-c2cccs2)cc(OC)c1OC
74635 Cc1ccccc1-n1c(=O)cc([nH]c1=O)N1CCC2(CC1)OCCO2 |(6.16,2.67,;5.39,1.33,;3.85,1.33,;3.08,,;3.85,-1.33,;5.39,-1.33,;6.16,,;7.7,,;8.47,1.33,;7.7,2.67,;10.01,1.33,;10.78,,;10.01,-1.33,;8.47,-1.33,;7.7,-2.67,;12.32,,;13.09,1.33,;14.63,1.33,;15.4,,;14.63,-1.33,;13.09,-1.33,;16.31,1.25,;17.77,.77,;17.77,-.77,;16.31,-1.25,)|
74636 CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ccccc2)c1C
74637 CCOC(=O)C1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
74638 CCCNS(=O)(=O)c1ccc2N(CCCc2c1)C(C)=O
74639 CCOc1ccc(NS(=O)(=O)c2ccc3N(CCc3c2)C(=O)CCC(O)=O)cc1
74640 CC1CN(CC(C)O1)c1cc(=O)n(-c2cc(Cl)ccc2C)c(=O)[nH]1 |(8.41,6.16,;7.08,5.39,;7.08,3.85,;5.75,3.08,;4.41,3.85,;4.41,5.39,;3.08,6.16,;5.75,6.16,;5.75,1.54,;7.08,.77,;7.08,-.77,;8.41,-1.54,;5.75,-1.54,;5.75,-3.08,;7.08,-3.85,;7.08,-5.39,;8.41,-6.16,;5.75,-6.16,;4.41,-5.39,;4.41,-3.85,;3.08,-3.08,;4.41,-.77,;3.08,-1.54,;4.41,.77,)|
74641 O=C(CN1CC(=O)Oc2ccccc12)NCc1ccco1
74642 Cc1ccc(cc1)N1CCN(C1c1ccccn1)c1ccc(C)cc1
74643 COc1ccccc1S(=O)Cc1ccc(o1)C(O)=O
74644 CCOC(=O)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
74645 COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccco3)cc2oc1=O
74646 Cc1ccc(Nc2nc(N)nc(CC#N)n2)cc1
74647 COC(=O)CSc1nc(N2CCOCC2)c2CN(C)C(C)(C)Cc2c1C#N
74648 CC(C)Oc1ccccc1C1C(C(=O)OCC2CCCO2)C(C)=NC2=C1C(=O)CC(C2)c1ccco1 |c:24,26|
74649 COc1ccccc1C1C(C(N)=O)C(C)=Nc2ncnn12 |c:15|
74650 Cc1cccc(C)c1N1CCN(CC1)S(=O)(=O)c1ccc(F)c(C)c1
74651 Cn1cnnc1SCC(=O)c1cc2ccccc2oc1=O
74652 CC(=O)Cc1nsc(NC(=O)c2ccc(o2)-c2cccc(c2)C(F)(F)F)n1
74653 Cc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccco1
74654 CC1(C)CC(=O)C=C(C1)Nc1ccc(cc1)S(N)(=O)=O |c:6|
74655 CC(C)(C)c1ccc(cc1)S(=O)(=O)NCC(=O)N1CCN(CC1)C(=O)c1ccco1
74656 CN1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccccc1
74657 Cc1onc(c1C(=O)Nc1cccc2nsnc12)-c1ccccc1
74658 Cc1nn(C(=O)c2ccco2)c(C)c1CN1C(=O)c2ccccc2C1=O
74659 CCCN(CCO)Cc1cccc(Br)c1
74660 Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1
74661 O=C(N1CCN(CCc2ccccc2)CC1)c1cc2ccccc2oc1=O
74662 Cc1ccc(OCC(=O)N2CCCCCC2)c(C)c1
74663 CC1CCc2c(C1)c1ccc(O)c(C)c1oc2=O
74664 CCC(C)c1ccc(OCC(O)=O)cc1
74665 Cc1noc(C)c1C(=O)Nc1sc2CCCc2c1C(N)=O
74666 Clc1ccc(NC(=O)N(CCC#N)c2ccccc2)cc1
74667 CC1CCN(CCCNC(=O)c2cc3c(C)nc4ccccc4c3o2)CC1
74668 CN(C)c1ccc(cc1)C1C2C(ON1c1ccc(Cl)cc1)C(=O)NC2=O
74669 Cc1cc(NCc2ccco2)nc2cc(O)ccc12
74670 CC(=O)N1CCC(CC1)N(CCN1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
74671 Nc1nc(nc(n1)N1CCOCC1)N(c1ccccc1)c1ccccc1
74672 CCn1c(=O)cc([nH]c1=O)N1CCC2(CC1)OCCO2
74673 CC1CN(CC(C)O1)c1cc(=O)n(-c2cccc(Br)c2)c(=O)[nH]1
74674 CC(=O)N1CCc2c(C1)sc(NC(=O)c1ccc3OCCOc3c1)c2C#N
74675 CN1CCN(CC1)c1cc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1
74676 CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3n(C)c(=O)n(C)c(=O)c23)cc1
74677 Cn1c(=O)cc([nH]c1=O)N1CCCCC1
74678 CCCSc1nnc(-c2c[nH]c3ccccc23)n1CC
74679 CN1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1)c2C(N)=O
74680 O=C(CSCC(=O)Nc1ccccc1)NC1CC1
74681 COC(=O)Nc1ccc(NC(C)=O)cc1
74682 CC(C)C1N(OC2=C1C(=O)CC(C)(C)C2)c1ccccc1 |c:6|
74683 COc1ccc(OC)c(c1)N(CC(O)=O)S(=O)(=O)c1ccc(OC)c(OC)c1
74684 CCc1ccc(cc1)C1C(C#N)C(=N)SC(=N)C1C#N
74685 Nc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C#N
74686 COc1ccc2c(CC#N)c[nH]c2c1
74687 CC(=O)N(c1c[nH]c2ccccc12)c1ccc(Cl)cc1
74688 CC1(C)CC(=O)C=C(C1)Nc1ccc2[nH]c(=O)[nH]c2c1 |c:6|
74689 CCS(=O)(=O)c1ccc(s1)S(=O)(=O)CC
74690 CCOc1ccc(cc1)C1C(=CN(CCOC)C=C1C(=O)OC)C(=O)OC |c:11,18|
74691 CCOC(=O)CNC(=O)c1ccc2[nH]c3CCCCc3c2c1
74692 N=C1SC(=N)C(C#N)C(C1C#N)c1cccc(Oc2ccccc2)c1
74693 c1csc(c1)-c1nc(ncc1-c1nnnn1-c1ccccc1)-c1cccnc1
74694 COc1ccc(OC)c(c1)S(=O)(=O)n1ccnc1C
74695 Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc12)c1nnnn1Cc1ccccc1
74696 CCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12
74697 COc1cc(cc(OC)c1OC)C(=O)NCCCNc1nc2cc(C)cc(C)c2cc1C#N
74698 CCC(=O)NCCNc1nc2cc(C)c(C)cc2cc1C#N
74699 CCN(CC)Cc1c(CC(C)C)oc(C)c1C(O)=O
74700 Cc1c(C=O)cnn1CCC(O)=O
74701 Cc1ccc(cc1)S(=O)(=O)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
74702 Cc1ccc2cc(C#N)c(nc2c1)N1CCCN(CC1)S(=O)(=O)c1ccc(F)cc1
74703 COc1cc(ccc1Cl)S(=O)(=O)NCCCN1CCOCC1
74704 Cc1ccc(NC(=O)Cn2nc(c3CCCc23)C(F)(F)F)cc1
74705 Cc1c(NC=C2C(=O)N(Cc3ccco3)C(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |w:4.3|
74706 CCOn1c2ccccc2[n+]([O-])c(-c2cccs2)c1=O
74707 CC(C)OC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)C2C1c1cccnc1 |c:6,t:9|
74708 Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c(Cl)c1
74709 COc1ccc(NC(=O)c2ccc3snnc3c2)cc1
74710 Cc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
74711 COc1ccc(cc1)N=Cc1nc(oc1O)-c1ccco1 |w:8.8|
74712 CCNc1nnc(CSc2nc3ccccc3s2)s1
74713 CC1(C)CC(=O)C=C(C1)NNC(=O)C1CCCCC1 |c:6|
74714 CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2C)cc1
74715 CCc1nc(N)c(C#N)c(c1C)-c1ccc(F)cc1
74716 COc1ccc(cc1)-n1cnc2cc(NCc3ccco3)ccc12
74717 CSc1nsc(CC=Nc2ccc(C)cc2)c1C#N |w:8.8|
74718 CC(C)N=Nc1nnc(Cl)c2ccccc12 |w:4.4|
74719 O=C(Cc1c2ccccc2nc2ccccc12)c1ccccc1
74720 COc1ccc(cc1OC)-n1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12
74721 COC(=O)c1c(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)sc2CN(C)CCc12
74722 O=C(Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCCC1)c1cccnc1
74723 CCOc1ccc(cc1)-n1c(N)c(C(=O)NCc2ccco2)c2nc3ccccc3nc12
74724 CCOc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
74725 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCCN3CCOCC3)c(C)c2c1
74726 COc1cccc(NC(=O)Nc2ccc3SCC(=O)N(C)c3c2)c1
74727 CCOC(=O)C1C(O)c2c(CC1c1ccc(OC)cc1)nc(C)c(C(=O)OCC)c2-c1ccccn1
74728 Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCc1ccco1
74729 O=C(c1ccco1)c1cc2c(ccc3ccccc23)oc1=O
74730 COC(=O)c1cccnc1NC(=S)NNC(=O)c1ccccc1
74731 CCOC(=O)C1C(O)c2c(CC1c1ccccc1OC)nc(C)c(C(=O)OCC)c2-c1ccccn1
74732 COC(=O)c1ccc2c(c1)nc(SCC(=O)C(C)(C)C)n(CCN1CCOCC1)c2=O
74733 COc1ccc(OCCSc2nnc(C(CO)NC(=O)c3ccc(OC)cc3)n2CC=C)cc1
74734 COc1ccc(CCNc2nc3ccccc3n3nnnc23)cc1OC
74735 CC(C)OCCCNC(=O)CCSc1ccc(Cl)cc1
74736 Brc1ccc(cc1)-n1c(=O)cc([nH]c1=O)N1CCN(Cc2ccccc2)CC1
74737 Nc1nc2nc(cc(n2n1)C(F)(F)F)-c1ccc(OCc2ccccc2)cc1
74738 CCOC(=O)C1C(O)c2c(CC1c1cccc(OC)c1)nc(C)c(C(=O)OCC)c2-c1ccccn1
74739 O=C(CCN1C(=O)COc2ccccc12)N1CCCCC1
74740 Nc1nc(CSc2nnnn2-c2ccc(Cl)cc2)nc(n1)N1CCOCC1
74741 Cc1ccc(Cn2ccc(NC(=O)c3noc-4c3CCc3ccccc-43)n2)cc1
74742 COc1cc(ccc1O)-c1nc2c[nH]ccn2c1=Nc1ccc(cc1)C(C)C |w:18.21|
74743 COC(=O)c1c(O)c(=Cc2cc(C)n(c2C)-c2ccccc2C)[nH]c1=C |w:8.8,(3.08,7.29,;4.41,6.52,;4.41,4.98,;3.08,4.21,;5.75,4.21,;5.91,2.68,;4.76,1.65,;7.41,2.36,;8.04,.95,;7.14,-.3,;5.6,-.3,;5.12,-1.76,;3.66,-2.24,;6.37,-2.67,;7.61,-1.76,;9.08,-2.24,;6.37,-4.21,;7.7,-4.98,;7.7,-6.52,;6.37,-7.29,;5.03,-6.52,;5.03,-4.98,;3.7,-4.21,;8.18,3.69,;7.15,4.83,;7.47,6.34,)|
74744 Cc1cc(Cl)c(cc1OCC(=O)NC1CCCCC1)S(=O)(=O)N1CCCC1
74745 COc1cc(cc(OC)c1OC)C(=O)Nc1sc2CN(CCc2c1C#N)C(C)=O
74746 CC1CC(C)CN(C1)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
74747 CC1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1
74748 Cc1ccc(cc1)S(=O)(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCC(CC1)C(N)=O)\C#N
74749 COc1ccc(cc1)C(=O)c1cc2ccc(O)cc2oc1=O
74750 Nc1nc(cc(=O)[nH]1)N1CCOCC1
74751 CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C
74752 COCC(C)OC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
74753 Cc1sc2NC(NC(=O)c2c1C)c1ccc(C)cc1O
74754 CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1c(C)n(C)n(-c2ccccc2)c1=O
74755 CCN(CC)Cc1c(O)c(Cl)cc2c3CCCCc3c(=O)oc12
74756 CCN(C(=O)c1c(C)cc(=O)oc1C)c1ccc2OCOc2c1
74757 CC(C)Sc1nc(N2CCOCC2)c2c3CC(C)(C)OCc3sc2n1
74758 CCOC(=O)C1CCCc2c1[nH]c1c(cccc21)C(N)=O
74759 O=c1c2ccccc2[nH]c2ccccc12
74760 CCC(=O)N(C)\C=C1/Sc2ccccc2C1=O
74761 CCOc1ccc(cc1)N=Cc1c(O)n(-c2cccc(C)n2)c(=O)c2ccccc12 |w:9.9|
74762 Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccc3OCOc3c2)c2ccccc2c1=O |w:13.14|
74763 Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1N=Cc1ccco1
74764 CC(NCCc1ccccc1)=C1C(=O)NC(=O)N(CC=C)C1=O |w:1.0|
74765 COc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1
74766 COc1ccc(CNc2ccc3n(cnc3c2)-c2ccccc2OC)cc1
74767 CCN1CCc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C1
74768 CN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
74769 NC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2c(=O)n1CC=C
74770 CCc1nnc(NC(=O)c2c(C)nn(c2Cl)-c2ccccc2)s1
74771 CCOC(=O)CSc1nnc(CSc2nc3sc4CCCCc4c3c(=O)[nH]2)n1-c1ccccc1
74772 Cc1sc2nc(COC(=O)Cc3ccccc3)[nH]c(=O)c2c1C
74773 Nc1c(sc(NCC=C)c1C#N)C(=O)c1ccc(Br)s1
74774 COc1cc2cc(C(N)=O)c(N)nc2cc1OC
74775 Fc1ccccc1Nc1ncccc1C(=O)OCC(=O)NCCN1C(=O)CSC1=O
74776 CCCCCN(C(=O)CN(C)Cc1ccc(OC)cc1OC)c1c(N)n(CCCC)c(=O)[nH]c1=O
74777 CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)C(C)C
74778 Oc1ccc2c(CN3CCN(CC3)S(=O)(=O)c3ccc4OCCOc4c3)cc(=O)oc2c1
74779 CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)NC(c1ccccc1)c1ccccc1
74780 COc1cc2c(cc1NC(=S)Nc1cccc3ccccc13)oc1ccccc21
74781 CCn1ncc(\C=C2/CCC\C(=C/c3cnn(CC)c3C)C2=O)c1C
74782 CC(C)(C)c1cc(C=NNC(=O)Cc2nc3ccccc3[nH]2)cc(c1O)C(C)(C)C |w:8.8|
74783 Cc1cc([nH]n1)C(=O)NNC1=CC(=O)CC(C)(C)C1 |t:11|
74784 COc1cc(OC)cc(c1)-c1cc2nc(C)cc(N3CCN(CC3)C(=O)c3ccco3)n2n1
74785 Cc1cc(C)c2c(N)c(sc2n1)C(=O)NN1CC(=O)N(CC1=O)c1ccccc1F
74786 NC(=N)SCc1nc2ccccc2c(=O)n1-c1ccccc1Cl |(2.16,14.08,;2.16,12.54,;.83,11.77,;3.49,11.77,;3.49,10.23,;4.83,9.46,;6.16,10.23,;7.49,9.46,;8.87,10.28,;10.27,9.49,;10.27,7.88,;8.87,7.09,;7.49,7.92,;6.16,7.15,;6.16,5.61,;4.83,7.92,;3.49,7.15,;3.49,5.61,;2.16,4.84,;.83,5.61,;.83,7.15,;2.16,7.92,;2.16,9.46,)|
74787 Nc1c(C#N)c2nc3ccccc3nc2n1CCNC(=O)c1ccc(Cl)cc1
74788 Cc1ccc2nc(NCC(O)=O)nc(-c3ccccc3)c2c1
74789 CCCN1CCC2(CC1)C(C#N)C(=N)Oc1c2sc2nc(C)cc(C)c12
74790 Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2OCOc2c1
74791 Fc1ccc(cc1)C(=O)Cc1nc2ncc(Br)cc2[nH]c1=O
74792 CN(C)c1nc(cc(c1C#N)C(F)(F)F)-c1ccccc1
74793 FC(F)(F)c1cccc(c1)-c1nc2c(C#N)c(ccn2n1)-c1ccc2OCOc2c1
74794 [H]C12CCC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(OCC)cc1[N+]([O-])=O |c:6,TLB:10:9:3.2:6.7,THB:13:8:3.2:6.7|
74795 Cc1ccc(s1)-c1c2CCCCc2nc(N)c1C#N
74796 CCOCCCNC(=S)NCCCNc1nc2cc3OCOc3cc2cc1C#N
74797 Cc1cccc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc12
74798 Cc1ccc(cc1)-c1nnn(CC(=O)N(C(C(=O)NCC2CCCO2)c2ccc(Cl)cc2)c2ccccc2)n1
74799 COc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1
74800 CCOCCCNC(=S)NCCNc1nc2c(C)cccc2cc1C#N
74801 CCN(CC)c1nc(cc(c1C#N)C(F)(F)F)-c1ccccc1
74802 CC(CC(=O)C(F)(F)F)=Nc1ccc(cc1)C(F)(F)F |w:9.9|
74803 Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(O)=O
74804 CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(cs2)-c2ccc(Cl)cc2)c1=O
74805 COc1cccc(c1)-c1cc(n2ncc(c2n1)S(=O)(=O)c1ccccc1)C(F)(F)F
74806 CCOC(=O)C(=C/c1ccc(cc1)N1CCN(C)CC1)\C#N
74807 NC(=O)c1ccccc1NC(=O)\C=C\c1ccc(Cl)cc1
74808 CCOc1ccc2nc(SCC(=O)NCc3ccc4OCOc4c3)[nH]c2c1
74809 CCOC(=O)c1c(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)sc2CN(C)CCc12
74810 Oc1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:7.7|
74811 COc1ccc(cc1)C(=O)CC(C)=NCc1ccc2OCOc2c1 |w:13.14|
74812 CCOc1ccccc1NC1=CC(=O)CC(C1)c1ccccc1 |t:11|
74813 Cc1cccc(Oc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1C
74814 COc1ccc(cc1)C(=O)\C=C/c1ccc(NC(=O)c2cccs2)cc1
74815 Cc1ccc(\C=C\C(=O)Nc2cccc3ncccc23)o1
74816 CCc1ccccc1NC(=O)C(=C/c1ccc(Sc2ccccc2)o1)\C#N
74817 Cc1ccc(NC(=S)NCCN2CCOCC2)cc1
74818 Cc1cccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)c1
74819 COc1cc(NCc2cc(Br)c(OCC=C)c(OC)c2)ccc1NC(=O)C(C)C
74820 Cc1c(C=NNC(=O)C2COc3ccccc3O2)c2ccccc2n1C |w:4.4|
74821 CCOC(=O)c1ccc(CNC(=O)CSc2nnc(o2)-c2ccncc2)cc1
74822 Cc1cccc(Oc2nc3ccccn3c(=O)c2\C=C(/C#N)C(=O)NC2CCS(=O)(=O)C2)c1
74823 CCCC(=O)NNc1c2ccccc2nc2ccccc12
74824 COc1ccc(cc1)N1C2=C(C(c3cn(C)nc3C)C3=C1CC(C)(C)CC3=O)C(=O)CC(C)(C)C2 |c:10,21|
74825 O=C(Nc1ccccc1C#N)C1CN(C(=O)C1)c1ccc2CCc3cccc1c23
74826 [O-][N+](=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
74827 O=C1NC(=O)\C(=C\N2CCCc3ccccc23)C(=O)N1Cc1ccccc1
74828 Cc1sc(NC(=O)c2ccccc2)c(C#N)c1-c1ccccc1
74829 O=C(N1CCOCC1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
74830 CCCOc1ccc(Cn2ccnc2)cc1[N+]([O-])=O
74831 COC(=O)c1ccc(NC(=O)C(=O)N2CCN(CC2)C(=S)Nc2ccccc2OC)cc1
74832 N=C1OC2=C(CCc3ccccc23)C(C1C#N)c1ccccc1 |t:3|
74833 Cc1cccc(C=Nc2sc3CN(Cc4ccccc4)CCc3c2C#N)c1O |w:7.7|
74834 COc1c([c-](\C=C(/C#N)c2[nH]c3ccccc3[nH+]2)ccc1=O)[N+]([O-])=O
74835 Cc1ccc2cc(CN(CC3CCCO3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C
74836 COc1ccccc1-c1c2CCc3ccccc3-c2nc(N)c1C#N |(3.16,-2.82,;4.49,-2.04,;5.83,-2.79,;5.85,-4.33,;7.19,-5.08,;8.51,-4.3,;8.5,-2.76,;7.15,-2.01,;7.14,-.47,;8.51,.36,;9.85,-.41,;11.18,.36,;11.18,1.9,;12.58,2.68,;12.59,4.28,;11.21,5.08,;9.82,4.27,;9.85,2.67,;8.51,1.9,;7.14,2.72,;5.74,1.93,;4.41,2.71,;5.74,.33,;4.41,-.45,;3.08,-1.22,)|
74837 Clc1ccc2sc3ccccc3c(=O)c2c1
74838 CC1CCc2c(C1)sc(NC(=O)CCCn1nc(c(Cl)c1C)[N+]([O-])=O)c2C(N)=O
74839 CC(=O)Nc1cccc(c1)C(=O)NN=Cc1ccc(F)cc1
74840 CCOC(=O)c1c2CCCCc2sc1N1N(O)c2ccccc2NC1=O
74841 O=C(Nc1cccc(c1)-c1nc2ccccc2s1)c1cccs1
74842 CC(=O)c1cc2OCOc2cc1N=C(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 |w:12.13|
74843 CN(Cc1ccco1)C(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(C)=O)c1
74844 CCN(CCO)C(=S)Nc1cc(ccc1C(=O)OC)C(=O)OC
74845 [H]C12CCN(CC1)c1sc(N\C=C3/C=CC(=O)C=C3O)c(C#N)c21 |c:14,18,TLB:20:23:2.3:6.5,THB:8:7:2.3:6.5|
74846 Cc1cccc(c1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|
74847 CCOC(=O)C(=C\c1ccc(cc1)N1CCN(C)CC1)\C#N
74848 CCOC(=O)CNc1ncc(cc1C#N)[N+]([O-])=O
74849 Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Oc1ccc2ccc(=O)oc2c1)c1ccccc1
74850 O=C1NC(=O)\C(=C/N2CCCc3ccccc23)C(=O)N1Cc1ccccc1
74851 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccccc2)c1CSc1ccc(Cl)cc1
74852 CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1\C=C(/C#N)C(=O)NCC=C
74853 CC1CC1c1ccc(\C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1
74854 CC1CC1c1ccc(\C=C(/C#N)C(=O)Nc2ccccc2Cl)o1
74855 Cc1ccccc1N=Cc1cc2C(C(C#N)C(=N)Oc2cc1O)c1ccccc1 |w:7.7|
74856 CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:9,t:4|
74857 COc1ccc(cc1)C1c2c(Oc3ncn(Cc4ccco4)c(=N)c13)ccc1ccccc21
74858 COC(=O)Cn1c2ccc(OC)cc2s\c1=N\C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
74859 O=C(Cn1nnc2ccccc12)NN=Cc1cccs1
74860 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NCc1nnc(SC(C)C)n1C1CCCCC1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
74861 Cc1cccc(CN2CCc3c(OCC(=O)N4CCCc5ccccc45)cccc3C2=O)c1
74862 COc1cc2CCN(Cc3cc(=O)oc4c(C)c(C)ccc34)Cc2cc1OC
74863 O=C(COC(=O)c1ccc2ccccc2c1)NCCCc1ccccc1
74864 COc1cc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)cc(OC)c1OC
74865 Fc1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
74866 Cc1cccc(C)c1OCC(=O)OCC(=O)C(C#N)c1nc2ccccc2[nH]1
74867 CCN(CC)S(=O)(=O)c1ccc(\C=C\C(=O)Nc2ccc(F)cc2F)cc1
74868 CN(Cc1ccc(cc1)C(=O)NNC1=CC(=O)CC(C)(C)C1)S(=O)(=O)c1ccc(C)cc1 |t:14|
74869 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c(c2)[N+]([O-])=O)cc1
74870 NS(=O)(=O)c1ccc(CCNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
74871 COc1ccc2cc(CCN3C(=O)c4ccccc4C3=O)c(=O)[nH]c2c1
74872 Cc1cc(O)ccc1NC1=CC(=O)CC(C)(C)C1 |t:10|
74873 Cc1cc(Nc2ccccc2)nc2cc(O)ccc12
74874 Clc1cncc(Cl)c1NNc1c2ccccc2nc2ccccc12
74875 Cc1cccc(c1)-c1nnc(NC(=O)c2ccc(cc2)-n2c(O)ccc2O)s1
74876 CCCc1c2ccccc2nc2ccccc12
74877 CN(CCc1ccccn1)C(=S)Nc1cc(C)ccc1C
74878 COc1cc2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)Cc2cc1OC
74879 CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1
74880 COc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)N1CCCC1
74881 Fc1ccc(N=NC=CCc2ccccc2)c(F)c1 |w:5.4,8.8|
74882 CCOC(=O)C(=NNc1ccc(cc1)C(C)=O)c1csc(Nc2ccccc2)n1 |w:6.6|
74883 COc1ccccc1CNC(=O)COC(=O)Cc1ccc(Cl)cc1
74884 CN1CCN(CC1)c1ccc(cc1NC(=O)Cc1ccc(Cl)cc1)S(=O)(=O)N1CCCCC1
74885 CCOC(=O)c1c(C)c(sc1NC(=O)CN1CCCc2ccccc12)C(C)=O
74886 COc1ccc(NC(=O)COC(C)=O)cc1Cl
74887 Cc1cccc(Nc2nnc(SCC(=O)C(C#N)c3nc4ccccc4[nH]3)s2)c1C
74888 Oc1ccc2c(CN3CCN(CC3)S(=O)(=O)\C=C\c3ccccc3)cc(=O)oc2c1
74889 CC(C)Cn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O
74890 COCCNC(=O)C(=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1)\C#N
74891 NS(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
74892 CCOC(=O)C1C(c2sccc2C)C2=C(CCCC2=O)OC1=N |t:14|
74893 CC1=NN(C(=O)Cn2nc(cc2C)[N+]([O-])=O)C(O)(C1)C(F)(F)F |t:1|
74894 Cc1[nH]c2ccccc2c1C=C1SC(Nc2ccc(C)cc2)=NC1=O |w:10.11,c:24|
74895 CC(C)NC(=O)C1CC=CCC1C(O)=O |c:8|
74896 COc1ccc(cc1)-c1c(C)sc(NC(=O)c2ccnn2C)c1C#N
74897 COc1ccc(cc1COc1ccc(F)cc1)C1NCCc2c1[nH]c1ccccc21
74898 CCN(CC)c1ccc(C=NNC(=O)c2c(Cl)cnn2C)c(O)c1 |w:10.10|
74899 [O-][N+](=O)c1cc(C#N)c(cc1NCC1CCCO1)C#N
74900 COc1ccc2cc(C(C)=O)c(=O)oc2c1
74901 CC1(C)CC(=O)C=C(C1)NNC(=O)Cc1ccccc1 |c:6|
74902 CC1(C=CCN1C(=O)c1ccccc1)C(O)=O |c:2|
74903 Cc1cccc(c1)C1=NN([C@H]([C@@H]1c1ccc(F)cc1)C(=O)N1CCOC1=O)c1ccc(Br)cc1 |t:8|
74904 CCSc1nnc(-c2cc(Br)ccc2N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 |w:14.14|
74905 COC(=O)C1=CN(Cc2cccs2)C=C(C1c1ccc(OC)cc1OC)C(=O)OC |c:14,t:4|
74906 Cc1cc(Cl)ccc1C(=O)C1CCCN(C1)C(=O)c1[nH]nc2CCCCc12
74907 O=C(Cc1ccsc1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
74908 Cc1cc(no1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl
74909 Cc1ccccc1NC(=O)C(=C/c1cn(CC(O)=O)c2ccccc12)\C#N
74910 COc1ccc(cc1NC(=O)CSc1ncccn1)[N+]([O-])=O
74911 OCCNCc1cccc(OCc2ccccc2Cl)c1
74912 NNC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1cccs1
74913 CCOC(=O)C1(CC2CCCCO2)CCN(CC1)C(=O)Nc1ccc2OCOc2c1
74914 Fc1ccc(cc1)C(=O)\C=C\c1ccc[nH]1
74915 COc1ccccc1NC(C)=C1C(=O)CC(CC1=O)c1ccccc1 |(3.08,-4.7,;4.41,-3.93,;5.75,-4.7,;5.75,-6.24,;7.08,-7.01,;8.41,-6.24,;8.41,-4.7,;7.08,-3.93,;7.08,-2.39,;8.41,-1.62,;9.75,-2.39,;8.41,-.08,;9.75,.69,;11.08,-.08,;9.75,2.23,;8.41,3,;7.08,2.23,;7.08,.69,;5.75,-.08,;9.18,4.34,;10.72,4.34,;11.49,5.67,;10.72,7.01,;9.18,7.01,;8.41,5.67,)|
74916 CCn1c(O)c(C=Nc2ccccc2)sc1=S |w:7.7|
74917 COc1cccc(NC(=O)CSc2ncc(c(=O)[nH]2)S(=O)(=O)c2ccccc2)c1
74918 Cc1ccc(cc1)C(=O)NNc1cc(O)n(c1O)-c1ccc2OCCOc2c1
74919 CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
74920 COc1ccc(OC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1
74921 [O-][N+](=O)c1ccc(CNC2CCCc3ccccc23)cc1
74922 OCC1(Cc2cccc(Cl)c2)CCCN(Cc2ccc3cc(F)ccc3n2)C1
74923 CN1CCN(CC1)c1nc(=S)n(c(C)c1C(C)=O)-c1cc(C)ccc1C |(7.08,6.93,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,.77,;8.41,,;8.41,-1.54,;9.75,-2.31,;7.08,-2.31,;5.75,-1.54,;4.41,-2.31,;5.75,,;4.41,.77,;3.08,,;4.41,2.31,;7.08,-3.85,;8.41,-4.62,;8.41,-6.16,;9.75,-6.93,;7.08,-6.93,;5.75,-6.16,;5.75,-4.62,;4.41,-3.85,)|
74924 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)c1
74925 COCCNC(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
74926 COc1cc(\C=C\c2[nH]c(=O)c(c(O)[nH+]2)[N+]([O-])=O)c[c-](CC=C)c1=O
74927 COc1ccc2=NC(=NNC(c3ccc(C)o3)=c2c1)c1cccnc1 |c:7,17,t:5|
74928 CC1C=CCc2c(O)n(c(O)c12)-c1ccccc1OC(=O)c1cccs1 |c:2,(4.41,5.43,;4.41,3.89,;3.08,3.12,;3.08,1.58,;4.41,.81,;5.75,1.58,;7.2,1.11,;7.68,-.36,;8.1,2.35,;7.2,3.59,;7.68,5.05,;5.75,3.12,;9.64,2.35,;10.41,3.68,;11.95,3.68,;12.72,2.35,;11.95,1.01,;10.41,1.01,;9.64,-.32,;10.41,-1.65,;11.95,-1.65,;9.64,-2.99,;10.27,-4.4,;9.13,-5.43,;7.79,-4.66,;8.11,-3.15,)|
74929 [O-][N+](=O)c1cccc(c1)-c1n[nH]c(=S)n1-c1ccc(Br)cc1
74930 CCOc1ccc(OCc2ccc(cc2)C(=O)N(CC)CC)cc1
74931 Clc1ccccc1C(=O)NN=Cc1sc(nc1-c1ccccc1)N1CCOCC1
74932 OC(=O)Cn1cc(\C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc12
74933 Cc1ccc(C2C(C#N)C(=N)N(C3=C2C(=O)CCC3)c2cccnc2)c(C)c1 |c:12|
74934 CNC(=S)Nc1ccc(cc1)C(N)=O
74935 Clc1ccc(NC2=CC(=O)CC(C2)c2ccco2)c(Cl)c1 |t:6|
74936 Oc1c(C=Nc2ccccc2)sc2ccccc12 |w:4.4|
74937 COCCN1C=C(C(C(=C1)C(=O)OC)c1ccc(Cl)cc1)C(=O)OC |c:5,8|
74938 COc1ccc(\C=C2/SC(=S)N(CC(=O)OCC(=O)Nc3ccc(C)cc3Cl)C2=O)cc1
74939 CC(C)(C)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
74940 O=C(Cc1ccccc1)NNc1c2ccccc2nc2ccccc12
74941 Cn1c(SCc2ccccc2F)nnc1-c1ccccn1
74942 CC(C)CN(CC(C)C)Cc1c(O)ccc2ccccc12
74943 Cc1cc(CNC(=O)COc2ccc(F)cc2)c2ccccc2n1
74944 Cc1cccc(N2CCN(CC2)C(=O)C2COc3ccccc3O2)c1C
74945 Cc1c(NC2=CC(=O)CCC2)c(=O)n(-c2ccccc2)n1C |t:4|
74946 O=C(NC1CCCCCC1)C(=S)NCCc1ccccc1
74947 CC1CN(Cc2c(O)c(Cl)cc3c(C)cc(=O)oc23)CC(C)O1
74948 COc1ccc(NC(=O)N2CCCCCC2)cc1
74949 OC(=O)Cn1cc(\C=C2/SC(=O)N(C2=O)c2ccccc2)c2ccccc12
74950 [O-][N+](=O)c1ccccc1\C=C\C(=O)N1CCN(CC1)c1ccc(F)cc1
74951 C=CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1
74952 CC(C)(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(n1)N1CCOCC1
74953 OC(=O)c1ccccc1C(=O)Nc1ccc(Br)c2cccnc12
74954 Cn1cc(CN=O)nc2c1nc(=O)n(-c1ccccc1)c2=O
74955 [#7]-c1c(\[#6]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)nc2scc(-c3ccccc3)n12 |c:5,9|
74956 CCOC(=O)c1oc2c(CN3CCN(CCO)CC3)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1
74957 Oc1ccc(\C=C(/C#N)C(=O)NCc2ccccc2)cc1Br
74958 CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccccn2)CC1
74959 COCc1ccc(CN2CCCC(CO)(Cc3ccccc3C)C2)o1
74960 OCCC1CN(Cc2cccn2-c2cccnc2)CCN1Cc1ccc(F)cc1
74961 Fc1ccc(OCc2cc(no2)C(=O)N2CCCC(C2)c2ccccc2)c(Cl)c1
74962 Oc1c(C=Nc2ccccc2)sc(=S)n1Cc1ccccc1 |w:4.4|
74963 CCN(CC)CCCNC(=S)N(Cc1cccs1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
74964 CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(Cl)cc1
74965 CC(N=N)c1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
74966 COC(=O)C1=CN(C=C(C1c1ccc(cc1)C(F)(F)F)C(=O)OC)C1CC1 |c:7,t:4|
74967 [#6]-c1cc(\[#6]=[#6](\C#N)C#N)ccc1-[#7]-1-[#6]-[#6]-[#6]-[#6]-1
74968 CCCn1c(O)c(C=Nc2ccccc2)sc1=S |w:8.8|
74969 COC(=O)c1cc2n(C)ccc2n1C
74970 C(CN1CNC(Nc2nc3ccccc3s2)=NC1)N1CCOCC1 |c:17|
74971 COc1ccc(CCn2c(C)nc3ccccc3c2=O)cc1OC
74972 O=C(Nc1ccccc1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
74973 Nc1nc2CCCc2c(-c2ccccc2)c1C#N
74974 Clc1ccc(cc1)-c1ncc2ccccn12
74975 CC1(C)CC(=O)C=C(C1)NNC(=O)C1CC11CCC1 |c:6|
74976 COc1ccc(cc1)C(=O)Cn1ccc(=[NH2+])c(C)c1C
74977 Cc1cccc2cc(C#N)c(NCCNC(=O)COc3ccccc3)nc12
74978 S=c1[nH]c2ccc3ccccc3c2[nH]1
74979 OCCNc1c2ccccc2nc2ccccc12
74980 Clc1ccc(\C=C\c2ncc3ccccn23)cc1
74981 CC(NCc1cccs1)C(=O)NC1CCCCC1
74982 COC(=O)C1=CN(CC2CCCO2)C=C(C1c1cccc(O)c1)C(=O)OC |c:14,t:4|
74983 Cc1c(cnn1C)S(=O)(=O)N1CCCC(C1)C(O)=O
74984 COc1ccc(cc1S(=O)(=O)N(C)C)C(O)=O
74985 OCCNc1nc(nc2ccccc12)-c1ccccc1
74986 CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1
74987 O=c1n2CCCCCc2nc2ccc(NC(=S)N3CCC(CC3)N3CCCCC3)cc12
74988 CC(=O)c1c(C)n(CC=C)c(=S)nc1N1CCN(CC1)C(c1ccccc1)c1ccccc1
74989 Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c(=O)c2c1C
74990 CCN(C(=O)c1ccc(Cl)cc1[N+]([O-])=O)c1ccccc1C
74991 CNc1cc(F)nc(F)n1
74992 [O-][N+](=O)c1cccc(c1)C1NC(=O)c2ccccc2O1
74993 O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1
74994 CCS(=O)(=O)c1nc(c(NCc2ccccn2)s1)S(=O)(=O)c1ccc(C)cc1
74995 CCCc1noc(n1)-c1cccc(c1)[N+]([O-])=O
74996 Cc1cccc(C)c1NC(=O)C1N(Cc2cccs2)C(=O)C[n+]2ccccc12
74997 Clc1c2CCCCc2nc2cc(ccc12)C(=O)NC1CC1
74998 NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(Br)s2)cc1
74999 COc1cccc(c1)C1=NOC(C1)C(=O)Nc1cc(C)on1 |t:9|
75000 COCCNc1cc(C)nc2cc(nn12)-c1ccc(C)cc1
75001 COc1cc(\C=C2\SC(=S)N(CC=C)C2=O)ccc1OC(=O)c1ccco1
75002 Clc1ccccc1-c1ccc(C=NNC(=O)c2ccccc2)o1
75003 Cc1cccc(NC(=O)c2cc3COc4cccc(C)c4-c3s2)n1
75004 CCOc1ccc(cc1)C(=O)c1cc2ccc(O)cc2oc1=O
75005 COc1ccccc1C(=O)c1cc2ccc(O)cc2oc1=O
75006 COc1ccc(cc1)C(=O)Nc1sc2CN(CCc2c1C#N)C(C)=O
75007 CCN1CCN(CC1)c1cc(=O)n(Cc2ccc(F)cc2)c(=O)[nH]1
75008 CCn1c(=O)cc([nH]c1=O)N1CCOCC1
75009 CCOC(=O)N1CCN(CC1)c1cc(=O)n(-c2ccccc2C)c(=O)[nH]1 |(8.41,8.47,;7.08,7.7,;7.08,6.16,;5.75,5.39,;4.41,6.16,;5.75,3.85,;7.08,3.08,;7.08,1.54,;5.75,.77,;4.41,1.54,;4.41,3.08,;5.75,-.77,;7.08,-1.54,;7.08,-3.08,;8.41,-3.85,;5.75,-3.85,;5.75,-5.39,;7.08,-6.16,;7.08,-7.7,;5.75,-8.47,;4.41,-7.7,;4.41,-6.16,;3.08,-5.39,;4.41,-3.08,;3.08,-3.85,;4.41,-1.54,)|
75010 COC(=O)c1ccc2nc(NC(=O)C(C)(C)C)sc2c1
75011 Cn1c(NNC(=O)c2cccc3ccccc23)cc(=O)n(C)c1=O
75012 CCC1CCCCN1C(=O)COc1cccc2C(=O)N(C)CCc12
75013 Cn1c(SCc2cccc(c2)[N+]([O-])=O)nc2CCSc2c1=O
75014 Fc1ccc(cc1)C1CC(=NN1C(=O)CSC1=NN2CCCC(=O)N=C2S1)c1ccc(Br)cc1 |c:10,26,t:18|
75015 O=c1oc2ccc3ccccc3c2cc1C#N
75016 COc1ccc2cc(C#N)c(nc2c1)N1CCN(CC1)C(=O)c1ccccc1C
75017 CON=Cc1cc(cn1C)C(=O)c1ccc(Cl)cc1Cl
75018 Cc1[nH]c2ccccc2c1\C=C\c1nc2ccccc2c(=O)n1CCO
75019 CN(C)\C=C\C(=O)\C=C\c1ccc(Cl)cc1
75020 Cc1sc2ncnc(NCc3cccnc3)c2c1C
75021 COC(=O)c1cc([nH]n1)C(=O)OC
75022 CCOC(=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC
75023 [O-][N+](=O)c1cc(CN2CCCC2)ccc1Sc1ccc(Cl)cc1
75024 CCCn1cc(O)c(C#N)c1O
75025 CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
75026 COc1ccc(cc1CN1CCN(CC1)c1ccc(F)cc1)C1NC(Cc2c1[nH]c1ccccc21)C(O)=O
75027 CC(C)SCC(=O)Nc1ncc2CCc3ccccc3-c2n1
75028 Clc1ccc(cc1)C(=O)Nc1ccnc(n1)-c1ccncc1
75029 N(c1ccccc1)c1nc2ccccc2n2nnnc12
75030 CC1CN(CC(C)O1)c1nc(C)c(cc1C#N)C(C)=O
75031 CN1c2ccsc2C(=O)C(C(=O)Nc2c(C)cccc2C)S1(=O)=O
75032 CN(C)C=Nc1nc2nccc(-c3cccs3)n2n1
75033 Cn1nnnc1SCC(=O)Nc1nn(nc1C(N)=O)-c1ccccc1
75034 CNS(=O)(=O)c1cc(OC)c(OC)cc1CC(=O)OC
75035 O=C(\C=C\c1ccc[nH]1)c1ccccc1
75036 COCCNC(=O)C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)\C#N
75037 CC(=O)ON=Cc1c(Cl)n(C)c2ccccc12 |w:4.3|
75038 OC(C(=O)NNc1c2ccccc2nc2ccccc12)c1ccccc1
75039 CCCc1n(CC(O)COCc2ccccc2)c2ccccc2[n+]1C
75040 COc1ccc(cc1)C(=O)NNCc1c(O)c(C)ncc1C=O
75041 COc1ccc(cc1OC)-c1cc(nc2ccc3ccccc3c12)C(O)=O
75042 CS(=O)(=O)c1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:14|
75043 CN(C)\C=N\C(=O)c1cc(c[nH]1)C(=O)c1ccc(cc1)C(C)(C)C
75044 COC(=O)c1cc(NC(=O)c2ccc(cc2)[N+]([O-])=O)c(=O)oc1C
75045 OC(=O)c1cn(Cc2cccnc2)c(=O)c2ccccc12
75046 COc1ccccc1NC(=O)c1cc2ccccc2nc1C
75047 Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(C)c1
75048 O=C(CSc1ccccn1)C(C#N)c1nc2ccccc2s1
75049 COc1ccc(cc1)N1Cc2ccccc2C1=NC(=O)Nc1ccccc1 |w:17.20|
75050 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1c(NCC(C)O)nc2ccccc12 |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
75051 COc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1cccnc1
75052 CCCCn1c(N)c(N2CCOCC2)c(=O)n(CC(=O)NC(C)c2ccccc2)c1=O
75053 CN1CCc2nc(NC(=O)COc3ccc(cc3)C#N)sc2C1
75054 O=C(CN1CCN(C\C=C\c2ccccc2)CC1)NC(=O)NC1CCCCC1
75055 CN(CCOc1ccccc1)CC(=O)Nc1ccc(Cl)cc1[N+]([O-])=O
75056 CN1CCN(CC1)C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
75057 COc1cc(cc(OC)c1OC)-c1cc2nc3ccccc3n2c(N)c1C#N
75058 Cc1cc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)n1CC1CCCO1
75059 CCCCn1c(N)c(N(CCOC)C(=O)CN2C(C)Cc3ccccc23)c(=O)[nH]c1=O
75060 COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCOCC2)cc1
75061 NC(=S)Cc1nc(cs1)-c1ccc(Cl)cc1
75062 OC(=O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1
75063 COc1ccc(cc1)C(CNC(=O)c1cc(F)c(F)c(F)c1F)N1CCOCC1
75064 COC(=O)C1C(C(=O)OC(C)C(=O)c2ccccc2)C(C(=O)OC)=C(C)N=C1C |c:27,t:24|
75065 CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1O
75066 Cc1cc(C(=O)COc2ccc(C)nc2[N+]([O-])=O)c(C)n1CC(F)(F)F
75067 Oc1cnnc2ccccc12
75068 CCN1CCc2nc(NC(=O)c3cc(F)c(F)cc3Cl)sc2C1
75069 Cc1ccc(cc1)S(=O)(=O)NCCN(CCNS(=O)(=O)c1ccc(C)cc1)S(C)(=O)=O
75070 CCCn1c2nc3ccccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1cccnc1
75071 CCc1cc2c(COC(=O)c3c(C)noc3C)cc(=O)oc2cc1O
75072 CCOCCCNC(=O)NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
75073 COc1ccc(cc1)N1C(=O)CC(C#N)C1=N
75074 CSc1ccc(\C=C(\Sc2nnc(o2)-c2ccccc2)C(O)=O)cc1
75075 Cn1c2ncc(NNC(=O)c3ccc(cc3)[N+]([O-])=O)nc2c(=O)n(C)c1=O
75076 O=C(NC1=NCCS1)c1cc(nc2ccccc12)-c1cccnc1 |t:3|
75077 CNC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1
75078 CC(C)CCN(CCC(C)C)CC(O)Cn1c2ccccc2c(=O)c2ccccc12
75079 Oc1c(C=NN2CCCCCC2)c(=O)[nH]c(=O)n1-c1cccc2ccccc12 |w:4.4,(7.72,1.65,;9.05,.88,;9.05,-.66,;7.72,-1.43,;7.72,-2.97,;6.39,-3.74,;5.11,-2.87,;3.64,-3.33,;3.08,-4.76,;3.85,-6.09,;5.37,-6.32,;6.5,-5.28,;10.39,-1.43,;10.39,-2.97,;11.72,-.66,;11.72,.88,;13.06,1.65,;10.39,1.65,;10.39,3.19,;9.05,3.96,;9.05,5.5,;10.39,6.27,;11.72,5.5,;13.1,6.32,;14.49,5.53,;14.49,3.93,;13.1,3.14,;11.72,3.96,)|
75080 OC(=O)C(=O)C(=C/c1ccc(cc1)C#N)\c1ccc2ccccc2n1
75081 CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1cccc(c1)C(C)=O
75082 CCOC(=O)c1c2CCN(C)Cc2sc1N=Cc1ccc(C)cc1O |w:15.16|
75083 NNc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1C1CCCCC1
75084 CC1=NN(C(=O)c2ccccc2)C(O)(C1)c1ccc(Br)cc1 |t:1|
75085 Cc1cccn2c1nc(Oc1ccccc1)c(\C=C(/C#N)C(N)=O)c2=O
75086 CC(=O)c1sc2nc(C)c3CCCCc3c2c1N
75087 Cc1sc2NC(NC(=O)c2c1C)c1ccccc1F
75088 O=C(CN1CCOCC1)NNc1c2ccccc2nc2ccccc12
75089 CCC(=O)Nc1ccc(cc1)N=C(N)Nc1nc(C)cc(C)n1 |w:11.11|
75090 OCCCC(=O)NNc1c2ccccc2nc2ccccc12
75091 Cc1ccc(cc1C)-n1c(O)c(C=NN2CCCCCC2)c(=O)[nH]c1=O |w:13.14|
75092 Nc1ccccc1C(=O)NNc1c2ccccc2nc2ccccc12
75093 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NNc1c2ccccc2nc2ccccc12 |TLB:5:3:11:6.9.8,8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2,2:1:9:3.12.5|
75094 O=C(NC1CCCCC1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
75095 Cc1cccc(c1)N1C(=S)S\C(=C/c2cccnc2)C1=O
75096 CC(C)NC(=O)C(=C\c1ccc(o1)N(C)C)\C#N
75097 COc1ccc(Oc2nc3c(C)cccn3c(=O)c2\C=C(/C#N)C(N)=O)cc1
75098 CCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc12
75099 CCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
75100 Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1
75101 COc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
75102 COc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1OC
75103 CC1CCCCN1Cc1c(O)ccc2c1occ(-c1nc3ccccc3s1)c2=O
75104 COc1cc(cc(OC)c1OC)C(=O)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
75105 COCCN1C=C(C(C(=C1)C(=O)OC)c1cc(Br)c(OC)c(OC)c1)C(=O)OC |c:5,8|
75106 OS(=O)(=O)CCCN1C(Sc2ccccc12)=C1SC(S)=NC1=O |w:8.8,c:21|
75107 CN(C)S(=O)(=O)c1cccc(NC(=O)CNC2CCCCC2)c1
75108 CCn1c2ccccc2c2cc(NC(=O)CNC)ccc12
75109 OC(=O)COc1ccc(F)cc1Br
75110 CC(C)n1c(=O)[nH]c2Oc3ccc(Cl)cc3C(c2c1=O)[c-]1c(=O)[nH]c(=O)n(C(C)C)c1=O
75111 CCOCCCNC(=O)C(=C\c1cc(Br)c(O)c(Br)c1)\C#N
75112 C[C@@H]1[C@H]([C@@H](NC(=O)N1Cc1ccccc1)c1cccc(c1)C(F)(F)F)C(C)=O
75113 COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc(OC)cc3)C=C2C1=O |c:32,t:13,15|
75114 Cc1cc2C(C(=O)Nc2c(C)c1)=c1sc2=NCN(Cn2c1=O)c1ccccc1 |t:16|
75115 COc1ccc(cc1)-n1c(=S)[nH]c2sc3CN(C)CCc3c2c1=O
75116 COC(=O)c1cc(=O)n2c(sc3ccccc23)c1C#N
75117 Clc1ccc(s1)C(=O)CCN1CCC(=N1)c1ccc(Cl)s1 |c:14|
75118 Cc1ccc(cc1)N1CC(=O)N(CC1=O)NC(=O)c1sc2nc(C)cc(C)c2c1N
75119 Cc1ccc(Nc2nc(N)[nH]c(=O)c2N=O)cc1
75120 CN1CC2=CC(O)CC3Oc4c(c(C1)ccc4O)[C@]23C |t:3|
75121 Cc1ccc(C2=Nc3ncnn3C(C2)c2ccccc2)c(C)c1 |t:5|
75122 Cc1cc(C)c(cc1C)C1=Nc2ncnn2C(C1)c1ccccc1 |t:10|
75123 OC1C2C(CCCC2C(O)=O)CN2CCc3c([nH]c4ccccc34)C12
75124 Cc1ccc(CNC(=O)c2cccnc2)cc1
75125 FC(F)(F)Oc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1
75126 O=Cc1ccc(cc1)N1Cc2ccccc2C1
75127 CC(C)(C)CN1CCC(CC1)Oc1cccc(c1)C(=O)NCC=C
75128 [H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1ccccc1C(C)C |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
75129 COc1cc2CCN(Cc3ccccc3)Cc2cc1OC
75130 CC1(C)CCC(=O)C=C1Nc1ccc(F)c(Cl)c1 |c:7|
75131 COc1ccccc1\C=C\c1nc(C#N)c(o1)N(C)C
75132 Cc1ccc(cc1[N+]([O-])=O)\N=C\c1cc2OCOc2cc1[N+]([O-])=O
75133 [H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)NCCc1ccc(F)cc1 |TLB:12:7:6:3.2,THB:9:8:6:3.2|
75134 COc1cc(CN2CCN(Cc3c[nH]c4ccccc34)CC2CCO)cc(OC)c1
75135 COCCOC(=O)C1C(NC(=O)N=C1C)c1cccc2ccccc12 |c:12|
75136 CCCCOc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
75137 COc1cc(ccc1OCC#C)C1C2=C(CC(C)(C)CC2=O)N(CC(O)=O)C2=C1C(=O)CC(C)(C)C2 |c:29,t:14|
75138 CCC(CC)COC(=O)C1C(NC(=O)N=C1C)c1ccc(cc1)N(C)C |c:14|
75139 CN1CCCN(Cc2cccc3ccccc23)CC1
75140 CCOC(=O)c1sc(N=NCc2cc(Br)c(O)c(OC)c2)nc1C |w:8.7|
75141 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1ccc(F)cc1)C(=O)OC |c:19,t:4|
75142 COC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:17,t:4|
75143 Oc1ccc(Br)cc1C=Nn1c(n[nH]c1=S)-c1ccccc1 |w:9.10|
75144 COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1cccc(O)c1)C(=O)OC |c:19,t:4|
75145 COC(=O)C1=CN(C=C(C1c1cccc(F)c1)C(=O)OC)c1ccc(OC)cc1 |c:7,t:4|
75146 COC(=O)C1=CN(Cc2ccccc2)C=C(C1c1ccc(O)c(OC)c1)C(=O)OC |c:15,t:4|
75147 OC(=O)c1cccc(Nc2c3ccccc3nc3ccccc23)c1
75148 Fc1ccc2[nH]c(=O)nc(-c3ccccc3Cl)c2c1
75149 Cc1ccc(Cl)cc1-n1c(O)cc(Sc2ncccn2)c1O |(3.12,-3.15,;4.46,-3.92,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;8.46,-6.23,;7.12,-3.92,;5.79,-3.15,;5.79,-1.61,;4.54,-.7,;3.08,-1.18,;5.02,.76,;6.56,.76,;7.47,2.01,;6.84,3.41,;7.74,4.66,;7.12,6.07,;5.59,6.23,;4.68,4.98,;5.31,3.58,;7.04,-.7,;8.5,-1.18,)|
75150 COc1c2ccccc2nc2ccccc12
75151 Cc1cc(C)c2nc(N3CCOCC3)c(cc2c1)C#N
75152 Cc1ccc(NC(=O)c2c(O)c3ccccc3n(CC=C)c2=O)cc1
75153 CCOc1cccc(NC(=O)C(=C/c2cn(CC(O)=O)c3ccccc23)\C#N)c1
75154 COCCNC(=S)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
75155 CN(C)CCCNC(=S)N1CCCN(CC1)c1nc2cc(C)ccc2cc1C#N
75156 COc1ccc(cc1)C(=O)NCCNc1nc2c(C)cccc2cc1C#N
75157 COc1cc(cc(OC)c1OC)C(=O)NCCNc1nc2cc(C)ccc2cc1C#N
75158 COc1cc(cc(OC)c1OC)C(=O)C(C#N)c1nc2ccccc2[nH]1
75159 COc1ccc(NC(=O)c2cc3ccc(=O)cc3oc2NO)cc1
75160 Cc1ccc2nc(NCCNC(=O)c3ccccc3)c(cc2c1)C#N
75161 Cc1ccc2nc(N3CCN(CC3)C(=O)c3ccc(F)cc3)c(cc2c1)C#N
75162 COc1cc(OC)cc(c1)C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
75163 CC(C)N(C(C)C)S(=O)(=O)c1ccc(NC(=O)c2cnc(C)cn2)cc1
75164 COc1ccccc1C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
75165 Cc1ccc2nc([nH]c2c1)C(=Cc1ccc(O)c(O)c1)C#N |w:11.13|
75166 COc1ccc(CC2NCCC3=CC(=O)CCC23)cc1O |t:11|
75167 CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@]12C |c:18,21,t:11|
75168 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cc(=O)oc2cc(O)ccc12
75169 COC(=O)C(C)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
75170 COC(=O)Cn1c(=O)n(C)c2nc3N(CCc4ccccc4)CCCn3c2c1=O
75171 CCOC(=O)C1C(c2ccc(O)c(OC)c2)c2c(OC1=N)ccc1ccccc21
75172 COCCCNC(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N
75173 COC(=O)COc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
75174 COc1ccc(CNCc2c(O)c(Cl)cc3c(C)c(C)c(=O)oc23)c(OC)c1
75175 CCCn1nc(NC(=O)CC(C)C)c2cc3cccc(C)c3nc12
75176 CCN(CC)C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccco1
75177 CCC(NC(=O)OCc1ccccc1)C(=O)Oc1ccc2ccc(=O)oc2c1
75178 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
75179 CCc1cc(=O)oc2c(CNCc3ccc(OC)cc3OC)c(O)c(Cl)cc12
75180 CC(N1CCCCC1)c1nc2ccccc2n1Cc1ccccc1
75181 COc1ccccc1Nc1c2ccccc2nc2ccccc12
75182 COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N
75183 CCOC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccc(OC)cc1)\C#N
75184 COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccc(OC)cc1)\C#N
75185 COc1cccc(c1)-c1coc2c(C)c3oc(=O)c(CC(O)=O)c(C)c3cc12
75186 Cc1c(CC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12
75187 COc1cc2sc3ccc(cc3c(=O)c2cc1OC)C#CC1(O)CCCCC1
75188 CN(C)C(=O)Oc1ccc2C(=O)\C(Oc2c1C)=C\c1ccco1
75189 COc1cc2CCN(CC(=O)Nc3ccc(F)cc3)Cc2cc1OC
75190 Cn1c(nc2c1[nH]c(=O)n(C)c2=O)-c1ccc(Cl)cc1
75191 COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O
75192 CCc1ccc(CNc2ccc3n(CC)cnc3c2)cc1
75193 CC(C)(C)n1cnc2cc(NCc3ccc(Br)cc3)ccc12
75194 CCCn1cnc2cc(NCc3ccc(Br)cc3)ccc12
75195 Cc1c(CC(O)=O)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12
75196 Cn1c2ccccc2c(=O)c2ccc(F)cc12
75197 Oc1ccc2cc(C(=O)c3ccc(F)cc3)c(=O)oc2c1
75198 CCc1ccc(cc1)C(=O)c1cc2ccc(O)cc2oc1=O
75199 Oc1ccc2cc(C(=O)c3ccc(Br)cc3)c(=O)oc2c1
75200 COC(=O)C1=CN(Cc2ccccc2)C=C(C1c1cc(F)ccc1F)C(=O)OC |c:15,t:4|
75201 COc1ccc(Cl)cc1S(=O)(=O)Nc1noc2ccccc12
75202 CC(C)(C)Nc1c2ccccc2nc2ccccc12
75203 COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1
75204 OC(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
75205 Fc1ccccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
75206 Oc1cccc(Nc2c3ccccc3nc3ccccc23)c1
75207 CCOCCCNC(=O)c1cc(nc2ccccc12)-c1ccc(Br)s1
75208 N(c1cccnc1)c1c2ccccc2nc2ccccc12
75209 Oc1ccc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2c1
75210 CCOC(=O)CC(N=Nc1ncnc2ccccc12)c1ccccc1 |w:8.8|
75211 COc1cc2CCN(CC(O)c3ccccc3)Cc2cc1OC
75212 Cn1c2ncn(CCOc3ccc(F)cc3)c2c(=O)n(C)c1=O
75213 COc1cc(OC)cc(c1)C(=O)Nc1sc2CCCc2c1C(N)=O
75214 CC12OC1C1(O)CCCC1=CC2=O |c:11|
75215 CCN1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OC
75216 CCN(Cc1ccccc1)C(=O)CN1C(=O)NC(CC)(C1=O)c1ccc(F)cc1
75217 CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CC)CCc12
75218 CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2CN(CCc12)C(C)C
75219 CCN1CCc2c(C1)sc(NC(=O)C1CCCCC1)c2C(=O)OC
75220 COc1ccc(cc1OC)-c1c(C)c2ccc(O)cc2oc1=O
75221 COC(=O)c1c(NC(=O)C(C)(C)C)sc2CN(Cc3ccccc3)CCc12
75222 OC(=O)c1ccccc1CC(=O)Nc1cccc2ccccc12
75223 CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2CN(CC)CCc12
75224 Clc1ccc(cc1)C(=O)NNc1c2ccccc2nc2ccccc12
75225 Cc1ccc(O)c(Nc2c3ccccc3nc3ccccc23)c1
75226 CCCCc1cc(-c2nnc(S)o2)c2ccccc2n1
75227 NC(=O)NN=Cc1ccccc1OC(=O)c1cc2ccccc2oc1=O |w:4.3|
75228 COc1ccc(cc1)-c1c(C)c2ccc(O)cc2oc1=O
75229 Cc1cnc(=O)[nH]c1SCC(=O)c1ccc(F)cc1
75230 CC(=NNC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O |w:2.2|
75231 CC1CN(Cc2cc(=O)oc3cc(O)ccc23)CC(C)O1
75232 OC(=O)c1c2CCC\C(=C/c3ccc(OC(F)F)cc3)c2nc2ccccc12
75233 O=C(N1CCN(Cc2ccccc2)CC1)c1cc2c(nc3ccccn3c2=O)s1
75234 Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
75235 Cc1cccn2c1nc(Oc1ccc(F)cc1)c(\C=C(/C#N)C(=O)NC1CCS(=O)(=O)C1)c2=O
75236 COc1ccc(cc1)-c1nc2ccc(cc2nc1-c1ccc(OC)cc1)C(=O)NCCCN1CCOCC1
75237 CCN1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CC(C)OC(C)C1)c2C(N)=O
75238 COc1cccc(c1)-c1cc(C(=O)NC2CC2)c2ccccc2n1
75239 COc1ccc(cc1)N1C(=O)N2[C@@H]([C@H]3[C@H](C(=O)N(C3=O)C(C)(C)C)[C@]2(Cc2ccccc2)C1=O)c1ccc(Br)cc1
75240 Cn1cnc(c1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1
75241 CC(C)c1ccc(CN2CCC(CC2)Oc2ccc(cc2)C(=O)N2CCCC2)cc1
75242 CC(C)Cc1ccc(CN2CCC(CC2)n2nccc2NC(=O)C2CCCC2)cc1
75243 CC1CC(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccccc2S1(=O)=O
75244 COc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)C(C)CC2=O)cc1
75245 CC(CC(F)(F)F)N1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
75246 COc1ccc2c(C)c(oc2c1)C(=O)N1CC[C@H]([C@H](O)C1)N1CCC(O)CC1
75247 CC1CCCCN1C(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC1
75248 OC[C@@H]1CCCN1Cc1c(nc2ccc(Cl)cn12)C(=O)N1CCCCCCC1
75249 COc1ccc(cc1)S(=O)Cc1ccc(o1)C(=O)NC1CC1
75250 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)NCc1ccccc1
75251 CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cccc(Cl)c1
75252 CC(NC(=O)C(=C\c1ccc(cc1)N1CCOCC1)\C#N)c1ccccc1
75253 NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2OCCOc2c1
75254 COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)C1CC1
75255 Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(C)nc2)cc1
75256 CCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2n(C)c(=O)n(C)c(=O)c12
75257 CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)CCC(=O)Nc1nccs1
75258 CN(C)c1ccc(\C=C(/NC(=O)c2ccccc2)C(=O)NCc2ccncc2)cc1
75259 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C1CCCCC1
75260 Cc1ccc(cc1)S(=O)(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C2CCCCC2)c1=N
75261 CC#CC(=O)N1CCC(CC1)C(=O)Nc1ccc(Oc2ccccc2)nc1
75262 CCCC(C)c1nnc(NC(=O)C2CN(C(=O)C2)c2ccc(OCC)cc2)s1
75263 COc1cccc(c1)N1CCN(CC1)C(=O)c1cc2c(ccn(Cc3ccccc3)c2=O)nc1C
75264 Cc1ccc(cc1C)S(=O)(=O)NCCc1cn2nc(C)c(C)nc2n1
75265 Cc1nc2nc(CCNS(=O)(=O)c3ccc(Cl)cc3)cn2nc1C
75266 Cc1c(CC(=O)N2CCN(CC2)C(=O)C2COc3ccccc3O2)c(=O)oc2cc(O)c(Cl)cc12
75267 O=C(N\N=C\c1sc(=O)[n-]c1-[n+]1ccc2ccccc2c1)c1ccccc1
75268 CSCC(C)N1CCC(CC1)n1nccc1NC(=O)c1ccccc1C
75269 CC(C)(C)CN1CCC(CC1)n1nccc1NC(=O)c1ccccc1Cl
75270 Cc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc2OCOc2c1
75271 Clc1ccc2N(CCS(=O)(=O)c3ccccc3)C(=O)C(=O)c2c1
75272 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1
75273 CCCCc1cc(=O)oc2c(C)c(OCC(=O)NCc3ccccn3)ccc12
75274 COc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NC3CCCCC3)c2=N)cc1
75275 COc1ccc(Cn2c3nc4ccccn4c(=O)c3cc(C(=O)NCC3CCCO3)c2=N)cc1
75276 Nc1c(\C=C2/C=Nc3ccccc23)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12 |c:5|
75277 CCC(=NNC(=O)c1cc(n[nH]1)C1CC1)c1ccccc1 |w:3.3|
75278 COc1ccc(Br)cc1C=CC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 |w:9.9|
75279 Brc1ccc(cc1)C(=O)NC(=S)N1CCCCC1c1cccnc1
75280 COc1ccccc1CNC(=O)Cn1ccsc1=N
75281 Cc1c(O)ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc12
75282 COc1ccc(cc1)N1CCN(CC1)c1ncnc2scc(-c3ccc(OC)cc3)c12
75283 Cc1c(O)ccc2c(C)c(CCC(=O)NCCCN3CCCC3=O)c(=O)oc12
75284 C[C@H](O)c1[nH]c2cc(F)ccc2c1[C@H](C)O
75285 COc1ccccc1C#Cc1ccc2c(c1)n(C)c1ccccc1c2=O
75286 CN1CCN(CC1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
75287 Cc1c(CC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(O)=O)c(=O)oc2cc(O)ccc12
75288 COC(=O)c1ccc2c(c([nH]c2c1)C(C)(C)O)C(C)(C)O
75289 Clc1cccc(NC(=O)c2cc3c(nc4ccccn4c3=O)s2)c1
75290 COc1ccc(CNC(=O)C2CN(C3CCCCC3)C(=O)C2)cc1
75291 CC(CC(F)(F)F)N1CCC(CC1)n1nccc1NC(=O)CCOc1ccccc1
75292 CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2ccncc2)C(=O)C1=O)c1ccc(cc1)N(C)C
75293 Cc1c(O)ccc2c(C)c(CC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)c(=O)oc12
75294 COc1ccc(CCn2c3nc4c(C)cccn4c(=O)c3cc(C(=O)NCC3CCCO3)c2=N)cc1
75295 Cc1c(OCC(=O)NCc2ccncc2)ccc2c3CCCc3c(=O)oc12
75296 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(C3CCCCC3)c2=N)cc1OC
75297 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(CC3CCCO3)c2=N)cc1OC
75298 COc1ccc(CCNC(=O)c2cc3c(nc4ccccn4c3=O)n(CCCN3CCOCC3)c2=N)cc1OC
75299 CN(C)CCCN(C(=O)CS(=O)(=O)c1ccc(C)cc1)c1nc2ccc(C)cc2s1
75300 CN(C)CCCN(C(=O)c1ccc(Br)s1)c1nc2cc3OCCOc3cc2s1
75301 CCOC(=O)c1c(NC(=O)c2cccc(c2)-n2c(O)ccc2O)sc2CN(CC)CCc12
75302 Fc1cc(F)c2nc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)sc2c1
75303 CC(OC(=O)CNC(=O)c1cccc(F)c1)C(=O)NC1CCCCC1C
75304 Cc1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)nc1
75305 CCOC(=O)c1ccccc1NC(=O)COC(=O)C(CCSC)NC(=O)COc1ccccc1
75306 CCOC(=O)C1CCN(CC1)C(=O)COC(=O)c1ccc2[nH]c3CCCCc3c2c1
75307 Cc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N2CCCCCC2)c1C
75308 CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1cccc(C)n1
75309 CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
75310 CC(=NOCC(=O)OCC(=O)NC(=O)c1ccccc1)c1ccc2OCOc2c1
75311 CCN(CC(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1)Cc1ccccc1
75312 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(NC(=O)Cc3ccccc3)cc2CC1=O
75313 C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2c(NC(=O)c3ccc(cc3)-c3nccs3)cccc2C1=O
75314 C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2ccc(NC(=O)Nc3ccc4OCOc4c3)cc2CC1=O
75315 C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2c(C)noc2C)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O
75316 COC(=O)N(C)C[C@H]1OCc2cn(CCCC(=O)N(C[C@H]1C)[C@@H](C)CO)nn2
75317 C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
75318 C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)Oc2ccc(cc2CC1=O)N(C)C
75319 C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)c3ccc(cc3)-c3nccs3)cccc2C1=O
75320 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3OCOc3c2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C1=O
75321 C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc(NS(C)(=O)=O)cc2C1=O
75323 OC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
75324 OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)o1
75325 OC(=O)CN1C(=S)S\C(=C\c2ccc(cc2)C(O)=O)C1=O
75326 OC(=O)CN1C(=S)S\C(=C\c2cccc(c2)[N+]([O-])=O)C1=O
75327 OC(=O)Cn1c(O)c(C=Nc2ccccc2)sc1=S |w:9.9|
75328 COc1ccc(\C=C2/SC(=S)N(C(CC(O)=O)C(O)=O)C2=O)cc1
75329 COc1cc(\C=C2/SC(=NC2=O)N(C)c2ccc(O)cc2)ccc1OCC(O)=O |c:8|
75330 COc1ncccc1-c1nnn(n1)-c1ccccc1
75331 c1ccc(cc1)-n1nnc(n1)-c1cccnc1
75332 c1ccc(cc1)-n1nnc(n1)-c1cnc2ccccc2c1
75333 Clc1nc2ccccc2cc1-c1nnn(n1)-c1ccccc1
75334 COc1ncccc1-c1nnn(n1)-c1ccc(Cl)c(Cl)c1
75335 Clc1ccc(cc1Cl)-n1nnc(n1)-c1cccnc1Cl
75336 Clc1ccc(cc1Cl)-n1nnc(n1)-c1cccnc1
75337 Clc1ccc(cc1Cl)-n1nnc(n1)-c1cnc2ccccc2c1
75338 Clc1ccc(cc1Cl)-n1nnc(n1)-c1cc2ccccc2nc1Cl
75339 COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(Cl)c(Cl)c1
75340 COc1ncccc1-c1nnn(n1)-c1ccc(F)cc1
75341 Fc1ccc(cc1)-n1nnc(n1)-c1cccnc1
75342 Fc1ccc(cc1)-n1nnc(n1)-c1cnc2ccccc2c1
75343 Fc1ccc(cc1)-n1nnc(n1)-c1cc2ccccc2nc1Cl
75344 COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(F)cc1
75345 COc1ncccc1-c1nnn(n1)-c1ccc(C)cc1
75346 Cc1ccc(cc1)-n1nnc(n1)-c1cccnc1
75347 Cc1ccc(cc1)-n1nnc(n1)-c1cnc2ccccc2c1
75348 Cc1ccc(cc1)-n1nnc(n1)-c1cc2ccccc2nc1Cl
75349 COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(C)cc1
75350 COc1ncccc1-c1nnn(n1)-c1ccc(Cl)nc1
75351 Clc1ccc(cn1)-n1nnc(n1)-c1cccnc1Cl
75352 Clc1ccc(cn1)-n1nnc(n1)-c1cccnc1
75353 Clc1ccc(cn1)-n1nnc(n1)-c1cnc2ccccc2c1
75354 Clc1ccc(cn1)-n1nnc(n1)-c1cc2ccccc2nc1Cl
75355 COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccc(Cl)nc1
75356 Cc1ccccc1-n1c(N)c(sc1=S)C(=O)N1CCOCC1 |(3.12,-3.15,;4.46,-3.92,;4.46,-5.46,;5.79,-6.23,;7.12,-5.46,;7.12,-3.92,;5.79,-3.15,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;7.47,2.01,;9,1.85,;6.84,3.41,;5.31,3.58,;4.68,4.98,;5.59,6.23,;7.12,6.07,;7.74,4.66,)|
75357 COc1ccc(Cl)cc1-n1c(N)c(sc1=S)C(=O)N1CCOCC1 |(3.08,-3.92,;4.41,-3.15,;5.75,-3.92,;5.75,-5.46,;7.08,-6.23,;8.41,-5.46,;9.75,-6.23,;8.41,-3.92,;7.08,-3.15,;7.08,-1.61,;8.33,-.7,;9.79,-1.18,;7.85,.76,;6.31,.76,;5.84,-.7,;4.37,-1.18,;8.76,2.01,;10.29,1.85,;8.13,3.41,;6.6,3.58,;5.97,4.98,;6.88,6.23,;8.41,6.07,;9.04,4.66,)|
75358 Cc1ccc(C)c(c1)-n1c(N)c(sc1=S)C(=O)N1CCCCC1 |(8.46,-6.23,;7.12,-5.46,;5.79,-6.23,;4.46,-5.46,;4.46,-3.92,;3.12,-3.15,;5.79,-3.15,;7.12,-3.92,;5.79,-1.61,;7.04,-.7,;8.5,-1.18,;6.56,.76,;5.02,.76,;4.54,-.7,;3.08,-1.18,;7.47,2.01,;9,1.85,;6.84,3.41,;5.31,3.58,;4.68,4.98,;5.59,6.23,;7.12,6.07,;7.74,4.66,)|
75359 Nc1c(sc(=S)n1-c1ccc(F)c(Cl)c1)C(=O)N1CCOCC1
75360 Cc1ccc(cc1C)-n1c(N)c(sc1=S)C(=O)Nc1ccccc1F
75361 Cc1ccc(NC(=O)c2sc(=S)n(c2N)-c2cc(C)ccc2F)cc1 |(10.46,7.31,;9.56,6.07,;10.18,4.66,;9.28,3.41,;7.74,3.58,;6.84,2.33,;7.47,.92,;9,.76,;6.56,-.32,;5.02,-.32,;4.54,-1.79,;3.08,-2.26,;5.79,-2.69,;7.04,-1.79,;8.5,-2.26,;5.79,-4.23,;7.12,-5,;7.12,-6.54,;8.46,-7.31,;5.79,-7.31,;4.46,-6.54,;4.46,-5,;3.12,-4.23,;7.12,4.98,;8.02,6.23,)|
75362 Cc1ccc(cc1)-n1c(N)c(sc1=S)C(=O)N1CCN(CC1)c1ccccc1F
75363 NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1
75364 NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
75365 NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1
75366 NS(=O)(=O)c1ccc(NC(=S)NC2CCCC2)cc1
75367 CCNS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
75368 NS(=O)(=O)c1ccc(NC(=S)Nc2ccc3CCCc3c2)cc1
75369 NS(=O)(=O)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1
75370 NS(=O)(=O)c1ccc(NC(=S)NC2CCCc3ccccc23)cc1
75371 Cc1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
75372 Cc1cccc(NC(=S)Nc2ccc(cc2)S(N)(=O)=O)c1
75373 [O-][N+](=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
75374 N#Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
75375 FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
75376 COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
75377 CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
75378 CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
75379 Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
75380 COc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
75381 Cc1c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cccc1[N+]([O-])=O
75382 Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
75383 Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1ccco1
75384 Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1F
75385 Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(C)c1
75386 Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(c1)C(F)(F)F
75387 FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)ccc1Cl
75388 [O-][N+](=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
75389 N#Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
75390 FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
75391 COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
75392 CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
75393 CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
75394 Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1
75395 COc1cccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1
75396 Cc1c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cccc1[N+]([O-])=O
75397 Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1
75398 Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccs1
75399 Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F
75400 Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(C)c1
75401 Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(c1)C(F)(F)F
75402 FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)ccc1Cl
75403 Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1
75404 CC(C)OC(=O)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
75405 CC(C)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
75406 CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1ccccn1
75407 Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccn3)cc2c1
75408 CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1ccccc1
75409 CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1cccs1
75410 Clc1ccc2[nH]c(=O)c(CN(CC3CC3)C(=O)c3ccccn3)cc2c1
75411 Clc1ccccc1Cn1c(SCc2ccccc2)nnc1-c1ccccn1
75412 COc1ccc(Cn2c(SCc3ccccc3)nnc2-c2ccccn2)cc1
75413 C(Sc1nnc(-c2ccccn2)n1Cc1ccccc1)c1ccccc1
75414 C(Sc1nnc(-c2ccccn2)n1Cc1cccnc1)c1ccccc1
75415 C(Sc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccccc1
75416 Brc1ccc(cc1)-c1nnc(SCc2ccccc2)n1Cc1ccco1
75417 Clc1ccccc1Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccn1
75418 Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1
75419 Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1
75420 Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1
75421 Brc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)cc1
75422 FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2Cl)ccc1Cl
75423 COc1ccc(Cn2c(SCc3ccc(Cl)c(c3)C(F)(F)F)nnc2-c2ccccn2)cc1
75424 FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)ccc1Cl
75425 FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)ccc1Cl
75426 FC(F)(F)c1cc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)ccc1Cl
75427 FC(F)(F)c1cc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)ccc1Cl
75428 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2Cl)cc1Cl
75429 COc1ccc(Cn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccn2)cc1
75430 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1Cl
75431 Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1Cl
75432 Clc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1Cl
75433 Clc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)cc1Cl
75434 COc1ccc(Cn2c(SCc3ccc(Br)cc3)nnc2-c2ccccn2)cc1
75435 COc1ccc(cc1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O
75436 CCOCCCNC(=O)C(=C\c1ccc(Cl)c(c1)[N+]([O-])=O)\C#N
75437 C[C@H]1CC2O[C@]3(C)C[C@H](C)CC4OC(=O)CC4OC3CC2OC2CC=CCC3OC4CCCC5OC6CC7O[C@H](CC(=C)C=O)C[C@H](O)C7OC6C[C@]5(C)OC4\C=C/CC3OC12 |c:63|
75438 COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN(C)C)cc1
75439 CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
75440 COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1
75441 COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
75442 COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
75443 COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
75445 Cc1ccccc1-c1nc(no1)-c1cccnc1
75446 COCC(=O)Nc1nnc(s1)-c1cccs1
75447 CCOc1ccccc1NC(=O)c1ccc2nccnc2c1
75448 [O-]n1[o+]nc-2c1CCc1nnc(cc-21)-c1ccccc1
75449 CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
75450 CC(C)CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
75451 CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
75452 O=C(Nc1ccon1)c1cnc2sccn2c1=O
75453 COC(=O)c1ccccc1NC(=O)Cn1ccnc1
75454 Clc1ccc2oc(nc2c1)-c1cccc(NC(=O)C2CCCO2)c1
75455 CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
75456 CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1
75457 COc1ccc(cc1)N1CCN(CC1)c1cc(C)c2ccc(O)cc2n1
75458 Cc1nc2nc(C)cc(Nc3ccc(Br)cc3)n2n1
75459 CCCCc1cc2c3ccccc3oc(=O)c2c(NC(C)=O)n1
75460 Cc1ccc(cc1C)-n1c(=O)[nH]cc(C(=O)Nc2ccc3OCOc3c2)c1=O
75461 O=C(Nc1ccc2OCOc2c1)c1ccncc1
75462 Cc1cc(C)nc(Nc2ncc(O)n2-c2ccccc2)n1
75463 O=C1c2ccccc2-c2nc3ccccc3nc12
75464 CC(=O)Nc1cccc2C(=O)N(C(=O)c12)c1ccc(C)cc1
75465 COc1cc2nc(cc(O)c2cc1OC)-c1cccc(F)c1
75466 CC(=O)c1noc(C)c1C(=O)Nc1nccs1
75467 Cc1nccc(n1)-c1ccc(cc1)-n1cnc2ccccc12
75468 COc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)N(C)C(C)=O
75469 O=C(NC1CCCC1)c1cc2c(ccc3ccccc23)o1
75470 COc1ccccc1C(=O)Nc1ccc(cc1)N1CCCCC1
75471 [O-]n1[o+]nc2c1ccc1nnc(cc21)-c1ccccc1
75472 CCOC(=O)c1oc2ccccc2c1N
75473 CC(=O)n1cc(C=NNC(=O)c2sc(C)nc2C)c2ccccc12
75474 Cc1nc(C)c(s1)C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|
75475 COc1cc2c(cc1NC(=O)Nc1ccc(C)cc1)oc1ccccc21
75476 Cc1nc(N)nc(Nc2ccc(Cl)cc2)c1Br
75477 Nc1c(C#N)c(nn1CCO)C(=C/c1ccccc1)\C#N
75478 COc1cccc(c1)C(=O)O[N-]C(=[NH2+])c1ccc(cc1)[N+]([O-])=O
75479 Clc1ccc(cc1)C(=O)Nc1ccccc1OC(=O)c1ccc(Cl)cc1
75480 Oc1oc(nc1C=Nc1nccs1)-c1ccccc1 |w:7.8|
75481 COc1ccc(CN=Nc2nc3ccccc3[nH]2)cc1OC |w:8.8|
75482 CC(N=Nc1ccc(F)cc1)c1ccc(Cl)s1 |w:3.3|
75483 Cc1cc(=O)[nH]c(N=NCc2ccc(Br)s2)n1 |w:7.6|
75484 O=C(NN=Cc1cn(CC#C)c2ccccc12)c1cc2ccccc2o1
75485 NNc1nc2sc-3c(CCc4ccccc-34)c2c(=O)[nH]1
75486 CCN(N=Cc1ccc(Cl)cc1)c1cc(=O)n(C)c(=O)[nH]1 |w:3.2|
75487 [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)-c1nc(no1)-c1ccncc1
75488 O=C(COc1cccc2cccnc12)NN=Cc1cn(CC#C)c2ccccc12
75489 COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1nnc(s1)C1CC1
75490 Nc1c(oc2ccccc12)C(=O)c1ccc(Br)cc1
75491 CCCc1nn(C)c(C(=O)Nc2cccc3ccccc23)c1Cl
75492 Oc1ccc2ccc(=O)oc2c1C(=O)\C=C/c1cccs1
75493 CC(C=Cc1cccc(c1)[N+]([O-])=O)=NNC(=O)c1cccnc1 |w:13.14,3.3|
75494 COc1ccc(NC(=O)c2ccc(C)cc2)c(OC)c1
75495 Cc1ccc(Nc2ncccc2C(N)=O)cc1
75496 [O-][N+](=O)c1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
75497 CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
75498 COc1ccc(C)cc1N=C(N)Nc1nc(C)cc(C)n1 |w:9.9|
75499 COc1ccccc1NC(=O)Nc1cccnc1
75500 COc1ccccc1NC(=O)c1ccc2n(C)nnc2c1
75501 CN1CCN(CC1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1
75502 COc1ccc(C=NNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c(C(O)=O)c1OC
75503 CCOCC(=O)Nc1cccc(-c2nc3cccnc3s2)c1C
75504 Cc1cc(C)n2cc(c(C(O)=O)c2n1)-c1ccc(Cl)cc1
75505 Cc1c(cc(NC(=O)c2ccc(Cl)cc2)c(=O)n1N)-c1cc[nH]n1
75506 Cc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1
75507 CC(=NNC(=O)c1cccnc1)c1ccc(cc1)-n1ccnc1 |w:2.2|
75508 CC(=O)c1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1
75509 Cc1ccc(C=Nn2cc([nH]c2=S)-c2ccccc2)s1 |w:6.6|
75510 Cn1c(N)c(sc1=S)C(=O)Nc1ccccc1F
75511 Cc1nc(Cl)sc1C(=O)Nc1ccc(cc1)C(F)(F)F
75512 Cc1ccc[n+](CC(=O)c2ccc(Br)cc2)c1C
75513 COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1
75514 COc1ccccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccccc1OC
75515 COCC(=O)N1CCc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2C1
75516 Cn1c(cc2cc(Cl)ccc12)C(=O)N1CCC(CC1)C(N)=O
75517 CCCNc1nc(Cl)nc(Nc2ccc(Cl)cc2)n1
75518 CCc1ccc2[nH]c3nc(N=NCc4ccc(O)cc4O)nnc3c2c1 |w:10.9|
75519 Nc1cccc(Nc2ncnc3ccccc23)c1
75520 Cc1ccc2n(C)c3nc4ccccc4nc3c2c1
75521 [O-][N+](=O)c1cnc(Nc2ccc(Cl)cn2)c(c1)[N+]([O-])=O
75522 Cc1nnc(s1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
75523 CCOc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
75524 COc1ccc(CN=Nc2cc(C)nc3ccccc23)cc1 |w:8.8|
75525 CN(C)CCCN1C(=O)c2cccc3cccc(C1=O)c23
75526 COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1
75527 COc1ccc(cc1)-c1oc2ccc(cc2c1C#Cc1ccc(N)cc1)N1CCOCC1
75528 Clc1cccc(NC(=O)c2ccc(=O)[nH]n2)c1
75529 Clc1cccc(NC(=O)c2cccnn2)c1
75530 CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
75531 Cc1ccc(C)c2sc(NC(=O)C3CC3)nc12
75532 COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)ccc1O |w:6.6|
75533 COc1cc(C=NNC(=O)c2cccnc2)cc2OCOc12
75534 Fc1ccc(NC(=S)NC(=O)C2CC2)cc1Cl
75535 Cc1cnc(NC(=O)c2c(Cl)cnn2C)s1
75536 Fc1ccc(c(F)c1)S(=O)(=O)NNc1ncc(cc1Cl)C(F)(F)F
75537 Cc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N
75538 Clc1ccc2Sc3ccccc3CC(N3CCNCC3)c2c1
75539 CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
75540 COc1cccc(CN=Nc2snc(SC)c2C#N)c1O |w:8.7|
75541 Cc1cc(c(C)n1-c1ccccc1)-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1
75542 COC(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1)c1ccccc1
75543 COc1ccc(cc1)C1SCCN1C(=S)Nc1cccc(Cl)c1
75544 Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(C1=O)c1ccc(Cl)cc1Cl
75545 CC(C(=O)Nc1ccc2OCOc2c1)c1ccc(cc1)[N+]([O-])=O
75546 Brc1ccc(s1)C(=O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
75547 COc1ccc(CCNCC(O)Cn2c3ccccc3c3ccccc23)cc1OC
75548 CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(C)cc2)c1C
75549 COc1ccc(CNc2ncnc3c4ccccc4[nH]c23)cc1
75550 Cc1ccc(NS(=O)(=O)c2ccc(cc2)C(=O)NCC(N2CCCCC2)c2ccco2)cc1
75551 Oc1ccc(Cl)cc1CNCc1ccc(F)cc1
75552 CC(Oc1ccc(F)cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |t:25|
75553 Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1
75554 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O |c:11|
75555 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2C)cc1)Cc1ccccc1
75556 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C#N)cc1)Cc1ccccc1
75557 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1)Cc1ccccc1
75558 COc1ccc(CN(CCNC(=O)c2ccc(CNS(=O)(=O)Cc3ccccc3)cc2)C(C)C)cc1
75559 CC(C)N(CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1
75560 CC(C)CN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
75561 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccc(cc1)[N+]([O-])=O
75562 C[C@@H](N(C)CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1
75563 COc1ccc(CN(CCNC(=O)c2cccc(CNS(=O)(=O)c3ccc(C)cc3)c2)C(C)C)cc1
75564 Cc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ncc(Br)cc3n3cccc3c2=O)CC1
75565 Brc1cnc2n(CC(=O)NCCCN3CCN(CC3)c3ccccc3)c(=O)c3cccn3c2c1
75566 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
75567 CCCCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
75568 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1)Cc1ccccc1
75569 CCC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
75570 CCCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
75571 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)(C)C)cc1)Cc1ccccc1
75572 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1)Cc1ccccc1
75573 CC(C)Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
75574 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C2CCCCC2)cc1)Cc1ccccc1
75575 CCC(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
75576 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCN(Cc2ccccc2)C1
75577 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)CC1
75578 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
75579 CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(cc2)C(C)C)cc1)Cc1ccccc1
75580 CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
75581 CC(C)N(CCNC(=O)c1ccc2CCN(Cc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccccc1
75582 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccccc1
75583 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
75584 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
75585 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C1CCCC1
75586 Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCc2ccccc2C1
75587 COc1ccc(cc1)N1CCN(CCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
75588 COc1ccc(cc1)N1CCN(CCCCNC(=O)Cn2c3nccc(C)c3n3cccc3c2=O)CC1
75589 Cc1ccc(OCCOc2ccc(Br)cc2)c(n1)[N+]([O-])=O
75590 Cc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)c(n1)[N+]([O-])=O
75591 Cc1ccc(OCCCOc2ccc(C)nc2[N+]([O-])=O)c(n1)[N+]([O-])=O
75592 Cc1ccc(OCCOc2ccccc2C(F)(F)F)c(n1)[N+]([O-])=O
75593 Cc1ccc(OCCOc2ccccc2)c(n1)[N+]([O-])=O
75594 [O-][N+](=O)c1ncccc1OCCOc1ccc(Cl)cc1Cl
75595 Cc1ccc(OCCCOc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
75596 COC(=O)c1ncccc1OCCOc1ccc(Cl)cc1Cl
75597 COc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)c(Cl)c1
75598 Cc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)c(C)c1
75599 Cc1ccc(OCCOc2ccc(Oc3ccccc3)cc2)c(n1)[N+]([O-])=O
75600 Cc1ccc(OCCc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
75601 Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2Cl)c(n1)[N+]([O-])=O
75602 Clc1ccc(OCCOc2ccc(Br)nc2Br)c(Cl)c1
75603 CON1C(=O)\C(S\C1=N/C)=C\c1cc(C)n(Cc2c(F)cccc2F)c1C
75604 Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1
75605 COCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
75606 FCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1
75607 Cc1ccc(C#N)c(OCCOc2ccc(Cl)cc2Cl)n1
75608 CC(C)CCNc1ncnc2n(Cc3ccccc3Cl)nnc12
75609 OC1CN=C2Sc3ccccc3N2C1 |t:3|
75610 O=c1cc([nH]n1-c1nc2ccccc2[nH]1)-c1ccccc1
75611 CCC1CCCCN1C1Sc2ccc(cc2NC1=O)C(=O)OC
75612 CC(C)CCNC(=O)C1CCN(CC1)C(=O)N(C)C
75613 CCOc1cccc(c1O)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1
75614 Cc1nc(Nc2nc3CCCc3c(=O)[nH]2)nc2ccccc12
75615 CCCCCCCn1c2ccccc2n(CC(=O)c2ccco2)c1=N
75616 O=C(CSc1nnc[nH]1)NCCc1ccccc1
75617 Cc1ccc(O)c(c1)-c1cc([nH]n1)C(=O)NCc1ccc2OCOc2c1
75618 Clc1cccc(NC2=NC(=S)N(CC#N)C22CCCCC2)c1 |t:7|
75619 CCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1 |t:6|
75620 Cc1nc(NC(=O)CSc2nc3cc4OCOc4cc3cc2C)sc1C
75621 Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
75622 CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC
75623 CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccccc1
75624 Cc1ccc(O)c(C=NNC(=O)c2[nH]ncc2Br)c1 |w:8.8|
75625 CC(C)CCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(C)nn12
75626 CCOCCCNC(=O)CCC(=O)NNc1nc2ccccc2c2nc(nn12)-c1ccccc1
75627 Oc1ccc2ccccc2c1C=NNC(=O)c1[nH]ncc1Br |w:12.14|
75628 COc1ccc(NC(=S)NNC(=O)c2nnn(c2C)-c2ccccc2)cc1
75629 Fc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12
75630 CN(C)C=c1c(=C)[nH]n(-c2nc3ccccc3[nH]2)c1=O |w:3.2|
75631 Cc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1
75632 Cc1ccc(NC(=O)C2CC(=O)Nc3nc4ccccc4n23)c(C)c1
75633 CCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1
75634 COc1ccccc1C1=NN(C2=NN=C(N)Cc3ncnn23)C(O)(C1)C(F)(F)F |t:9,12,14|
75635 CN(CC(=O)Nc1ccccc1F)CC(=O)Nc1ccc(F)c(F)c1F
75636 [O-][N+](=O)c1cccc(\C=N\NC(=O)c2[nH+]c3ccccc3c(=O)[n-]2)c1
75637 O=C(NN=Cc1ccc2cccnc2c1)c1nc2ccccc2c(=O)[nH]1 |w:3.2|
75638 Oc1ccccc1C=NNC(=O)C(=O)NCCCN1CCOCC1 |w:8.9|
75639 CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1
75640 CCC(C)(C)C1CCc2n[nH]c(C(=O)NN=C(C)c3ccco3)c2C1 |w:15.14|
75641 Oc1ccccc1C=NNC(=O)c1cc(n[nH]1)-c1ccc2OCOc2c1 |w:8.9|
75642 O=S(=O)(N1CCCC1c1cccs1)c1ccccc1
75643 CC(=O)CC(=O)c1c(C)[nH]n(-c2nc(cs2)-c2cccc(c2)C(F)(F)F)c1=O
75644 CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
75645 [H][C@]12C(O)C[C@](C)(CC1(C)C)CC21C[C@H](O)CC(C)(C)C1 |TLB:13:12:8.7:2.4,THB:3:2:12.11:8.7,20:12:8.7:2.4|
75646 CCn1cc(CN2CCN(C)C(CCO)C2)c2ccccc12
75647 CC(C)Oc1ccc(cc1)C(=O)Nc1nnc[nH]1
75648 CCOc1cc(C=NNC(=O)C(=O)NN=Cc2ccc(O)c(OCC)c2)ccc1O |w:7.7,14.13|
75649 Cc1ccc(O)c(c1)N=CCC(=O)c1ccc(F)cc1 |w:8.8|
75650 COc1cc(C=NNS(=O)(=O)c2ccccc2)cc(OC)c1OC
75651 CC(C)N1CC(CC1=O)C(=O)Nc1ccc(NC(C)=O)cc1
75652 NC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2CCCc12
75653 COc1ccc(Cc2cc(O)n(c2O)-c2ccc(C)cc2)cc1
75654 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
75655 COc1cc(NC(=O)NCC2CCN(Cc3ccccc3C)CC2)cc(OC)c1OC
75656 ONc1nc(CC(=O)c2ccccc2)c(=O)[nH]c1N=O
75657 COc1cc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1OC
75658 OC(C(O)c1nc2ccc(F)cc2[nH]1)c1nc2ccc(F)cc2[nH]1
75659 COc1ccc(O)c(C=NNC(=S)NCCc2ccccc2)c1 |w:9.9|
75660 Cn1c(nc2ccccc12)C(C#N)C(=O)c1ccc(Br)s1
75661 Cc1nc2c3ccccc3nc(NNC(=O)CCC(=O)NCCN3CCN(CC3)c3ccccc3)n2n1
75662 COc1ccccc1CCNC(=O)C1CCN(CC1)c1nnc(C)c2c(C)n(nc12)-c1ccc(C)cc1
75663 Cc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
75664 COc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCCc1ccccc1
75665 CCOc1ccccc1CN1CCC(CC1)n1nccc1NC(=O)CCc1ccccc1
75666 Fc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
75667 CN1CCN(CCNC(=O)Cn2c3cc(F)ccc3n3cccc3c2=O)CC1
75668 O=C(CCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1
75669 Cc1ccc(o1)-c1cc([nH]n1)C(=O)NN=Cc1ccccc1O |w:14.15|
75670 COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
75671 COc1ccc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)cc1C
75672 Cc1cc([nH]n1)C(=O)NC1CC(C)(C)Cc2c1cnn2-c1ccccc1
75673 COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2cccc(OC)c2)c1
75674 CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
75675 Clc1ccc(CC(=O)NNC(=S)NCC2CCCO2)cc1Cl
75676 CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
75677 Brc1ccccc1C(=O)NNC(=S)NCc1ccco1
75678 Brc1ccc(OCC(=O)NCCCn2ccnc2)cc1
75679 COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NNC(=O)c1ccccc1O
75680 Cc1ccc(Cl)cc1NC(=O)C(=O)NN=Cc1ccc2OCOc2c1
75681 Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl
75682 Fc1cccc(Cl)c1C=NNC(=O)c1cc(n[nH]1)C1CC1 |w:9.10|
75683 CC(NC(=S)NC1CCC(CC1)C(C)(C)C)c1ccccc1 |(3.08,-2.31,;4.41,-3.08,;5.75,-2.31,;5.75,-.77,;4.41,,;7.08,,;7.08,1.54,;5.75,2.31,;5.75,3.85,;7.08,4.62,;8.41,3.85,;8.41,2.31,;7.08,6.16,;7.08,7.7,;8.62,6.16,;5.54,6.16,;4.41,-4.62,;3.08,-5.39,;3.08,-6.93,;4.41,-7.7,;5.75,-6.93,;5.75,-5.39,)|
75684 Cc1ccsc1C(=O)NNC(=S)NC1CCCCC1
75685 Brc1c(OCC(=O)N2CCCCC2)ccc2ccccc12
75686 COc1cc(CN2CCC(CC2)n2nccc2NC(=O)CCCc2ccccc2)ccc1F
75687 CC(=NNC(=O)c1ccc(Cn2cccn2)o1)c1cccc(NC(=O)c2ccncc2)c1 |w:2.2|
75688 Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1
75689 O=C(NNC(=S)NC(=O)c1ccccc1)c1cccnc1
75690 CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)cc1
75691 Fc1ccc(cc1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
75692 Cc1cccc(c1)-n1ncc2c(NNC(=O)c3ccco3)ncnc12
75693 CCc1nnc(NC(=O)CSc2nnc(C)c(=O)n2N)s1
75694 CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
75695 Cc1cccc(OCC(=O)NNC(=O)c2ccc3nc[nH]c3c2)c1
75696 CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1
75697 Cc1ccc(cc1C)S(=O)(=O)NCCC(=O)NNC(=O)COc1ccc(Br)cc1
75698 CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2[nH]1
75699 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
75700 CC(=O)Nc1cccc(c1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
75701 Cc1cccc(NS(=O)(=O)c2cccc(c2)C(=O)NNC(=O)c2ccccc2O)c1
75702 C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccon1)c1ccccc1
75703 CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)Nc1ccon1
75704 O=C(NCc1ccccc1)c1[nH]cnc1C(=O)Nc1ccon1
75705 CN(Cc1ccccc1)C(=O)c1nc[nH]c1C(=O)Nc1nccs1
75706 COc1cc(OC)cc(c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12
75707 COC(=O)N1N(C(=O)OC)[C@@](C2CCCC2)(C1=O)c1ccccc1
75708 Cc1cc(C)n(n1)-c1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
75709 S=c1[nH]nc(-c2ccncc2)n1N=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:12.13|
75710 CCOc1ccc(cc1)-c1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccc(Cl)cc1
75711 CC(NC(=O)Nc1ccc(Cl)c(Cl)c1)C(N1CCOCC1)c1ccccc1
75712 CCSC1=N\C(=C/C=C2\Oc3ccccc3N2CC)C(=O)S1 |t:3|
75713 CCN(CC)c1ccc2cc(C(N)=O)c(=NNC(=O)c3ccncc3)oc2c1
75714 CC(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(N1CCOCC1)c1ccccc1
75715 On1c(nc2ccc(Br)cc2c1=O)-c1cccc(Cl)c1
75716 CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)N(C)Cc1ccccc1
75717 CCc1ccc(cc1)N=Nc1ccc(O)c2nc[nH]c12 |w:9.10|
75718 COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc12
75719 CCOP1(=S)N(C)C(=Nc2c1c(C)nn2CCC#N)c1ccc(F)cc1 |c:7|
75720 COc1ccc(NC(=O)CCN2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2OC)cc1
75721 O=c1[nH]c(nc(-c2ccccc2)c1C#N)N1CCOCC1
75722 Fc1ccc(NC(=O)CN2CCN(CC2)C(=O)N2CCCCC2)cc1
75723 COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3OCOc3c2)c1
75724 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)n1nc(C)cc1C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
75725 C(N1CCC2(CC1)OCCO2)c1nnc(o1)-c1ccccc1
75726 CCn1cnc2sc(C(O)=O)c(C)c2c1=O
75727 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1nnc2SC(C)Cn12 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,5:3:11:6.9.8,THB:5:6:11:3.12.2|
75728 CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N
75729 FC(F)(F)c1cc(nc(SCC(=O)NCc2ccccc2)n1)-c1cccs1
75730 Cc1ccccc1CNC(=O)c1ccccc1N
75731 COc1ccccc1C1CN(N=C1c1cccs1)c1ccccc1 |c:12|
75732 O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1
75733 Brc1ccc(cc1)-n1cnc2scc(-c3cccs3)c2c1=O
75734 COC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1C
75735 Cc1cccc(SCc2noc(C(=O)NCC3CCCO3)c2C(O)=O)c1
75736 CCOC(=O)c1c(NC(=O)Cn2cc(cn2)[N+]([O-])=O)sc2CCCc12
75737 [O-][N+](=O)c1ccc(cc1N1CCCCC1)N1CCN(CC1)C(=O)COc1ccccc1Cl
75738 CCCn1c(\C=C\c2ccccc2)nc2ccccc12
75739 Oc1ccc(cc1)N=Nc1c(O)ccc2ccccc12 |w:8.9|
75740 Cc1ccc(NC(=O)c2ccncc2)cc1[N+]([O-])=O
75741 C\C(C=NNC(=O)CCn1nnc2ccccc12)=C/c1ccccc1
75742 CC(C)(C)N=NCc1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12 |w:4.3|
75743 CCOc1cccc(OCCOCCOc2ccccc2C(C)=O)c1
75744 CCN1\C(Sc2cc(C)ccc12)=C/c1ccc2ccccc2[n+]1CC
75745 [#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8]
75746 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc(cc1)C(=O)Nc1cc(C)on1 |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
75747 Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2F)c(=O)c1CCO
75748 OC(=O)COn1c(nc2ccc(Cl)cc12)-c1ccc(Cl)cc1
75749 Cc1[nH]n(-c2nc(cc(=O)[nH]2)-c2ccccc2)c(=O)c1CCO
75750 CC(=O)CCc1ccc(Oc2nc(nc3ccccc23)-c2cccnc2)cc1
75751 Cn1nnnc1N=NC(=NNc1ccccc1)c1ccccc1 |w:9.10,7.8|
75752 COc1cc(\C=C2/SC(=S)N(N(C)c3ccccc3)C2=O)ccc1O
75753 Cc1ccc2c(c1)nnc1nnc(SCC(O)=O)n21
75754 Cc1ccc(NCc2ccc(s2)[N+]([O-])=O)cc1
75755 NC(=O)c1ccc(NC(=O)C2CCCC2)cc1
75756 Oc1ccccc1\C=C\C(=O)c1ccco1
75757 CCOc1ccc(NC(=O)CSc2nncn2C)cc1
75758 CC(N=Nc1ccccc1[N+]([O-])=O)c1ccc(cc1)[N+]([O-])=O |w:3.3|
75759 CCOC1=CC(=Cc2c(C)[nH]oc2=O)C=C(Br)C1=O |w:6.6,t:3,15|
75760 CN(C)c1ccc(cc1)\N=N\c1ccccc1Br
75761 OC(=O)c1ccccc1C(=O)Nc1cc(n[nH]1)-c1ccccc1
75762 COc1cc(cc(OC)c1OC)C(=O)NCC(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
75763 Clc1ccc(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)NCCCN2CCOCC2)cc1
75764 COc1cccc(CNS(=O)(=O)c2ccc(cc2)-c2cnc(o2)C2CC2)c1
75765 CC1CCCN(C1)S(=O)(=O)c1ccc2OCCN(C(C)=O)c2c1
75766 Cc1cccn2c1nc1n(C3CCCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1
75767 COc1cc(\C=C\C(=O)OCC(=O)NC(=O)NC2CCCCC2)ccc1OC(F)F
75768 COc1cc(Cl)ccc1OCc1cc(no1)C(=O)N1CCCCCCC1
75769 CCCCOc1cccc(c1)C1C(C(=O)c2ccc3OCCOc3c2)C(=O)C(=O)N1CCN1CCOCC1
75770 O=C(NC1CCCCCC1)c1ccc(cc1)-n1cnnc1
75771 CN1CCN(CC1)C(=O)N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1
75772 Oc1cc(O)c2c(c1)cc(oc2=O)-c1ccc(O)c(O)c1
75773 [O-][N+](=O)c1ccc(cc1)N(CCCN(CC#C)C(=O)C(F)(F)F)C(=O)CCl
75774 NC(=O)c1cc(C2CC2)c(CN2[C@H]3CC[C@@H]2C[C@@H](C3)Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1F |r,THB:10:11:18.17.16:13.14|
75775 CC1(C)CN(Cc2cc(F)c(cc2C2CC2)C(N)=O)CCC1Oc1cc(c(Cl)cn1)C(F)(F)F
75777 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-n2cnc3ccccc3c2=O)-[#6](=O)-[#6]1
75778 CCCOP(=O)(C(Nc1ccccc1)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
75780 [#6]-c1cccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)n1
75781 CCOC(=O)N1CCN(CC1)c1ncnc2c3cc(OC)ccc3[nH]c12
75782 Nc1c2CCCCCc2nc2ccn(-c3ccccc3)c(=O)c12
75783 Cc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccco1
75784 Clc1cccc(c1)-c1nnc(SCc2nc3ccccc3[nH]2)n1Cc1ccco1
75785 O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(c1)-c1nnc2CCCCCn12
75786 COC(=O)C1=C(C)N=c2sc(=Cc3ccoc3)c(=O)n2C1c1ccccc1 |c:4,t:7|
75787 CC1Cc2ccccc2N1C(=O)c1ccc(CNc2c(N3CCC(C)CC3)c(=O)c2=O)cc1
75788 CCOC(=O)C1C(C(C#N)=C(NC1=O)SCC(N)=O)c1ccccc1OCC |c:9|
75789 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2cc(C)cc(C)c2)c(Cl)c1=O |TLB:16:13:11:3.5.2,15:13:11:3.5.2,THB:2:3:12:1.11.14,15:3:11:13.12.14|
75790 COc1cc(C=Nn2c(O)csc2=S)ccc1O |w:6.6|
75791 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2ccc(C)c(C)c2)c(Cl)c1=O |TLB:16:13:11:3.5.2,15:13:11:3.5.2,THB:2:3:12:1.11.14,15:3:11:13.12.14|
75792 CC1C=CCc2c(O)n(c(O)c12)-c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C |c:2|
75793 COc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
75794 Cc1c(-n2cc(cc(C#N)c2=O)C(=O)c2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C |(4.37,-1.92,;5.84,-2.39,;7.08,-1.49,;7.08,.05,;8.41,.82,;8.41,2.36,;7.08,3.13,;5.75,2.36,;4.41,3.13,;3.08,3.9,;5.75,.82,;4.41,.05,;9.75,3.13,;11.08,2.36,;9.75,4.67,;8.41,5.44,;8.41,6.98,;7.08,7.75,;9.75,7.75,;11.08,6.98,;11.08,5.44,;12.42,4.67,;8.33,-2.39,;9.79,-1.92,;7.85,-3.86,;8.76,-5.1,;8.13,-6.51,;9.04,-7.75,;10.57,-7.59,;11.19,-6.19,;10.29,-4.94,;6.31,-3.86,;5.41,-5.1,)|
75795 CN(C)C=Cc1oc(=O)c(NC(=O)c2ccccc2)cc1C(C)=O |w:4.4|
75796 Fc1ccc(NC=C2SC(=O)c3ccccc23)cc1 |w:6.5|
75797 CC(=O)Nc1cc(N=Cc2ccc(O)cc2O)c(Cl)cc1Cl |w:7.6|
75798 Fc1ccc(cc1)C(=O)N1C(=S)NC(=O)\C1=C/c1ccccc1
75799 [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(\[#6]=[#6](\c2nnnn2-c2ccccc2)-c2nnnn2-c2ccccc2)cc1
75800 Cc1c(NC(=O)C(=C\c2ccc(o2)-c2ccc(Cl)cc2)\C#N)c(=O)n(-c2ccccc2)n1C
75801 [H]C12CCC([H])(C1)C1C2C(=O)N(C1=O)c1ccc(Cl)c(c1)C(=O)N1CCN(CC1)c1ccccc1OC |TLB:9:8:6:2.3,THB:12:7:6:2.3|
75802 COc1ccc(cc1)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1
75803 O=C1NC(=O)C(=Cc2ccc(o2)N2CCCCC2)C(=O)N1c1ccc2OCOc2c1 |w:6.6|
75804 COc1ccc(NC2=NC(=O)C(S2)=Cc2ccc(O)c(OC)c2)cc1 |w:13.14,t:7|
75805 CCN(CC)c1ccc(\C=C2/CCC(C=NNC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1 |c:27|
75806 Oc1c(C=CC=Nc2ccccc2)c(=O)[nH]c(=O)n1-c1ccccc1 |w:6.6,3.2|
75807 CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
75808 Cc1cccc(c1)N=Cc1[nH]c2ccc(Br)c(Cl)c2c1O |w:7.7|
75809 Cc1cccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)c1
75810 CCOc1ccccc1-n1c(SCC(=O)N2CCCc3ccccc23)nnc1-c1cccnc1 |(12.91,-1.97,;11.76,-.94,;10.3,-1.42,;9.98,-2.93,;11.12,-3.96,;10.8,-5.46,;9.34,-5.94,;8.2,-4.91,;8.52,-3.4,;7.37,-2.37,;7.53,-.84,;8.87,-.07,;8.87,1.47,;10.2,2.24,;11.53,1.47,;10.2,3.78,;8.87,4.55,;8.87,6.09,;10.2,6.86,;11.53,6.09,;12.91,6.91,;14.3,6.12,;14.3,4.52,;12.91,3.73,;11.53,4.55,;6.12,-.21,;5.09,-1.36,;5.86,-2.69,;5.24,-4.1,;3.71,-4.26,;3.08,-5.67,;3.99,-6.91,;5.52,-6.75,;6.14,-5.35,)|
75811 Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C
75812 CCN(CC)C(=O)c1ccc(\C=C\c2c[nH]c3ccccc23)[n+](C)c1
75813 O=C1NC(=O)C(=Cc2ccc(o2)N2CCCC2)C(=O)N1c1ccc2OCOc2c1 |w:6.6|
75814 Cc1ccc(C=NNC(=O)C(NC(=O)c2ccccc2)C=Nc2nccc(C)n2)cc1 |w:21.22,6.6|
75815 CCCN1C(=S)N\C(=C/c2ccc(cc2)N2CCOCC2)C1=O
75816 Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)c1ccco1
75817 COc1cc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)ccc1O
75818 O=C(NCC1CCCO1)C(=C\c1ccc(o1)N1CCOCC1)\C#N
75819 CCN1C(=S)O\C(=C/C=C2/CCCN2C)C1=O
75820 [#6]-[#6]-[#7]-1-[#6](-[#16]-c2ccccc-12)=[#6]\[#6]=[#6](\[#6](-[#6])=O)-[#6](-[#6])=O |w:11.13|
75821 CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCC(=CC2)c2ccccc2)c2ccccc12 |c:18|
75822 COc1ccc(cc1)N=Cc1oc2ccc3ccccc3c2c1O |w:8.8|
75823 Cc1cccc(c1)C(=O)Nc1ccnc(n1)-c1cccnc1
75824 Cc1cccc(c1)C(=O)Nc1ccnc(n1)-c1ccncc1
75825 CCN1\C(Sc2ccccc12)=C\c1cc[n+](CCCS([O-])(=O)=O)c2ccccc12
75826 COc1ccc2c(Cl)c(sc2c1)C(=O)NNC1=CC(=O)CCC1 |t:18|
75827 CC(=O)c1cccc(OCC(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1
75828 CC(C)(C)NC(=O)NC(=O)CN1CCN(CC1)c1cccc(Cl)c1
75829 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1c(C)c(nc2ccccc12)-c1cccc(Cl)c1
75830 [H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(NCc2ccccc2Cl)c(Cl)c1=O |THB:2:3:12:1.11.14,14:13:5:1.11.2,14:1:5:13.12.15|
75831 CC(=O)N(C(C)=O)c1nc(cn1N=Cc1ccccc1)-c1ccccc1 |w:12.12|
75832 Cn1c2ccccc2c2cc(\C=C(/NC(=O)c3ccccc3)C(=O)NCC(O)=O)ccc12
75833 Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(o2)N2CCOCC2)C1=O |w:14.15|
75834 Cc1cc(C=C2SC(S)=NC2=O)cc(C)c1O |w:4.3,c:8|
75835 CCOC(=O)C(=CC1=CC(=CN(C)C)C(=O)O1)C(C)=O |w:10.10,6.6,t:7|
75836 Cc1ccc(-c2cc([nH]n2)C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c(O)c1C
75837 Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)C1CCC1
75838 CC(C)(C)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
75839 CCOc1cc(Br)cc(C=C2SC(Nc3ccccc3)=NC2=O)c1O |w:9.8,c:20|
75840 CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1 |c:10|
75841 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(Oc4ccccc4)cc3)c(c2)C(=O)NCc2ccccc2)OC1(C)C
75842 CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNC(C)(C)C)cc12
75843 CCOC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
75844 Oc1ccc(\C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1O
75845 Brc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1cccnc1
75846 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C |c:5,TLB:12:7:2:6.5,THB:9:8:2:6.5|
75847 CC(Oc1ccc2c3CCCCc3c(=O)oc2c1C)C(=O)NCc1ccncc1
75848 Cc1c(CCC(=O)NCCCn2ccnc2)c(=O)oc2cc3oc4CCCCc4c3cc12
75849 CC(Oc1ccc2c3CCCCc3c(=O)oc2c1)C(=O)NCc1ccncc1
75850 CCCCCN(C(=O)CCC(=O)OCC(=O)c1ccc(CCC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
75851 CC(OC(=O)C(=C\c1ccc(cc1)N(C)C)\C#N)C(=O)N(C)c1ccccc1
75852 CCc1sc(cc1C)C(=O)Nc1cccc(c1)-n1cnnn1
75853 Clc1cccc(CSc2ccc(cn2)S(=O)(=O)N2CCCC2)c1
75854 COc1cccc(NC(=O)COC(=O)\C=C\c2c(C)nn(c2C)-c2ccccc2)c1
75855 CC1CCN(CC1)c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CC1
75856 [O-][n+]1ccc(cc1)C(=O)OCC(=O)N(CC=C)c1nc(cs1)-c1ccccc1
75857 COc1cc(\C=C2/SC(=S)N(NC(C)=O)C2=O)ccc1OC(=O)c1ccco1
75858 COc1ccc(cc1)-c1n[nH]cc1C=NNC(=S)NC(C)(C)C |w:14.16|
75859 COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccccc1 |w:10.11|
75860 COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1 |w:10.11|
75861 COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1 |w:10.11|
75863 COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(F)cc1F |w:10.11|
75864 COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccc(F)cc1F |w:10.11|
75866 COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(F)cc1F |w:10.11|
75867 CNC(=S)NN=Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)OC |w:5.4|
75868 COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(Cl)cc1 |w:10.11|
75869 COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(Cl)cc1 |w:10.11|
75870 COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccccc1 |w:10.11|
75871 NC(=S)NN=Cc1c[nH]nc1-c1ccccc1 |w:4.3|
75872 Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccccc2)c1=O
75873 COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OC
75874 COc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1
75875 CCOc1ccc(CCOc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC
75876 Cc1ccc(cc1)-n1ncc(Cl)c(OC2CCN(CC2)C(=O)OC(C)(C)C)c1=O
75877 COc1ccc(Oc2c(Br)cnn(-c3ccccc3)c2=O)cc1
75878 CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
75879 CCOc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Cl)cc1
75880 Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
75881 Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2F)c1=O
75882 Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(F)cc2C)c1=O
75883 Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(cc2)C(F)(F)F)c1=O
75884 Cc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
75885 COc1cc(F)ccc1Oc1c(Cl)cnn(-c2ccc(C)cc2)c1=O
75886 CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1
75887 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O
75888 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(N)cc2)c1=O
75889 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(Cl)cc2)c1=O
75890 COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)C2CC2)cc1
75891 COc1ccc(Oc2c(Br)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75892 COc1ccc(Oc2c(cnn(-c3ccc(cc3)C(C)C)c2=O)N2CCCCC2)cc1
75893 Oc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1
75894 Oc1ccc(Oc2c(Cl)cnn(-c3ccc(F)cc3)c2=O)cc1
75895 COc1ccc(Oc2c(Cl)cnn(-c3ccc(I)cc3)c2=O)cc1
75896 CCc1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
75897 COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C3CC3)c2=O)cc1
75898 COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)(C)C)c2=O)cc1
75899 CCC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
75900 COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C(C)C)c2=O)cc1
75901 COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1
75902 CCOc1ccc(Oc2c(Br)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75903 COC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
75904 COc1ccc(Oc2c(Cl)cnn(-c3cccc4CCCCc34)c2=O)cc1
75905 CCc1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
75906 COc1ccc(Oc2c(C)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75907 COc1ccc(Oc2c(CO)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75908 COc1ccc(Oc2c(CN=O)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75909 COc1ccc(Oc2c(cnn(-c3ccc(cc3)C(C)C)c2=O)C#N)cc1
75910 COC(=O)c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
75911 COc1ccc(Oc2c(C=C)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75912 COc1ccc(Oc2c(C=O)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75913 COC(=O)\C=C\c1cnn(-c2ccc(cc2)C(C)C)c(=O)c1Oc1ccc(OC)cc1
75914 CC(C)c1ccc(cc1)-n1ncc(Cl)c(NCc2ccccc2)c1=O
75915 COc1ccc(Oc2c(Cl)cnn(-c3ccc4CCCCc4c3)c2=O)cc1
75916 COc1ccc(Oc2c(Cl)cnn(Cc3ccc(C)cc3)c2=O)cc1
75917 COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3)c2=O)cc1
75918 COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)c(C)c3)c2=O)cc1
75919 COc1ccc(Oc2c(Cl)cnn(-c3cc(C)ccc3C)c2=O)cc1
75920 COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3C)c2=O)cc1
75921 CCOC(=O)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
75922 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccc(Cl)c(Cl)c1
75923 COc1ccc(Oc2c(Cl)cnn(-c3cccc4ccccc34)c2=O)cc1
75924 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(Cl)c(Cl)c2)c1=O
75925 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(OC(F)(F)F)cc2)c1=O
75926 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2cccc(c2)N(C)C)c1=O
75927 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(NC(C)=O)cc2)c1=O
75928 COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1
75929 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccccc1
75930 Cc1ccc(CN2CCCCC2C(=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
75931 Cc1ccccc1CN1CCCCC1C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
75932 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccc2ccccc2c1
75933 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1Cl
75934 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1c(F)cccc1Cl
75935 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1
75936 CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(COC(C)=O)cc2)c1=O
75937 COc1cc(OC)cc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)C)c2=O)c1
75938 COc1ccc(Oc2c(Cl)cnn(-c3ccc(cc3)C(C)C)c2=O)cc1
75939 COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)-c2ccccc2)cc1
75940 COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)-c2ccco2)cc1
75941 COc1ccc(Oc2c(cnn(-c3ccc(C)cc3)c2=O)-c2cccs2)cc1
75942 COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C(F)(F)F)c2=O)cc1
75943 COc1ccc(Oc2c(Cl)cnn(-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c2=O)cc1
75944 CCOC(=O)c1cccc(c1)-n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
75945 COc1ccc(Oc2c(Cl)cnn(-c3cccc(c3)C#N)c2=O)cc1
75946 COc1ccc(Oc2c(Cl)cnn(-c3cc(Cl)cc(Cl)c3)c2=O)cc1
75947 COc1ccc(Oc2c(Cl)cnn(-c3cccc(OC)c3)c2=O)cc1
75948 [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1ccc(Cl)cc1
75949 Cc1cccc(CN2CCCCC2C(=O)N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c1
75950 COc1nn(-c2cccc(C)c2)c(=O)c(Cl)c1Cl
75951 Cc1ccc(cc1)-n1ccc(Cl)c(Cl)c1=O
75952 CCOc1ccc(COc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1OCC
75953 CCOc1ccc(CCOc2c(Cl)cnn(-c3ccccc3)c2=O)cc1OCC
75954 COc1ccc(Oc2c(C)cnn(-c3ccccc3)c2=O)cc1
75955 CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCc4ccccc34)n12
75956 Cc1c(oc2ccccc12)C(=O)Nc1ccc(cc1)-n1cnnn1
75957 COc1ccc(cc1)-c1oc2ncn3nc(Cc4ccccc4)nc3c2c1-c1ccc(OC)cc1
75958 COc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccc(F)cc1
75959 COc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1
75960 O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1
75961 COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)on1
75962 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCCCN(CC)c1cccc(C)c1
75963 CCOc1ccc(cc1Br)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1
75964 Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1
75965 Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
75966 O=C(Nc1nc(cs1)-c1nc2ccccc2s1)c1ccco1
75967 CS(=O)(=O)N(CC(=O)N1CCC(CC1)C(N)=O)c1ccc(Oc2ccccc2)cc1
75968 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCc1cccs1
75969 Cn1nc(-c2ccc(cc2)C(=O)Nc2cccc(Cl)c2)c2ccccc2c1=O
75970 Cc1cc(NC(=O)c2sc3cc(C)ccc3c2Cl)no1
75971 Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1
75972 COc1ccc(cc1OC)C(=O)NCc1ccc(cc1)-c1nc2ccccc2s1
75973 COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1
75974 O=C(CSc1nc(nc2ccccc12)-c1ccccc1)Nc1nccs1
75975 Clc1ccc(cc1)C(=O)Nc1ccnc(n1)-c1cccnc1
75976 COc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(OC)c(CSc2ccccn2)c1
75977 CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
75978 Cc1c(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)cccc1-c1nc2ncccc2o1
75979 Cc1ccc(cc1)-c1cc(C(=O)NCc2cnn(C)c2)c2cc(Br)ccc2n1
75980 CC(=O)c1ccc(NC(=O)CSc2ccc(nn2)-c2ccc3OCOc3c2)cc1
75981 O=C(CSc1ccc(nn1)-c1cccs1)N1CCCCC1
75982 O=C(CSc1ccc(nn1)-c1cccs1)N1CCCCCC1
75983 CCOc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1
75984 CCn1c(n[nH]c1=S)-c1csc2CCCCc12
75985 Cc1cc(C)c2nc(SCC(=O)NCCC3=CCCCC3)cc(C)c2c1 |t:15|
75986 Cc1c(oc2cc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(N)(=O)=O
75987 CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(F)cc1
75988 CC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2)nc1C
75989 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc[nH]3)cc2)n1
75990 O=C(Nc1ccc2oc(nc2c1)-c1cccnc1)c1ccc2OCCOc2c1
75991 Oc1cc(=O)c2sc3nc(c4CCCCCc4c3c2[nH]1)C(F)(F)F
75992 Clc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc2cccnc2s1
75993 Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1ccc2nncn2n1
75994 O=C(CSc1ccc(nn1)-c1cccs1)c1cccs1
75995 COc1ccc(cc1OC)-c1ccc(SCC(=O)Nc2nccs2)nn1
75996 FC(F)(F)c1cnc(c(Cl)c1)-n1cccc1C(=O)NCc1ccccn1
75997 CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O
75998 CN1CCSc2ccc(cc12)C(=O)Nc1ccc(Cl)cc1
75999 Cc1sc2ncnc(SCC(=O)NC(=O)c3cccn3C)c2c1C
76000 COc1ccc(cc1)-n1cc(O)c(c1N)-c1nc(cs1)-c1ccccc1
76001 COc1cccc(c1)-c1csc2nnc(SCC(=O)c3ccc(NC(C)=O)cc3)n12
76002 Clc1ccc(NC(=O)c2ccc(s2)-c2ccccn2)cc1
76003 Cc1ccc2oc(=O)cc(CN3CCCCC3)c2c1
76004 CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
76005 FC(F)(F)CNC(=O)CN1C(=O)NC2(CCCc3ccccc23)C1=O
76006 CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1
76007 CC(=O)Nc1cccc(Oc2nc(nc3ccccc23)C(F)(F)F)c1
76008 Cc1ccsc1C(=O)Nc1nccs1
76009 COc1ccc(cc1OC)-n1nc(C(=O)NCC(=O)NCc2ccc(F)cc2)c2ccccc2c1=O
76010 COc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(CC1)C(=O)NCc1ccccc1C
76011 COc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2cccs2)cn1
76012 COc1cc(NC(=O)CSc2nc(nc3ccccc23)C2CC2)cc(OC)c1
76013 CSc1cccc(NC(=O)c2cc(c[nH]2)S(=O)(=O)N2CCCCC2)c1
76014 Cc1c(Br)ccc(NC(=O)Cn2nc(ccc2=O)-c2cccs2)c1C
76015 COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(=O)ccc2c1
76016 Cc1cccc(OCc2nnc(SCC(=O)NC3CCCC3)n2C)c1
76017 CC(C)(C)NC(=O)CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
76018 O=C(Nc1cccc(c1)-n1cnnn1)c1cc2ccccc2o1
76019 Clc1cccc2c(cc(nc12)-c1ccccn1)C(=O)Nc1nccs1
76020 Cc1cc(=O)oc2cc(OCC(=O)NCCc3c[nH]c4ccc(F)cc34)ccc12
76021 Brc1ccc(o1)C(=O)Nc1ccc(cc1)-c1ccc(nn1)N1CCCCC1
76022 COc1ccc(nn1)-c1ccc(NC(=O)c2ccc(Br)o2)cc1
76023 CC(=O)Nc1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1
76024 CC(=O)c1sc(NC(=O)c2ccc(o2)-c2ccc(cc2)C(C)=O)nc1C
76025 Brc1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
76026 CN(C)CCc1[nH]c2ccc(C)cc2c1CN1CCOCC1
76027 COc1ccc(cc1)N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1
76028 Cc1nc2ccc(NC(=O)c3oc4ccc(F)cc4c3C)cc2s1
76029 NC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1
76030 O=C(CC#N)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
76031 CN(C)c1ccc(cc1)C#Cc1ccc2cc(CCO)oc(=O)c2c1
76032 Cc1nc(N2CCN(CC2)C(=O)C2CCCCC2)c2c3CCCCc3sc2n1
76033 Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1
76034 Cc1cccc(OCC(=O)N2CCN(CC2)c2nc(C)nc3sc4CCCCc4c23)c1
76035 CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccccc3)c21
76036 CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)C3CC3)c21
76037 Cc1nc(N2CCN(CC2)C(=O)c2cccs2)c2c3CCCCc3sc2n1
76038 Cc1nc(N2CCN(CC2)C(=O)COc2ccccc2C)c2c3CCCCc3sc2n1
76039 Cc1nc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c2c3CCCCc3sc2n1
76040 CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccc4n(C)c(C)nc4c3)c21
76041 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1cccnc1
76042 CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21
76043 CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
76044 CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
76045 COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
76046 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccco1
76047 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccccc1
76048 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCN1CCOCC1
76049 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCc1ccccc1
76050 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCCC1
76051 Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NC1CCCC1
76052 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
76053 CC(C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)c1ccc(C)cc1
76054 Fc1ccccc1CC(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
76055 O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CCCC1)c1ccccc1
76056 Fc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1
76057 O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
76058 COc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
76059 CCOc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1
76060 O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CC1)c1ccccc1
76061 Cc1nnc(-c2ccc(Cl)cc2)c2cn(nc12)-c1ccccc1
76062 Cc1nnc(-c2ccccc2)c2cn(nc12)-c1ccc(Cl)cc1
76063 Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccccc1
76064 Cc1nnc(-c2cccc3ccccc23)c2cn(nc12)-c1cccc(Br)c1
76065 COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(cc1)-c1ccccc1
76066 Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccccc1
76067 COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1
76068 Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccccc1
76069 COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(Cl)cc1
76070 Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(Cl)cc1
76071 Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
76072 COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1
76073 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccccc1
76074 CC(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
76075 Cc1ccc(c(C)c1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2n1
76076 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1cccs1
76077 Oc1ccc(-c2n[nH]c(c2-c2ccccc2)C(F)(F)F)c(O)c1
76078 CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
76079 Cc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2c1)-c1ccccn1
76080 Cc1[nH]nc(c1-c1ccc(Br)cc1)-c1ccc(O)cc1O
76081 CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
76082 CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1
76083 Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O
76084 COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCCN2CCOCC2)cc1O
76085 Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3)cc2)n1
76086 COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c2ccccc2n1
76087 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C
76088 COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1
76089 Cc1nc(N2CCN(CC2)C(=O)C2CCCO2)c2c3CCCCc3sc2n1
76090 CC(C)(C)c1ccc(cc1)-c1c(n[nH]c1-c1ccccc1)-c1nc2ccccc2[nH]1
76091 CC(C)C(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12
76092 CC(C)c1cc(ccc1O)C(C)(C)c1ccc(O)c(c1)C(C)C
76093 Oc1ccc(Cc2ccc(O)cc2)cc1
76094 Oc1ccc(Sc2ccc(O)cc2O)c(O)c1
76095 Oc1ccc(Oc2ccc(O)cc2)cc1
76096 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)\C=C\c1cccc(c1)[N+]([O-])=O
76097 CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1
76098 CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(CC)c3nnnn3Cc3ccccc3)cc2c1
76099 COc1ccc2[nH]c(=O)c(cc2c1)C(N1CCc2ccccc2C1)c1nnnn1CC1CCCO1
76100 CCOc1ccc2[nH]c(=O)c(CN(CCO)C(C(C)C)c3nnnn3C3CCCCC3)cc2c1
76101 CCC(N(CC1CCCO1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1Cc1ccccc1
76102 CCC(N(Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O)c1nnnn1CCOC
76103 CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12 |t:9,18|
76104 CCOc1cc2[nH]c(=S)n(CC3CCCN3CC)c(=O)c2cc1OCC
76105 CCC(C)NC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(F)cc3)C(=O)N12 |t:9,18|
76106 COC(=O)C1C(NC(=O)N=C1Cn1cnc2ccccc12)c1cc(C)ccc1C |c:9|
76107 CCCSc1nc(O)c(CC)c(=O)n1C(C)CC
76108 COc1ccccc1-n1c(SC)nc(O)cc1=O |(3.08,-2.31,;4.41,-1.54,;5.75,-2.31,;5.75,-3.85,;7.08,-4.62,;8.41,-3.85,;8.41,-2.31,;7.08,-1.54,;7.08,,;8.41,.77,;9.75,,;11.08,.77,;8.41,2.31,;7.08,3.08,;7.08,4.62,;5.75,2.31,;5.75,.77,;4.41,,)|
76109 CCCc1cc(no1)C(=O)Nc1sc2CCCCc2c1C(=O)OCC
76110 CCSc1nc(O)c(CC)c(=O)n1C(C)CC
76111 CCC(C)n1c(SCC=C)nc(O)c(CC)c1=O
76112 CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3cc(OC)c(OC)c(OC)c3)c(=O)oc2=CC1=O |c:13,34,t:6|
76113 COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(C(C)C)c3nnnn3Cc3ccccc3)cc2c1
76114 CCOc1cc2[nH]c(=S)n(CCC(=O)N3CCc4ccccc4C3)c(=O)c2cc1OCC
76115 CCOc1cc2[nH]c(=S)n(CCN3CCC(C)CC3)c(=O)c2cc1OCC
76116 CCOc1cc2[nH]c(=S)n(CCN3CCCCC3CC)c(=O)c2cc1OCC
76117 NC(=NOS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1 |w:2.2|
76118 [O-][N+](=O)c1ccc(COc2ccc3c4CCCCc4c(=O)oc3c2)cc1
76119 COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1ccncc1)oc1ccccc21
76120 COc1cc2c(cc1NC(=O)c1cc(nc3ccc(C)cc13)-c1cccnc1)oc1ccccc21
76121 COc1cc2c(cc1NC(=O)c1cccc(c1)[N+]([O-])=O)oc1ccccc21
76122 Cc1ccc(C=NNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1
76123 Cc1cc(C)c2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc2c1
76124 CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2[N+]([O-])=O)cc1
76125 CCCCC1=CC2=CC(=O)C(C)(OC(=O)C3CCCC3)C(=O)C2=CO1 |c:24,t:4,6|
76126 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1ccccc1 |c:20,t:4,6|
76127 COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CCCCC1 |c:27,t:7,9|
76128 COC\C=C\C1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1c1ccccc1 |c:31,t:5,7|
76129 CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1C1CCCCC1 |c:20,t:4,6|
76130 CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(N(C=C2C1=O)C1CCCC1)c1ccsc1 |c:15,18,t:13|
76131 Clc1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
76132 COc1ccc(CN=Nc2cc(C)nc3ccc(C)cc23)c(OC)c1 |w:8.8|
76133 COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|
76134 CCOc1cc2[nH]c(=S)n(CCCC(=O)NCc3ccccn3)c(=O)c2cc1OCC
76135 CCN(CC)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCC(C)CC1)-c1cccnc1
76136 CSc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
76137 COc1cc(NC(=S)NC(=O)CCc2ccccc2)cc(OC)c1
76138 O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)Nc1ccc(CN2CCCCC2)cc1
76139 CC1CCN(CC1)S(=O)(=O)c1ccc2nc(ccc2c1)N1CCN(CC1)c1ccccc1
76140 COc1cccc2sc3ccc(NCCC4CCCN4C)cc3c(=O)c12
76141 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
76142 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2cc(C)cc(C)c2s1
76143 COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
76144 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cccc2s1
76145 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Cl)cc2s1
76146 CC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2ccc(Br)cc2s1
76147 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(C)cccc2s1
76148 C=CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2c3ccccc3[nH]c2c1=O
76149 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1
76150 CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
76151 CC(C)(C)OC(=O)NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
76152 COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12
76153 COc1ccc(cc1)\N=C1/SC(CC(=O)N1CCc1ccc(OC)c(OC)c1)C(N)=O
76154 Cc1cc(C=C2SC(S)=NC2=O)c(C)[nH]1 |w:4.3,c:8|
76155 Nc1cc2nc3ccccc3oc2cc1=O
76156 Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(C)c1
76157 CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
76158 Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c(Cl)c1
76159 Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1F
76160 COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1Cl
76161 Cc1cc(C)c(cc1C)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
76162 [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccc(Br)o2)s1
76163 [H][C@@]12[C@@H](O)[C@@]3([H])[C@]4([H])[C@H](O)[C@@]([H])(C(=O)C5=C(O)c6c(O)cc(C)c(O)c6C(=O)[C@@]145)[C@]31C(=O)c3c(O)c(C)cc(O)c3C(O)=C1C2=O |wU:1.0,wD:2.2,8.8,6.6,4.4,28.28,29.34,10.10,c:14,48,TLB:9:8:4.29:28.14.12,30:29:6.28:2,26:28:2:29.43.44,41:43:6.28:2,THB:10:29:6.28:2,8:6:2:29.43.44,45:44:6.28:2,14:28:2:29.43.44,(10.29,-2.42,;9.31,-1.56,;9.97,-.18,;11.5,-.06,;9.1,1.08,;7.86,.67,;8.62,-.39,;9.63,.45,;7.08,-.39,;6.92,-1.92,;6.61,1.08,;5.36,1.48,;5.66,-.12,;4.14,.08,;6.26,-1.52,;5.33,-2.8,;3.8,-2.65,;5.98,-4.25,;5.15,-5.49,;3.62,-5.38,;5.79,-6.84,;7.28,-6.97,;7.92,-8.37,;8.16,-5.76,;9.69,-5.93,;7.56,-4.39,;8.47,-3.09,;9.74,-3.96,;7.78,-1.66,;7.85,1.98,;9.19,2.75,;10.52,1.98,;9.19,4.29,;10.59,5.07,;11.91,4.29,;10.6,6.67,;11.94,7.44,;9.21,7.48,;7.83,6.66,;6.49,7.42,;7.85,5.06,;6.52,4.29,;5.19,5.06,;6.52,2.75,;6.67,-.21,;5.38,-1.04,)|
76164 Cc1sc2nc(SCC(=O)Nc3cccc(c3)S(N)(=O)=O)[nH]c(=O)c2c1C
76165 CN(CCO)c1ccc(CN=Nc2ccc(cc2S(=O)(=O)Nc2ccccc2C(O)=O)[N+]([O-])=O)cc1 |w:11.11|
76166 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(C)c1)N2Cc1ccc(OC)cc1
76167 O=c1[nH]c2ccc(cc2o1)S(=O)(=O)N1CCCCC1
76168 Cc1cccnc1Nc1nc(cs1)-c1ccc(O)c(O)c1
76169 CCOc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
76170 Clc1ccc(NC(=O)NC2CCCCC2Cc2ccco2)cc1
76171 CCOc1cc(\C=C2/CCC\C(=C/c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O
76172 OC(=O)CC(N1C(=S)S\C(=C/c2ccc(o2)-c2nc3ccccc3s2)C1=O)C(O)=O
76173 [H]C12CCCC([H])(CC(C1)NC(=S)Nc1cc(C)cc(C)c1)N2Cc1cccs1
76174 COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1
76175 COc1cccc(c1)C(C)NC(=O)Nc1cccc(c1)C(F)(F)F
76176 Clc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1
76177 COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1
76178 CCOC(=O)c1ccc(N2CCN(CC2)c2ccccc2F)c(NC(=O)Nc2ccccc2)c1
76179 Oc1ccc(C(=O)NNC(=O)c2cc3cc(Br)ccc3oc2=O)c(O)c1
76180 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2sc3ccccc3c2Cl)o1
76181 Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
76182 Oc1c[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)ccc1=O |w:5.5|
76183 Cc1ccc(C)c(c1)S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
76184 NS(=O)(=O)c1ccc(cc1)N=Nc1c2[nH]c3CCCCc3c(=O)n2[nH]c1=O |w:11.12|
76185 [H]C12CCCC([H])(CC(C1)NC(=O)Nc1cccc(F)c1)N2Cc1ccc(C)cc1
76186 NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(ccc21)S(N)(=O)=O
76187 CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
76188 Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
76189 Clc1cc2sc(=O)oc2cc1OC(=O)NC1CCCCC1
76190 Oc1ccc(cc1-c1ccc(\C=C2/C(=O)NN(C2=O)c2cccc(Br)c2)o1)[N+]([O-])=O
76191 Cc1ccc(NC(=S)NCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
76192 CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C
76193 COC(=O)CC=NNC1=NC(=O)C(S1)=CC(O)=O |w:6.6,14.15,t:8|
76195 CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
76196 C[N+](C)(C)C(Cc1ccccc1)C([O-])=O
76197 COc1cc(ccc1O)C(=O)NN1C(=S)S\C(C1=O)=C1\C(=O)Nc2ccccc12
76198 [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2-[#6]-[#6]-c3cc(-[#8])c(-[#8])cc3-c2c1-[#8]
76199 CCOC(=O)C1=C(C)N=c2s\c(=C/c3cccc(c3O)[N+]([O-])=O)c(=O)n2C1c1ccc(OC)cc1OC |c:5,t:8|
76200 CC(C)(C)c1ccc(O)c(c1)\N=C\c1cc2OCOc2cc1[N+]([O-])=O
76201 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1O
76202 CCOC(=O)CN1C(=O)\C(=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c2ccccc12
76203 Oc1ccc(\C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1
76204 OC(=O)c1cc(O)ccc1NC(=O)CCN1C(=S)S\C(=C/c2ccco2)C1=O
76205 Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2nnc[nH]2)c1
76206 Oc1ccc(cc1O)C(=O)CN1CCN(CC1)c1ccccc1F
76207 Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nccs3)sc12
76208 Cc1nn(CC=C)cc1CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1cccc(Cl)c1
76209 Cc1c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)cnn1C
76210 CC(C)n1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
76211 Clc1cccc(c1)-c1cccc(NC(=O)C2CCN(CC2)C2CCC2)c1
76212 COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
76213 COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
76214 Cc1ccc(C)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
76215 O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(c1)C#N
76216 COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
76217 COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
76218 CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
76219 O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1
76220 COC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
76221 CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
76222 CCn1nc(C)c(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c1C
76223 CCCn1ncc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(F)c2)c1C
76224 Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
76225 FC(F)Oc1ccc(NC(=S)NC2CCSc3ccccc23)cc1
76226 OC(=O)c1cc(O)ccc1NC(=O)CCCN1C(=S)S\C(=C\c2ccco2)C1=O
76227 COCc1ccc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)o1
76228 S=C(NCc1ccccc1)NC1CCSc2ccccc12
76229 COc1cc(C=NNC(=O)c2cc(O)cc(O)c2)ccc1OC(=O)c1ccccc1
76230 Cc1cc(Cn2nc(cc2C(=O)NCc2cccc(c2)C(F)(F)F)-c2ccccc2)on1
76231 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
76232 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCSC)n1cc(CCO)nn1)n1cc(CCCCCN)nn1
76233 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1
76234 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
76235 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
76236 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1
76237 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1
76238 Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
76239 Cc1cc(O)c(Sc2nnc[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1
76240 CCCCCOc1ccc(cc1)C(=O)CCC(=O)NNC(=O)c1ccncc1
76241 Oc1ccc(cc1O)C(=O)CSc1nc2nn(-c3ccccc3)c(=O)c2c2CCCCCn12
76242 [O-][N+](=O)c1cnc(NC(=O)COC(=O)COc2ccccc2)s1
76243 CC(C)c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
76244 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCO)nn1
76245 C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
76246 CCc1cc(Cn2nc(cc2C(=O)NCc2cccc(Br)c2)-c2ccccc2)on1
76247 O[C@H]1Cc2c(O)cc3OC(C(C(=O)c4c(O)cc(O)cc4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)cc1
76248 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
76249 [O-][N+](=O)c1cnc(NC(=O)COC(=O)c2ccccc2)s1
76250 NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1
76251 O=C(NCCCCc1ccccc1)NC[C@@H]1CC[C@@H](Cc2ccc(cc2)-c2ccccc2)O1
76252 Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1[N+]([O-])=O
76253 C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccsc1
76254 C(CN1CCCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccsc1
76255 Clc1cc(\C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1
76256 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)-n2c(O)ccc2O)cc1Cl
76257 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)-n2c(O)ccc2O)cc1
76258 COC(=O)C1OC2(OC1C(=O)OC)c1ccccc1-c1ccccc21
76259 CC(C)NC(=O)c1c(O)c2ccccc2[nH]c1=O
76260 CC1CC(=O)c2cnc(Nc3cccc(c3)C(F)(F)F)nc2C1
76261 CCCCCC(=O)N1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccco2)CC1 |(3.08,-11.51,;4.41,-10.74,;4.41,-9.2,;5.75,-8.43,;5.75,-6.89,;7.08,-6.12,;8.41,-6.89,;7.08,-4.58,;8.41,-3.81,;8.41,-2.27,;7.08,-1.5,;7.08,.04,;8.41,.81,;8.41,2.35,;9.75,3.12,;9.75,4.66,;8.41,5.43,;7.08,4.66,;8.41,6.97,;9.75,7.74,;11.08,6.97,;11.08,5.43,;12.42,4.66,;10.52,9.07,;9.89,10.48,;11.04,11.51,;12.37,10.74,;12.05,9.23,;5.75,-2.27,;5.75,-3.81,)|
76262 Clc1cccc(NC(=O)c2cnn3cccnc23)c1
76263 Cn1c2ccccc2c(O)c(C(=O)Nc2ncccn2)c1=O
76264 Cc1nc(C)c(CC=C)c(N=NCc2ccccc2O)n1 |w:10.9|
76265 CCOC(=O)c1ccc2n(CC)c(COc3ccc(OC)cc3)nc2c1
76266 COc1cc(CNCCc2ccccc2)ccc1OCc1ccc(Cl)nc1
76267 COc1ccccc1CNC(=O)c1ccc(SC)cc1OC
76268 Cc1onc(c1C(=O)N1CCN=C(C=C1)C(F)(F)F)-c1ccccc1Cl |c:12,14|
76269 C(Oc1ccccc1)c1nnnn1-c1ccccc1
76270 Cc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccccc1 |c:14|
76271 Cc1cccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1
76272 CCCCCCCCn1c2CCCc2c(=N)c2ccccc12
76273 [O-][N+](=O)c1ccc[c-](C[NH+]=Nc2nc(NCc3ccccc3)nc(n2)N2CCOCC2)c1=O |w:10.10|
76274 On1c(nc2ccc(Cl)cc2c1=O)-c1ccc(cc1)[N+]([O-])=O
76275 CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc12
76276 Cc1cccc(c1)N1CCN(CC(O)COc2ccc(Cl)cc2)CC1
76277 Cc1ccc(cc1)C1=NOC(C)(C1)c1nnc(o1)-c1ccccc1 |t:8|
76278 Brc1ccccc1C(=O)NCCCCc1ccccc1
76279 CCCC1CCC(=CC1=O)c1ccc(OCC)cc1 |c:6|
76280 COc1ccc(NC(=O)C#Cc2ccccc2)cc1
76281 C1COC2C(C1)C(Nc1ccccc21)c1ccccc1
76282 OC(=O)c1c(NC(=O)c2ccc(F)cc2)scc1-c1ccccc1
76283 Nc1ccc(Oc2cc(N)cc(Oc3ccccc3)c2)cc1
76284 Brc1ccc(cc1)-n1cnc(c1)-c1ccccc1
76285 Brc1cccc(c1)C(=O)NNC(=O)CN1CCCCC1
76286 CN(CC(=O)N1CCc2ccccc2C1)c1ccccc1
76287 Cc1cccc(c1)C(=O)ONC(=N)Cc1cccc2ccccc12
76288 CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
76289 CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
76290 CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Cl)cc2)C1=O
76291 Oc1c(C(=O)NCCC2=CCCCC2)c(=O)nc2sccn12 |t:8|
76292 Oc1c(C(=O)NCCCc2ccccc2)c(=O)nc2sccn12
76293 CC1CC(C)CN(CCCNC(=O)c2c(O)nc3c(C)cccn3c2=O)C1
76294 Fc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1
76295 Cc1csc2nc(=O)c(C(=O)NCCC3=CCCCC3)c(O)n12 |t:14|
76296 COc1c(OC(C)=O)c(=O)n2c3ccccc3c3ccnc1c23
76297 COc1cccc(NC(=O)c2ccccc2)c1
76298 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
76299 CC[N+](CC)=c1ccc2nc3ccc(N)cc3n(-c3ccccc3)c2c1 |(14.37,8.04,;13.04,7.27,;11.7,8.03,;11.7,9.57,;13.03,10.35,;10.37,7.26,;10.37,5.65,;8.98,4.86,;7.6,5.68,;6.26,4.91,;4.93,5.68,;3.55,4.86,;2.16,5.65,;2.16,7.26,;.83,8.03,;3.55,8.05,;4.93,7.22,;6.26,7.99,;6.26,9.53,;7.6,10.3,;7.6,11.84,;6.26,12.61,;4.93,11.84,;4.93,10.3,;7.6,7.22,;8.98,8.05,)|
76300 CCC1Nc2ncnc(N3CCN(CC3)c3ccccn3)c2N(Cc2ccc(Br)cc2)C1=O
76301 Oc1c(Br)cc(Br)c2cccnc12
76302 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
76303 COc1cccc2c(Cl)c(CCCl)c(C)nc12
76304 NC(=O)c1ccnc2c(O)cccc12
76305 Oc1ccc(Cl)c2cccnc12
76306 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(O)=O)C(F)(F)F
76307 Cc1[nH+]c(Nc2ccc(Br)cc2Br)c([N+]([O-])=O)c(=O)[n-]1
76308 Cc1sc(nc1OC(=O)c1ccccc1)-c1ccncc1
76309 COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1
76310 CCCOc1ccc(cc1)C(=O)C(CN1CCCC1)c1ccccc1
76311 CCOC(=O)C1CCCN(Cc2ccc(OCC)cc2)C1
76312 CC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
76313 CC(C)NC(=O)CCCOc1ccc(Cl)cc1Cl
76314 CC(C)Oc1ccc(NCC(=O)Nc2ccc(C)cc2)cc1
76315 CCCOc1ccccc1NC(=O)\C=C\C(N)=O
76316 Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1ccc(cc1)-n1cccc1
76317 CSc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
76318 Cc1ccc(cc1)-n1c(O)cc(Sc2ccccc2C(O)=O)c1O
76319 O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cccnc1
76320 Cc1ccc(cc1)-n1nnnc1C(Cl)c1nnnn1-c1ccc(C)cc1
76321 CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(C)cc2s1
76322 CCOc1ccccc1N1CCN(CC1)C(=O)CCCc1nc2ccccc2s1
76323 COc1ccccc1-n1c(O)c2CCC(Cc2c1O)c1ccccc1 |(14.41,-3.93,;13.64,-2.59,;14.41,-1.26,;15.95,-1.26,;16.72,.08,;15.95,1.41,;14.41,1.41,;13.64,.08,;12.1,.08,;11.21,-1.16,;11.68,-2.63,;9.75,-.69,;8.41,-1.46,;7.08,-.69,;7.08,.85,;8.41,1.62,;9.75,.85,;11.21,1.31,;11.68,2.78,;5.75,1.62,;5.75,3.16,;4.41,3.93,;3.08,3.16,;3.08,1.62,;4.41,.85,)|
76324 CCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F
76325 COc1ccc(cc1OC)C1=C\C(=C\c2cccnc2)C(=O)O1 |t:11|
76326 CCc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1Cl
76327 Cc1cc(Cl)c(OCCCCN2CCOCC2)c(Br)c1
76328 COc1ccc(C)cc1NC(=O)c1ccc(CN2CCN(CC2)c2ccccc2)cc1
76329 CC(=C)C(=O)Nc1nnc(s1)-c1cccs1
76330 CCCCC(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1
76331 OC(CN1CCCCC1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
76332 Cc1ccc(cc1NC(=O)c1cc(ccc1Cl)-n1cnnc1)-c1nc2ccccc2s1
76333 Clc1ccc(cc1)-c1nc(NC(=O)CSc2ccc3ccccc3n2)ns1
76334 Cc1ccc(cc1)-c1nnn2c1nc(NCCc1ccc(cc1)S(N)(=O)=O)c1ccccc21
76335 Cc1ccc2nc(cc(C(=O)Nc3ccc(OC(F)F)cc3)c2c1)-c1ccncc1
76336 Brc1ccc2nc(cc(C(=O)Nc3ccncc3)c2c1)-c1ccccn1
76337 Cn1c2ccccc2c(=O)c2ccc(cc12)C#Cc1ccccn1
76338 CCOC(=O)COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2csc(Nc3ccc(Cl)cc3)n2)cc1
76339 Brc1ccc(cc1)-c1cnc(o1)-c1cccs1
76340 Cc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
76341 CN(C(=O)c1ccccc1)c1nc2ccccc2s1
76342 O=c1n2CCCN=c2sc1=Cc1ccc2OCOc2c1 |c:6|
76343 Cc1c(NC(=O)c2ccccc2N)cccc1C(O)=O
76344 C=COC(=O)CSc1nc(ccc1C#N)-c1cccs1
76345 COc1ccc(OC(=O)c2cc3ccccc3o2)cc1
76346 Cc1ccc2oc(nc2c1)-c1ccco1
76347 CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
76348 COC(=O)Nc1nnc(s1)-c1ccccc1Cl
76349 Cc1cc(N2CCCCC2)n2ncc(-c3ccccc3)c2n1
76350 Cc1ccnc2ccc(cc12)-c1nc2ccccc2o1
76351 CCOC(=O)c1cc(n[nH]1)-c1cc2ccccc2o1
76352 COc1ccc2nc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)sc2c1
76353 c1csc(c1)-c1csc(n1)-c1cccs1
76354 CSc1ncccc1C(=O)OCc1ccccc1
76355 Fc1cccc2sc(nc12)N1CCCCC1
76356 Nc1nc2ccccc2n1N=Cc1ccc(Br)cc1
76357 CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C
76358 CN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccccc1
76359 N(c1ccccc1)c1ncnc2c3ccccc3oc12
76360 O=C(Oc1ccc(OC(=O)c2ccccc2)cc1)N1CCOCC1
76361 Cc1cccc(c1)-c1noc(n1)C1CCCCC1
76362 CCOC(=O)c1sc(cc1N)-c1ccc(OC)cc1
76363 Fc1ccc(cc1)C1=CCN(CC1)C(=O)Nc1ccccc1 |t:8|
76364 Cc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccco2)cc1
76365 COc1ccc(cc1)-c1cc(O)cc(O)c1
76366 COc1ccccc1-n1c(=O)oc2ccc(Cl)cc2c1=O |(3.08,2.67,;4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;13.85,-.45,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
76367 Cc1occc1C(=O)Nc1nnc(s1)C1CCCCC1
76368 Clc1ccc(COn2nnc3ccccc23)c(Cl)c1
76369 Clc1ccc(s1)C(=O)Nc1nc2ccccc2s1
76370 CC1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(C)c1
76371 Brc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1
76372 Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1
76373 CCOc1cccc(c1)-c1nc2cc(C)ccc2o1
76374 CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
76375 Clc1ccc2oc(nc2c1)-c1ccccc1
76376 COc1ccc(cc1)-c1noc(Cc2cccs2)n1
76377 OC(=O)c1ccc(OC2CSC2)cc1
76378 CCOC(=O)c1cc2ccc3ccccc3c2s1
76379 COC(=O)c1sccc1NC(=O)CCC1CCCCC1
76380 Cc1cc(C)n(n1)-c1cc(Oc2ccc(C)cc2)ncn1
76381 CCCCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1
76382 O=C(CCc1ccccc1)c1ccc2OCCCOc2c1
76383 Cc1ccccc1-c1nc2cc(Cl)ccc2o1
76384 Clc1ccc(NC(=O)Nc2nccs2)cc1
76385 O=c1oc(nc2sc3CCCCc3c12)-c1ccco1
76386 Brc1ccc(o1)C(=O)Nc1ccc-2c(Cc3ccccc-23)c1
76387 Cc1ccccc1-c1nc2sc3CCCc3c2c(=O)o1
76388 COc1ccc(cc1)-c1csc(NC(=O)c2ccco2)n1
76389 Cc1ccc2oc(nc2c1)-c1ccccc1
76390 OC(=O)c1cccc(c1)-c1nnn(Cc2ccccc2Cl)n1
76391 Cc1ccccc1-c1nnc(o1)-c1ccccc1C
76392 Fc1cccc(NC(=O)c2ccc(o2)-c2ccccc2Cl)c1
76393 Clc1ccccc1-c1ccc(o1)C(=O)Nc1ccccc1
76394 COc1ccc(NC(=O)c2ccc(o2)-c2ccccc2Cl)cc1
76395 COc1ccc(\C=C\C(=O)c2ccccc2O)cc1
76396 Brc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
76397 Cc1ccn2n(C(=O)c3ccccc3)c(=S)nc2c1
76398 Cc1noc(CC=Nc2cccc(C)c2)c1[N+]([O-])=O |w:7.7|
76399 Clc1ccsc1-c1csc(n1)-c1cccnc1
76400 Clc1nnc(N=NCc2ccccc2)c2ccccc12 |w:5.4|
76401 CSc1ccccc1NC(=O)c1cc(on1)C1CC1
76402 Cc1ccc(cc1)-c1nc2sc3CCCCc3c2c(=O)n1N
76403 CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(C)c2)c1C |w:10.9|
76404 O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1
76405 Clc1cccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
76406 Fc1ccc(NC(=S)N2N=CCC2c2ccccc2)cc1 |c:9|
76407 CCSc1nnc(NC(=O)c2ccc(C)cc2)s1
76408 O=C1N(CCSc2ccccc2)C(=O)c2ccccc12
76409 CC(=O)Nc1nc(COc2ccc3ccccc3c2)cs1
76410 Cc1ccc(cc1)-c1noc(CSc2ccccc2)n1
76411 COc1ccc(cc1)C(N)=NOC(=O)CSc1ccccc1 |w:10.11|
76412 Cc1ccc(cc1C)C(=O)c1cc2ccccc2o1
76413 COC(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
76414 Clc1ccc2oc(cc(=O)c2c1)-c1cccs1
76415 Cc1ccc(O)c(c1)-c1cc(n[nH]1)-c1ccccc1F
76416 COCC(C)n1c(C)cc(C(=O)COC(=O)c2n[nH]c3ccccc23)c1C
76417 COc1cccc(Nc2nc(cs2)-c2ccc3OCCOc3c2)c1
76418 CCOC(=O)c1sc(NC(=O)c2ccc(C)s2)cc1C
76419 Cc1ccc(Nc2ncnc3c4ccccc4oc23)cc1
76420 Clc1ccccc1COC(=O)c1cccnc1Cl
76421 CC(C)(C)NC(=O)COc1ccc(cc1)-c1ccccc1
76422 CCOc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
76423 Cc1ccc(cc1)C(=O)COC(=O)c1cccc(NC(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c1
76424 Nc1c(N=Nc2ccccc2F)c(=O)[nH]n1-c1ccccc1 |w:3.2|
76425 Clc1ccc(cc1)-c1cc2ccccc2[nH]1
76426 CCCCc1ccc(Nc2ncccc2C#N)cc1
76427 [O-][N+](=O)c1cccnc1NCCNc1ncc(cc1Cl)C(F)(F)F
76428 Cc1nnsc1NC(=O)OCc1ccccc1Cl
76429 O=C(Nc1ccc(cc1)C#Cc1ccccc1)C1CC1
76430 Cc1ccc(cc1)-c1cnn(c1N)-c1cccc(c1)[N+]([O-])=O
76431 Cc1ccc(\C=C\c2nnc(o2)-c2cccs2)cc1
76432 Cn1c2n(CC(=O)Nc3cccc(c3)-c3nc4ccccc4s3)cnc2c(=O)n(C)c1=O
76433 CC1Cc2ccccc2N1C(=O)CSc1ncccc1-c1nc2ccc(C)cc2[nH]1
76434 Clc1ccccc1-c1ccc(o1)C(=O)Nc1nccs1
76435 [O-][N+](=O)c1ccccc1N=[NH+]Cc1c[n-]c2ccccc12 |w:10.11|
76436 CC(=NOC(=O)c1ccc(Cl)cc1)c1nccs1
76437 Fc1ccc(cc1)C(=O)ON=C1CCCc2ccccc12
76438 Clc1ccc2nc(cn2c1)-c1ccc(Br)s1
76439 CC(=NOC(=O)c1ccccc1F)c1nccs1
76440 COn1c(nc2ccc(Cl)cc12)-c1ccccc1
76441 Cc1cc(C)nc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c1
76442 [O-][N+](=O)c1ccc(CSc2nc3ccccc3o2)cc1
76443 O=C(Nc1ccc(Oc2ccccc2)cc1)\C=C\c1ccco1
76444 COc1ccc2oc3ccc(OC)cc3c(=O)c2c1
76445 CCOC(=O)c1ccccc1N=CCC(=O)c1ccccc1 |w:11.11|
76446 On1n(nc([N+]([O-])=O)\c1=N/Cc1ccccc1Cl)-c1ccc2OCCOc2c1
76447 [O-][N+](=O)c1cccc(c1)N=CCC(=O)c1ccco1 |w:9.9|
76448 Brc1cccc(c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
76449 NC(=O)c1ccccc1NC(=O)\C=C\c1c(Cl)cccc1Cl
76450 COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1OC
76451 NC(=NOC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 |w:2.2|
76452 [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c1
76453 Clc1c(OC(=O)N2CCCCCC2)ccc2ccccc12
76454 COc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1OC |w:7.7|
76455 COc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1F
76456 CCCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
76457 Fc1ccc(cc1)C(=O)COc1ccc(Cc2ccccc2)cc1
76458 COC(=O)c1sccc1NC(=O)Cc1ccc(Br)cc1
76459 Cc1cc(ccc1[N+]([O-])=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1
76460 Nc1c2CCCCc2nc2sc3CCCCCc3c12
76461 O=C1\C(Sc2ccccc12)=C\c1cccs1
76462 Cc1nc(NC(=O)c2ccc(C)cc2)sc1C(=O)Nc1ccc2CCCc2c1
76463 Cc1c(csc1-c1ccccc1)C(=O)Nc1ccccc1
76464 C(c1ccccc1)n1nc(nc1-c1ccccc1)-c1ccccc1
76465 Fc1cc(Br)ccc1NC(=O)Nc1cccs1
76466 CC(C)CSC1=NSC2=NC(=O)\C(=C/c3cccs3)C(=N)N12 |t:5,8|
76467 COc1ccc(\C=C2\CCc3ccccc3C2=O)cc1OC
76468 Cc1ccc(C\N=c2/c(nn(-c3ccc4OCCOc4c3)n2O)[N+]([O-])=O)cc1
76469 Cc1cccc2sc(NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)nc12
76470 O=C(\C=C\c1ccccc1)n1cnnc1SC\C=C\c1ccccc1
76471 COc1ccccc1N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
76472 Brc1ccc(cc1)N(\C=C1/Sc2ccccc2C1=O)C(=O)c1ccco1
76473 OC(=O)c1ccc(COc2ccccc2[N+]([O-])=O)o1
76474 COc1ccc(cc1OC)C(C)=NOCC(=O)Nc1nc2ccccc2s1
76475 Brc1cc(NC2OC(=O)c3ccccc23)c2ncccc2c1
76476 CNC(=O)c1ccsc1NC(=O)c1ccc2CCCCc2c1
76477 COc1ccc2nc(Nc3nc4cc5OCCOc5cc4s3)sc2c1
76478 Fc1ccc(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
76479 Clc1ccc(CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1
76480 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccccc1
76481 CCOc1ccc(cc1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
76482 CC(C)(C)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
76483 CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
76484 CSc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1
76485 CCCCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
76486 Cc1c(\C=C\C(=O)c2ccccc2O)cnn1C
76487 FC(F)Sc1ccc(NC(=O)Cc2ccccc2F)cc1
76488 CC(=NOC(=O)c1ccc(Br)cc1)c1ccccn1
76489 O=C(Nc1ccc(cc1)N1CCCC1)\C=C\c1ccco1
76490 COc1cccc(c1)C(=O)NC(=S)Nc1ccc(cc1)N(C)C
76491 Cc1ccc(C=NN=Cc2ccc(C)s2)s1
76492 CN(C)C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1
76493 CN1C(=O)\C(=N/NC(=O)c2cc(C)oc2C)c2ccccc12
76494 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ncc(cc1Cl)C(F)(F)F
76495 CCN(CC)c1ccc(cc1)C(=O)OCC(=O)Nc1sccc1C#N
76496 COc1ccc(CN=Nc2nncc3ccccc23)c(OC)c1 |w:8.8|
76497 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCc1ccc(F)cc1
76498 O=Nc1ccc(NOC(=O)c2ccccc2)cc1
76499 Clc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2CCCc2c1
76500 Cc1ccc(cc1)-c1nnc(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n1N
76501 COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C
76502 Clc1nc(nc2scc(-c3ccccc3)c12)-c1ccccn1
76503 Cc1cnc(NC(=O)c2sc3ccccc3c2Cl)s1
76504 CSc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1
76505 CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
76506 COC(=O)c1ccc(nc1C)-c1ccc(F)cc1
76507 Cc1nc(Cl)sc1C(=O)Nc1ccc2ccccc2c1
76508 CCOc1ccc(C=NNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
76509 CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |w:3.3|
76510 Nc1cc(Cl)nc(N=NCc2c(O)ccc3ccccc23)n1 |w:8.8|
76511 COc1ccc(cc1)C(N)=NOC(=O)Cc1cccs1 |w:10.11|
76512 Cc1ccc(COc2ccc(CN=O)cc2)cc1
76513 COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1
76514 Oc1ccc(cc1)-n1nnnc1SCC(=O)Nc1sccc1C#N
76515 CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
76516 Cc1ccc(C=NOC(=O)c2nn(C)cc2Cl)cc1
76517 Cc1ccc(SCC(=O)Nc2cc(ccc2O)[N+]([O-])=O)cc1
76518 CNC(=S)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
76519 Oc1ccccc1C=Cc1noc(n1)-c1ccccc1O |w:8.9|
76520 FC(F)(F)c1nnc(NC(=O)c2ccc(Br)s2)s1
76521 O=C(c1coc2c1C(=O)c1ccccc1C2=O)c1ccccc1
76522 Oc1ccccc1-c1csc(n1)-c1ccccc1
76523 COc1cccc(c1)-c1nc(=S)c2CCCCc2o1
76524 Cc1nc(Nc2ccc(cc2)C(O)=O)sc1-c1ccccc1
76525 CCOC(=O)c1ccc(NC(=O)\C=C\c2cccs2)cc1
76526 COc1ccccc1NC(=O)CCSc1ccc(C)cc1
76527 COc1cccc(NC(=O)c2csc3CCCCc23)c1
76528 Oc1ccccc1C(=O)NC(=O)\C=C\c1ccc(Br)cc1
76529 COc1cccc(c1)-c1nc2ccc(cc2o1)[N+]([O-])=O
76530 Nn1c(SCc2ccccc2)nc2n(ncc2c1=O)-c1ccccc1
76531 COc1ccc(C)cc1NC(=O)Nc1cccc(C)c1
76532 CCCCCc1ccc(nc1)-c1ccc(OC)cc1
76533 Cn1c(nc2ccccc12)C(=Cc1ccc(O)cc1)C#N |w:11.13|
76534 Cc1ccccc1C=Cc1nc2ccccc2c(=O)[nH]1 |w:8.9|
76535 Cc1c(cccc1-c1ccc(C=C2NC(=O)N(C2=O)c2ccccc2)o1)C(O)=O |w:11.11|
76536 Nc1ccc(Br)c2cccnc12
76537 CCOC(=O)C(=C\c1ccc(cc1)N1CCCCC1)\C#N
76538 CCOC(=O)\C=C(/C)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
76539 CC(C)c1ccc(NC(=O)c2cccc(Br)c2)cc1
76540 Cc1ccc(OCc2nc(no2)-c2ccccc2)cc1
76541 CCOC(=O)c1sc(Nc2ccccc2Cl)nc1C
76542 Brc1ccccc1NC(=O)Nc1cccs1
76543 Brc1ccc(CN=Nc2ccccn2)cc1 |w:7.7|
76544 [O-][N+](=O)c1ccc([N-]\N=[NH+]\c2ccccc2)cc1
76545 CC(C)(C)c1ccc(NC(=O)c2ccccc2)c(c1)[N+]([O-])=O
76546 CCCc1ccc(OC(=O)c2ccc(O)cc2Cl)cc1
76547 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccccc1 |w:10.10|
76548 CCOC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1
76549 Cc1ccc(O)c(c1)C1=Nc2ccccc2C1(C)C |t:9|
76550 [O-][N+](=O)c1cccc(CN=Nc2ccccn2)c1 |w:10.10|
76551 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NC(=O)NCc1ccccc1
76552 CN(C)c1ccc(cc1)C(=O)\C=C\c1ccccc1
76553 COc1ccccc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
76554 CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(OC)c2)c1C |w:10.9|
76555 O=C(\C=C\c1cccs1)c1ccc(cc1)N1CCOCC1
76556 O=C(CSc1ncnc2ccccc12)c1cccs1
76557 COC(=O)c1ccc(cc1)\N=N\c1ccccc1
76558 Clc1cccc(OCn2nnc3ccccc3c2=O)c1
76559 CSc1ncccc1C(=O)OCc1ccccc1Cl
76560 O=C1CC(\C=C\c2ccccc2)=Nc2ccccc2N1 |c:12|
76561 N(c1nc2ccccc2s1)c1ccccc1
76562 CC(OC(=O)c1ccc(s1)[N+]([O-])=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
76563 Oc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
76564 CCO\C=C1\C(=O)N(C(=O)c2ccccc12)c1ccc(OC)cc1
76565 Cc1cccc(c1)N=Nc1cnc(N)s1 |w:7.7|
76566 [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1-[#6](=O)-[#6]-[#6]-c1ccc(-[#8])cc1
76567 [O-][N+](=O)c1ccc(=O)[c-](c1)C1CC(N=[NH+]1)c1ccccc1F |c:14|
76568 CCN(CC)c1ccc(C=NNC(=O)c2ccoc2C)c(O)c1 |w:10.10|
76569 CCN1C(=O)C(=NNc2ccc3ccccc3n2)c2ccccc12 |w:6.6|
76570 OC(=O)c1ccc(cc1)N=NCc1cn(Cc2ccccc2F)c2ccccc12 |w:10.11|
76571 OC(=O)c1ccc(cc1)N=NCc1cn(Cc2ccc(F)cc2)c2ccccc12 |w:10.11|
76572 Cc1cc(C)c(O)c(c1)-c1cc([nH]n1)C(=O)Nc1cccnc1
76573 COc1cccc(OCc2cc(CN=Nc3ccc(cc3)C(O)=O)ccc2OC)c1 |w:14.14|
76574 Cc1ccc(CN2CCN(CC(=O)NN=Cc3ccccc3F)CC2)cc1
76575 Fc1ccc(cc1)C(=O)n1n2ccccc2nc1=S
76576 Cl\C(C=NNC(=O)c1cccs1)=C\c1ccccc1
76577 Br\C(C=NNC(=O)c1cccs1)=C\c1ccccc1
76578 Cc1cc(C(=O)NN=C\C(Cl)=C\c2ccccc2)c(C)o1
76579 Cc1cccc(c1)C(=O)n1n2ccc(C)cc2nc1=S
76580 Brc1c(nc2-c3ccccc3Cn12)-c1ccccc1
76581 Cn1cc(\C=C\C(=O)c2ccccc2)c2ccccc12
76582 CC(C)OCCC=Nc1c(Cl)c(O)c2ccccc2c1O |w:7.7|
76583 Fc1cccc(c1)C(=O)Nc1ccc2ccccc2c1
76584 CCOc1ccc(C=C2CCc3ccccc3C2=O)cc1
76585 CCOC(=O)Nc1ccc2nc(sc2c1)N1CCCCCC1
76586 [O-][N+](=O)c1ccc(\C=C2/CCc3ccccc3C2=O)cc1
76587 Nc1ccc(C=Cc2ccc3ncccc3c2)cc1
76588 CN(C)c1ccc(cc1)\N=N\c1cccc2ccoc12
76589 COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
76590 Cc1cc(N=NCc2ccc3OCOc3c2)nc2ccccc12 |w:4.3|
76591 Clc1ccccc1NC(=O)Nc1ccc(Br)cc1
76592 Cc1ccc(C=Cc2nc3ccccc3c(=O)[nH]2)cc1 |w:6.6|
76593 Nc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1 |w:13.14|
76594 OC(=O)c1ccc(cc1)-c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
76595 CC(C)NC(=O)c1ccc2c3OCc4cc(Cl)ccc4-n3nc2c1
76596 NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1
76597 Cc1cc(O)c(cc1C)-c1cc([nH]n1)C(=O)Nc1cccnc1
76598 CC1Cc2cc(C=C3SC(S)=NC3=O)ccc2O1 |w:6.5,c:10|
76599 C(N=Nc1ccccc1)c1nc2ccccc2s1 |w:2.2|
76600 Fc1cccc(F)c1-c1nc(no1)-c1ccc(Cl)cc1
76601 CC(C)(C)C(=O)OCc1nc(cs1)-c1ccc(F)cc1
76602 Cc1noc(C)c1-c1nc(no1)-c1cccc(C)c1
76603 COC(=O)c1sc(cc1N)-c1ccc(Cl)cc1
76604 N(c1nnc(o1)-c1cccc2ccccc12)c1ccccc1
76605 FC(F)(F)c1ccnc(Oc2ccc(cc2)C2=NCCS2)c1 |t:17|
76606 COc1cccc(c1)-c1nnc(o1)-c1ccccc1[N+]([O-])=O
76608 CC(=C)c1sc(nc1C)-c1ccc(Cl)cc1
76609 CC(N=O)c1ccc2ccc3ccccc3c2c1
76610 Cc1ccc(o1)C(=O)Nc1nc2ccc(Cl)cc2s1
76611 Cc1cccc(C=NN=Cc2cccc(C)c2)c1
76612 OC(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
76613 Nc1ccccc1C#Cc1ccc(cc1)[N+]([O-])=O
76614 O=C(Nc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
76615 c1cc2cccccc2c1\N=N\c1ccccc1
76616 Cc1[nH][nH]c(=O)c1N=Nc1ccc(Br)c(Cl)c1 |w:7.7|
76617 Clc1ccc(cc1)C(=O)CC=Nc1ccccc1C#N |w:11.12|
76618 CCOC(=O)CN1C(=O)S\C(=C/c2ccc(o2)-c2cccc(C(O)=O)c2C)C1=O
76619 OC(=O)C(Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1
76620 CCOc1cccc(c1)C(=O)Nc1ccc2ccccc2c1
76621 Fc1ccccc1COc1ccc(cc1)C(=S)N1CCCC1
76622 S=C(N1CCCC1)c1ccc(OCc2ccccc2)cc1
76623 COc1ccc(cc1)-n1nc2cc(N)c(Br)cc2n1
76624 COc1cccc(c1)C(=O)Oc1ccc2ccc(O)cc2c1
76625 Cc1ccccc1C(=O)Oc1ccc2ccc(O)cc2c1
76626 Cc1ccc(cc1C)C(=O)Nc1cccc2cccnc12
76627 COc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC
76628 [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc(cc1)C1CC1(Cl)Cl
76629 Brc1ccc(NN=Nc2ccccc2)cc1 |w:7.7|
76630 Fc1ccccc1C(=O)Nc1nnc(CCc2ccccc2)s1
76631 Cc1cc(C)n2nc(cc2n1)-c1cccc(Br)c1
76632 Cc1cc(C)nc(Nc2nc(cs2)-c2ccccc2)n1
76633 COc1cc(OC)cc(c1)C(=O)Nc1ccc(Nc2ccccc2)cc1
76634 CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ccccc2c1
76635 Oc1ccc(Cl)cc1N=Nc1ccccc1 |w:9.10|
76636 COc1ccc(C=NN2CCN(CC2)c2ccccc2OC)cc1Br
76637 OC(=O)c1cc(ccc1Cl)-c1ccc(\C=C2/SC(=O)N(CC#C)C2=O)o1
76638 Clc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1
76639 Cc1ccc(NC(=O)c2ccc3OCOc3c2)cc1Cl
76640 COc1cccc(c1)N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
76641 Cc1ccc(N=Cc2c(O)c3ccccc3oc2=O)c(C)c1 |w:5.4|
76642 COCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1
76643 CC(C)c1ccc(cc1)N=Cc1c(O)c2ccccc2oc1=O |w:9.9|
76644 COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1
76645 Brc1ccc(NC(=O)c2ccc3OCOc3c2)cc1
76646 N=c1oc2ccccc2cc1C(=O)Nc1ccccc1
76647 CC(C)(C)c1ccc(cc1)C(=O)NCCOc1ccccc1
76648 Cc1ccnc(Nc2nc(cs2)-c2ccccc2)c1
76649 Cc1nc(C)c(s1)-c1csc(Nc2ncccc2C)n1
76650 CC(=NOC(=O)c1ccccc1Br)c1ccc(C)cc1
76651 NC(=O)c1c(NC(=O)c2ccccc2)sc2CCCc12
76652 Cc1ccnc(Nc2nc(cs2)-c2ccc(F)cc2)c1
76653 OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)[N+]([O-])=O)c1
76654 CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1
76655 CCc1ccc2oc(nc2c1)-c1ccc(NC(C)=O)cc1
76656 CC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
76657 Cc1cc(ccc1F)-c1csc(Nc2ccccn2)n1
76658 CCSc1nsc(NC(=O)Nc2ccccc2F)n1
76659 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(c1)C(O)=O |w:13.14|
76660 Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1
76661 COc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
76662 Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
76663 CCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
76664 Cc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O
76665 COc1ccc(NC(=O)c2ccc3ccccc3c2)cc1
76666 Clc1cccc(NC(=O)N2CCc3ccccc3C2)c1
76667 COc1ccccc1N1CCN(CC1)\N=C\c1ccc(cc1)[N+]([O-])=O
76668 Clc1ccccc1NC(=O)Nc1cccc2cccnc12
76669 COc1ccc(cc1OC)C(=O)Nc1ccc2ccccc2c1
76670 CN(C)c1ccc(CN=Nc2nc(C)c(s2)C(C)=O)cc1 |w:9.9|
76671 CCOc1ccc(cc1)-n1nc2cc(C)c(N)cc2n1
76672 Brc1cccc(c1)C(=O)Nc1ccc2ncccc2c1
76673 [O-][N+](=O)c1cccc(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
76674 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccc(Cl)cc1 |w:10.10|
76675 Oc1ccc2C(=O)\C(Oc2c1)=C\c1cccc(F)c1
76676 Cc1ccc(C)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
76677 COc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
76678 CC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12
76679 OC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1
76680 O=c1c2ccccc2oc2ccc(cc12)-c1ccc2[nH]ccc2c1
76681 COc1ccc(cc1)C(=O)ON=C(N)c1ccc(OC)c(OC)c1 |w:11.11|
76682 Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O
76683 Cc1cccc(c1)-c1cc2nc(cc(=O)n2[nH]1)-c1ccccc1
76684 Cc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(F)cc1
76685 CCOC(=O)c1ccc(nc1C)-c1ccc2CCCc2c1
76686 Cc1cccc(OCc2cc(no2)-c2ccccc2)c1C
76687 CSc1ccccc1-c1nc(no1)-c1ccncc1
76688 c1cn(cn1)-c1ccc(cc1)-c1ccc2ccccc2n1
76689 Clc1ccccc1NC(=O)Nc1ccc2nccnc2c1
76690 Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O |w:9.10|
76691 CC(=O)Nc1ccc(C=Cc2nnc([nH]2)-c2ccccc2O)cc1 |w:9.9|
76692 COc1cccc(C=C2CCC(C3CCCC3)C2=O)c1 |w:7.6|
76693 Cc1ccccc1-c1nc(no1)-c1ccc(Br)o1
76694 CCOC(=O)\C=C\c1ccc2oc3ccccc3c(=O)c2c1
76695 COc1cc2ccccc2cc1C(=O)Nc1ccccc1Cl
76696 [O-][N+](=O)c1ccc(cc1)N=[NH+]C[c-]1ccccc1=O |w:9.9|
76697 CCN(CC)c1ccc(Nc2nc(cs2)-c2cccnc2)cc1
76698 C[N+](=N[N-]c1cccc(c1)[N+]([O-])=O)c1ccccc1 |w:2.2|
76699 Cc1ccc(Nc2nc(cs2)-c2cccnc2)cc1C
76700 Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1ccccc1C(F)(F)F |w:11.12|
76701 COc1ccc(NC(=O)n2ncc3cc(Cl)ccc23)cc1OC
76702 N(c1nc(ns1)-c1ccccc1)c1ccccc1
76703 OC(=O)c1ccc(cc1)-c1ccc(OS(=O)(=O)c2ccccc2F)cc1
76704 CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(C)cc1 |w:6.6|
76705 Brc1ccc(s1)C(=O)Nc1ccc(Br)cn1
76706 COc1ccc(cc1)C(=O)CNc1ccccc1Br
76707 O=C(Cc1nc2ccccc2[nH]1)c1cccs1
76708 O=C(CCCc1ccccc1)c1ccccc1
76709 Cc1csc(NC(=O)c2ccc3ccccc3n2)n1
76710 Cc1nc2ccc(NC(=O)c3cc(Cl)ccn3)cc2s1
76711 Cc1ccc(NC(=O)c2cccc3cccnc23)cc1
76712 Cc1csc(NC(=O)c2ccc(Br)s2)n1
76713 CCOC(=O)C(=NNc1ncnc2ccccc12)c1ccc(OC)cc1 |w:6.6|
76714 Oc1cccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12
76715 [O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
76716 COc1ccccc1N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(F)cc1
76717 COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc23)cc1Cl |t:9|
76718 COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cn1
76719 Fc1ccccc1NC(=O)Nc1nc2ccccc2[nH]1
76720 CCN(CC)S(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1
76721 Cc1ccccc1-n1c(O)cc2ccccc2c1=O |(4.41,1.9,;4.41,.36,;3.08,-.41,;3.08,-1.95,;4.41,-2.72,;5.75,-1.95,;5.75,-.41,;7.08,.36,;7.08,1.9,;5.75,2.67,;8.41,2.67,;9.75,1.9,;11.13,2.72,;12.52,1.93,;12.52,.33,;11.13,-.47,;9.75,.36,;8.41,-.41,;8.41,-1.95,)|
76722 CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C
76723 O=C(c1ccccc1)c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
76724 Cc1ccc(O)c(NC(=O)c2cc(on2)-c2ccco2)c1
76725 Cc1cccc(c1)C(=O)Nc1cccc(c1)C(=O)NN=Cc1ccc2OCOc2c1
76726 Cc1ccc(cc1)S(=O)(=O)NC(=NNC(=O)c1cccc(Cl)c1)c1ccccc1 |w:12.13|
76727 Nc1c(sc2nc3CCCCc3cc12)C(=O)Nc1cccc(c1)C(O)=O
76728 Cc1ccc(cc1Cl)C(=O)Nc1ccc2OCOc2c1
76729 Cc1nn(c(C)c1CCC(=O)Nc1ccc(C)c(F)c1)-c1ccc(nn1)N1CCCCC1
76730 COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1cccc(c1)C(O)=O
76731 CN(C)c1ccc(cc1)\N=N\c1cccc(C)c1
76732 CCOc1ccc2nc(NC(=O)CSc3cnn[nH]3)sc2c1
76733 Clc1ccc(-c2cc(no2)C(=O)N2CCCCCC2)c(Cl)c1
76734 Clc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cccs1
76735 OC(=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCc3ccccc23)c1
76736 Brc1cccc(\C=C2/SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)c1
76737 CCc1sc(cc1Br)C(=O)Nc1ccc2OCCOc2c1
76738 Clc1ccccc1\C=C1/SC(=S)N(CCCC(=O)NCCCN2CCOCC2)C1=O
76739 Cc1ccc(Cn2ccsc2=NC(=O)COC(=O)c2ccc(O)cc2O)cc1 |w:11.12|
76740 Cc1c(oc2ccccc12)C(=O)Nc1ccc(C)cn1
76741 CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CNC(=O)c1ccc2ccccc2c1
76742 OC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1
76743 Cc1c(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cccc1C(O)=O
76744 COc1ccc(COC(=O)c2c(C)nn(c2Cl)-c2ccccc2)cc1
76745 COc1ccc(C)cc1NC(=O)Nc1ccc2CCCc2c1
76746 COc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
76747 COc1ccc(cc1)C(N)=NOC(=O)C1CCCCC1 |w:10.11|
76748 Oc1cccc(c1)C(=O)NN=Cc1cccc(Oc2ccccc2)c1
76749 CCOc1ccccc1NC(=O)Nc1ccc2CCCc2c1
76750 Fc1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
76751 COc1cccc(c1)C(=O)OCC(=O)c1ccc(Br)s1
76752 Cc1ccc(Cl)c2sc(NC(=O)C3=COCCO3)nc12 |t:12|
76753 Cc1ccc(cc1)-c1cc(no1)-c1ccccc1
76754 Cc1nc2cc(NC(=O)c3ccc(Br)s3)ccc2s1
76755 CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccccc2)c1C
76756 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1 |c:18|
76757 CC1CCCN(C1)C(=O)c1ccc(o1)-c1ccccc1Cl
76758 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N
76759 CC(=O)Nc1ccc(C(=O)COC(=O)C2CCCCC2)c(F)c1
76760 COc1ccccc1CNC(=O)COc1ccccc1C(=O)c1cnn(c1)-c1ccccc1
76761 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)Nc1ccc(F)cc1
76762 COc1ccccc1OCc1ccc(cc1)C(=O)Nc1ccccc1
76763 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NCCc1ccccc1
76764 COc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)c(OC)c1
76765 COc1ccc(C(=O)COC(=O)c2ccccc2O)c(OC)c1
76766 CCc1ccc(cc1)-c1csc(NC(=O)C2=COCCO2)n1 |t:16|
76767 Cc1ccc(s1)C(=O)COC(=O)c1ccc(Cl)c(N)c1
76768 COc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1Cl
76769 O=C(OCc1ccccc1C#N)c1ccc2OCCOc2c1
76770 COc1ccc(cc1)-c1cn(CCC(O)=O)c(C)n1
76771 Fc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:6|
76772 Cc1cc(no1)-n1c(C)cc(C(=O)COc2ccc(F)c(F)c2)c1C
76773 [O-][N+](=O)c1ccc(s1)C(=O)OCc1nnc(o1)-c1ccccc1
76774 COc1cc(Cl)c(NC2=CC(=O)C(=O)c3ccccc23)c(OC)c1 |t:8|
76775 Clc1cccc(c1)-c1ccc(cc1)-c1nc2ccccn2c1NCc1ccccc1
76776 COc1ccc(cc1)-c1cc2ccc(OC)cc2cn1
76777 COc1cc(OC)cc(c1)C#Cc1ccc2cc(CCCO)oc(=O)c2c1
76778 C=CCn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
76779 CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12
76780 CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
76781 Fc1ccc2cnc(cc2c1)-c1ccccc1F
76782 Fc1ccc2cnc(cc2c1)C1=CCCCC1 |t:13|
76783 COc1ccc(cc1)-c1cc2cc3OCOc3cc2cn1
76784 C1Oc2cc3cnc(cc3cc2O1)-c1ccsc1
76785 COc1cc(OC)cc(c1)-c1cc2ccccc2c(=O)o1
76786 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ccc(s1)[N+]([O-])=O |c:11|
76787 COc1cc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc(OC)c1OC
76788 CSc1nc2ccc(NC(=O)COc3ccccc3F)cc2s1
76789 CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(s1)[N+]([O-])=O
76790 CC1CCCC(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)C1C
76791 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CC(=O)Nc2ccccc12
76792 Clc1ccccc1C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
76793 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)NNC(=O)c1ccccc1
76794 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)c1ccc[nH]1
76795 COc1ccc(C=CC(=O)OCC(=O)c2ccccc2F)cc1 |w:6.5|
76796 [O-][N+](=O)c1ccc(s1)C(=O)OCC(=O)N1CCN(CC1)c1ccccc1
76797 COc1ccc(cc1NC(=O)COC(=O)c1ccc(s1)[N+]([O-])=O)S(=O)(=O)N1CCOCC1
76798 CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
76800 Cc1onc(c1C(=O)Nc1ccc(F)c(F)c1)-c1ccccc1Cl
76801 C[C@@H](N1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(cc1C1CC1)C(N)=O)c1cc(Cl)cc(Cl)c1 |r|
76802 COc1cccc(c1)N1CCN(CC(=O)Nc2nnc(s2)-c2ccccc2)CC1
76803 C[C@H](N1C[C@@H]2C[C@H]1CN2Cc1cc(F)c(cc1C1CC1)C(N)=O)c1cc(Cl)cc(Cl)c1 |r|
76804 CN(C)c1ccc(cc1)C(N1CCOCC1)c1nnnn1CCOC(=O)Nc1ccc(Cl)cc1
76805 COc1cc(NC(=O)C2COc3ccccc3O2)c(OC)cc1Cl
76806 CCCn1c(nc2ccccc12)N1CCN(CC(=O)Nc2ccc3OCCOc3c2)CC1
76807 Oc1ccc(cc1)C(N1CCc2ccccc2C1)c1nnnn1C1CCCC1
76808 C[C@@H](N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)C[C@@H]1C)c1cc(Cl)cc(Cl)c1 |r|
76809 CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(C)c1C)c1cccc(c1)C#N
76811 COCCn1nnnc1C(N(CCc1ccccc1)Cc1cccs1)c1ccccn1
76812 CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)COc1cccc(C)c1C
76813 Cc1cc2nc([nH]c2cc1C)C1CCN(CC2COc3ccccc3O2)CC1
76814 COc1ccc(cc1OC)C(N1CCc2ccccc2C1)c1nnnn1C1CCCC1
76815 COc1ccccc1N1CCN(CC1)C(c1nnnn1C(C)(C)C)c1ccccc1Cl
76816 COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1Cc1ccc(F)cc1
76817 C[C@H](N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)C[C@@H]1C)c1cc(Cl)cc(Cl)c1 |r|
76818 CC1CCN(CC1)C(=O)C1CCN(CCCc2ccccc2)CC1
76819 CC(C)(C)n1nnnc1C(N1CCCc2ccccc12)c1cccs1
76820 Fc1cccc(NC(=O)C2CCN(CC2)c2nnnn2-c2ccccc2)c1
76822 C[C@@H](N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)C[C@H]1C)c1cc(Cl)cc(Cl)c1 |r|
76824 O=C(CN1CCN(CC1)c1nc(cs1)-c1ccccc1)NCc1ccc2OCOc2c1
76825 CCn1c(Cn2nnc(n2)-c2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C
76826 C[C@H](N1CCN(Cc2cc(F)c(cc2C2CC2)C(N)=O)C[C@H]1C)c1cc(Cl)cc(Cl)c1 |r|
76827 COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1Cc1ccccc1
76828 COc1cccc(C(N2CCN(CC2)c2ccccc2)c2nnnn2CCc2ccccc2)c1OC
76829 CC(NC(=O)CCC(=O)NC(C)C1COc2ccccc2O1)C1COc2ccccc2O1
76830 Cc1cc(nc(n1)-c1ccccc1)N1CCC(CC1)C(=O)Nc1ccc(F)cc1
76831 CC(C(=O)N1c2ccccc2Sc2ccccc12)n1nnc(n1)-c1cccs1
76832 Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)NC(=O)N1CCN(CC1)c1ccccc1
76833 Cc1ccc(cc1)S(=O)(=O)NCC(=O)N(CC(=O)NCc1ccco1)Cc1ccc2OCOc2c1
76834 CCC(N1CCN(CC1)c1cc(Cl)ccc1C)c1nnnn1Cc1ccco1
76835 Cc1ccc(cc1)-c1nnc(CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)o1
76836 O=S(=O)(N1CCOCC1)c1cccc(c1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
76838 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(O[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F |r|
76839 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C(c1ccccc1)c1ccccc1
76840 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(Cc2ccc(Cl)c(Cl)c2)CC1
76841 Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1
76842 Fc1ccc2n(nnc2c1)C1CCN(CC(=O)Nc2ccc3CCCc3c2)CC1
76843 CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)OC1CCCCC1
76844 COc1ccc(cc1)N1CCN(CC1)C(c1nnnn1Cc1ccco1)c1ccccc1OC
76845 CC(C)Oc1ccccc1Cn1c2cc(C)ccc2oc1=O
76846 O=C(CN1CCN(CC1)c1ccccn1)N(c1ccccc1)c1ccc2ccccc2c1
76847 COc1cccc(CN2CCC(C)(COc3cc(F)c(cc3C3CC3)C(=O)NS(C)(=O)=O)CC2)n1
76848 COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OC(C)C)c1
76849 CC(C)C(N1CCSCC1)c1nnnn1Cc1ccc(F)cc1
76850 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C(=O)c1cc(Cl)c(Cl)cc1F
76851 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CCN(CC1)C(=O)c1cc(Cl)ccc1Cl
76852 Cc1cccc(c1)C1=NCC(=O)N(CC(=O)NCc2ccco2)c2sc3CCCCc3c12 |t:8|
76853 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Cl)cc3C(F)(F)F)CC2)cc1F
76854 CCC(N1CCN(CC1)c1cc(Cl)ccc1C)c1nnnn1C(C)(C)C
76855 Cc1ccc(Cl)cc1N1CCN(Cc2nnnn2Cc2ccco2)CC1
76856 Cc1cc(C)cc(c1)N(CC(=O)NCc1ccc2OCOc2c1)C(=O)CCC(=O)Nc1ccccn1
76857 Cc1cc(C)nc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cc(Cl)ccc1C
76858 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(ccc3Cl)C(F)(F)F)CC2)cc1F
76859 Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)n1
76860 Cc1ccc(cc1)-c1nnc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)o1
76861 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)cc1F
76862 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 |t:17|
76863 O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
76864 Clc1ccc(Cn2ncc3c(NCc4ccco4)ncnc23)c(Cl)c1
76865 O=c1oc2ccccc2n1CSc1nc2ccccc2s1
76866 CCN(CC(=O)Nc1c([nH]c2ccccc12)C(=O)OC)c1ccc2OCOc2c1
76867 CC1CC(=O)C(C)CN1C(=O)N1c2ccccc2Sc2ccccc12
76868 O=C(NC1CCCCC1)N1CCSC1=Nc1ccccc1 |w:14.16|
76869 Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F
76870 COc1ccccc1N1CCN(CC1)C(=O)C1c2ccccc2Oc2ccccc12
76871 Oc1ccccc1C1=Nc2nc3ccccc3n2C(C1)c1ccccc1 |t:8|
76872 Cc1ccc2[nH]c(C(O)=O)c(NC(=O)CN3CCN(CC3)c3cccc(C)c3C)c2c1
76873 CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1
76874 COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
76875 CCCCOC(=O)n1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCC1
76876 COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1
76877 [#6]-c1cc(-[#6])n(-[#6]-[#6]-[#8]-[#6](=O)-[#6]2-[#6](\[#6]=[#6](\Cl)Cl)C2([#6])[#6])n1
76878 Cc1nc(SCC(=O)NCc2ccc3OCOc3c2)c(C#N)c2CCCCc12
76879 O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)N1CCN(CC1)c1ccccc1
76880 CCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc12
76881 CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1
76882 C(CN1CN(CN(C1)c1nc2ccccc2s1)c1nc2ccccc2s1)N1CCOCC1
76883 Cc1cnc(Nc2nc3ccccc3o2)nc1C(=O)Nc1cccc(c1)C(F)(F)F
76884 CC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2o1
76885 Fc1ccc(c(F)c1)-n1c(SCc2nnc(o2)-c2ccccc2)nc2ccccc2c1=O |(4.86,-6.89,;6.2,-6.12,;7.53,-6.89,;8.87,-6.12,;8.87,-4.58,;7.53,-3.81,;7.53,-2.27,;6.2,-4.58,;10.2,-3.81,;10.2,-2.27,;8.87,-1.5,;8.87,.04,;7.53,.81,;6.12,.19,;5.09,1.33,;5.86,2.67,;7.37,2.35,;5.24,4.07,;6.14,5.32,;5.52,6.73,;3.99,6.89,;3.08,5.64,;3.71,4.23,;11.53,-1.5,;12.87,-2.27,;14.24,-1.44,;15.64,-2.23,;15.64,-3.84,;14.24,-4.63,;12.87,-3.81,;11.53,-4.58,;11.53,-6.12,)|
76886 CN1CCN(CC1)c1ccc(Cl)cc1NC(=O)C1COc2ccccc2O1
76887 Fc1cc(OCC2CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
76888 CC(N1c2cccc3cccc(c23)S1(=O)=O)C(=O)NCc1ccc2OCOc2c1
76889 Clc1cccc(c1)N1CCN(CC1)C(=O)CSCc1nc2ccccc2[nH]1
76890 O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2OCCOc2c1)c1cccs1
76891 OC(COCc1ccco1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
76892 CC(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccco1
76893 CN(CCOc1ccc(Cl)cc1)c1ccc(cn1)S(=O)(=O)N1CCCCC1
76894 O=C(N1CCC(CC1)c1nc2ccccc2o1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
76895 COc1ccc(cc1)N1CCN(CC1)C(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
76896 Fc1ccc(cc1)-c1nnc(CN2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)o1
76897 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)Cn1nnc(n1)-c1ccccc1C
76898 CN1C(=CC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)C(C)(C)c2ccccc12 |w:3.3|
76899 Cc1ccc(cc1)S(=O)(=O)c1nc(oc1NCc1cccnc1)-c1ccccc1
76900 CCOc1ccc(cc1)-c1nnc(NC(=O)c2ccc(OCC(C)C)c(OC)c2)o1
76901 Fc1cc(OCC2CCN(Cc3cc(cc(Cl)c3Cl)C(F)(F)F)CC2)c(cc1C(=O)NS(=O)(=O)N1CCC1)C1CC1
76902 Cc1cccc(NC(=O)CNc2cc(C)ccc2C)c1
76903 Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1
76905 Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(o1)-c1ccccc1
76906 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)cc3C(F)(F)F)CC2)cc1F
76907 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(F)cc3C(F)(F)F)CC2)cc1F
76908 COc1ccc(cc1)C(N1CCN(CC1)c1ccccc1)C(=O)C(O)c1c[nH]c2ccccc12
76909 Fc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCCC1
76910 O=C(COC(=O)CCc1ccc(cc1)S(=O)(=O)N1CCCCC1)Nc1ccc2OCOc2c1
76911 O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2OCCOc2c1
76912 Fc1ccccc1CC(=O)Nc1nc(cs1)-c1cccs1
76913 CCN(CCCNC(=O)CCc1nc(no1)-c1ccc(C)cc1)c1cccc(C)c1
76914 Cc1ccc(cc1)-n1nc2CSCc2c1NC(=O)c1cccs1
76915 Clc1ccccc1CSC1=Nc2ccccc2C2=NC(CCC(=O)NCc3ccco3)C(=O)N12 |t:10,19|
76916 CCc1ccc(cc1)-c1nc(CN2CCC(CC2)C(=O)NCc2ccc(F)cc2)c(C)o1
76917 Cc1oc(nc1CN1CCC(CC1)C(=O)NCc1ccco1)-c1cccc(Cl)c1
76918 Cc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)NCc1ccc2OCOc2c1
76919 CN(C(=O)CCc1nc(no1)-c1ccc(C)cc1)c1ccccc1C
76920 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)c(Cl)c3)CC2)cc1F
76921 CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCC(C)CC1
76922 O=S(=O)(NCCc1csc(n1)-c1ccccc1)c1ccc2OCCOc2c1
76923 Cc1cc(C)cc(c1)-n1nnc(C(=O)NCc2ccc3OCOc3c2)c1N
76924 FC(F)(F)c1cccc(NC2N(Cc3ccco3)C(=O)c3ccccc23)c1
76925 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(on1)-c1ccco1
76926 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(F)c(Br)cc3F)CC2)cc1F
76927 Cc1oc(nc1CN1CCCC(C1)C(=O)NC1CCCCCC1)-c1cccc(C)c1
76928 COc1ccc(cc1)-c1noc(CCC(=O)N(C)c2cccc(C)c2)n1
76929 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(Br)cc3F)CC2)cc1F
76930 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(c3)C#N)CC2)cc1F
76931 FC(F)(F)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)c1
76932 Cc1nc2c(c[nH]n2c(=O)c1Cc1ccccc1F)C(=O)NCc1ccc2OCOc2c1
76933 OC(CN(CC=C)CC=C)Cn1c2ccccc2c2ccccc12
76934 COc1cc(NC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)cc(OC)c1
76935 Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(on1)-c1cccs1
76936 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(F)c(c3)C#N)CC2)cc1F
76937 CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1
76938 CCC1CCCCN1S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccs1
76939 CCN(CCCNC(=O)CCc1nc(no1)-c1ccc(OC)cc1)c1cccc(C)c1
76940 Cc1nn(Cc2ccc(o2)C(=O)NCc2ccc(C)cc2)c(C)c1Cl
76941 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(CC2)c2cccc(n2)C(F)(F)F)cc1F
76942 Cc1ccc(CN2C(CCC2=O)C(=O)N2CCN(CC2)c2ccc(F)cc2)cc1
76943 CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)CN(Cc2cc(cc(Cl)c2F)C(F)(F)F)C1
76944 COc1ccc(OC)c(NC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)c1
76945 CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1cccs1
76946 COc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1
76947 COC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cc(Cl)cc(Cl)c3C#N)CC2)cc1F
76948 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(CCN(Cc3cc(cc(Cl)c3F)C(F)(F)F)CC2)C#N)cc1F
76949 CCN(Cc1ccccc1)C(=O)CCc1nc(no1)-c1ccc(C)cc1
76950 Cc1ccccc1-n1nc2CSCc2c1NC(=O)c1ccc(Br)o1
76951 Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)no1
76952 CCN(CCNC(=O)CS(=O)(=O)Cc1nc(oc1C)-c1cccc(OC)c1)c1ccccc1
76953 CC(C)(C)n1nc2CSCc2c1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
76954 O=C(N1CC(COc2ccccc2)OC(O1)c1ccco1)c1ccccc1
76955 CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(F)CCN(Cc3cc(cc(n3)C3CC3)C(F)(F)F)CC2)cc1F
76956 C[C@@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)(CC1)C#N)c1cc(Cl)cc(Cl)c1 |r|
76957 O=C(CSCc1cnn(c1-n1cccc1)-c1ccccc1)NCc1ccc2OCOc2c1
76958 C[C@H](N1CCC(COc2cc(F)c(cc2C2CC2)C(=O)NS(C)(=O)=O)(CC1)C#N)c1cc(Cl)cc(Cl)c1 |r|
76959 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CC1Sc2ccccc2NC1=O
76960 Cc1ccc(cc1)-c1noc(CCC(=O)Nc2cccc(c2)C#N)n1
76961 CC(C)Sc1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1ccco1
76962 CCc1ccc(s1)S(=O)(=O)NCc1csc(n1)-c1ccccc1
76963 Nc1ncnc2n(nc(-c3ccc(Oc4ccc(F)cc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
76964 Cc1oc(nc1CN1CCCC(C1)C(=O)NC1CCCCC1)-c1cccc(C)c1
76965 FC(F)(F)c1cc(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)ccc1Cl
76966 CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CC(C)CC(C)C1
76967 CC1CCC(CC1)NC(=O)C1CCCN(Cc2nc(oc2C)-c2cccc(C)c2)C1 |(3.08,8.58,;4.41,7.81,;5.75,8.58,;7.08,7.81,;7.08,6.27,;5.75,5.5,;4.41,6.27,;8.41,5.5,;8.41,3.96,;7.08,3.19,;9.75,3.19,;11.08,3.96,;12.42,3.19,;12.42,1.65,;11.08,.88,;11.08,-.66,;12.42,-1.43,;12.58,-2.96,;14.08,-3.28,;14.85,-1.94,;13.82,-.8,;14.14,.71,;14.71,-4.69,;16.24,-4.85,;16.87,-6.25,;15.96,-7.5,;14.43,-7.34,;13.53,-8.58,;13.8,-5.93,;9.75,1.65,)|
76968 CCc1ccccc1N(C)C(=O)CCc1nc(no1)-c1ccc(C)cc1
76969 Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1cc(on1)-c1ccc2OCOc2c1
76970 CC(C)(C)n1ncc2c1ncn(CC(=O)Nc1ccc(Cl)cc1)c2=O
76971 CCOc1ccc(cc1OCC)C(=O)Nc1c2CSCc2nn1C(C)(C)C
76972 COc1ccc(cc1OC)C(=O)N(Cc1nc(no1)-c1ccc(C)cc1)C1CCCCC1
76973 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)c(Cl)c3)c12)[C@@H]1CCCN(C1)C(=O)C=C |r|
76974 CC(C)N(Cc1nc(no1)-c1ccc(C)cc1)C(=O)CCCCCN1C(=O)c2ccccc2C1=O
76975 Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
76976 O=C(OCc1nc2ccccc2s1)c1cccs1
76977 Cc1ccc(cc1)S(=O)(=O)Nc1ccc2nc([nH]c2c1)-c1cccn1C
76978 FC(F)(F)c1cc(nc(SCCC(=O)N2CCN(CC2)c2ccccn2)n1)-c1ccco1
76979 CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1
76980 CC(C)N(Cc1nc(no1)-c1cccc(C)c1)C(=O)c1ccc(Br)o1
76981 Brc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
76982 COc1ccc(Cn2ncc3c(nc(nc23)C(C)(C)C)N2CCC(F)(F)C2)cc1
76983 COc1ccccc1OCc1nc(Cc2ccc(Cl)cc2)no1
76984 CCCOc1cc(C)c(cc1C)S(=O)(=O)n1ccc(C)n1
76985 Cc1cccc(N2CCN(CC2)C(=O)CCCOc2ccccc2)c1C
76986 Cc1nc2cccc(N)c2c(=O)n1C1CCC(=O)NC1=O
76987 Brc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2Cc2ccco2)cc1
76988 O=C(CSc1nc(nc(n1)N1CCCCC1)N1CCCCC1)N1CCN(CC1)c1ccccc1
76989 CC(C)N(Cc1nc(no1)-c1ccccc1)C(=O)COc1ccccc1C
76990 CCC(=O)n1nc(NCc2ccccc2OC)nc1NCc1ccccc1OC
76991 Cc1[nH]c2ccccc2c1C1(O)C(=O)Nc2ccc(C)cc12
76992 Cc1csc(NC(=O)c2sc3nc(ccc3c2N)-c2cccs2)n1
76993 Cc1ccc(cc1C)-n1ncc(C(=O)NCc2ccc3OCOc3c2)c1NC(=O)c1ccco1
76994 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;HN$|
76995 CCOc1ccccc1NC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(OC)c(C)c1
76996 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccccc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;$|
76997 COc1ccc(cc1)S(=O)(=O)N(Cc1nc(no1)-c1ccccc1)Cc1ccccc1
76998 O=C(CC1NCCNC1=O)Nc1ccc(Oc2ccccc2)cc1
76999 CC(C)(C)c1csc(NC(=O)Cn2c3ccccc3oc2=O)n1
77000 c1ccc(cc1)-c1ccccc1-c1nc(no1)-c1cccnc1
77001 O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O
77002 COc1ccc(cc1OC)-c1noc(CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)n1
77003 O=C1N(Cc2c1cccc2OCc1ccc(OCCN2CCCC2)cc1)C1CCC(=O)NC1=O |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
77004 CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(OC)c2ccccc12
77005 O=C1N(Cc2c1cccc2OCc1ccc(OCCN2CCOCC2)cc1)C1CCC(=O)NC1=O |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
77006 COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1C
77007 COc1ccccc1OCC(=O)N(Cc1nc(no1)-c1ccccc1)C1CCCCC1
77008 O=C1N(Cc2c1cccc2OCc1ccc(CCN2CCOCC2)cc1)C1CCC(=O)NC1=O
77009 CSc1cccc(NC(=O)CSc2ccccc2)c1
77010 FC(F)(F)c1cc(NCCC(=O)c2ccco2)ccc1Cl
77011 COc1nnc(-c2ccc(N3CCCCC3)c(N)c2)c2ccccc12
77012 CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)Cc1ccccc1
77013 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)C1CCCO1
77014 Clc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1nc2ccccc2s1
77015 O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O |r|
77016 O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NCc1ccc2OCOc2c1
77017 CCC(=O)N1CCN(CC1)c1ccc(Cl)cc1NC(=O)Cc1ccccc1
77018 Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NCc1ccc2OCOc2c1
77019 CCC(=O)N1CCN(CC1)c1ccccc1NC(=O)COc1cc(C)ccc1C(C)C
77020 CC(C)N(Cc1nc(no1)-c1cccc(C)c1)C(=O)c1ccc2OCOc2c1
77021 COc1cccc(c1)N1CCN(CC1)c1cc(O)n(c1O)-c1ccc(Cl)c(Cl)c1
77022 Cc1ccccc1CSCCNC(=O)CN(c1ccc2OCOc2c1)S(C)(=O)=O
77023 C(Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1nc(no1)-c1ccccc1
77024 COc1cccc(C(=O)N(Cc2nc(no2)-c2cccc(C)c2)C(C)C)c1OC
77025 Clc1ccc(NC(=O)CCC2COc3ccccc3O2)nc1
77026 CCN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(C)c1
77027 Brc1ccc(NC(=O)CSc2ncn(n2)-c2ccccc2)nc1
77028 Cc1oc(nc1CS(=O)CC(=O)NCCc1ccc(C)cc1)-c1cccc(C)c1
77029 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN$|
77030 CCn1c(SCc2nc(no2)-c2ccccc2)nc2ccccc12
77031 Cc1ccc(O)c(CNc2nc3ccccc3n2CC=C)c1
77032 CC1CC(C)CN(C1)C(=O)CSc1nnc(o1)-c1ccc(Cl)s1
77033 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CSC)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
77034 Cc1ccc(cc1)-c1noc(CSc2nnnn2C2CCCCC2)n1
77035 Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1
77036 O=c1n(Cc2ccccc2)c(nc2ccccc12)N1CCN(CC1)c1ccccc1
77037 CCc1ccccc1NC(=O)c1cc2sccc2n1C
77038 Cc1oc(nc1CS(=O)(=O)CC(=O)Nc1cc(F)ccc1F)-c1ccccc1C
77039 CC(C)N(Cc1nc(no1)-c1ccc(Cl)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O
77040 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
77041 CC(C)Cc1cc(no1)C(=O)Nc1ccn(Cc2ccc(C)cc2)n1
77042 Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccc(F)cc1
77043 Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
77044 COc1ccc(cc1)-c1nc(CS(=O)CC(=O)NCc2ccc(Cl)cc2)c(C)o1
77045 CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C
77046 Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccc(F)cc1
77047 CCCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O |r,t:4|
77048 CCc1cccc(NC(=O)CS(=O)Cc2nc(oc2C)-c2ccc(C)cc2)c1
77049 Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1-c1ccc(F)cc1
77050 Cc1oc(nc1CS(=O)CC(=O)NCc1ccc(Cl)cc1)-c1ccc(C)cc1
77051 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;HN$|
77052 Cc1oc(nc1CS(=O)CC(=O)NCc1ccc(C)cc1)-c1ccccc1C
77053 CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
77054 CN(C1CCCCC1)C(=O)CS(=O)(=O)Cc1nc(oc1C)-c1ccccc1C
77055 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN$|
77056 Fc1ccc(NC2N(Cc3ccco3)C(=O)c3ccccc23)cc1Cl
77057 C(Sc1nnnn1-c1ccccc1)c1nc(no1)-c1ccccc1
77058 CCCCCn1c2ccccc2n(CC(O)COc2ccccc2OC)c1=N
77059 Cc1ccc(cc1-c1cc(nc(n1)N1CCS(=O)(=O)CC1)N1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
77060 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
77061 Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(F)cc1
77062 Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(F)cc1
77063 COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3NC(=O)CCc3c2)cc1
77064 CNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O |r,t:2|
77065 Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccc(F)cc1
77066 Clc1ccc(s1)-c1nnc(NC(=O)COc2ccccc2)o1
77067 CC1CCCCN1C(=O)CSCC(=O)Nc1nc(cs1)-c1cccs1
77068 COc1ccc(OC)c2sc(NC(=O)C3COc4ccccc4O3)nc12
77069 O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)C1COc2ccccc2O1
77070 Cc1cc(NC(=O)CSc2c(C)[nH]c3ccccc23)no1
77071 COc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1
77072 Cc1ccc(o1)-c1csc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)n1
77073 CC1CCN(CC1)C(=O)CSCC(=O)Nc1nc(cs1)-c1cccs1
77074 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccccc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;HN$|
77075 O=C(Nc1nc(cs1)-c1cccs1)c1ccc(cc1)S(=O)(=O)N1CCCCC1
77076 Cc1onc(c1C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O)-c1ccccc1Cl
77077 CC1CCCN(C1)C(=O)CSCC(=O)Nc1nc(cs1)-c1cccs1
77078 FC(F)(F)c1cc(NC(=O)c2ccco2)ccc1Cl
77079 Cn1nncc1Cn1ncc2c(nc(nc12)C(C)(C)C)N1CCC(F)(F)C1
77080 CCCCC1(CCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;$|
77081 Brc1ccc(o1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
77082 COc1ccc2nc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1
77083 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;HN$|
77084 CCN(CC)S(=O)(=O)c1cc(ccc1C)C(=O)Nc1ccc(Cl)cn1
77085 Cc1onc(c1C(=O)Nc1ccc(C)c(F)c1)-c1c(F)cccc1Cl |(12.07,2.8,;12.23,1.26,;13.57,.49,;13.25,-1.01,;11.71,-1.17,;11.09,.23,;9.58,.55,;8.55,-.59,;9.11,2.02,;7.6,2.34,;6.57,1.19,;5.06,1.51,;4.59,2.98,;3.08,3.3,;5.62,4.12,;5.14,5.59,;7.12,3.8,;10.94,-2.51,;12.28,-3.28,;13.61,-2.51,;12.28,-4.82,;10.94,-5.59,;9.61,-4.82,;9.61,-3.28,;8.28,-2.51,)|
77086 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](C(C)C)C(O)=O)c3ccc(O)cc3)cc2S(=O)(=O)N1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;HN$|
77087 CCn1c(CSc2nc3ccccc3s2)nc2ccccc12
77088 CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(O)=O)c3ccccc3)cc2S(=O)(=O)C1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;$|
77089 O=C(Nc1cnc2ccccc2c1)C1COc2ccccc2O1
77090 CSc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1
77091 O=C(NC1CCCCC1)N(Cc1ccco1)Cc1ccccc1
77092 CCCCCCCCCCCCCCCCOCCCOP(O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
77093 COc1cc(CNc2nccs2)cc(Br)c1OCC=C
77094 CC(C)C1=NN=C(C(N1O)c1c(C)[nH]c2ccccc12)c1ccccc1 |c:5,t:3|
77095 CCn1nccc1C(=O)Nc1cc(Cl)cc(Cl)c1
77096 CCC(=Nn1nnnc1Nc1ccccc1)c1ccccc1 |w:3.3|
77097 C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCO |r|
77098 COc1ccc(cc1)N(CC(=O)Nc1cccc(c1)C(F)(F)F)S(C)(=O)=O
77099 CCN(CC)S(=O)(=O)c1ccc-2c(c1)C(N=O)c1cc(ccc-21)S(=O)(=O)N(CC)CC
77100 O=C(NC1CCCCC1)C(N(Cc1ccc2OCOc2c1)C(=O)c1cnsn1)c1ccccc1
77101 O=C(Cc1cccs1)N(Cc1ccc2OCOc2c1)C(C(=O)NC1CCCC1)c1ccccc1
77102 CCSc1nc2ccccc2n1CCOc1ccccc1
77103 CC(C)(C)n1nnnc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1
77104 CN(C)c1ccc(cc1)C(N1CCN(CC1)c1cc(C)ccc1C)c1nnnn1C(C)(C)C
77105 C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCC(O)=O |r|
77106 CCc1nnc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2cccc(Cl)c2)s1
77107 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C)cc1-c1cc(nc(n1)N1CCOCC1)N1CCOCC1
77108 C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCC(O)=O |r|
77109 Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(Cl)c1
77110 CCC(C)(C)n1nnnc1C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(C)cc1
77111 S=C(NC1CCCCC1)N(CCc1nc2ccccc2[nH]1)C1CCCC1
77112 O=C(Cc1c[nH]c2ccccc12)OCCOC(=O)Cc1c[nH]c2ccccc12
77113 COc1ccccc1C(N1CCN(CC1)c1cccc(C)c1C)c1nnnn1Cc1ccco1
77114 Cc1ccc(cc1)-c1nc2ccccn2c1NCc1ccc2OCOc2c1
77115 O=C(CN(Cc1ccccc1)C(=O)c1cc2CCCc2s1)NCc1cccs1
77116 CC1CCCN(C1)C(c1cccs1)c1nnnn1Cc1ccccc1
77117 Fc1ccc(Cn2nnnc2C(N2CCSCC2)c2ccc(Cl)cc2)cc1
77118 CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1ccc(F)cc1
77119 CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1ccc(F)cc1)c1ccc(F)cc1
77120 Clc1ccc(cc1)C(N1CCSCC1)c1nnnn1CCc1ccccc1
77121 CCC(C)(C)n1nnnc1C(N1CCC(Cc2ccccc2)CC1)c1ccncc1
77122 CCC(C)(C)n1nnnc1C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccnc1
77123 CCN(Cc1ccccc1)C(c1nnnn1C1CCCCC1)c1ccccn1
77124 CCN(Cc1ccccc1)C(c1nnnn1C(C)(C)C)c1ccc(cc1)C(F)(F)F
77125 C(c1ccco1)n1nnnc1C(N1CCN(CC1)c1nc2ccccc2s1)c1ccccc1
77126 Oc1ccc(cc1)C(N(CC1CCCO1)C(=O)C1COc2ccccc2O1)C(=O)NC1CCCCC1
77127 O=S(=O)(NCc1ccccc1)c1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)C1CCCC1
77128 Cc1ccc(NC(=O)c2cc(cs2)S(=O)(=O)N2CCCCC2)cc1
77129 CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
77130 O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)C1COc2ccccc2O1
77131 O=C(CSc1nnnn1C1CCCCC1)N1c2ccccc2Sc2ccccc12
77132 Clc1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
77133 Cc1ccc(cc1)-c1nnn(CC(=O)N2CCCc3ccccc23)n1
77134 CCCn1nnc(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)n1
77135 Clc1ccc(CN(CC2CCCO2)C(c2cccs2)c2nnnn2C2CCCC2)cc1
77136 O=C(Nc1nc2ccccc2s1)C1CN(C(=O)C1)c1ccccc1
77137 FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CN3CCCCCC3)c2c1
77138 COc1ccc(cc1)C1Nc2c(sc(=S)n2-c2ccccc2)C(=O)N1
77139 CN(Cc1ccccc1)C(=O)CCSc1nc(cc(n1)C(F)(F)F)-c1ccc2OCOc2c1
77140 O=C(Cc1cccs1)N(Cc1ccc2OCOc2c1)C(C(=O)NCc1ccccc1)c1ccccc1
77141 CCCCCCCCCCCCCCCCOCCCOP([O-])(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12 |r|
77142 CCCCN(C)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
77143 CCSc1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(c1)C(F)(F)F
77144 CC(C(=O)N1c2ccccc2CCc2ccccc12)n1nnc(n1)-c1ccc(C)cc1
77145 CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
77146 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(c1)C(F)(F)F
77147 CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)OC1CCCCC1
77148 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)N1CCN(CC1)c1nc(cs1)-c1cccc(OC)c1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
77149 CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1ccc(F)cc1)c1ccc(cc1)C(F)(F)F
77150 CC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1cccnc1)c1ccc(Cl)cc1
77151 O=C(NCc1ccc2OCOc2c1)c1ccc(CN2CCc3ccccc3C2)cc1
77152 CCn1c(COc2cccc(C)c2)nc2ccccc12
77153 CC(C)(C)n1nnnc1C(N1CCSCC1)c1ccc(Cl)cc1
77154 CCSc1ccc(Cl)cc1CNC(=O)c1cc(Cl)cc(OC(F)(F)F)c1
77155 COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1
77156 Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1
77157 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cc(OC(F)(F)F)c1
77158 CCOC(=O)Cc1csc(NC(=O)COc2ccc3ccccc3c2)n1
77159 Brc1cccc(c1)C1=NOC(C1)C(=O)NCc1ccc2OCOc2c1 |t:8|
77160 Clc1ccc(cc1)C1=NOC(C1)C(=O)NCc1ccc2OCOc2c1 |t:8|
77161 CC1Cc2ccccc2N1C(=O)c1cc2sccc2n1Cc1ccc(F)cc1
77162 Cc1ccc(C)c(OCCCC(=O)Nc2nccs2)c1
77163 COCCn1nnnc1C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)c1cccs1
77164 Fc1ccc(cc1)C(N(CC1CCCO1)Cc1ccco1)c1nnnn1C1CCCC1
77165 CC(C)(C)n1nnnc1C(N(CC1CCCO1)Cc1ccc(Cl)cc1)c1cccs1
77166 O=C(N1CCCc2ccccc12)c1cc2sccc2n1Cc1ccccc1
77167 O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2OCCOc2c1
77168 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cccc(c1)C(F)(F)F
77169 O=C(Nc1ccc2OCCOc2c1)c1cc2sccc2n1Cc1ccccc1
77170 CCC(C)(C)n1nnnc1C(N(Cc1ccco1)Cc1cccs1)c1ccc(C)cc1
77171 Fc1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)Nc1ccccc1
77172 CN(C)S(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccccc1
77173 O=C1CC(N2CCN(CC2)c2ccccn2)C(=O)N1CC(c1ccccc1)c1ccccc1
77174 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(Br)c(c1)C(F)(F)F
77175 Cc1ccccc1CSCCNC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCOCC1
77176 CCOc1ccc(cc1S(=O)(=O)n1nc(C)cc1C)C(C)(C)C
77177 Fc1ccc(cc1)-n1nnnc1-c1cnn(c1C(F)(F)F)-c1cccc(F)c1
77178 Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1ccccc1)C(=O)C1CC1
77179 Cc1cccc(COCC(Cc2ccccc2)N2CCN(CCC2=O)C(=O)c2cc(Cl)cc(Cl)c2)c1
77180 Clc1ccc(cc1Cl)C(=O)N1CCN(C(COCc2ccccc2)Cc2ccccc2)C(=O)CC1
77181 Cc1ccc(c(C)c1)S(=O)(=O)NC(=O)c1ccc(o1)-c1ccc(cc1)-c1ccccc1
77182 CCSc1ccc(F)cc1NNC(=O)c1cccc(c1)C(F)(F)F |$;;;;;;;;;;HN;;;;;;;;;;;;;$|
77183 Cc1[nH]c2ccccc2c1Cc1nnc(SCc2ccccc2)o1
77184 CN1CCN(CC(=O)N2c3ccccc3C(C)(CC2(C)C)c2ccc(Cl)cc2)CC1
77185 CCOC(=O)C(Sc1ncc(cc1Cl)C(F)(F)F)C=Nc1ccccc1C(F)(F)F |w:19.20|
77186 Cc1ccc(cc1)-c1noc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1
77187 Cc1snc(c1C#N)S(=O)(=O)C(=NNc1cccc(c1)C(F)(F)F)C#N |w:12.13|
77188 FC(F)(F)c1cnc(N2CCN(CC2)C(=O)Nc2ccc3OCOc3c2)c(Cl)c1
77189 COc1ccc(CSc2nnc(Cc3sc(nc3-c3ccccc3)-c3ccccc3)o2)cc1
77190 Cc1ccc(OCC(O)Cn2c3ccccc3n(Cc3ccccc3)c2=N)cc1
77191 CN(N(CC=C)S(=O)(=O)c1cccc(c1)C(F)(F)F)c1ncc(cc1Cl)C(F)(F)F
77192 CCN(CC)S(=O)(=O)c1ccc(Cc2ncc(cc2Cl)C(F)(F)F)s1
77193 Cc1cc2ncn(CCCCOc3ccccc3)c2cc1C
77194 Cc1snc(c1C#N)S(=O)(=O)C(=NNc1ccc(cc1)C(F)(F)F)C#N |w:12.13|
77195 CCS(=O)(=O)c1ccc(F)cc1NNC(=O)c1cccc(c1)C(F)(F)F |$;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
77196 Clc1ccc(cc1)N1CCN(CC1)C(=O)CCc1ccccc1
77197 CCCCN(CCCC)CP(=O)(c1ccccc1)c1ccccc1
77198 Cc1sc2ncnc(N3CCN(CCOc4ccc(C)cc4)CC3)c2c1C
77199 [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(N=Cc2ccc(o2)-c2ccc(C)cc2[N+]([O-])=O)C1=O |c:2,TLB:11:10:8.6:2.3,7:6:9.10:2.3,THB:31:9:8.6:2.3,7:8:9.10:2.3|
77200 CCSc1ccc(F)cc1CNC(=O)c1cccc(c1)C(F)(F)F
77201 CC\N=c1/sc2ccccc2n1CC(O)COc1ccccc1
77202 CCOc1ccc(NC(=O)CN(c2cccc(c2)C(F)(F)F)S(C)(=O)=O)cc1
77203 Cc1ccccc1NC(=O)c1sc2nc3CCCCc3c(-c3ccco3)c2c1N
77204 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1F)C1CCCCC1
77205 CCS(=O)(=O)c1ccc(F)cc1CNC(=O)c1cccc(c1)C(F)(F)F
77206 Clc1ccccc1NC(=O)C1CCN(Cc2cnn(c2-n2cccc2)-c2ccccc2)CC1
77207 COc1cc(CC=C)ccc1OCC(O)CN1CCC(Cc2ccccc2)CC1
77208 CCS(=O)(=O)c1ccc(Br)cc1CNC(=O)c1cccc(c1)C(F)(F)F
77209 Cc1ccc(OCC(=O)N2CCN(CC2)c2nnc(-c3ccccc3)c3ccccc23)cc1
77210 Cn1cc(cc1C(=O)NN=C(N)COc1ccccc1)C(=O)c1ccc(Cl)cc1Cl |w:9.9|
77211 CN(C1CCCCC1)S(=O)(=O)c1ccc2oc(C(=O)NCC3COc4ccccc4O3)c(C)c2c1
77212 FC(F)(F)C(=O)Nc1c(nnn1Cc1ccccc1)C(=O)Nc1ccccc1
77213 FC(F)(F)c1ccc(cc1)-c1nc(CCNC(=O)c2cccs2)cs1
77214 COc1ccc(CNC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)cc1
77215 Cc1cccc(N2CCN(CC2)C(=O)C(Cc2ccccc2)n2cccc2)c1C
77216 Cc1oc(nc1CS(=O)CC(=O)Nc1ccc(C)cc1)-c1ccc(C)cc1
77217 FC(F)(F)c1cnc(N2CCN(CC(=O)N3CCN(CC3)c3ncc(cc3Cl)C(F)(F)F)CC2)c(Cl)c1
77218 CCOc1ccc(cc1)-c1nc(CSCC(=O)NC2CCCc3ccccc23)c(C)o1
77219 Cc1nn2c(C)c(CCC(=O)N3CCN(CC3)c3ccc(F)cc3)c(C)nc2c1-c1ccc(F)cc1
77220 CC1CCN(CC1)S(=O)(=O)c1ccc2n(CC(=O)Nc3ccc(C)c(C)c3)c(=O)oc2c1
77221 CCS(=O)(=O)c1ccc(Br)cc1CNC(=O)c1cc(Cl)cc(c1)C(F)(F)F
77222 COc1cc(CC=C)ccc1OCC(O)COc1ccc(CC=C)cc1OC
77223 CCS(=O)(=O)c1ccc(Br)cc1CNC(=O)c1cc(Cl)cc(OC(F)(F)F)c1
77224 O=C(CCCOc1ccccc1)N1CCN(CC1)c1ccccc1
77225 Cc1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)cc1Cl
77226 CCS(=O)(=O)c1ccc(Br)cc1CNC(=O)c1cccc(OC(F)(F)F)c1
77227 CCC1Sc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O |t:18|
77228 CSc1ccc(F)cc1CNC(=O)c1cccc(c1)C(F)(F)F
77229 Cc1nc(sc1-c1nc(ncc1S(=O)(=O)c1ccccc1)-c1cccnc1)-c1ccccc1
77230 COc1cccc(CNC(=O)CSCc2cnn(c2-n2cccc2)-c2ccccc2)c1OC
77231 COc1ccccc1CNC(=O)CSCc1cnn(c1-n1cccc1)-c1ccccc1
77232 CS(=O)(=O)c1ccc(F)cc1CNC(=O)c1cccc(c1)C(F)(F)F
77233 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCNCC2)c(c1)C(F)(F)F
77234 CCC1Oc2ccc(C)cc2N(CC(=O)NCC2COc3ccccc3O2)C1=O
77235 Cc1ccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2)cc1
77236 Cc1nn2c(C)c(CCC(=O)N3CCC(Cc4ccccc4)CC3)c(C)nc2c1-c1ccc(F)cc1
77237 Cc1nc2cc(nn2c(C)c1CCC(=O)N1CCN(CC1)c1ccccc1)-c1ccccc1
77238 Cc1ccc(C)c(NC(=O)c2nnc[nH]2)c1
77239 CC(C)N(Cc1nc(no1)-c1cccc(C)c1)C(=O)C(c1ccccc1)c1ccccc1
77240 COc1ccc(OC)c(NC(=O)C2CCN(Cc3cnn(c3-n3cccc3)-c3ccccc3)CC2)c1
77241 CC(C)N1CC(=O)N(C1=O)c1c(F)cc(cc1F)C#Cc1ccccc1
77242 Clc1ccccc1N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc(Br)cc1
77243 COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)CC1
77244 COc1cccc(c1)-c1nc(CS(=O)(=O)CC(=O)NC2CCCc3ccccc23)c(C)o1
77245 Cc1oc(nc1CS(=O)CC(=O)NCCC1=CCCCC1)-c1ccc(C)cc1 |t:16|
77246 Clc1ccc(cc1)S(=O)(=O)C1(CC1)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1
77247 Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)C1(CC1)S(=O)(=O)c1ccc(Cl)cc1
77248 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C(C)C)c(c1)C(F)(F)F
77249 CC(C)Oc1ccc(cc1)C(CC(=O)NCc1ccco1)c1ccc(C)cc1
77250 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C2CCOCC2)c(c1)C(F)(F)F
77251 O=C(CCn1c2ccccc2sc1=O)Nc1nc2ccccc2s1
77252 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C(=O)CN)c(c1)C(F)(F)F
77253 COc1ccccc1N1CCN(CC(O)COc2ccc3CCCc3c2)CC1
77254 CCc1ccc(CNC(=O)CCc2nc(no2)-c2cccs2)cc1
77255 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](N)C2)c(c1)C(F)(F)F |r|
77256 COc1ccc(cc1)N1CCN(CC1)C(=O)CCc1nc(no1)-c1ccc(C)cc1
77257 CCc1nnc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1
77258 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCc2c(Cl)cccc2C1
77259 COc1ccc(cc1)-c1nc(CSCC(=O)NC2CCCc3ccccc23)c(C)o1
77260 Cc1oc(nc1CN1CCC(CC1)C(=O)NCc1cccs1)-c1ccc(Cl)cc1
77261 CN(C(=O)Oc1cccc2ccc(C)nc12)c1ccc(C)cc1
77262 CCCCCCCCNC(=O)CCNC(=O)c1ccc(cc1)C(C)(C)C
77263 Cc1ccc(cc1)-c1noc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)n1
77264 Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)Cc1cn(C)c2ccccc12
77265 COc1ccccc1NC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F
77266 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77267 CCCCN(Cc1ccccc1)S(=O)(=O)c1cc(Br)cc2CC(C)N(C(C)=O)c12
77268 CSc1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1
77269 Clc1ccc(OCC(=O)NCCSc2ccccc2)cc1
77270 Cc1cc(Cl)c(cc1OCC(=O)NC1CCCCC1)S(=O)(=O)Nc1ccc2OCOc2c1
77271 Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCOCC2)cc1
77272 COc1ccc(cc1)-c1nnc(N2CCCCC2)c2ccccc12
77273 CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1)c1ccc(Cl)c(c1)C(F)(F)F
77274 CC(C)Oc1ccc(cc1)C(CC(=O)NCc1ccco1)c1ccccc1
77275 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
77276 Fc1ccc(cc1)N1CCN(CC1)C(=O)CCCOc1ccccc1
77277 Brc1ccc(o1)C(=O)Nc1cccc(c1)C(=O)c1ccccc1
77278 FC(F)(F)c1[nH]n(-c2ccccc2)c(=O)c1Sc1ccccc1
77279 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77280 CCOc1ccccc1OCCOc1ccccc1OC(C)C
77281 CCCN(CCC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
77282 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77283 COc1ccc(cc1)N1CCN(CC1)C(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
77284 CC(C)N(Cc1nc(no1)-c1ccc(C)cc1)C(=O)C(c1ccccc1)c1ccccc1
77285 Clc1ccc(s1)-c1csc(NC(=O)CSCC(=O)N2CCN(CC2)c2ccccc2)n1
77286 Cc1[nH]c2ccccc2c1SCC(=O)N1CCCc2ccccc12
77287 CCCn1cc(SCC(=O)Nc2ccc3OCOc3c2)c2ccccc12
77288 Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccc(F)cc1)C1CCCCC1
77289 Cc1cc(Oc2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1
77290 Clc1ccc(Oc2ccc(cc2S(=O)(=O)N2CCCCC2)S(=O)(=O)N2CCCCC2)cc1
77291 CC(C)c1ccc(CN(C2CCS(=O)(=O)C2)C(=O)C2COc3ccccc3O2)cc1
77292 Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1
77293 Cc1ccc(cc1)-c1nnc(N2CCN(CC2)C(=O)COc2ccccc2)c2ccccc12
77294 CCOC(=O)c1c(C)sc2Sc3ccc(Cl)cc3N(C(C)=O)c12
77295 CCCc1nc2ccccc2n1CCOc1ccccc1
77296 Cc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3)c2c1
77297 CCCn1c(NCc2c[nH]c3ccccc23)nc2ccccc12
77298 CCCCn1nnc(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)n1
77299 C(N1C(c2ccccn2)n2c(nc3ccccc23)-c2ccccc12)c1ccccc1
77300 Cc1cccc(C(=O)N2CCN(CC2)c2ccc(cn2)C(F)(F)F)c1C
77301 Clc1ccc(CSCC(=O)NCc2ccc3OCOc3c2)cc1
77302 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC(=O)OC)c(c1)C(F)(F)F |r|
77303 Clc1ccc(cc1)-c1nnc(SCC(=O)NCc2ccc3OCOc3c2)n1Cc1ccco1
77304 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC(N)=O)c(c1)C(F)(F)F |r|
77305 CC(Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)NCc1ccc2OCOc2c1
77306 Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2)cc1C
77307 CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C)nn1-c1ccccc1
77308 Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2OCOc2c1
77309 O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NCc1ccc2OCOc2c1
77310 CCC(CC)c1nnc(NC(=O)C2COc3ccccc3O2)s1
77311 CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1ccc(cc1)C(C)C
77312 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1c(C)nn(c1C)-c1ccccc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
77313 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC(=O)CN)c(c1)C(F)(F)F |r|
77314 Cc1cccc(N2CCN(CC2)C(=O)CCCSc2nc3ccccc3[nH]2)c1C
77315 CN(C)c1ccc(C=C2SC(=S)N(Nc3ncc(cc3Cl)C(F)(F)F)C2=O)cc1 |w:7.6|
77316 CCCC(C)NC(=O)c1ccc2[nH]c3CCC(C)Cc3c2c1
77317 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC)c(c1)C(F)(F)F |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;$|
77318 Clc1ccccc1NP(=O)(c1nc2CCCCc2s1)c1ccccc1
77319 CCN(CC)S(=O)(=O)c1ccc(nc1)N(C)Cc1ccc(cc1)C(F)(F)F
77320 COc1ccc(cc1)N(Cc1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)NC1=NCCS1 |t:31|
77321 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)N(C)S(C)(=O)=O)c(c1)C(F)(F)F |r|
77322 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](N)C2)c(c1)C(F)(F)F |r|
77323 Brc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
77324 CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
77325 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77326 CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccccc1
77327 O=C(CCCc1c[nH]c2ccccc12)NCc1ccc2OCOc2c1
77328 CC(Sc1nc2ccccc2c(=O)n1CC=C)C(=O)NCCC1=CCCCC1 |t:24|
77329 COc1cccc(c1)-c1nnc(SCC(=O)NCc2ccc3OCOc3c2)n1Cc1ccco1
77330 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77331 O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NCc1ccc2OCOc2c1
77332 CNC(=O)c1sc(nc1C)N1N=C2C(CCCC2=Cc2ccccc2)C1c1ccccc1 |w:18.20,c:12|
77333 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77334 Cc1ccc(Cl)cc1N1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1
77335 [O-][N+](=O)c1cc(ccc1-n1nnc2ccccc12)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
77336 CC(C)NC(C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
77337 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](N)C2)c(c1)C(F)(F)F |r|
77338 C[C@H](NC(=O)c1ccccc1Cl)C(=O)OC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1
77339 O=C(Nc1ccc2CCCc2c1)c1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccc1
77340 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77341 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77342 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77343 CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(c1)C(=O)Nc1ccccc1N1CCOCC1
77344 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](C2)NC(N)=O)c(c1)C(F)(F)F |r|
77345 CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
77346 O=C(COc1ccc(NC(=O)c2ccco2)cc1)N1CCC(Cc2ccccc2)CC1
77347 O=C(CN(C1CCCCC1)C1CCCCC1)N1CCc2ccccc2C1
77348 CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)N=NC(C#N)C#N |w:16.17|
77349 CC(C)(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1
77350 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](C2)NC)c(c1)C(F)(F)F |r|
77351 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](N)C2)c(c1)C(F)(F)F |r|
77352 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77353 FC(F)(F)c1nc(ncc1-c1nnnn1-c1ccc(Cl)cc1)N1CCCC1
77354 Cc1ccc(cc1)-n1nnnc1-c1cnc(nc1C(F)(F)F)N1CCCC1
77355 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77356 Nc1c(sc2nc(Cc3ccccc3)cc(c12)C(F)(F)F)C(=O)Nc1ccccc1F
77357 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77358 Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
77359 CN(C(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccc1
77360 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC(N)=O)c(c1)C(F)(F)F |r|
77361 CCC(SC1=N\C(=C\c2ccccc2OC)C(=O)N1c1ccccc1)C(=O)Nc1cc(C)on1 |t:4|
77362 CCn1nc(C(=O)Nc2cccc3ccccc23)c(Cl)c1Cl
77363 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC(=O)C(C)(C)N)c(c1)C(F)(F)F |r|
77364 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC)c(c1)C(F)(F)F |r|
77365 CCCN1C(=S)N\C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O
77366 Cc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1C
77367 CC1CCN(Cc2c(C)c(C)sc2NC(=O)c2ccco2)CC1
77368 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](CN)C2)c(c1)C(F)(F)F |r|
77369 CC(N1C(=O)c2ccccc2C1=O)C(=O)OCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
77370 Clc1ccccc1NC(=O)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
77371 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](CN(C)C)C2)c(c1)C(F)(F)F |r|
77372 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](CNC(C)=O)C2)c(c1)C(F)(F)F |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
77373 Cc1cccc(NC(=O)C23CCC(C)(C2Br)C3(C)C)c1
77374 Cc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
77375 O=S(Cc1cc(Oc2ccccc2)nc(n1)-c1ccccc1)c1ccccc1
77376 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](CNS(C)(=O)=O)C2)c(c1)C(F)(F)F |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
77377 Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1
77378 Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccccc2Cl)n1
77379 CCn1c(SCc2ccc(F)cc2)nnc1-c1cnn(c1C(F)(F)F)-c1ccccc1
77380 CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cnn(c1C(F)(F)F)-c1ccccc1
77381 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](CNC)C2)c(c1)C(F)(F)F |r|
77382 FC(F)(F)c1cc(c2ccc(Oc3ccccc3)nc2n1)C(F)(F)F
77383 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](CN)C2)c(c1)C(F)(F)F |r|
77384 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](CN(C)C)C2)c(c1)C(F)(F)F |r|
77385 Fc1ccc(cc1)N1CCN(CC1)c1ccc2c(cc(nc2n1)C(F)(F)F)C(F)(F)F
77386 FC(F)(F)c1cc(c2ccc(nc2n1)N1CCN(CC1)c1ccc(Cl)cc1)C(F)(F)F
77387 FC(F)(F)c1cc(NC(=O)c2ccc(Cn3cc(ccc3=O)C(F)(F)F)cc2)cc(c1)C(F)(F)F
77388 CC(C)Oc1cc(c(Cl)cc1Cl)-n1nc(nc1C)C(=O)Nc1cccc(Cl)c1C
77389 CCn1c(SCc2ccc(C)cc2)nnc1-c1cnn(c1C(F)(F)F)-c1ccccc1
77390 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](CNC(C)=O)C2)c(c1)C(F)(F)F |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;$|
77391 Cc1ccccc1NC(NC(=O)c1cccs1)C(Cl)(Cl)Cl
77392 CCOc1cc(CNc2ccccc2)cc(Br)c1OCC(=O)NC(C)(C)C
77393 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](CNS(C)(=O)=O)C2)c(c1)C(F)(F)F |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
77394 Cc1cccc(OCCCSc2nc3ccccc3[nH]2)c1
77395 Cc1c(Cl)c(nn1Cc1ccc(o1)C(=O)NN=Cc1cccc(Br)c1)[N+]([O-])=O
77396 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](CNC)C2)c(c1)C(F)(F)F |r|
77397 [H]C12CCCC([H])(CC(C1)NC(=S)Nc1ccc(CC)cc1)N2Cc1cccs1
77398 O=C(NCC1CCCO1)C(=C\c1cn(CCOc2ccccc2)c2ccccc12)\C#N
77399 Cc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccco1)C(=O)Cc1c[nH]c2ccccc12
77400 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](O)C2)c(c1)C(F)(F)F |r|
77401 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)OC)c(c1)C(F)(F)F |r|
77402 CC(C)CC(N(C(=O)Cn1nnc(n1)-c1ccc(C)cc1)c1ccccc1F)C(=O)NCC1CCCO1
77403 Cc1cccc(C)c1NC(=O)C(N1CCCCC1)c1ccc(Cl)cc1Cl
77404 COc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)cc1OC
77405 Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(c3)C#N)c(Cl)nc12
77406 CC(C(=O)Nc1c(C)cc(C)cc1C)c1cccc(c1)C(=O)c1ccccc1
77407 COc1ccc(cc1)N(C)C(=O)c1ccc2nc(-c3ccccc3)c(nc2c1)-c1ccccc1
77408 CC(SCc1ccccc1)C(=O)NN=Cc1cc2OCOc2cc1Br
77409 Clc1ccc(CSc2nnc(o2)-c2ccccc2NC(=O)c2ccccc2)cc1
77410 COc1cccc(c1)N(C(C(=O)NC(C)(C)C)c1c[nH]c2ccccc12)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
77411 FC(F)(F)c1cccc(c1)C(C#N)(N1CCOCC1)c1ncc(cc1Cl)C(F)(F)F
77412 Clc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
77413 Fc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
77414 COc1ccc(cc1)-c1c(cnn1-c1ccccc1)S(=O)(=O)c1ccccc1
77415 CC(=O)OCc1c(Oc2cccc(c2)C(F)(F)F)n(C)nc1C(F)(F)F
77416 Cc1ccc2oc3nc(C)c(cc3c(=O)c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
77417 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCCC2)c(c1)C(F)(F)F
77418 Cc1nc(sc1C(=O)Nc1cccc(c1)C(F)(F)F)-c1cccnc1
77419 COc1ccc(Sc2cc(nc(n2)-c2ccccn2)C(F)(F)F)cc1
77420 FC(F)(F)c1nnc(NC(=O)CSc2ccccc2NS(=O)(=O)c2ccccc2)s1
77421 CCOC(=O)c1cnn(c1-n1cccc1C(=O)C(=O)Nc1ccc(F)cc1)-c1ccccc1 |(3.08,7.18,;4.49,6.56,;4.65,5.03,;6.05,4.4,;6.96,3.15,;7.3,5.3,;7.3,6.84,;8.77,7.32,;9.67,6.07,;8.77,4.83,;9.24,3.36,;10.75,3.68,;11.52,2.35,;10.49,1.21,;9.08,1.83,;7.75,1.06,;6.41,1.83,;7.75,-.48,;9.08,-1.25,;6.41,-1.25,;6.41,-2.79,;5.08,-3.56,;5.08,-5.1,;6.41,-5.87,;6.41,-7.41,;7.75,-5.1,;7.75,-3.56,;11.21,6.07,;11.98,4.74,;13.52,4.74,;14.29,6.07,;13.52,7.41,;11.98,7.41,)|
77422 FC(F)(F)c1cnc(N2CCN(CC2)C(=O)CSc2ccc(Cl)cc2)c(Cl)c1
77423 Clc1ccc(cc1)S(=O)(=O)N1CCCC1c1nc2ccccc2s1
77424 COc1cc(NC(=O)CSCC(=O)Nc2cccc(c2)C(F)(F)F)c(Cl)cc1Cl
77425 CCOC(=O)c1cnn(c1-n1cccc1C(=O)C(=O)Nc1ccccc1)-c1ccccc1 |(3.89,6.08,;4.96,4.98,;4.54,3.49,;5.61,2.39,;7.1,2.76,;5.18,.91,;3.64,.91,;3.17,-.56,;4.41,-1.46,;5.66,-.56,;6.87,-1.51,;6.82,-3.05,;8.27,-3.57,;9.21,-2.36,;8.35,-1.08,;8.88,.37,;7.89,1.55,;10.4,.63,;10.92,2.08,;11.39,-.55,;12.9,-.28,;13.89,-1.46,;15.41,-1.19,;15.94,.26,;14.95,1.44,;13.43,1.17,;4.41,-3,;3.08,-3.77,;3.08,-5.31,;4.41,-6.08,;5.75,-5.31,;5.75,-3.77,)|
77426 FC(F)(F)c1cnc(CC(=O)Nc2cccc(Br)c2)c(Cl)c1
77427 CC(Oc1ccccc1)c1ccnn1S(=O)(=O)c1ccccc1
77428 CCOC(=O)C(C)Sc1cc(CS(=O)(=O)c2ccccc2)nc(n1)-c1ccccc1
77429 Cc1ccc(C)c(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c1
77430 Cc1ccc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)cc1
77431 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H]2CN)c(c1)C(F)(F)F |r|
77432 S=C(NCC1COc2ccccc2O1)NCc1ccccc1
77433 COc1ccccc1N1CCN(CC1)C(=O)C(Sc1ccccc1)c1ccccc1
77434 Cc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1
77435 Cc1cc(C)cc(NC(=S)NCCc2c[nH]c3ccccc23)c1
77436 Cc1ccccc1NS(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
77437 CCOC(=O)c1sc(NC(=O)C(CC)OC(=O)C(CC(C)C)NC(=O)c2ccccc2)nc1C
77438 Clc1ccc(CN2CCN(CC2)C(=S)NCc2ccco2)c(Cl)c1
77439 Fc1ccc(NC(=O)c2cc(cs2)S(=O)(=O)Nc2ccc(F)cc2)cc1
77440 Cc1ccc(SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
77441 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H]2CN(C)C)c(c1)C(F)(F)F |r|
77442 Cc1cccc(OCCCSc2nc3ccc(C)cc3[nH]2)c1
77443 [H]C12CCC([H])(C1)C1C2C(=O)N(C(Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)C1=O |TLB:31:7:6:3.2,THB:9:8:6:3.2|
77444 CCCC(=O)N1CCN(CC1)c1ccc(c(NC(C)c2ccccc2)c1)[N+]([O-])=O
77445 CCN(CC)c1ccc(\C=C\c2nc3ccccc3s2)cc1
77446 Cc1ccccc1CSCCNC(=O)CCSc1ccccc1
77447 Oc1cc(SCCc2nc3ccccc3[nH]2)c(O)n1-c1ccc(Cl)cc1
77448 Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1
77449 O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
77450 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)CCSc1ccc(Cl)c(Cl)c1 |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
77451 Cc1ccc2nc(SCCCCOc3ccccc3)[nH]c2c1
77452 Clc1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)cc1
77453 Cc1ccc2nc(SCc3ccc(cc3)[N+]([O-])=O)[nH]c2c1
77454 Cc1ccccc1NC(=O)C(=C\c1ccccc1)\c1ccccc1
77455 FC(F)(F)c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
77456 Cc1ccc(SCCC(=O)NCCSCc2ccccc2C)cc1
77457 Clc1ccc(CSCCNC(=O)\C=C\c2ccc3OCOc3c2)c(Cl)c1
77458 Cc1ccc(C)c(OCCCCn2cnc3ccccc3c2=O)c1
77459 CC(CC(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1
77460 CCC(C(=O)Nc1cccc(c1)C(F)(F)F)c1ccccc1
77461 Cc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
77462 CCc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
77463 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H]2CN(C)C)c(c1)C(F)(F)F |r|
77464 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](CN)C2)c(c1)C(F)(F)F |r|
77465 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NCCSc1c[nH]c2ccccc12
77466 COc1ccc(cc1C)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCCc1c[nH]c2ccccc12
77467 Cc1ccc(CNC(=O)C(=O)NCC2OCCN2S(=O)(=O)c2ccc3OCCOc3c2)cc1
77468 CCC(=O)C1=C(CC(CC1=O)c1ccccc1)NCCc1c(C)[nH]c2ccc(C)cc12 |t:4|
77469 C[C@H]([C@@H]1C[C@@]1(C)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc2ccccc2c1
77470 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](CN(C)C)C2)c(c1)C(F)(F)F |r|
77471 COc1ccc(CCNC(=O)C2CCCN(Cc3nc(oc3C)-c3cccc(Cl)c3)C2)cc1OC
77472 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](CNC(C)=O)C2)c(c1)C(F)(F)F |r|
77473 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(c1)C(F)(F)F |r|
77474 Cc1oc(nc1CS(=O)CC(=O)NCCCSC1CCCCC1)-c1cccc(C)c1
77475 O=C(Nc1ccc2OCOc2c1)C1CCN(Cc2cnn(c2-n2cccc2)-c2ccccc2)CC1
77476 COc1ccc(cc1)-c1nc(CS(=O)(=O)CC(=O)NCCc2cc(OC)ccc2OC)c(C)o1
77477 COc1ccc(OC)c(CCNC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2ccc(C)cc2)c1
77478 Cc1ccc(cc1)-n1c(Cc2cccn2C)nnc1SCC(=O)Nc1ccc2OCOc2c1
77479 Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c(C)c1
77480 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(cc(N)n1)N1CCOCC1
77481 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](CNC(=O)CN)C2)c(c1)C(F)(F)F |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;$|
77482 Cc1ccc2OC(CC(=O)NCCCN3CCN(CC3)c3cc(Cl)ccc3C)C(=O)Nc2c1
77483 CCn1c(cc2sccc12)C(=O)N1CCC(CC1)C(=O)NCCCSC1CCCCC1
77484 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](CN(C)C)C2)c(c1)C(F)(F)F |r|
77485 CCN(CC)S(=O)(=O)c1cccc(c1)-c1nnc(SCCOc2ccccc2C)o1
77486 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](CNC(C)=O)C2)c(c1)C(F)(F)F |r|
77487 Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2[nH]1
77488 C=CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCCCCC1
77489 COc1cc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(oc2C)-c2ccc(C)cc2)cc1Cl
77490 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](CNS(C)(=O)=O)C2)c(c1)C(F)(F)F |r|
77491 O=C(NCc1ccc2OCOc2c1)C1CCN(Cc2cnn(c2-n2cccc2)-c2ccccc2)CC1
77492 COc1cccc(CNC(=O)C2CCN(Cc3cnn(c3-n3cccc3)-c3ccccc3)CC2)c1
77493 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCNCC2)c(OC(F)(F)F)c1
77494 CCCCOn1c(C)c(C(=O)OCC)c2c1ccc1nonc21
77495 COC(=O)C1=C(CCS1)NC(=O)c1cccc(OC)c1 |t:4|
77496 Cc1ccc(o1)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 |c:21|
77497 CC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
77498 CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(Br)o2)ccc2ccccc12 |c:6|
77499 COc1ccccc1Nc1nc2c(C)cccc2cc1C#N
77500 Cc1ccc(C)c(c1)N(CC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1)S(C)(=O)=O
77501 COc1ccc(cc1)C1=NC(=O)\C(O1)=C/c1cc(OC)c(OC)c(OC)c1 |t:9|
77502 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1
77503 NS(=O)(=O)c1ccc2n(CC=C)\c(=N\C(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1
77504 Oc1n(-c2ccccc2)c(=O)c2c([nH]n(-c3ccccc3)c12)-c1ccccc1
77505 CCN(CC)c1ccc(C=NNC(=S)NCc2ccco2)cc1 |w:10.10|
77506 CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1
77507 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccc(C)cc1
77508 CC1(C)Cc2c(CO1)c(nc1sc(C(=O)Nc3ccccc3)c(N)c21)N1CCCC1
77509 COc1ccc(cc1)-c1sc2ccc(OC)cc2c1C#Cc1ccccn1
77510 COc1ccc(cc1)-c1cc(N2CCCC2)n2ncnc2n1
77511 CCOC(=O)c1cn(CC)c2cc(N3CCSCC3)c(F)cc2c1=O
77512 O=C(CSc1nc2ccccc2o1)Nc1ccc(cc1)N1CCOCC1
77513 CCCS(=O)(=O)N1CCC(CC1)C(=O)NCc1ccccc1Cl
77514 COc1ccc(OCC(O)CNc2ccc(Br)cc2)cc1
77515 C(Sc1nc2ccccc2[nH]1)c1cc(no1)-c1ccccc1
77516 Clc1ccc(cc1)C(=O)CSc1ncnc2nc[nH]c12
77517 CCOC(=O)c1cn(CC)c2cc(N3CCOCC3)c(F)cc2c1=O
77518 CC(C)Oc1ccc(Cc2cnc(N)nc2N)cc1
77519 COc1ccc(NN=C(N=Nc2nc(C)cc(=O)[nH]2)c2ccccc2)cc1 |w:7.6,9.8|
77520 CC(=O)c1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1
77521 CCCCCOc1ccc(CSC(N)=N)cc1[N+]([O-])=O
77522 Clc1cccc(Cn2ccc(-c3ccccc3)c(C#N)c2=O)c1
77523 Clc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1
77524 Cc1cccnc1NC(=O)c1ccc(o1)[N+]([O-])=O
77525 CC(C(=O)NCc1ccco1)n1nc(c(Br)c1C)[N+]([O-])=O
77526 Clc1cc(NC(=O)CSc2nc3ccccc3s2)ccc1N1CCOCC1
77527 Cc1cc(N=NCc2ccc(O)cc2O)nc(n1)-c1ccccc1O |w:4.3|
77528 Nc1c(Cl)ncnc1N=NCc1ccc2ccccc2n1 |w:8.8|
77529 CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
77530 Oc1c(CC=C)cccc1C=NNC(=O)CCC(=O)Nc1ccc(F)cc1 |w:11.12|
77531 Cc1cc(nn1Cc1ccc(cc1)C(=O)N\[NH+]=C\c1ccc([O-])cc1O)[N+]([O-])=O
77532 Cc1onc(c1C(=O)NC(=S)NNC(=O)c1ccccc1O)-c1ccccc1
77533 Cc1cccc(Nc2nnc(SCc3cn4ccccc4n3)s2)c1
77534 ON1C(Nc2ccccc2C1=O)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
77535 COc1cccc(CN=Nc2ncnc(Cl)c2N)c1O |w:8.7|
77536 COc1ccc(Nc2nnc(SCc3cn4c(C)cccc4n3)s2)cc1
77537 [O-][N+](=O)c1nn(Cc2ccc(o2)C(=O)NN=Cc2cccc(Cl)c2)cc1Br
77538 Cc1cc(Cl)ccc1NC(=S)NCc1ccccc1Cl
77539 Cc1c(Cl)cccc1NC(=S)NCc1ccccc1Cl
77540 CCOC(=O)c1ccc(NC(=O)Cn2cnc3cc(C)c(C)cc23)cc1
77541 OC(=O)c1cn(-c2ccc(N3CCCC3)c(F)c2)c2c(F)c(F)c(F)cc2c1=O
77542 CCn1nnc(NC(=O)c2ccc(o2)[N+]([O-])=O)n1
77543 CCCCC(=O)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
77544 CCOc1cccc(C=NNC(=O)c2cc(n[nH]2)-c2cccn2C)c1O |w:9.9|
77545 CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)cc1
77546 CCNc1c([N+]([O-])=O)c(=O)oc2ccccc12
77547 Cc1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
77548 [O-][N+](=O)c1ccc(o1)C(=O)N1CCOCC1
77549 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ncccn1
77550 CCN1\C(=C\c2ccc3ccccc3[n+]2CC=C)C=Cc2cc(C)ccc12 |c:20|
77551 CC(Sc1ccsc1[N+]([O-])=O)C(=O)NCc1ccco1
77552 O=c1nncc(N=NCc2ccccn2)[nH]1 |w:6.5|
77553 OC(=O)c1cccc(NC(=S)NN=Cc2ccccn2)c1 |w:12.11|
77554 COc1c(O)c(O)c2oc(cc(=O)c2c1OC)-c1ccccc1
77555 Cc1ccc(NC(=O)Cn2cnc3ccccc23)cc1C
77556 FC(F)Oc1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1
77557 [O-][N+](=O)c1ccc(o1)C(=O)OCC(=O)c1cccs1
77558 CCOc1ccc(NC(=S)NCc2nc3ccccc3[nH]2)cc1
77559 [O-][N+](=O)c1ccc(\C=N\NC(=O)CCN2CCN(CC2)c2ccccc2)o1
77560 Cc1cc(N=NCc2ccc(o2)[N+]([O-])=O)nc2ccccc12 |w:4.3|
77561 CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
77562 ON1CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O
77563 CC(=O)N([N-][CH+]c1ccc(o1)[N+]([O-])=O)c1nc2ccccc2c(=O)n1-c1ccccc1
77564 Cc1cc2OC(=[NH2+])[C-](C#N)C(c3ccc(o3)[N+]([O-])=O)c2c(=O)o1
77565 CC(N=Nc1ccc2nncn2n1)c1ccccn1 |w:3.3|
77566 CCOC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)[N+]([O-])=O |c:7,9|
77567 CCCCOc1ccc(Cc2cnc(N)nc2N)cc1
77568 Cc1ccc(CNC(=O)c2ccc3c(O)c(O)c(nc3c2)-c2ccc(C)cc2)cc1
77569 CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1ccccc1C(F)(F)F
77570 [O-][N+](=O)c1cnc(Sc2n[nH]c(=O)n2CC=C)s1
77571 Fc1ccc(Nc2nnc(s2)C(F)(F)F)cc1Cl
77572 Cc1onc(c1C(=O)ON=C(N)c1ccc(o1)[N+]([O-])=O)-c1ccccc1 |w:9.9|
77573 NC(=NOC(=O)c1ccccc1Cl)c1ncc(s1)[N+]([O-])=O |w:2.2|
77574 CC(N=Nc1nc(O)c(CC(O)=O)s1)c1ccccn1 |w:3.3|
77575 NC(=NOC(=O)c1ccc(Cl)cc1)c1ncc(s1)[N+]([O-])=O |w:2.2|
77576 CCOC(=O)c1cn(C2CC2)c2c(F)c(NCCCN(C)C)c(F)cc2c1=O
77577 CC(=O)NC(c1ccc2ccccc2c1)c1ccc2cccnc2c1O
77578 CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
77579 CC(C)c1ccc(cc1)C(NC(C)=O)c1ccc2cccnc2c1O
77580 CC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
77581 CCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
77582 CC(C)C(=O)NC(c1cccc(c1)[N+]([O-])=O)c1ccc2cccnc2c1O
77583 CC(=O)Nc1ccc2nc(NC(=O)c3ccc(o3)[N+]([O-])=O)sc2c1
77584 Oc1cc2ccccc2cc1C(=O)NNC(=O)CCC1CCCC1
77585 CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(COc2c(C)cccc2C)on1
77586 O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(cc1)N1CCOCC1
77587 OC(=O)c1ccc(cc1)N=NC=CCc1ccc(o1)[N+]([O-])=O |w:9.9,12.13|
77588 Oc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
77589 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
77590 Oc1ccc2ccccc2c1C=NNC(=O)c1ccc(Br)o1 |w:12.14|
77591 CCC(C)NC(=O)c1cn(CC)c2cc(N3CCN(CC3)C(=O)c3ccco3)c(F)cc2c1=O
77592 COc1ccccc1\C=C1/SC(=S)N(CCC(=O)NNC(=O)c2ccccc2O)C1=O
77593 COc1cc(NC(=O)c2ccc(o2)[N+]([O-])=O)ccc1NC(=O)c1ccco1
77594 Oc1cc2ccccc2cc1C(=O)NNC(=O)Nc1ccc(Br)cc1
77595 CCCn1c(NC(=O)c2ccc(o2)[N+]([O-])=O)nc2ccccc12
77596 Oc1ccccc1C(=O)NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F
77597 CCOc1ccc2oc(C(=O)NNC(=O)c3ccccc3O)c(C)c2c1
77598 NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc(o1)[N+]([O-])=O
77599 [O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(cs1)-c1cccs1
77600 O=C(Cn1cnc2ccccc12)Nc1ccc2OCCCOc2c1
77601 COc1ccc2nc(NC(=O)CCNC(=O)c3ccco3)sc2c1
77602 [O-][N+](=O)c1ccc(o1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
77603 COc1ccc(NC(=O)CSc2nnc(o2)-c2ccc(F)cc2)cn1
77604 ON1C(Nc2ccccc2C1=O)c1ccc(o1)-c1ccc(cc1)C(F)(F)F
77605 CCC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O
77606 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23|
77607 [O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc3OCOc3c2)o1
77608 CSc1nc(N)nc2n(CC(=O)Nc3ccc(C)c(C)c3)cnc12
77609 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(O)=O
77610 O=C1NCC2=Nc3ccccc3NC(C12)c1ccccc1 |t:4|
77611 NNC(=O)C(\NC(=O)c1ccccc1)=C/c1ccco1
77612 Oc1c(C=O)c2ccccc2c2ccccc12
77613 CC(=O)c1cc(c(Sc2ccc(Cl)cc2)s1)[N+]([O-])=O
77614 Cn1c(NCc2ccc(F)cc2)ncc1-c1ccc(F)cc1
77615 O=C(Cc1ccccc1)Nc1ccccc1Sc1ccccc1
77616 NC(=NC1CCCCC1)c1ccc(Cl)cc1 |w:2.2|
77617 Cc1cc(nc2ccccc12)N1CCCCC1
77618 CC1CCN(CC1)c1cc(C)c2ccccc2n1
77619 Cc1cc(nc2ccccc12)N1CCOCC1
77620 Cc1cc(nc2ccccc12)N1CCCC1
77621 C[C@H]1CCCN1c1cc(C)c2ccccc2n1
77622 Cc1cc(nc2ccccc12)N1CCN(CC1)c1ccncc1
77623 Cc1ccc2nc(cc(C)c2c1)N1CCCCC1
77624 Cc1ccc2nc(cc(C)c2c1)N1CCCC1
77625 CCc1ccc2nc(cc(C)c2c1)N1CCCC1
77626 Cc1cc(nc2ccc(F)cc12)N1CCCCC1
77627 CCc1ccc2oc(nc2c1)-c1cc(N)ccc1Cl
77628 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(C)CC2)c(OC(F)(F)F)c1
77629 Cc1ccn2cc(nc2c1)C(=O)Nc1ccc2OCCOc2c1
77630 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C(C)C)c(OC(F)(F)F)c1
77631 O=C(Nc1ccc2oc(nc2c1)-c1ccccc1)c1cccnc1
77632 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C2CCOCC2)c(OC(F)(F)F)c1
77633 [#16]-[#6]-1=[#7]-[#6](=O)\[#6](-[#16]-1)=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |t:1|
77634 CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O
77635 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](N)C2)c(OC(F)(F)F)c1 |r|
77636 Brc1ccc(o1)-c1nc2ccc(NC(=O)c3ccco3)cc2[nH]1
77637 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](N)C2)c(OC(F)(F)F)c1 |r|
77638 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@H](N)C2)c(OC(F)(F)F)c1 |r|
77639 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)N(C)C)c(OC(F)(F)F)c1 |r|
77640 O=C(Nc1nc(-c2cccs2)c(s1)-c1ccccc1)c1ccco1
77641 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC(C)=O)c(OC(F)(F)F)c1 |r|
77642 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NS(C)(=O)=O)c(OC(F)(F)F)c1 |r|
77643 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC(N)=O)c(OC(F)(F)F)c1 |r|
77644 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC(=O)CN)c(OC(F)(F)F)c1 |r|
77645 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](C2)NC)c(OC(F)(F)F)c1 |r|
77646 O=C(Nc1nsc(n1)-c1ccccc1)c1cccs1
77647 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCC[C@@H](N)C2)c(OC(F)(F)F)c1 |r|
77648 CCOC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1
77649 COc1cccc(CNn2c(nc3ccccc3c2=O)-c2cccc(C)c2)c1O
77650 CC(C)(C)c1ccc(OCC(=O)NCc2ccco2)c(Br)c1
77651 Cc1nc2ccc(cc2[nH]1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
77652 O=C1N(C(=O)c2ccccc12)c1nc(cs1)-c1cccs1
77653 Cc1cc(C)nc(SCC(=O)c2cc3ccccc3oc2=O)n1
77654 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](CN)C2)c(OC(F)(F)F)c1 |r|
77655 Cc1ccc(cc1)-c1nnc(N2CCN(CC2)c2ccccn2)c2ccccc12
77656 CCCn1nnc(NC(=O)c2sc3ccccc3c2Cl)n1
77657 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](CN)C2)c(OC(F)(F)F)c1 |r|
77658 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCNCC2)c(c1)C(F)(F)F
77659 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCN(C)CC2)c(c1)C(F)(F)F
77660 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCN(CC2)C(C)C)c(c1)C(F)(F)F
77661 Cn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
77662 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCN(CC2)C2CCOCC2)c(c1)C(F)(F)F
77663 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@@H](N)C2)c(c1)C(F)(F)F |r|
77664 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77665 CC1N(CCc2c1[nH]c1ccccc21)C(=O)Nc1ccccc1
77666 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77667 Clc1ccc(s1)C(=O)Nc1nccs1
77668 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)OCn1nnc2ccccc2c1=O
77669 COc1ccccc1C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
77670 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77671 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@H](C2)NC(N)=O)c(c1)C(F)(F)F |r|
77672 CC(C)(C)c1csc(NC(=O)c2ccc(Cl)s2)n1
77673 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77675 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77676 CC1(C)CC(CCO1)n1c(NCCO)nc2-c3ccccc3CC3(CCCC3)c2c1=O
77677 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77678 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](C2)NC(N)=O)c(c1)C(F)(F)F |r|
77679 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@H](C2)NC(=O)CN)c(c1)C(F)(F)F |r|
77680 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)N(C)C)c(c1)C(F)(F)F |r|
77681 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(C)=O)c(c1)C(F)(F)F |r|
77682 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NS(C)(=O)=O)c(c1)C(F)(F)F |r|
77683 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(N)=O)c(c1)C(F)(F)F |r|
77684 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(=O)CCN)c(c1)C(F)(F)F |r|
77685 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(=O)C(C)(C)N)c(c1)C(F)(F)F |r|
77686 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(=O)CN)c(c1)C(F)(F)F |r|
77687 COc1ccc(cc1)C1=c2cc(OC)ccc2=NC(=NN1)c1cccs1 |c:9,18,20|
77688 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CC[C@@H](CN)C2)c(c1)C(F)(F)F |r|
77689 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCC[C@@H](N)C2)c(c1)C(F)(F)F |r|
77690 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCNCC2)c(OC(F)(F)F)c1
77691 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCN(C)CC2)c(OC(F)(F)F)c1
77692 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCN(CC2)C(C)C)c(OC(F)(F)F)c1
77693 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCN(CC2)C2CCOCC2)c(OC(F)(F)F)c1
77694 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCNCC2)c(OC(F)(F)F)c1
77695 CC(C)Cn1cnc2n(Cc3ccco3)c(c(-c3ccccc3)c2c1=N)-c1ccccc1
77696 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CC[C@@H](N)C2)c(OC(F)(F)F)c1 |r|
77697 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)N(C)C)c(OC(F)(F)F)c1 |r|
77698 CN(C)\C=C1\C=C(OC1=O)c1ccccc1 |c:5|
77699 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NS(C)(=O)=O)c(OC(F)(F)F)c1 |r|
77700 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(C)=O)c(OC(F)(F)F)c1 |r|
77701 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)c(CN2CCC[C@@H](C2)NC(=O)CN)c(OC(F)(F)F)c1 |r|
77702 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCNCC2)c(Br)c1
77703 Cn1c(n[nH]c1=S)-c1sc2ccccc2c1Cl
77704 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(C)CC2)c(Br)c1
77705 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C(C)C)c(Br)c1
77706 Cc1ccc(s1)C(=O)Nc1nc(cs1)C(C)(C)C
77707 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C2CCOCC2)c(Br)c1
77708 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@@H](N)C2)c(Br)c1 |r|
77709 ClC(Cl)(Cl)c1cc(=O)c2ccc3ccccc3c2o1
77710 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)N(C)C)c(Br)c1 |r|
77711 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC(C)=O)c(Br)c1 |r|
77712 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NS(C)(=O)=O)c(Br)c1 |r|
77713 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)NC)c(Br)c1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
77714 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CC[C@H](C2)N(C)S(C)(=O)=O)c(Br)c1 |r|
77715 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCNCC2)c(Cl)c1
77716 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(C)CC2)c(Cl)c1
77717 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C(C)C)c(Cl)c1
77718 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(CC2)C2CCOCC2)c(Cl)c1
77719 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCNCC2)c(Br)c1
77720 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCN(C)CC2)c(Br)c1
77721 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCN(CC2)C(C)C)c(Br)c1
77722 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)c(CN2CCN(CC2)C2CCOCC2)c(Br)c1
77723 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCNCC2)cc(OC(F)(F)F)c1
77724 [O-][N+](=O)c1ccc(\C=N\NC(=O)c2cccnc2)s1
77725 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCN(C)CC2)cc(OC(F)(F)F)c1
77726 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCN(CC2)C(C)C)cc(OC(F)(F)F)c1
77727 COc1cc2COC(=O)\C(=C/c3ccc(Cl)cc3)c2cc1OC
77728 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCN(CC2)C2CCOCC2)cc(OC(F)(F)F)c1
77729 CCN1CCN(Cc2cc(OC(F)(F)F)cc(c2)C(=O)NCc2cc(Cl)ccc2S(=O)(=O)CC)CC1
77730 Cc1cc2cc(CNC(=O)c3ccc(C)c(c3)[N+]([O-])=O)ccc2[nH]1
77731 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCNCC2)cc(c1)C(F)(F)F
77732 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F
77733 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCN(CC2)C(C)C)cc(c1)C(F)(F)F
77734 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(CN2CCN(CC2)C2CCOCC2)cc(c1)C(F)(F)F
77735 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(CN2CCNCC2)c1
77736 C(C=CN=Nc1nc2ccccc2[nH]1)c1ccccc1 |w:4.4,1.0|
77737 Cc1cc(C(=O)Nc2ccc(C)cc2)c(C)n1-c1ccccc1
77738 COc1ccc(\C=C\C(=O)Nc2ccc3CCCc3c2)cc1OC
77739 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(CN2CCN(C)CC2)c1
77740 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(CN2CCN(CC2)C(C)C)c1
77741 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(CN2CCN(CC2)C2CCOCC2)c1
77742 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cc(CN2CCNCC2)c1
77743 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cc(CN2CCN(C)CC2)c1
77744 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cc(CN2CCN(CC2)C(C)C)c1
77745 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Cl)cc(CN2CCN(CC2)C2CCOCC2)c1
77746 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(c1)N1CCNCC1
77747 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(c1)N1CCN(C)CC1
77748 O=C1OC(=N\C1=C/C=C/c1ccco1)c1ccccc1 |c:3|
77749 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(c1)N1CCN(CC1)C(C)C
77750 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(Br)cc(c1)N1CCN(CC1)C1CCOCC1
77751 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(cc(c1)C(F)(F)F)N1CCNCC1
77752 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(cc(c1)C(F)(F)F)N1CCN(C)CC1
77753 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(cc(c1)C(F)(F)F)N1CCN(CC1)C(C)C
77754 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(cc(c1)C(F)(F)F)N1CCN(CC1)C1CCOCC1
77755 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CCNCC1
77756 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(OCc2ccccc2)cc(n1)N1CCOCC1
77757 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CCN(C)CC1
77758 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CCN(CC1)C(C)C
77759 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CCN(CC1)C1CCOCC1
77760 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(C#N)c(c1)N1CCOCC1
77761 COc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:16|
77762 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cnc(OC(F)F)c(c1)N1CCOCC1
77763 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC(F)F)c(c1)N1CCOCC1
77764 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cnc(OC(F)F)c(c1)N1CCOCC1
77765 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)O)cc1-c1cnc(OC(F)F)c(c1)N1CCOCC1
77766 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OCC(F)F)c(c1)N1CCOCC1
77767 O=C(NN=C\C=C/c1ccco1)c1cccs1
77768 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cnc(OCC(F)F)c(c1)N1CCOCC1
77769 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)ccc1C
77770 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)-c2nnco2)ccc1C
77771 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)F)ccc1C
77772 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)S(C)(=O)=O)ccc1C
77773 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)ccc1C
77774 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cc(c(=O)n(CC)c2)C(F)(F)F)ccc1C
77775 O=C(Nc1ccc(cc1)-c1cn2ccccc2n1)c1cccs1
77776 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CC[C@H](N)C1 |r|
77777 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)ccc1C
77778 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)F)ccc1C
77779 COC(=N)C(N=Cc1ccccc1Cl)C#N |w:5.4|
77780 CCOc1ncc(cc1N1CCOCC1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)S(C)(=O)=O
77781 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cnc1C
77782 O=c1c2ccccc2nc2c3ccccc3cnn12
77783 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)O)cnc1C
77784 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cc(c(=O)n(CC)c2)C(F)(F)F)cnc1C
77785 Cc1ccc(cc1)-c1nn(cc1NC(=O)CCl)-c1ccccc1
77786 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)S(C)(=O)=O)cnc1C
77787 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)S(C)(=O)=O)cnc1C
77788 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)-c2nnco2)cnc1C
77789 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cc(on2)C2CC2)cnc1C
77790 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)cnc1C
77791 [O-][n+]1ccccc1SCC(=O)Nc1ccccc1Oc1ccccc1
77792 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)F)cnc1C
77793 Cc1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1
77794 CSc1nnc(c(=O)n1N=Cc1ccccc1)C(C)(C)C
77795 Clc1ccc(\C=C(/C#N)C(=O)Nc2cccnc2)cc1
77796 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
77797 CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cnc(C)c(c1)-c1cnc(C#N)c(c1)N1CCOCC1
77798 Brc1ccc(C=NNC(=O)c2cccs2)s1
77799 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cnc(C#N)c(c1)N1CCOCC1
77800 CCC(C)C(=O)Nc1nc2ccc(OC)cc2s1
77801 CC(C)c1cc(ccn1)C(=O)Nc1cnc(C)c(c1)-c1cnc(C#N)c(c1)N1CCOCC1
77802 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)C)cnc1C
77803 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)F)cnc1C
77804 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C2CC2)cnc1C
77805 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C2COC2)cnc1C
77806 [#7]S(=O)(=O)c1ccc(-[#7]\[#6]=[#6]-2\[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6](=O)-[#7](-[#6]-3-[#6]-[#6]-[#6]-[#6]-[#6]-3)-[#6]-2=O)cc1
77807 CCOc1ncc(cc1N1CCOCC1)-c1cc(ccc1C)C(=O)Nc1cc(ccc1F)C(C)=C
77808 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCN(CC)CC2)cnc1C
77809 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cc(CN(C)C)cc(c2)C(F)(F)F)cnc1C
77810 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1C
77811 O=C(Nc1ccc(cc1)-c1cn2CCSc2n1)c1ccco1
77812 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cnc1Cl
77813 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)cnc1Cl
77814 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)F)cnc1Cl
77815 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1Cl
77816 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cnc1Cl
77817 Clc1ccccc1\C=C\C(=O)Nc1ccccc1
77818 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cnc1C
77819 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cnc1C
77820 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)cnc1C
77821 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)F)cnc1C
77822 CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cnc(C)c(c1)-c1cnc(N(C)C)c(c1)N1CCOCC1
77823 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1C
77824 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C2CC2)cnc1C
77825 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77826 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77827 Cc1ccc(NC(=O)c2ccnc(c2)S(C)(=O)=O)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77828 Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77829 Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77830 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)O)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77831 Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1C2CCC1COC2
77832 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1C2CCC1COC2
77833 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)ccc1C
77834 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)F)cnc1C
77835 Fc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
77836 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1
77837 CCOc1ncc(cc1N1C2CCC1COC2)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1C
77838 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cnc1C
77839 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(C)(C)C#N)ccc1C
77840 CCOc1ncc(cc1N1CCOC[C@H]1C)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1C |r|
77841 CCOc1ncc(cc1N1CCOC[C@@H]1C)-c1cc(NC(=O)c2cnnc(c2)C(F)(F)F)cnc1C |r|
77842 Cc1ccc(cc1)S(=O)(=O)N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O
77843 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(C)(C)C#N)cnc1C
77844 Cc1ncc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cc1-c1cnc(Cl)c(c1)N1CCOCC1
77845 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cnc(Cl)c(c1)N1CCOCC1
77846 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc(Cl)c(c1)N1CCOCC1
77847 Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(Cl)c(c1)N1CCOCC1
77848 Cc1ncc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cnc(Cl)c(c1)N1CCOCC1
77849 Cc1ncc(NC(=O)c2cnnc(c2)C(C)(C)C#N)cc1-c1cnc(Cl)c(c1)N1CCOCC1
77850 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cncc(c1)N1CCOCC1
77851 Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cncc(c1)N1CCOCC1
77852 Cc1ncc(NC(=O)c2cnnc(c2)C(C)(C)C#N)cc1-c1cncc(c1)N1CCOCC1
77853 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cncc(c1)N1CCOCC1
77854 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc(F)c(c1)N1CCOCC1
77855 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cnc(OCCO)c(c1)N1CCOCC1
77856 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cnc(OCCO)c(c1)N1CCOCC1
77857 Cc1ncc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cnc(OCCO)c(c1)N1CCOCC1
77858 CCn1c(nc2ccccc12)N1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1
77859 Cc1ccc(NC(=O)c2cnnc(c2)C2(CC2)C#N)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77860 CCOc1ncc(cc1N1CCOC[C@H]1C)-c1cc(NC(=O)c2cnnc(c2)C(C)(C)C#N)cnc1C |r|
77861 Oc1ccccc1C1=NNC(S1)c1ccccc1 |t:8|
77862 CCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cnnc(c2)C(C)(C)F)ccc1C
77863 CCNC1=N[C@H]2[C@@H](S1)S[C@H](C(F)F)[C@@H](O)[C@@H]2O |r,t:3|
77865 CCOc1ncc(cc1N1CCOCC1)-c1cc(ccc1C)C(=O)Nc1ccnc(c1)C(F)(F)F
77866 CN(C)c1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
77867 CC(C)c1cc(ccn1)C(=O)Nc1cnc(C)c(c1)-c1cnc(N(C)C)c(c1)N1CCOCC1
77868 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1=O
77869 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O[C@H]2CCOC2)c(c1)N1CCOCC1 |r|
77870 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(O[C@@H]2CCOC2)c(c1)N1CCOCC1 |r|
77871 COCCOc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
77872 CC(C)c1cc(ccn1)C(=O)Nc1cnc(C)c(c1)-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77873 Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77874 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2COC2)c(c1)N1CCOCC1
77875 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CCCC(O)C2)c(c1)N1CCOCC1
77876 CN1CC(C1)Oc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1C
77877 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CC3(COC3)C2)c(c1)N1CCOCC1
77878 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(C)C)cnc1C
77879 COc1ncc(cc1N1CCOCC1)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)cnc1C
77880 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(OC2CNC2)c(c1)N1CCOCC1
77881 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(c(c1)N1CCOCC1)C(C)(C)C#N
77882 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cnc(CS(C)(=O)=O)c(c1)N1CCOCC1
77883 CN(C(=O)c1cccc(c1)C(F)(F)F)c1cnc(C)c(c1)-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77884 CCN(C(=O)c1cccc(c1)C(F)(F)F)c1cnc(C)c(c1)-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77885 CCCN(C(=O)c1cccc(c1)C(F)(F)F)c1cnc(C)c(c1)-c1cnc(OC2CCOCC2)c(c1)N1CCOCC1
77886 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CC[C@@H](C1)NC(C)=O |r|
77887 Cc1csc2nc(C)c(c(=O)n12)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
77888 Cc1csc2nc(C)c(c(=O)n12)S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1
77889 CCn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cnc1C
77890 Cc1ncc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1
77891 Cc1ccc(OCc2cc(no2)C(=O)NC2CCCCC2)cn1
77892 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1
77893 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1
77894 Cc1ccc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CCC#N)c1
77895 Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1
77896 Brc1cccc(c1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
77897 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(CC2(C)COC2)c1
77898 COc1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77899 Cc1ccc(NC(=O)c2cccc(OC(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77900 CCC(F)(F)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77901 CCOc1cc(ccc1F)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77902 CC(C)Oc1cccc(c1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77903 Cc1ccc(NC(=O)c2cccc(c2Cl)C2(CC2)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77904 Cc1ccc(NC(=O)c2ccccc2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77905 Clc1ccc2occ(C=NNC(=O)c3ccncc3)c(=O)c2c1
77906 CC(C)c1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77907 COc1cc(ccc1O)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
77908 Cc1ccc(NC(=O)c2cccc(c2)-c2nnco2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77909 Oc1cc(O)cc(c1)C(=O)NN=Cc1coc2ccc(Cl)cc2c1=O
77910 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)O)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77911 Cc1ccc(NC(=O)c2cccc(c2)C(C)(C)S(C)(=O)=O)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77912 Cc1ccc(NC(=O)c2cccc(c2)C2COC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77913 CCc1cc(ccn1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77914 Cc1ccc(NC(=O)c2ccnc(c2)C2CC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77915 Cc1ccc(NC(=O)c2ccnc(c2)C(C)(C)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77916 Cc1ccc(NC(=O)c2ccnc(c2)C2COC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77917 Cc1ccc(NC(=O)c2ccnc(c2)C2(CC2)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77918 CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1cc(OC(F)(F)F)cc(c1)N1CC[C@@H](C1)NS(C)(=O)=O |r|
77919 Cc1ccc(NC(=O)c2cccc(CC#N)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77920 CCOC(=O)c1ccc(NC(=O)CSc2nc3c(C)cccn3c(=O)n2)cc1
77921 Cc1ccc(NC(=O)c2cnnc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77922 Cc1ccc(NC(=O)c2cnnc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77923 Cc1ccc(NC(=O)c2cnnc(c2)C2CC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77924 Cc1ccc(NC(=O)c2cnnc(c2)C(C)(C)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77925 Cc1ccc(NC(=O)c2cc(ccn2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77926 CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc3OCOc3c2)c(=O)[nH]c1=O
77927 CC(C)CN(C(=O)c1ccc2OCCOc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
77928 CCn1cc(C(=O)Nc2ccc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)c(C)n1
77929 [H][C@]12COc3ccccc3[C@]1([H])N1C(=O)c3cc(Cl)ccc3NC(=O)[C@@]1(C)[C@H]2c1ccccc1
77930 Cc1nn(C)cc1C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77931 CC(C)n1cc(C(=O)Nc2ccc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)c(C)n1
77932 Cc1ccc(NC(=O)c2cc(nn2C)C2CC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77933 Cc1ccc(NC(=O)c2cc(nn2C)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77934 CC(C)c1cc(no1)C(=O)Nc1ccc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77935 CCCN(C(=O)c1ccc(c(C)c1)[N+]([O-])=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
77936 Cc1ccc(NC(=O)c2cc(on2)C2CC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77937 CCn1cc(C(=O)Nc2cnc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)c(C)n1
77938 Cc1nn(C)cc1C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77939 CC(C)n1cc(C(=O)Nc2cnc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)c(C)n1
77940 Cc1cc(C(=O)Nc2cnc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)n(C)n1
77941 Cc1ncc(NC(=O)c2cc(nn2C)C2CC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77942 CC(C)c1cc(no1)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77943 Cc1ncc(NC(=O)c2cc(on2)C2CC2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77944 Cc1cc(C(=O)Nc2ccc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)n(C)n1
77945 Cc1ncc(NC(=O)c2cc(nn2C)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77946 Cc1nc(C(=O)Nc2cnc(C)c(c2)-c2cc(N3CCOCC3)c(=O)n(C)c2)c(C)o1
77948 COc1cc(ccn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
77949 COc1ccc(cn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;;HN;;;;$|
77950 Cc1cc(ccn1)-c1c[nH]c2ncc(cc12)N1CC(C1)NC(=O)C=C |$;;;;;;;;;;;;;;;;;;;;HN;;;;$|
77951 C=CC(=O)NC1CN(C1)c1cnc2[nH]cc(-c3ccnc(c3)C#N)c2c1 |$;;;;HN;;;;;;;;;;;;;;;;;;;;;$|
77952 Cc1ncc(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77953 Cc1ncc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77954 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77955 Cc1ncc(NC(=O)c2ccnc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77956 Cc1ncc(NC(=O)c2cccc(c2)C(C)(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77957 COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(cc1)S(C)(=O)=O
77958 Cc1ncc(NC(=O)c2cccc(c2)C(F)F)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
77959 CCOc1cc(ccc1F)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77960 CC(C)Oc1cc(ccc1F)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77961 CCOc1cccc(c1)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
77962 OC1(CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1)c1ccc(Cl)cc1
77963 CCOC(=O)Cc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12
77964 Cc1nn2c3ccccc3nc2c2ccccc12
77965 Cn1c(NCCCO)nc2-c3ccccc3CC3(CCCCC3)c2c1=O
77966 COc1ccc(cc1)-c1noc(n1)C1CCCN(C1)C(=O)CCc1ccccc1
77967 [H]C12CCC([H])(CC(O)(C1)c1ccc(F)cc1)N2c1cc(C)nc(n1)-c1ccccc1 |TLB:8:7:17:2.3,THB:10:7:17:2.3|
77968 CCOc1cc(ccc1O)-c1c2CCCC(C)c2nc(N)c1C#N
77969 CN1CCCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
77970 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
77971 Nc1nc(c(Br)s1)-c1ccc(Br)s1
77972 CN1CCc2c(C1)c(NCc1ccccc1)nc(N1CCCCC1)c2C#N
77973 COC(=O)c1cccc(Nc2cc(C)nc(n2)-c2ccccc2O)c1
77974 Cc1cc(Nc2cccc(F)c2)nc(n1)-c1ccccc1O
77975 Oc1c(Cl)cc(Cl)cc1CNc1ccc(Br)cn1
77976 CC(C)n1c(NCc2cccc(CC=C)c2O)nc2ccccc12
77977 Cc1cc(C)n(n1)-c1nc(-n2nc(C)cc2C)c2c3CC(C)(C)OCc3sc2n1
77978 Fc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1CC=C
77979 CCOC(=O)C1CCCN(C1)c1cc(O)n(c1O)-c1cccc(c1)C(F)(F)F
77980 Cc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2ccc3OCOc3c2)c(C)c1
77981 CCN1C(=O)C2(C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12
77982 COc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(C)=C)cc1O
77983 Cc1nc(SCC(=O)N2CCN(CC2)c2ccccc2)c2oc3ccccc3c2n1
77984 Cc1n[nH]c2CC(C)(C)c3nc4ccccc4nc3-c12
77985 CCC(=O)Oc1ccc(cc1)-c1nc(no1)-c1cccnc1
77986 Cc1cc(C)n(CCc2nc(cs2)-c2ccc(Cl)s2)n1
77987 CC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1
77988 Clc1ccc2sc(SCC(=O)c3ccco3)nc2c1
77989 Clc1ccccc1OCc1nnc(o1)-c1ccccc1Br
77990 CC(C)n1c(cs\c1=N/c1cccnc1)-c1ccco1
77991 Nc1nc(cs1)-c1ccc(Br)cc1
77992 O=C(Nc1cccnc1)c1cn(nc1-c1cccs1)-c1ccccc1
77993 Cc1c(oc2ccccc12)C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
77994 Clc1ccc(NC(=O)CSCC(=O)OCn2nnc3ccccc3c2=O)cc1
77995 O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCc2ccccc12
77996 O=C(C1CCC1)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccccn1
77997 CCN(CC)c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1
77998 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCN1CCN(Cc2ccccc2)CC1
77999 COc1ccc2cc3cc(oc3nc2c1)C(=O)Nc1ccccc1N1CCN(C)CC1
78000 COc1ccc2cc3cc(oc3nc2c1)C(=O)NCCN1CCc2ccccc2C1
78001 Cc1cc(C)cc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCc2ccco2)c1
78002 CCOc1ccc(NC(=O)c2cccc3CN(Cc4cccnc4)C(=O)c23)cc1
78003 Clc1ccc(Cl)c2sc(nc12)N1CCCC1
78004 Nc1nc(Nc2cccc(c2)C(F)(F)F)nc(n1)C(F)(F)F
78005 Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1noc2CCCCCc12
78006 CCOC(=O)c1sc(=S)n(Cc2ccccc2)c1N
78007 COc1ccc(C)c2sc(nc12)N1CCCC1
78008 Fc1ccc(NC(=O)c2cccc3CN(Cc4ccccn4)C(=O)c23)cc1
78009 COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)N1CCN(CC1)c1ccccn1
78010 CC1CCCCN1S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCC1
78011 Cc1ccc2cc3cc(oc3nc2c1)C(=O)NCCCN1CCc2ccccc2C1
78012 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CCC1
78013 Cc1c(sc2nc(cn12)-c1ccccc1)C(=O)N1CCc2ccccc2C1
78014 CC(C)c1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1
78015 CCn1c2nc(SC)n(-c3ccccc3)c(=O)c2sc1=S
78016 OC1(CC(=O)c2ccc(cc2)-n2cccc2)C(=O)N(CC=C)c2ccccc12
78017 CN1C(=O)C(O)(CC(=O)c2cccc(c2)-n2cccc2)c2ccccc12
78018 CCOc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(F)c(Cl)c1
78019 COc1ccc(C)cc1NC(=O)NCCC1=CCCCC1 |t:16|
78020 COc1ccc(cc1OC)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
78021 CN1C(=O)C2(C(C#N)C(=N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc12
78022 COC(=O)COc1ccc(cc1C)S(=O)(=O)N1CCN(CC1)c1ccccc1F
78023 O=C(Nc1ccon1)c1cc2CCCCCCc2s1
78024 COc1ccc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)cn1
78025 CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1
78026 CSc1ccc(cc1)S(=O)(=O)NCc1ccccc1Cl
78027 Oc1cc(N2CCC(CC2)C(=O)N2CCCC2)c(O)n1-c1cccc(Cl)c1
78028 CCOC(=O)c1ccc(NC(=O)CC2OCCN(CC)C2=O)cc1
78029 O=C(CS(=O)(=O)c1ccccc1)Nc1nc(cs1)-c1ccccc1
78030 COc1ccc(NC2CCN(CC2)c2cc(O)n(c2O)-c2ccc(F)c(Cl)c2)cc1
78031 Oc1cc(N2CCC(=CC2)c2ccccc2)c(O)n1-c1ccc(F)cc1 |c:7|
78032 O=C(N1CCN(CC1)c1ccccn1)c1ccc2nc(sc2c1)N1CCCCC1
78033 Clc1ccc(s1)-c1csc(NC(=O)CSCC(=O)N2CCCCC2)n1
78034 COc1ccc(cc1)-c1cn2c(C)c(sc2n1)C(=O)N1CCc2ccccc2C1
78035 COC(=O)c1ccc(cc1)-n1c(O)cc(N(C)CCc2ccc(OC)c(OC)c2)c1O
78036 Oc1ccccc1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc12
78037 Nc1ccc2oc(nc2c1)-c1cccc(Br)c1
78038 CCOC(=O)C1CCN(CC1)c1cc(O)n(c1O)-c1ccc(cc1)C(=O)OCC
78039 CCOC(=O)c1c(N)sc2c(OC)c(Br)ccc12
78040 CCCOc1ccc(cc1)-n1c(O)cc(N2CCC(O)(CC2)c2cccc(c2)C(F)(F)F)c1O
78041 CCOc1ccccc1C(=O)Nc1cc(OC)ccc1OC
78042 CCOC(=O)C1CCN(CC1)c1cc(O)n(c1O)-c1cccc(Cl)c1
78043 COc1ccc(cc1)-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O
78044 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCC1=CCCCC1 |t:22,TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
78045 COc1ccc(cc1)-c1nncnn1
78046 Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1c(C)onc1-c1ccccc1
78047 CCn1nccc1C(=O)Nc1ccc(Cl)c(Cl)c1
78048 Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(F)c1
78049 CCC(=NCc1ccccc1)c1c([nH]n(-c2nc3ccccc3s2)c1=O)C(F)(F)F |w:3.3|
78050 Brc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1nccs1
78051 CCc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O
78052 CCN(CC)c1ncnc2n(Cc3c(Cl)cccc3Cl)cnc12
78053 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCc1ccc(OC)cc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
78054 Cc1nnc(Sc2cc(O)n(c2O)-c2ccccc2)s1
78055 Cc1cc(C)cc(OCC(=O)N2N=C(CC2(O)C(C)(C)C)C(F)(F)F)c1 |c:12|
78056 NC(=O)C1CCN(CC1)c1cc(O)n(c1O)-c1ccc(F)c(Cl)c1
78057 COc1ccccc1N1CCN(CC1)C(=O)c1cc2sccc2n1C
78058 CN1CCC(CC1)C1Oc2ccccc2Sc2ccc(Cl)cc12
78059 CN1CCC(CC1)C1Oc2cc(Cl)ccc2Sc2ccccc12
78060 OCCN1CCN(CC1)C1Cc2cc(Cl)ccc2Sc2ccc(Cl)cc12
78061 COc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N(CC=C)CC=C
78062 Cn1c(cc2ccccc12)-c1ccccc1O
78063 Cc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1
78064 COc1ccc(OCC(=O)ONC(=N)Cc2ccc(Cl)cc2)cc1
78065 Cc1ccc(cc1)C(=O)c1n[o+]n([O-])c1C(=O)c1ccc(C)cc1
78066 CC(C)c1ccc(CC(C)=CN=Nc2nc(C)cc(C)n2)cc1 |w:12.12,10.10|
78067 Fc1cccc(c1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
78068 c1ccc(cc1)-c1cc(-c2nc3ccccc3[nH]2)c2ccccc2n1
78069 CC(C)CN(CC(C)C)C(=S)SC(NC(C)=O)C(Cl)(Cl)Cl
78070 Clc1ccc(cc1)-c1nc2cnccn2c1Nc1ccc2OCOc2c1
78071 OC(CC(=O)C=Cc1ccccc1)(c1ccccc1)C(F)(F)F |w:5.4|
78072 O=C(N1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)c1ccco1
78073 COc1ccc(Cl)cc1NC(=S)NCc1ccco1
78074 NC(Cc1ccc(Cl)cc1)=NOC(=O)c1ccc2ccccc2c1 |w:10.11|
78075 Cc1ccc(OCC(=O)ONC(=N)Cc2ccc(Cl)cc2)cc1
78076 Cc1nn2C(CC(=Nc2c1-c1ccc(Cl)cc1)c1ccco1)c1ccccc1 |c:6|
78077 O=c1n(Cc2ccccc2C#N)c2ccccc2c(=O)n1C1CCCC1
78078 Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc(Br)o2)cc1
78079 COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1cccc(c1)C(F)(F)F
78080 Cc1sc2ncnc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C
78081 OC(CC(=O)C=Cc1ccccc1)(c1ccccc1)C(F)(F)C(F)F |w:5.4|
78082 NC(=S)C(C=Nc1cc(ccc1Cl)C(F)(F)F)C#N |w:5.5|
78083 Nc1cc2OCCOc2cc1C(=O)c1ccc(Cl)cc1
78084 CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1
78085 COc1cccc(Nc2ncccc2C(=O)Nc2ccccc2)c1
78086 O=C(N1CCC(Cc2ccccc2)CC1)c1ccc2nc(sc2c1)N1CCOCC1
78087 COC(=O)C(C(C)=O)=C1C=C(NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O |w:8.30,t:9|
78088 COc1ccc(\C=C2/CCc3ccccc3C2=O)cc1Cn1cccn1
78089 Cc1cc(Cl)ccc1OCC(=O)Nc1nc(cs1)-c1cccs1
78090 NC(Cc1cccs1)=NOC(=O)COc1ccc(Cl)cc1Cl |w:8.9|
78091 Oc1cc(SCc2nc3ccccc3[nH]2)c(O)n1-c1ccc(F)c(Cl)c1
78092 Cn1c(NCc2c(O)ccc3ccccc23)nc2ccccc12
78093 CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1
78094 Cc1ccnn2cc3c(n(C)c(=O)n(C)c3=O)c12
78095 CCCCCCC(=O)N(O)c1cc(O)n(c1O)-c1ccc(C)cc1
78096 [H][C@]12ON=C(c3ccccc3Cl)[C@@]1([H])[C@@]1([H])O[C@]2([H])[C@]2([H])C(=O)N(C(=O)[C@]12[H])c1ccc(Cl)cc1 |t:3,TLB:2:1:16:26.19,24:26:16:12.1,THB:4:12:16:26.19,21:19:16:12.1|
78097 COc1ccc(C=Nn2c3ccccc3n(C)c2=S)cc1OC
78098 CC(C)(C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1
78099 OCCn1cnc2n(Cc3ccccc3)c(c(-c3ccccc3)c2c1=N)-c1ccccc1
78100 Cc1sc(NC(=O)c2ccco2)c(C(N2CCCC2)c2cccnc2)c1C
78101 CCOC(=O)c1sc2ncnc(NCc3ccco3)c2c1C
78102 CCOC(=O)c1sc(cc1N)-c1ccc(Br)cc1
78103 [H]C12CC3([H])CC([H])(C1)C(=NNC(=S)Nc1ccccc1)C([H])(C2)C3 |TLB:24:21:8:3.2.5,THB:24:3:8:21.23.9,9:21:2:6.8.5|
78104 [O-][N+](=O)c1ccc(Sc2cccc3cccnc23)c(c1)[N+]([O-])=O
78105 Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1
78106 Cc1nc2ccccn2c1P(=S)(N1CCCCC1)N1CCCCC1
78107 CN(CCc1ccccn1)c1cc(O)n(c1O)-c1ccc(Cl)cc1
78108 CC(C)(C)NC(=O)NC(=O)COC(=O)CCC1CCCCC1
78109 Clc1ccc(CCNC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
78110 Cc1ccc(cc1)N=C1NS(=O)(=O)c2cc(F)ccc2S1 |w:7.7|
78111 Cc1c(oc2ccccc12)C(=O)NC1CCCc2ccccc12
78112 CCn1nc(C)c(C(=O)Nc2cc(Oc3ccc(Cl)cc3)cc(c2)[N+]([O-])=O)c1C
78113 CCCCOc1cccc(c1)-c1cc(C(=O)NNC(=S)NCC)c2ccccc2n1
78114 CCCc1ccc(cc1)-c1c(C)sc(N)c1C#N
78115 Cc1ccc(cc1)-c1csc(n1)-c1c[nH]c2ccccc12
78116 Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccccc2Cl)o1
78117 COc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
78118 COc1cccc(c1)C(=O)CSc1nnnn1C1CCCCC1
78119 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)N(CC=C)c1nc(cs1)-c1ccccc1
78120 Cc1c(C)c2cc(ccc2n1C)C(=O)Nc1cccc2ccccc12
78121 Cc1cc(=O)n([nH]1)-c1nc(cs1)-c1ccc(Cl)cc1
78122 CC(NC(=O)Nc1cccc(c1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F
78123 CSc1ccc(\C=C\C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1
78124 S=c1[nH]nc(CSc2nc3ccccc3s2)n1C1CCCCC1
78125 Clc1ccc(Nc2nc(cs2)C2CC2)cc1
78126 Clc1cccc(c1)C(=O)Nc1ncc2CCc3ccccc3-c2n1
78127 CSc1nc(N)nc(-c2cccs2)c1C#N
78128 Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc(c2)[N+]([O-])=O)c1
78129 CCCOc1cccc(c1)-c1cc(-c2n[nH]c(=S)n2CC)c2ccccc2n1
78130 COc1cccc(c1)-c1csc(n1)N1CCN(CC1)C(=S)Nc1ccccc1Cl
78131 Cc1ccc(cc1)C(N)=NOC(=O)N1CCOCC1 |w:9.10|
78132 Fc1cccc(c1)-c1cc2nc3CCCCc3c(NCc3ccco3)n2n1
78133 Cc1cccc(Nc2ncccc2C(=O)NCc2cccs2)c1C
78134 CN(C#N)c1nc(Cl)nc(Nc2ccc(C)cc2)n1
78135 CN(C)c1ccc(NC(=O)CC(C)=NNC(=O)c2ccccn2)cc1 |w:13.13|
78136 CCOC(=O)n1c2ccccc2n(Cc2ccccc2Cl)c1=O
78137 Fc1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1ccccc1
78138 Cc1cccc(c1)C(=O)ON=C1CCCc2ccccc12
78139 Cc1cc(C)cc(OCCCOc2cccc3cccnc23)c1
78140 c1nc2ccccc2n1-c1ncnc2scc(-c3ccccc3)c12
78141 Nc1n(Nc2ccc(Cl)cc2Cl)cnc2nncc12
78142 COc1ccc(cc1)-c1cc(nc2sc(C#N)c(N)c12)C1CC1
78143 Clc1ccc(CSCCNC(=S)Nc2ccccc2)cc1
78144 CC(C)(C)c1cc(C(=O)NN=Cc2ccc(F)cc2)n(n1)-c1ccccc1
78145 CCN(CC1COc2ccccc2O1)C(=S)Nc1ccccc1
78146 COc1ccc(cc1)C1NC(=S)N=C2C1CCc1cc(OC)ccc21 |c:13|
78147 CC(=O)N1CCN(CC1)c1cc(N2CCc3ccccc3C2)c(F)cc1[N+]([O-])=O
78148 Clc1ccccc1CSCC(=O)NNC(=S)Nc1ccccc1
78149 Clc1cccc2C(=O)c3cccc(N4CCCC4)c3C(=O)c12
78150 Brc1ccc(OC(=O)N2CCOCC2)c(c1)C(=O)\C=C\c1cccs1
78151 NC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |w:2.2|
78152 S=c1[nH]nc(-c2ccco2)n1N=CC=Cc1ccccc1 |w:11.12,14.16|
78153 Fc1ccccc1C(=O)NC(=S)NCc1ccccc1
78154 COc1c(OC(C)=O)ccc(\C=C\c2ccc3ccccc3n2)c1[N+]([O-])=O
78155 NC(=NOC(=O)CCC1CCCCC1)c1ccccn1 |w:2.2|
78156 Cc1ccc(cc1)-c1csc2ncnc(Nc3ccc(cc3)N3CCOCC3)c12
78157 CC1CCN(CC1)C(=S)c1cn(Cc2ccccc2F)c2ccccc12
78158 COc1ccccc1CC(=N)NOC(=O)COc1ccccc1C
78159 Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1
78160 COc1ccc(cc1)-n1c(CNc2ccc(C)cc2)nnc1SCc1ccccc1
78161 CN1\C(=C/C(=O)Nc2ccc(Br)cc2)C(C)(C)c2ccccc12
78162 CCN1CCN(CC1)c1cc(N2CCc3ccccc3C2)c(F)cc1[N+]([O-])=O
78163 O=C(Nc1ccccc1)c1cccnc1NCCc1ccccc1
78164 FC(F)(F)c1cccc(NC(=O)c2cccnc2NCCc2ccccc2)c1
78165 CCCCc1ccc(NC(=S)Nc2ccc(Nc3ccc(OC)cc3)cc2)cc1
78166 COc1ccc(Cl)cc1NC(=S)NCCSc1ccc(C)cc1
78167 Cc1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(OC(F)F)c1
78168 Nc1c(sc2nc(cc(-c3ccc(Cl)cc3)c12)C1CC1)C#N
78169 Fc1ccccc1CNC(=S)Nc1cccc(c1)C(F)(F)F
78170 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
78171 NC(=NOC(=O)CCC1CCCC1)c1cccc(c1)[N+]([O-])=O |w:2.2|
78172 COc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c(Sc2nc3ccccc3s2)c1
78173 [O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCCC1
78174 CC(CNC(=O)COc1ccccc1)OC(=O)Nc1ccc(Cl)c(Cl)c1
78175 Cc1cc(N=NCc2ccccc2O)nc(n1)-c1ccccc1O |w:4.3|
78176 Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)Nc1ccccc1
78177 Cc1ccc(NC(=S)NNC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1
78178 COc1ccc2oc(=O)c(cc2c1)-c1csc(Nc2cccc(O)c2)n1
78179 CCCc1cc(ccn1)-c1nc(cs1)-c1ccc(C)cc1
78180 Clc1ccc(Cn2c(\C=C\c3ccco3)nc3ccccc23)cc1
78181 COc1ccc(\C=C\C(=O)c2ccccc2)cc1Cn1nnc2ccccc12
78182 COc1ccc(cc1OC)C(=O)ON=C(N)Cc1ccc(Cl)c(Cl)c1 |w:13.13|
78183 Fc1ccc(CNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
78184 Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(cc1)[N+]([O-])=O
78185 CN(C1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
78186 [H]C12CC(c3ccccc3)C([H])(C1)C1C2C(=O)N(CC(=O)Nc2cc(Cl)c(Br)cc2C)C1=O |TLB:31:13:12:3.2,THB:4:3:13.14:12,15:14:12:3.2|
78187 Brc1ccccc1NC(=O)C1CN(C(=O)C1)c1ccc2CCc3cccc1c23
78188 CCCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1
78189 [O-][N+](=O)c1cc(NC(=O)c2cccc(F)c2)cc(Sc2ccccn2)c1
78190 OC(COc1ccccc1)Cn1c2ccccc2c2ccccc12
78191 Cc1nonc1C(=O)NN=Cc1ccc(O)cc1 |w:9.9|
78192 [O-][N+](=O)c1cc(NC(=O)c2cccc(Cl)c2)cc(Sc2ccccn2)c1
78193 NC(Cc1ccc(Cl)cc1Cl)=NOC(=O)Cc1ccc(Cl)cc1 |w:11.12|
78194 Clc1ccc(NC(=S)NCCCc2ccccc2)cc1
78195 COc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1
78196 CC1CCN(CC1)C(=O)CCc1ccc(Oc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1
78197 Cc1ccccc1OCC(=O)Nc1ccc(Cc2ccncc2)cc1
78198 CN1CCN(CC1)c1cc(N2CCc3ccccc3C2)c(F)cc1[N+]([O-])=O
78199 COc1ccc(cc1)C(N)=NOC(=O)c1ccc2OCOc2c1 |w:10.11|
78200 CCc1cccc(NC(=S)NN=Cc2cn(CC)c3ccc(cc23)S(=O)(=O)N2CCOCC2)c1 |w:11.10|
78201 COc1ccc(C[n+]2c(cn3ccccc23)-c2ccc(Br)cc2)cc1
78202 FC(F)(F)c1cccc(NC(=S)NNC(=O)c2cccc(Cl)c2)c1
78203 C=CCNC(=S)NNc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)[nH]1
78204 C=CCNC(=S)NNc1nc2-c3ccccc3CC3(CCCCC3)c2c(=O)[nH]1
78205 Cc1ccccc1NC(=O)CSc1nc(N)c2c3CC(C)(C)SCc3sc2n1
78206 Cc1cccc(\C=C2/Oc3cc(OS(C)(=O)=O)ccc3C2=O)c1
78207 Clc1ccccc1Nc1nnc(s1)-c1ccncc1
78208 Cc1ccc(cc1)C(N)=NOC(=O)c1ccc2OCOc2c1 |w:9.10|
78209 Oc1ccccc1C(=O)\C=C\c1ccc2OCCCOc2c1
78210 Cc1cc(N=NCc2ccc(Cl)cc2)nc(NCc2ccccc2)n1 |w:4.3|
78211 COc1ccc(cc1)C(CCNC(C)c1ccccc1)c1ccc(F)cc1
78212 Cc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCCC2=CCCCC2)cc1 |t:22|
78213 O=S(=O)(Nc1ccc(cc1)\N=N\c1ccccc1)c1ccccc1
78214 OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
78215 Cc1ccc(NC(=S)NCc2ccc3[nH]c4CCCCc4c3c2)cc1
78216 [O-][N+](=O)c1cccc(NC(=S)NCCc2ccccc2)c1
78217 Cc1ccsc1C1Nc2ccccc2-c2nc3ccccc3n12
78218 CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O
78219 Clc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)NC2=NCCCCC2)c(Cl)c1 |t:21|
78220 [H]C12CC(C)(CN1C(=S)NC(=O)c1ccccc1Cl)CC(C)(C)C2 |TLB:7:6:2:20.19.23|
78221 Clc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3CCCc3c2)CC1
78222 O=C(CN1CCN(CC1)S(=O)(=O)c1ccc2ccccc2c1)Nc1ccc2CCCc2c1
78223 FC(F)Sc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1
78224 CCOC(=O)c1c(NC(=S)NC)scc1-c1ccccc1
78225 FC(F)Sc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)cc1
78226 CC(C)(C)C(=O)NCCN1C(=O)S\C(=C/c2ccc(cc2)[N+]([O-])=O)C1=O
78227 NC(=NOC(=O)CCCc1ccccc1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
78228 Cc1ccc(OCCOc2cccc(Br)c2)c(n1)[N+]([O-])=O
78229 Cc1c(Cl)c(nn1Cc1ccc(o1)C(=O)Nc1ccc(Cl)cn1)[N+]([O-])=O
78230 Cc1ccc2nc(C)c(cc2c1)C(=O)N\N=C\c1cccc(c1)[N+]([O-])=O
78231 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)Nc1nnc(nn1)-n1nc(C)cc1C |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
78232 CCOC(=O)Cc1csc(NC(=O)CSc2ccc(Br)cc2)n1
78233 Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C11CCCCC1 |t:9|
78234 COc1cc2CCN(Cc2cc1OC)c1ccc(cc1Cl)[N+]([O-])=O
78235 CC(C)NC(=S)NN=C1CCCCc2ccccc12 |w:7.6|
78236 Cc1ccc(c(C)c1)-n1cc([nH]c1=S)-c1ccc(cc1)[N+]([O-])=O
78237 O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)C(=C\c1ccccc1)\C#N
78238 CCCN(CC1COc2ccccc2O1)C(=S)Nc1ccc(C)cc1
78239 CCOc1cc(\C=C\C(=O)c2ccc(C)cc2)ccc1OCC(=O)N(C)C
78240 Cc1cc(Nc2nc(Cl)c(Cl)cc2Cl)n(n1)-c1ccccc1
78241 Clc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1
78242 Cc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)N=Nc1ccc(O)cc1 |w:17.18|
78243 CCCN(Cc1ccccc1)C(=S)Nc1cccc(c1)C(F)(F)F
78244 CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(SC(F)F)cc1
78245 Clc1cccc(Cl)c1S(=O)(=O)NCC(=O)OCc1csc(n1)-c1ccccc1
78246 COc1cccc(c1)N1C(N(N=C1C(C)=O)c1ccccc1)c1ccc(cc1)N1CCOCC1 |c:12|
78247 COC(=O)c1ccccc1NC(=S)NC(=O)C1CCCCC1
78248 COc1ccc(c(OC)c1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1
78249 Brc1ccc(cc1)C1CC(=NC(=S)N1)c1cccs1 |c:10|
78250 NC(=S)NN=Cc1ccccc1OCCSc1ccc(Cl)cc1 |w:4.3|
78251 COc1ccc2nc(N=C(N)NC(=O)Nc3ccccc3)nc(C)c2c1 |w:8.7|
78252 CN(C)CCOC(=O)c1ccc2n(Cc3ccccc3)c(C)c(C)c2c1
78253 CCCc1cc(cs1)-c1n[nH]c(=S)n1-c1cccc(C)c1
78254 COc1ccc2[nH]c3c(nc4SCCn4c3=O)c2c1
78255 Brc1ccc(C=NNC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)s1
78256 NC(=NOC(=O)CCCOc1ccccc1)c1cccc(c1)[N+]([O-])=O |w:2.2|
78257 Clc1cccc(c1)N1CCN(CC1)C(=O)c1cccc(NC(=O)c2ccccc2)c1
78258 Cc1cccc(c1)C(N)=NOC(=O)COc1ccc(Cl)cc1 |w:9.10|
78259 CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(CCc2ccc(OC)cc2)C1=S
78260 NC(=NOC(=O)c1cccnc1)c1ccc(Cl)cc1Cl |w:2.2|
78261 NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1
78262 [O-][N+](=O)c1cccc(c1)C(=O)CCNc1ccc(Cc2ccncc2)cc1
78263 NC(=NOC(=O)c1ccc(F)cc1)c1ccc(Br)cc1 |w:2.2|
78264 Oc1cc(N2CCCCCC2)c(O)n1-c1ccc(F)cc1
78265 COC(=O)c1c2CCCCc2sc1-n1c(O)cc(Sc2ccccc2C(O)=O)c1O |(7.13,5.33,;6.65,3.86,;7.68,2.72,;9.19,3.03,;7.2,1.25,;5.75,.78,;4.41,1.55,;3.08,.78,;3.08,-.76,;4.41,-1.53,;5.75,-.76,;7.2,-1.23,;8.1,.01,;9.64,.01,;10.55,1.26,;10.07,2.72,;12.01,.78,;12.01,-.76,;13.26,-1.66,;14.67,-1.04,;14.83,.5,;16.23,1.12,;17.48,.22,;17.32,-1.31,;15.91,-1.94,;15.75,-3.47,;17,-4.38,;14.34,-4.1,;10.55,-1.23,;10.07,-2.7,)|
78266 CCc1nn(-c2ccccc2)c(=S)c2ccccc12
78267 [O-][N+](=O)c1ccc(CC(=O)O[N-]C(=[NH2+])c2cccc(Br)c2)cc1
78268 S=C(NCCc1ccccc1)Nc1ccc(Nc2ccccc2)cc1
78269 NC(=NOC(=O)CCC1CCCC1)c1ccc(cc1)[N+]([O-])=O |w:2.2|
78270 NC(=NOC(=O)CCC1CCCC1)c1ccccc1 |w:2.2|
78271 NC(=NOC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccncc1 |w:2.2|
78272 NC(=NOC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|
78273 Cc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCC1
78274 CC1CCN(CC1)c1ccccc1NC(=S)NC(=O)C(C)(C)C
78275 Oc1c(CNc2ccc(Br)cc2)cccc1CC=C
78276 CCC([NH+]=Nc1ccccc1[N+]([O-])=O)[c-]1ccc(=O)cc1 |w:3.2|
78277 O=C(Cc1ccccc1)NN\C=c1\ccc2=CC=CC(=O)c2n1 |c:18,t:16|
78278 CC(C)C(=O)Nc1ccc(cc1)-c1nc2ccccc2c(=O)o1
78279 Cc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1C
78280 COc1ccccc1CC(=N)NOC(=O)c1ccco1
78281 [O-][N+](=O)c1ccccc1C(=O)O[N-][C+](c1ccccc1)c1ccncc1
78282 COc1ccc(cc1OC)C(=N)NOC(=O)c1cccs1
78283 Cc1cccc(c1)C(=O)ON=C(c1ccccc1)c1ccncc1
78284 NC(=NOC(=O)CC(c1ccccc1)c1ccccc1)c1cccnc1 |w:2.2|
78285 Cc1ccc(NC(=O)c2ccc(o2)[N+]([O-])=O)c(C)c1
78286 CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccco4)cc1c23 |t:1|
78288 COc1ccc(cc1)-n1c(O)cc(Sc2nc3ccccc3s2)c1O
78289 Cc1ccccc1NC(=S)N(Cc1ccccn1)Cc1ccccc1Cl
78290 CCc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccn2)cc1
78291 COc1cccc(\C=C2/N=C(OC2=O)C2CCCCC2)c1OC |c:9|
78292 COc1ccc(cc1)C(=O)Nc1ccc(cc1)-n1nncc1C(C)(C)C
78293 CCOc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=O
78294 CCc1c(C)[nH]n(-c2nc(cs2)-c2ccccc2)c1=O
78295 COc1ccc2[nH]c3c(nc4SCCCn4c3=O)c2c1
78296 FC(F)(F)c1cccc(NC(=S)NC(=O)c2csnn2)c1
78297 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)C(=O)OC(C)(C)C
78298 FC(F)(F)c1cnc(NCCNS(=O)(=O)C(F)(F)F)c(Cl)c1
78299 COc1ccc(cc1)-c1n[nH]cc1N=Nc1ccccc1 |w:14.16|
78300 Oc1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1Cl
78301 Oc1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1
78302 Cc1cccc(c1)C1=NNC(=O)C(C1)c1ccc(Cl)cc1 |t:8|
78303 Fc1ccc2[nH]c3c(nc4SCCn4c3=O)c2c1
78304 Oc1ccc(CC=C)cc1-c1cc(CC=C)ccc1O
78305 Clc1cccc(\C=C\C(=O)N2CC(=O)Nc3ccccc23)c1
78306 CCOc1ccccc1N1CCN(CC1)C(=S)Nc1ccc(SC(F)F)cc1
78307 CN(\N=C\c1ccc(o1)[N+]([O-])=O)c1ccccc1
78308 FC(F)Sc1ccc(NC(=S)NC2CCCC2)cc1
78309 C1CN(CCO1)N=Cc1cn(nc1-c1ccccc1)-c1ccccc1
78310 COc1ccccc1NC(=S)NN=C(C)C1CCCCC1 |w:12.12|
78311 Cc1nn(C)c(C)c1NC(=O)Nc1ccc(Cl)c(Cl)c1
78312 CC(=NN=c1sc2ccccc2n1C)c1ccccn1 |w:3.2,1.0|
78313 CC(C)CN(CC(C)C)C(=S)Nc1ccc(Cl)cc1
78314 Clc1ccc(cc1)-c1cc(C(=O)NN=Cc2ccc[nH]2)c2ccccc2n1 |w:13.13|
78315 COc1ccc(cc1)C(C)=NNC(=S)NCCc1ccccc1 |w:10.11|
78316 CCCCNC(=S)Nc1ccc(cc1)C(F)(F)F
78317 FC(F)(F)c1ccc(NC(=S)NC2CCCCC2)cc1
78318 CCOC(=O)\C=C\C(=O)OCC(=O)Nc1ccc(cc1)[N+]([O-])=O
78319 COc1ccc(cc1)-c1csc(CCn2nc(C)cc2C)n1
78320 Oc1ccccc1N1CCN(CC1)c1ccc(Cl)cc1[N+]([O-])=O
78321 CC(=NNC(=S)NCc1ccccc1)c1ccc(Cl)s1 |w:2.2|
78322 CC(NC(=S)Nc1ccc(cc1)C(C)=O)c1ccc(Cl)cc1Cl
78323 CCCCNC(=S)NNC1=c2ccccc2=NC1=O |c:9,16|
78324 [#8]-[#6](=O)-c1ccc(\[#6]=[#6](\c2nc3ccccc3s2)-c2nc3ccccc3s2)cc1
78325 Cc1cc(ccc1\N=N\c1cc(F)ccc1F)N(CCO)CCO
78326 Cc1cccc2nc(COc3ccc(Cl)c4cccnc34)cn12
78327 Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCN(CC1)C(=O)c1ccccc1
78328 NC(=NOC(=O)c1cccc2ccccc12)c1ccncc1 |w:2.2|
78329 Oc1ccc(Cl)cc1C(=O)CC(=N)C(Cl)(Cl)Cl
78330 COc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1 |(13.42,6.17,;11.91,5.85,;11.43,4.39,;12.46,3.24,;11.99,1.78,;10.48,1.46,;10.01,-.01,;8.5,-.33,;8.18,1.18,;8.82,-1.83,;6.99,-.65,;6.52,.82,;4.98,.82,;4.5,-.65,;5.75,-1.55,;5.75,-3.09,;4.41,-3.86,;3.08,-3.09,;4.41,-5.4,;5.75,-6.17,;7.08,-5.4,;7.08,-3.86,;8.62,-3.86,;9.45,2.6,;9.93,4.07,)|
78331 Cn1ncc2c(Nc3ccc(Br)cc3)nc(Nc3ccc(Br)cc3)nc12
78332 CCC(CO)Nc1nc2ccc(Cl)cc2c2ccccc12
78333 COC(=O)c1cc(C)nc2c(C)cc3[nH]c4ccccc4c3c12
78334 Cc1ccc(OCC(=O)O[N-]C(=[NH2+])Cc2ccc(cc2)[N+]([O-])=O)cc1C
78335 Clc1cccc(NC(=O)N2N=CCC2c2ccccc2)c1 |c:10|
78336 Oc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1
78337 CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
78338 COc1cc(cc(OC)c1OC)C(=O)O[N-]C(=[NH2+])Cc1ccc(cc1)[N+]([O-])=O
78339 Sc1nnc(Nc2ccc(Cl)cc2)s1
78340 CC(=O)Sc1cc(O)n(c1O)-c1ccc(cc1)C(C)(C)C
78341 FC(F)(F)C(=O)C(=NNc1cccc(c1)C(F)(F)F)C(=O)c1cccs1 |w:7.7|
78342 Nc1ccccc1Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F
78343 Cc1ccc(cc1)-n1c(O)cc(Sc2cccs2)c1O
78344 Oc1cc(Sc2cccs2)c(O)n1-c1ccccc1
78345 FC(F)(F)c1ccccc1C(=O)ONC(=N)CCS(=O)(=O)c1ccc(Cl)cc1
78346 NC(=NOC(=O)c1cccc(Cn2cc(ccc2=O)C(F)(F)F)c1)c1ccccc1 |w:2.2|
78347 FC(F)(F)c1cc(cc(c1)S(=O)(=O)NC(=N)c1ccc(Cl)cc1)C(F)(F)F
78348 COC(CC=CC(=O)COCc1ccccc1)OC |w:4.3|
78349 C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(cc1F)-c1ccoc1 |c:3|
78350 Cc1ccc(F)c(c1)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:11|
78351 C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1 |c:4|
78352 Cc1ccc(F)c(c1)[C@H]1C2C=CCC(C2C(=O)N1Cc1ccccc1)c1ccccc1 |c:11|
78353 O=C1C2C(C=CCC2c2ccccc2)[C@@H](N1Cc1ccccc1)c1ccc2ccccc2c1 |c:4|
78354 C[C@H]1C=CC(=O)O[C@H]1c1ccccc1 |c:2|
78355 O=C(c1cccs1)c1c[nH]cc1-c1ccccc1
78356 CN(CCCC(O)=O)c1ccc(cc1)\N=N\c1ccc(cc1)[N+]([O-])=O
78357 [O-][N+](=O)c1ccccc1C(=O)Oc1ccc(cc1)C(=S)N1CCOCC1
78358 CN(C)Cc1c(O)c(Cl)c(Cl)c2oc(C)c(C(=O)c3ccc(Cl)cc3)c12
78359 NC(=NOC(=O)c1ccccc1Cl)c1cccc(c1)[N+]([O-])=O |w:2.2|
78360 COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Nc2ccccc2)cc1
78361 CCN(CC)c1cc(O)n(c1O)-c1cccc(Cl)c1
78362 COc1c(\C=C2/S\C([N-]C2=O)=[NH+]\c2ccccc2Cl)cccc1[N+]([O-])=O
78363 CSc1ccccc1NC(=O)C1CC(=NO1)c1c(F)cccc1Cl |c:14|
78364 COc1ccc(CC(=NOC(C)=O)c2ccc(OC)cc2)cc1 |w:8.8|
78365 CCOC(=O)c1ccc2[nH]c3CCCCc3c2c1
78366 COCCNC(=S)N1CCN(CC1)c1nc(cs1)-c1ccccc1
78367 Clc1cccc(C2Nc3cccc4cccc(N2)c34)c1Cl
78368 COc1cccc(C=Nn2c(n[nH]c2=S)C2CCCCC2)c1O |w:8.8|
78369 Cc1oc2cc(Br)c(O)c(Br)c2c1C(=O)c1ccccc1
78370 Cc1cccc(C=Nn2c(COc3ccccc3)n[nH]c2=S)c1 |w:7.7|
78371 COc1cccc(c1)N1[C@@H](CC(C)=O)c2ccc(C=CC(C)=O)cc2S1(=O)=O |w:18.18|
78372 Cc1cc(Nc2ccccc2Cl)nc(n1)-c1ccccc1O
78373 CC(C)(C)c1ccc(cc1)C(=O)c1c[nH]nc1-c1ccccc1O
78374 COc1ccccc1C(CCNCc1ccccc1)c1ccc(OC(C)C)cc1
78375 OC1(CCCCC1)C#Cc1ccc2oc3ccccc3c(=O)c2c1
78376 COc1ccc(cc1)C(=O)ON=C(N)c1ccc(Br)cc1 |w:11.11|
78377 Cc1cc(C)n2nc(SCc3c(F)cccc3Cl)nc2n1
78378 Oc1ccc(cc1)-c1nccc(n1)-c1ccc(F)cc1
78379 COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)-c1ccccc1
78380 Cc1[nH]c(cc1C(=O)N1CCN(CC1)c1ccccc1F)-c1ccc(F)cc1
78381 Cc1onc(c1-c1ccc2[nH]ccc2c1)-c1ccc2OCOc2c1
78382 CCOC(=O)c1c(oc2cc(Br)c(O)cc12)-c1ccccc1
78383 COc1ccc(cc1OC)C(=O)ON=C(N)c1ccccc1Cl |w:13.13|
78384 COc1ccc(cc1)C(=O)ON=C(N)c1ccc(Cl)cc1 |w:11.11|
78385 COc1cc(OC)c(cc1OC)C(=O)ON=C(N)c1cccc(C)c1 |w:15.15|
78386 COc1cc(OC)c(cc1OC)C(=O)ON=C(N)c1ccc(C)cc1 |w:15.15|
78387 Clc1cccc(Cl)c1C=Cc1ccn[nH]1 |w:8.8|
78388 OC(c1cc2cc(ccc2o1)[N+]([O-])=O)c1cccc(Cl)c1
78389 CC(C)(C)c1ccc(cc1)-c1n[nH]c(=S)n1Cc1ccccc1
78390 [H]C12CCC([H])(C1)C(C2)C(C)NC(=O)c1cccc(Cl)c1 |TLB:9:7:6:3.2|
78391 Cc1cccc(NC(=O)c2ccc(s2)[N+]([O-])=O)n1
78392 Cc1nn(-c2ccc(Cl)cc2)c2nc(CCl)cc(O)c12
78393 COc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
78394 COc1cc(C=Cc2ccc3cccc(O)c3n2)c(Br)cc1O |w:6.6|
78395 CCOC(=O)c1ccc(NC(=O)c2cccc3CN(CC4CCCO4)C(=O)c23)cc1
78396 COC(=O)c1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2)cc1
78397 Cc1nonc1C1CCCN1C(=O)c1cc(COc2cccc(c2)C(F)(F)F)on1
78398 Fc1ccc(OCc2cc(no2)C(=O)N2CCN(CC2)c2cnccn2)c(Cl)c1
78399 CCOC(=O)C1CCN(CC1)C(=O)c1oc2ccc3OC4(CCCCC4)CC(O)c3c2c1C
78400 CC1CCCCN1c1sc(nc1S(=O)(=O)c1ccc(C)cc1)S(C)(=O)=O
78401 Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(NC(=O)C2=CSCCO2)cc1 |t:24|
78402 Cc1onc(c1C(=O)Nc1cc(C)ccc1F)-c1ccccc1
78403 CN(C)CCCN(C(=O)c1ccc(Cl)s1)c1nc2cc3OCOc3cc2s1
78404 COc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
78405 COc1ccc(OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)cc1
78406 Cn1c2ccccc2c(=O)c2ccc(cc12)C#CC1(O)CCCCC1
78407 CCCc1[nH]c2ccc(cc2c1CCC)C#N
78408 Fc1cccc(c1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1
78409 CSc1ccccc1OCc1cc(no1)C(=O)N1CCC(CC1)Oc1cccnc1
78410 FC(F)(F)c1cccc(OCc2cc(no2)C(=O)N2C[C@H]3C[C@@H]2CCC3)c1 |THB:16:18:21:25.23.24|
78411 COc1ccc(Br)c(c1)-c1nnc(CS(=O)(=O)c2ccccc2)o1
78412 NC(=NOC(=O)CCCc1ccccc1)c1ccccc1Cl |w:2.2|
78413 NC(=NOC(=O)CCCc1ccccc1)c1ccccc1 |w:2.2|
78414 CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
78415 Fc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=O)c2cncc(Br)c2)cc1
78416 CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1ccc(Cl)c(Cl)c1
78417 COc1ccc(cc1OC)C(N)=NOC(=O)CC1CCCCC1 |w:12.13|
78418 Cc1nn(C)c(C(=O)NC(=S)Nc2ccc(cc2)[N+]([O-])=O)c1Cl
78419 C=CCNC(=S)NNC(=O)c1cc(nc2ccccc12)-c1ccncc1
78420 Cn1c2ccccc2c(=O)c2ccc(cc12)C#CC1(N)CCCCC1
78421 COc1ccc(Cl)cc1NC(=S)NCCc1ccc(F)cc1
78422 [H]C12CC3([H])CC(Cl)(C1)CC(C2)(C3)C(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
78423 COC(=O)N1N(C(=O)OC)[C@](C2CCCCC2)(C1=O)c1ccccc1
78424 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cc(F)cc2s1
78425 CCOC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCN(CC)CC)c1nc2ccc(C)cc2s1
78426 CCCCCCSc1ccc(cc1)[C@H]1N[C@](C)([C@@H]2[C@H]1C(=O)N(C)C2=O)C(=O)OC
78427 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
78428 CCN(CC)CCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(OC)cc2s1
78429 FC(F)(F)c1cnc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c(Cl)c1
78430 Clc1ccc(cc1)-c1ccc(o1)C(=O)NC1CCCCC1
78431 Cc1ccccc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
78432 Cc1ccccc1SCC(=O)Nc1cc(ccc1N1CCOCC1)C(F)(F)F
78433 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
78434 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
78435 OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C([O-])=O)c1O
78436 CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
78437 Cc1nc(CN2CCN(CC2)S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cs1
78438 O=Cc1c[nH]c2cccc(OCc3ccccc3)c12
78439 FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1ccc2ncsc2c1
78440 CN(C)S(=O)(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1
78441 Fc1cccc(CN2c3ccc(Br)cc3C(=O)CS2(=O)=O)c1
78442 Fc1cc(F)cc(Nc2nc(Cl)nc(NC3CCCC3)n2)c1
78443 COc1ccc(cc1)-c1sc2cc3OCOc3cc2c1C#CC1(N)CCCCC1
78444 COc1ccc2sc(c(C#CCO)c2c1)-c1ccc(cc1)S(C)(=O)=O
78445 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc(F)c(F)c2)c(Cl)c1
78446 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc(F)c(F)c2)cc1
78447 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc(F)c(F)c1
78448 Fc1ccc(cc1F)-c1nnc(NC(=O)COc2ccc(Cl)cc2)o1
78449 Cc1ccc(cc1C)-c1nnc(NC(=O)COc2ccccc2F)o1
78450 Cc1ccc(cc1C)-c1nnc(NC(=O)C(C)(C)Oc2ccccc2)o1
78451 Cc1ccc(cc1C)-c1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
78452 Cc1ccc(cc1C)-c1nnc(NC(=O)COc2ccccc2Cl)o1
78453 CC(C)Oc1cccc(c1)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
78454 Cc1ccc(cc1C)-c1nnc(NC(=O)COc2ccc(F)cc2)o1
78455 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc(C)c(C)c1
78456 Cc1ccc(cc1C)-c1nnc(NC(=O)COc2ccc(Cl)cc2)o1
78457 Fc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2OCOc2c1
78458 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3OCOc3c2)c(Cl)c1
78459 Clc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2OCOc2c1
78460 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3OCOc3c2)cc1
78461 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc2OCOc2c1
78462 Fc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
78463 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)c(Cl)c1
78464 Clc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
78465 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)cc1Cl
78466 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3CCCCc3c2)cc1
78467 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
78468 Fc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
78469 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3OCCOc3c2)c(Cl)c1
78470 Clc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
78471 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
78472 Cc1ncc(NC(=O)c2ccnc(c2)C(C)(C)C)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
78473 Fc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2ccccc2c1
78474 CC(C)(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc2ccccc2c1
78475 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3ccccc3c2)c(Cl)c1
78476 Clc1ccccc1OCC(=O)Nc1nnc(o1)-c1ccc2ccccc2c1
78477 CC(C)c1cc(ccn1)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
78478 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3ccccc3c2)cc1
78479 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc2ccccc2c1
78480 Clc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc3ccccc3c2)cc1
78481 Fc1ccc(cc1)-c1nnc(NC(=O)COc2ccccc2F)o1
78482 Fc1ccc(cc1)-c1nnc(NC(=O)COc2ccc(F)cc2Cl)o1
78483 Fc1ccc(cc1)-c1nnc(NC(=O)COc2ccccc2Cl)o1
78484 Fc1ccc(cc1)-c1nnc(NC(=O)COc2ccc(F)c(Cl)c2)o1
78485 Fc1ccc(OCC(=O)Nc2nnc(o2)-c2ccc(F)cc2)cc1
78486 CC(Oc1ccccc1)C(=O)Nc1nnc(o1)-c1ccc(F)cc1
78487 Fc1ccc(cc1)-c1nnc(NC(=O)COc2ccc(Cl)cc2)o1
78488 Clc1cc(Cl)cc(c1)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1
78489 Clc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1
78490 CN(C)Cc1cc(cc(c1)C(F)(F)F)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
78491 Fc1ccc(OCC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1
78492 Fc1ccc(OCC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl
78493 Clc1ccccc1OCC(=O)N[C@H]1CCCN(Cc2ccccc2)C1
78494 Clc1cc(Cl)cc(c1)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1
78495 CCN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cnc(C)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
78496 Cc1ncc(NC(=O)c2cccc(c2Cl)C2(CC2)C#N)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1
78497 Fc1ccc(OCC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1
78498 Fc1ccc(OCC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl
78499 Clc1ccccc1OCC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1
78500 CC(C)(C)CCN1CCC[C@@H](C1)NC(=O)c1cc(Cl)cc(Cl)c1
78501 CC(C)(C)CCN1CCC[C@@H](C1)NC(=O)c1ccc(Cl)cc1Cl
78502 CC(C)(C)CCN1CCC[C@@H](C1)NC(=O)COc1ccccc1F
78503 CC(C)(C)CCN1CCC[C@@H](C1)NC(=O)COc1ccc(F)cc1Cl
78504 CC(C)(C)CCN1CCC[C@@H](C1)NC(=O)COc1ccc(F)c(Cl)c1
78505 CC(C)(C)CCN1CCC[C@@H](C1)NC(=O)COc1ccccc1Cl
78506 CC(C)(C)CCN1CCC[C@H](C1)NC(=O)c1cc(Cl)cc(Cl)c1
78507 CC(C)(C)CCN1CCC[C@H](C1)NC(=O)c1ccc(Cl)cc1Cl
78508 Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(F)(F)F)cnc1Cl
78509 CC(C)(C)CCN1CCC[C@H](C1)NC(=O)COc1ccc(F)cc1Cl
78510 CC(C)(C)CCN1CCC[C@H](C1)NC(=O)COc1ccccc1Cl
78511 Clc1ccc(C(=O)NC2CCC3CN(Cc4ccccc4)CC23)c(Cl)c1
78512 CC(C)(C)CCN1CC2CCC(NC(=O)c3ccc(Cl)cc3Cl)C2C1
78513 Clc1cc(Cl)cc(c1)C(=O)NCC1[C@@H]2CN(Cc3ccccc3)C[C@H]12
78514 Clc1cc(Cl)cc(c1)C(=O)NC1CCC2CN(Cc3ccccc3)CC12
78515 CC(C)(C)CCN1C[C@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C1
78516 CC(C)(C)CCN1CC2CCC(NC(=O)c3cc(Cl)cc(Cl)c3)C2C1
78517 CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1
78518 CN(C)CCCNCCCNC(=O)c1ccc(C)nc1
78519 CCOC(=O)c1c(C)c2C(CCCc2n1C)N=O
78520 CC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC1CCCC1
78521 COc1ccccc1NC(=O)CN1CCC(CC1)n1c(C)nc2cc(F)ccc12
78522 COc1ccc(NC(=O)CS(=O)CC(=O)Nc2cc(Cl)ccc2OC)cc1
78523 O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCCc1nc2ccccc2[nH]1
78524 CCn1c2ccccc2c(O)c(C(=O)NCCN2CCCCC2)c1=O
78525 COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1
78526 Clc1ccc2Oc3ncnc(N4CCCCC4)c3N=Cc2c1 |c:20|
78527 CSc1nccc(Nc2ccccc2)c1C#N
78528 Clc1ccc2Oc3ncnc(N4CCOCC4)c3NCc2c1
78529 CCOC(=O)c1c(CN2CCCCC2)oc2ccc(O)cc12
78530 CCCCNCC(=O)Nc1ccc(cc1)-c1nc2cc(NC(=O)CNCCCC)ccc2o1
78531 CN(C)CC(O)COc1ccc(cc1)C(C)(C)c1ccc(OCC(O)CN(C)C)cc1
78532 CC1(C)Cc2c(CS1)c(nc1sc3c([nH]cnc3=O)c21)N1CCOCC1
78533 COc1cc2[nH]c3c(ncnc3c2cc1OC)N1CCN(CC1)c1ccc(Cl)cc1
78534 CCOc1ccc(-c2n[nH]cc2Oc2cccc(OC)c2)c(O)c1
78535 CCOC(=O)c1cc(nc2n(C)nc(C)c12)-c1ccncc1
78536 CCCCn1c2nc(-c3ccc(cc3)C#N)n(C3CCCC3)c2c(=O)[nH]c1=O
78537 COC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1
78538 Cc1c(C)c2c(N)ncnc2n1Cc1ccccc1
78539 CCCCn1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O
78540 CCOC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
78541 COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1
78542 COc1ccc2nc3oc(cc3cc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
78543 CCCOc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O
78544 Cn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O
78545 COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1
78546 CN1CCN(CC1)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(C)cc1
78547 CCCCC(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23
78548 COc1ccccc1C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(C)c1C
78549 COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1
78550 Clc1cccc(c1)N1CCN(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1
78551 CCNC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCC(C)CC1
78552 COc1ccc(cc1)-c1noc(CCC(=O)NCC2CCN(Cc3cccc(C)c3)CC2)n1
78553 CCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1
78554 COc1ccc(cc1)-c1noc(CCC(=O)NCCCN2CCC(Cc3ccccc3)CC2)n1
78555 O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
78556 Cn1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O
78557 O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1
78558 COc1ccccc1NC(=O)CSc1nc2ccccc2n1C(C)=O
78559 CCCn1c2ccccc2c2nc3ccccc3nc12
78560 Cn1c2ncn(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O
78561 CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
78562 Cc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(C)cc1
78563 CC(C)n1c(NCc2cc(Cl)ccc2O)nc2ccccc12
78564 COc1ccc(cc1)-c1nnc(SCC(=O)Nc2cc(F)ccc2C)o1
78566 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cn(Cc2ccccc2)c2ccccc12
78567 CC1CCCCN1CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
78568 COc1ccc(cc1OC)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(F)c1
78569 Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCC(CC1)N1CCCCC1
78570 CCOC(=O)c1c(CN2CCN(CC2)c2ccccc2)oc2ccc(O)cc12
78571 CCCCN(CC)CCCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O
78572 COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2CN(CCc12)C(C)=O
78573 CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1
78574 COc1ccc2nc(SCc3nc(N)nc(Nc4ccccc4)n3)[nH]c2c1
78575 COC(=O)Cc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1
78576 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
78577 CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
78578 COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br
78579 CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|
78580 OC(CNCC1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12
78581 [O-][N+](=O)c1ccc(CSCC(=O)N[N-][C+]2CCCCCC2)cc1
78582 Cl.C1CCC(CC1)c1ccc2n3CCCNC4CCCc(c34)c2c1
78583 C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC1=O)C(N)=O)[N+]([O-])=O
78584 NCCCC[C@@H]1NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O)[N+]([O-])=O
78585 [Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(CCC\N=C(/N)[NH3+])nn1
78586 CC[C@H](C)[C@@H]1NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(N)=O)[N+]([O-])=O
78587 NCCCC[C@@H]1NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC(=O)CNC1=O)C(N)=O)[N+]([O-])=O
78588 NCCCC[C@@H]1NC(=O)c2cc(cc(I)c2SC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)[N+]([O-])=O
78589 CCSc1nc(N2CCCCC2)c2CCCCc2c1C#N
78590 CCOC(=O)C1=C(O\C(S1)=C(/C(=O)OC)C(F)(F)F)c1ccccc1 |t:5|
78591 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC(O)COc2ccc3ccccc3c2)CC1
78592 COc1ccc(cc1)C(=O)Nn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O
78593 O=C(Cn1cc(C(=O)c2cccs2)c2ccccc12)NC1CCCCC1
78594 COc1cc2n(Cc3ccc(F)cc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
78595 CCOC(=O)C1=C(O\C(S1)=C(\C(=O)OC)C(F)(F)F)c1ccccc1 |t:5|
78596 CCOc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1
78597 CC(C)Cn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O
78598 CC(C)Cn1cc(C(=O)NCCCN2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O
78599 COc1cc2nc(NCCCN3CCN(C)CC3)n3nc(nc3c2cc1OC)-c1ccccc1
78600 Cc1cc([nH]n1)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl |w:16.17|
78601 COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccccc1
78602 NC(=S)Nc1nc2ccccc2[nH]c1=O
78603 OC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1
78604 OC(=O)c1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3ccsc3c2=O)cc1
78605 CCc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc23)c1 |t:12|
78606 O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12
78607 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccccc3)n2n1
78608 CN(C)CCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N
78609 CCCCn1c(nc2nc3ccccc3nc12)-c1cccs1
78610 CCN(CC)CCNC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc12
78611 CCOC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)C(C)(C)C
78612 Cc1cccn2c1nc(N1CCCCCC1)c(C=O)c2=O
78613 N#Cc1nc(oc1NCCN1CCCCC1)-c1cccc2ccccc12
78614 CCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C
78615 CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc(OC)cc1F
78616 CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc(OC)cc1
78617 CCOc1ccc2nc(NC3=NC(C)(C)CC(C)=N3)nc(C)c2c1 |c:17,t:10|
78618 CN(Cc1ccccc1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1
78619 COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC
78620 CCOC(=O)N1CCc2c(C1)sc(NC(=S)NCC=C)c2C(=O)OCC
78621 CCCCCCCSc1cc(OC)c(CCNC)cc1OC
78622 CCCCCCCSc1cc(OC)c(CCN(C)C)cc1OC
78623 COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)c(OC)c1
78624 CCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1
78625 CCC(=O)N1c2ccc(C)cc2C2=NNC(=S)NC12O |t:13|
78626 Cc1nc(N)sc1C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|
78627 NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12 |w:4.3|
78628 Cc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1
78629 Cc1ccc2[nH]c(=O)c(NC(N)=S)nc2c1
78630 COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)c1cc(Cl)nc(N)n1
78631 CCC(=O)NC(=S)NNC(=O)c1ccc(cc1)[N+]([O-])=O
78632 Brc1ccc(cc1)C(=O)NN1C(=O)c2ccc3CCc4ccc(C1=O)c2c34
78633 COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OC
78634 Clc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1
78635 Cc1ccc(NC(=O)CS(=O)CC(=O)NCCCc2ccccc2)cc1Cl
78636 CCOc1cc(CNCCc2ccc(cc2)S(N)(=O)=O)ccc1OCc1ccc(Cl)cc1
78637 S=c1[nH]cnc2c3ccccc3[nH]c12
78638 CCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
78639 COc1cc(C=NNC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC
78640 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 |w:4.3|
78641 Cc1ccc(CCSc2ccc(cc2)C(C)(C)C)c[n+]1CC(=O)c1ccccc1
78642 CC(=O)c1ccc(Sc2ccc(cc2)C(C)=O)cc1
78643 OC(COCc1ccc(Cl)cc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
78644 COc1ccc(cc1OC)-c1cc(nc(OC)c1C#N)-c1cccs1
78645 Cc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1
78646 Cc1ccc(C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1
78647 CC1=CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cc(C)cc1c23 |t:1|
78648 NC(=S)NNC1=c2ccccc2=NC1=O |c:5,12|
78649 Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
78650 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
78651 CC(=NNC(=O)CSCc1ccc(cc1)[N+]([O-])=O)c1cccc(Br)c1 |w:2.2|
78652 Cc1cccc(c1)C(=O)Oc1ccc(C=NNC(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1
78653 COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1
78654 NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(CC=C)c2=O
78655 Cc1nc2ccccc2c(=O)n1NC(=O)C=Cc1ccc(Br)cc1 |w:15.16|
78656 CCCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
78657 CCCOc1ccc([CH+][N-]NC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc1OCC
78658 COc1ccc(C=NNC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc1OC
78659 Fc1cccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCCC2=CCCCC2)c1 |t:23|
78660 CC1(C)CC(=O)C2C(C3=C(N=C2C1)c1ccccc1C3=O)c1ccc(Cl)cc1 |c:8,10|
78661 CC1=CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23 |t:1|
78662 Clc1ccc(cc1Cl)-c1c[n+](CC(=O)N2c3ccccc3Sc3ccccc23)c2CCCn12
78663 O=C(NCCCn1ccnc1)C(=C/c1cn(nc1-c1cccc(OCc2ccccc2)c1)-c1ccccc1)\C#N
78664 OCc1cc(=O)c(O)c(o1)C(Nc1cccc(c1)[N+]([O-])=O)c1ccccn1
78665 Cc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
78666 CCC(OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccccc1
78667 COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1sc2ccccc2c1Cl
78668 CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(C)cc2s1
78669 Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|
78670 CCNC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:7,14|
78671 [O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)NCC3CCCO3)c2c1 |w:11.11|
78672 Clc1ccc(NC(=O)COC(=O)CCCCCN=C2NS(=O)(=O)c3ccccc23)cc1Cl |w:17.16|
78673 Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
78674 CC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
78675 Oc1ccc2Sc3ccccc3CC(=O)c2c1
78676 Cc1cccc(Nc2cc(C)c3c(cccc3=O)[nH]2)c1C
78677 Cc1ccc2N(Cc3ccccc3)C(=O)C(=NNC(N)=S)c2c1 |w:16.17|
78678 CC1CCN(CC1)c1c(NCc2ccc(cc2)C(=O)N2CCN(CC2)C2CCCCC2)c(=O)c1=O
78679 CCOc1ccc(cc1)-n1c(O)c2n([nH]c(-c3ccccc3)c2c1=O)-c1ccccc1
78680 CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1
78681 Cc1nc(N)sc1C(=O)NN=Cc1ccco1
78682 Oc1ccc(C2=NN=C(NCc3ccc4OCOc4c3)SC2)c(O)c1 |t:5,7|
78683 Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1C
78684 CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc2ccccc2c1)S(=O)(=O)N1CCCCC1
78685 CC(C)(C)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNC(=O)c2ccc(cc2)C(C)(C)C)CC1
78686 FC(F)Oc1ccc(cc1)C(=O)NCc1ccc[n+](CC(=O)Nc2ccc(SC(F)F)cc2)c1
78687 CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)CC1
78688 [#6]-c1nn2c(nc(-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c3ccccc23)c1\[#6]=[#6](\C#N)C#N
78689 CC(C)OCCCNc1nc2c(nnn2c2ccccc12)-c1ccccc1
78690 Nc1ccc2Sc3ccccc3CC(=O)c2c1
78691 CCNC(=S)NNC(=O)c1ccccn1
78692 CC(=O)c1ccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1
78693 C\C(=[NH+]/NC(=O)CSCc1ccc(cc1)[N+]([O-])=O)[c-]1ccccc1=O
78694 Cc1c(nnn1-c1ccccc1)C(=O)NNC(=S)Nc1ccc(C)cc1
78695 COc1ccc(COCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1OC
78696 OC(COCc1ccc2OCOc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
78697 CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1
78698 Cc1ccc(NC(=O)c2ccc(NCCN)c(c2)[N+]([O-])=O)cc1Cl
78699 Fc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
78700 OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
78701 COc1ccccc1[C@H]1[C@@H](N(N=C1c1cccc(C)c1)c1ccccc1)C(=O)N1CCOC1=O |c:12|
78702 CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1
78703 N[C@@H](CO)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1
78704 CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1
78705 CC(=O)Nc1ccc2C(=O)N(C(=O)c2c1)c1cccc(C)c1
78706 OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c2coc3ccccc3c2=O)cc1 |c:11|
78707 CCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1
78708 CCc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=Cc1ccccn1 |w:16.17|
78709 Clc1ccccc1-c1cc([nH]n1)C(=O)NN=Cc1ccccn1 |w:15.16|
78710 Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c2ccc(Cl)cc12
78711 COc1ccc(cc1Br)C(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1
78712 OCCNC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
78713 CC(C)CCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)c1ccco1
78714 O=C1N(CCc2ccccc2)C(=O)c2cccc3cccc1c23
78715 COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O
78716 Cc1ccc(NC2=C(OC(=O)c3ccccc3C)OC(=O)C2Cl)cc1 |c:6|
78717 CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCC3CCCO3)cc12
78718 Cc1cccc(c1)N(C(C(=O)NCC1CCCO1)c1cccs1)C(=O)c1snc(C(N)=O)c1N
78719 Cn1c2ncn(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
78720 COc1ccccc1NC(=O)c1c(cnn1C)N=Cc1ccccc1O |w:17.18|
78721 O=C(N1CCOCC1)C(=O)c1cn(Cc2ccccc2)c2ccccc12
78722 Cc1c(Br)c(nn1CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[N+]([O-])=O
78723 CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCCCO)cc12
78724 COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)cc1OC
78725 CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3cc(C)ccc3C)ccc2n1
78726 CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3ccc(Cl)cc3)ccc2n1
78727 Oc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1
78728 Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)cc1C
78729 CCCCN(C)CCNC(=O)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1
78730 COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)c1
78731 NC(=S)NN=C1C(=O)N(CCCl)c2ccc(Cl)cc12 |w:4.3|
78732 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccccc4)c1C)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2|
78733 NC(=S)NN=C1C(=O)N(CCCl)c2ccccc12 |w:4.3|
78734 NS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(CC=C)c1=O
78735 CC(C)CC(N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
78736 [#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:6.6|
78737 COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)NCc1ccccc1
78738 COc1ccc(OC)c(C=CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 |w:9.8|
78739 Clc1ccc(cc1)C(=O)NNC(=O)CCCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
78740 COCCCNC(=S)NNC(=O)c1ccccn1
78741 Cc1cccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1C
78742 CNCc1cc(Br)c(OCC(=O)Nc2ccccc2OC)c(OC)c1
78743 Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1
78744 Clc1ccccc1Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc12
78745 CC(=O)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
78746 Cc1cc(C)c2nc(cc(C(=O)n3cccn3)c2c1)-c1ccccn1
78747 Fc1ccc(Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc23)cc1
78748 CCCCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1
78749 Cc1ccc2cc3CCN(c3nc2c1)c1ccccc1
78750 O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1
78751 CCOc1ccc(Cl)cc1C=NNC(N)=O |w:11.12|
78752 NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2cccs2)c2ccc(Cl)cc2)c1N
78753 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C/c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
78754 COC(=O)c1c(NC(=S)NN2CCN(C)CC2)sc2CC(C)CCc12
78755 CCCCc1ccc(\C=C(/C#N)C(N)=S)s1
78756 [H]C12CC3([H])CC(CN)(C1)CC(C2)(C3)c1ccc(Cl)cc1 |THB:12:11:5:1.9.2,12:1:5:11.10.13,2:1:10:3.5.13,14:11:5:1.9.2|
78757 [O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2ccncc2)cc1
78758 O=C(CCCCCN1C(=O)c2cccc3cccc(C1=O)c23)NC1CCS(=O)(=O)C1
78759 COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
78760 CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
78761 CCCCCc1ccc(OCCCC[n+]2cccc(C)c2)c(CCCCC)c1
78762 CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
78763 O=C1N(Nc2ccccc2)C(=O)c2cccc3cccc1c23
78764 CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2nc(C)sc2c1
78765 CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CNC(C)(C)C)c(Br)ccc12
78766 [H]C12CC3([H])CC(C)(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccccc4)c1C)(C2)C3 |TLB:5:3:32:6.9.8,THB:7:6:32:3.33.2,5:6:32:3.33.2,2:3:9:1.32.8|
78767 CC(C)CC(N(Cc1ccc2OCOc2c1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC1CCCC1
78768 CN(C)CCCNC(=S)NCCCNc1nc2c(C)cc(C)cc2cc1C#N
78769 O=C(CCc1ccccc1)NNC(=O)c1ccccn1
78770 Cc1cc(C)cc(c1)N(C(C(=O)NCC1CCCO1)c1cccs1)C(=O)c1snc(C(N)=O)c1N
78771 Cc1cc(C)c(NC(=O)C[N+](C)(C)CC(O)COc2cccc3ccccc23)c(C)c1
78772 CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3ccc(F)cc3)ccc2n1
78773 CCN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3ccc(F)cc3)ccc2n1
78774 O=c1n2CCCCCc2nc2ccc(NC(=S)NCCCN3CCC(Cc4ccccc4)CC3)cc12
78775 CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3cccc(Cl)c3)ccc2n1
78776 CN(CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)Cc1ccccc1
78777 O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCC1CCCO1
78778 Cc1ccccc1C(=O)OC1=C(Nc2ccccc2)C(Cl)C(=O)O1 |c:11|
78779 CC(=NNC(=O)CSCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |w:2.2|
78780 O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1
78781 Fc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
78782 Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1
78783 COc1ccc(cc1)-n1nc(C(=O)NCc2cc(OC)ccc2OC)c2c3ccccc3n(C)c2c1=O
78784 Brc1ccc(cc1)C1=NC2(CCCCCC2)NC1=O |t:8|
78785 O=C(NCCCN1CCCC1)c1ccc2SCCN(Cc3ccccc3)c2c1
78786 CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(c1)C(C)(C)CC
78787 Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1
78788 CC(=O)NC(=S)NNC(=O)c1ccc(Br)cc1
78789 CC1CC(C)CN(CCCNC(=O)C2CCN(CC2)c2ncnc3c2sc2cccc(F)c32)C1
78790 COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(O)=O)cc1
78791 CCCN(CCC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
78792 Brc1ccc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1
78793 CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC(C)(C)NC2(C)C
78794 COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CC(C)(C)NC2(C)C
78795 CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCc3ccccc13)c2C(N)=O
78796 COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CC(C)(C)NC2(C)C
78797 Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(-c2ccccc2)n1C
78798 CN(C)CCOC(=O)c1ccc2[nH]c3CCSCc3c2c1
78799 CCCC(N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
78800 COc1cc(cc(OC)c1OC)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1
78801 CC(C)CC(N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
78802 Cc1ccc(o1)C(N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
78803 CCn1c(=O)cc([nH]c1=S)C(F)(F)F
78804 COc1cccc(Cn2cnc3c(c(C)c(C)cc23)[N+]([O-])=O)c1
78805 Cc1nc(N)sc1C(=O)NN=Cc1cccnc1
78806 Cc1cccc(n1)-n1cnc(c1)C(=O)NNC(=S)Nc1ccccc1
78807 S=c1[nH]c2ccccc2c2nc(nn12)-c1cccnc1
78808 Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
78809 COc1cccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1
78810 Brc1ccc2[nH]c(=S)n(Cc3ccc(cc3)C(=O)NCCCN3CCCC3)c(=O)c2c1
78811 COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:20|
78812 COc1ccc(C[C@H]2CN3[C@H](CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1 |c:12|
78813 CCC(C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN=C2N1CCc1cccc(C)c1)c1ccccc1 |c:23|
78814 C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccccc3)CN=C12)NC(=O)CCC1CCCCC1 |t:26|
78815 Oc1ccc(C[C@@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:19|
78816 COc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:21|
78817 CCOc1ccc(cc1)-c1csc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)n1
78818 COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:20|
78819 COc1ccc(C[C@H]2CN3[C@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:20|
78820 Cc1ccc(cc1Br)C(=O)NCCN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12 |t:37|
78821 CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C
78822 CC(C)COC(=O)c1sc(N)nc1C
78823 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Cl)cc1
78824 Clc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2s1
78825 CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12
78826 CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)C(=C\c1ccc2OCOc2c1)\C#N
78827 Clc1ccccc1CNC(=O)COC(=O)Cn1cnc2ccccc2c1=O
78828 CN(C1CCN(C)CC1)C(=O)\C=C\c1cn(nc1-c1cccs1)-c1ccccc1
78829 Cc1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
78830 CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1
78831 Cc1cc(SCC(=O)NC(=O)c2cccn2C)nc2ccccc12
78832 COc1ccccc1NC(=O)Nc1nc(cs1)C(C)(C)C
78833 CCOC(=O)C(NNc1cc(Cl)ccc1Cl)=NC1CCS(=O)(=O)C1 |w:16.17|
78834 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C
78835 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
78836 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
78837 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)C(C)CC
78838 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CO)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
78839 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
78840 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)C(C)CC
78841 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C
78842 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
78843 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
78844 Cl.CCC(C)C(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)C(C)CC
78845 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C
78846 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
78847 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C
78848 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
78849 COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|
78850 COc1cccc(CNc2nc(nc3ccccc23)-c2cccnc2)c1
78851 COc1cc(cc(OC)c1C)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1
78852 O=C1CS(=O)(=O)CC1NNC1C(=O)N(Cc2ccccc2)c2ccccc12
78853 CCN1C(=O)C(=NNC(=S)NCC2CCCO2)c2ccccc12 |w:6.6|
78854 Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NNCC(=O)Nc1cc(F)ccc1F
78855 CN1CCN(CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3n(C)c4ccccc4c23)CC1
78856 Fc1ccccc1N1CCN(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1
78857 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1
78858 Cc1ccc(cc1)-c1noc(CCC(=O)NCC2CCN(Cc3cccc(C)c3)CC2)n1
78859 COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCC2(CC1)OCCO2
78860 NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1
78861 CC(C)(c1ccccc1)c1ccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)cc1
78862 CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
78863 CC(=O)n1cc([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc2ccccc2)c2ccccc12 |c:21|
78864 CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc2ccccc2)c2ccccc12 |c:16|
78865 CC(=O)n1cc([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCC#C)c2ccccc12 |c:21|
78866 CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23
78867 CNC(=O)COC(=O)\C=C\c1cn(nc1-c1ccc(C)o1)-c1ccccc1
78868 CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21
78869 O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccc(cc1)S(=O)(=O)N1CCCC1
78870 [O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc(CNc2ccc(Br)cc2)[n+]2CCCCCc12
78871 O=C1N(Cc2cccnc2)C(=O)c2cccc3cccc1c23
78872 Cc1sc2ncnc(N)c2c1C
78873 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc2cccc(-[#8]-[#6]-c3ccccc3)c2n1 |w:4.3|
78874 Brc1ccc2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:20,t:4|
78875 O=C(CCCCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1ccco1
78876 COc1ccccc1NC(=O)c1c(cnn1C)N=Cc1c(O)ccc2ccccc12 |w:17.18|
78877 O=C(CCCCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1cccnc1
78878 Cc1ccc(cc1)S(=O)(=O)n1cc(C=O)c2ccccc12
78879 Cc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1
78880 CN(C)CCCNc1cc(nc2c(cnn12)-c1ccccc1)C(C)(C)C
78881 CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1
78882 COc1cc2\C(=N\NC(N)=S)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:20|
78883 CN(C)CCCNc1nc2sc3CCCCCc3c2c(=O)n1CCc1ccccc1
78884 CCOC(=O)c1cc(nc2ccc(C)cc12)-c1ccccc1
78885 CCN(CC)Cc1cc2[nH]c3c(cnc4cc(Cl)ccc34)c2cc1OC
78886 COc1ccccc1NC(=O)c1c(cnn1C)\N=C\c1cccc(c1)[N+]([O-])=O
78887 CCCCN(C(=O)c1ccco1)c1nnc(s1)-c1cc(OC)c(OC)c(OC)c1
78888 CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)ccc1c23
78889 COc1cc(cc(OC)c1C)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O
78890 NC1=NC[C@H](Cc2ccccc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
78891 NC1=NC[C@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
78892 [H]C12CC3([H])CC([H])(C1)CC(CCN1[C@@H](Cc4ccc(O)cc4)CN=C1N)(C2)C3 |c:26,TLB:5:3:27:6.9.8,THB:2:3:9:1.27.8,5:6:27:3.28.2|
78893 NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
78894 NC1=NC[C@@H](N1CCCCC1CCCCC1)c1ccccc1 |t:1|
78895 NC1=NC[C@@H](N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |t:1|
78896 CCCC[C@@H]1CN=C(N)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:6|
78897 NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1|
78898 O=S(=O)([#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)c1ccc(-[#7]-[#6](=S)-[#7]\[#7]=[#6](/[#6]-2-[#6]-[#6]2)-[#6]-2-[#6]-[#6]-2)cc1
78899 COCCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:8.7|
78900 O=c1n(-c2ccccc2)c(=S)[nH]c2ccsc12
78901 Cc1ccc2=NC(=O)C(NNC(N)=S)=c2c1 |c:13,t:4|
78902 NC(=S)NN=C1C(=O)N(CCCl)c2ccc(Br)cc12 |w:4.3|
78903 Cc1nc(N)sc1C(=O)NN
78904 Cc1ccc(cc1Br)C(=O)NCCN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccc(O)cc3)CN=C12 |t:38|
78905 COc1ccc(C[C@H]2CN3[C@H](Cc4ccccc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:20|
78906 COc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)cc1 |c:21|
78907 C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1 |t:26|
78908 COc1ccc(C[C@@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 |c:21|
78909 Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1
78910 Cn1c2ccccc2c(OCCCC(=O)NCCN2CCN(CC2)c2ccccc2F)cc1=O
78911 Brc1ccc2[nH]c(=S)n(CCCC(=O)N3CCN(CC3)c3ccccn3)c(=O)c2c1
78912 Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(=O)NCCCn1ccnc1
78913 COC(=O)c1ccc(CN2C(=O)C(=NNC(N)=S)c3ccccc23)o1 |w:13.13|
78914 CCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC1CCCC1
78915 CCC(C)[C@H]1CN=C(N)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:6|
78916 Cc1c(Br)c(nn1C)C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C
78917 Cc1ccc(cc1)C(=O)NNC(=O)c1nn(ccc1=O)-c1ccc(F)cc1
78918 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccccc1Cl
78919 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1
78920 Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F
78921 CCOC(=O)N1CCc2c(C1)sc(NC(=O)CN(CC)CC)c2C#N
78922 [O-][N+](=O)c1cccc(\C=C2/CSc3ccc(Cl)cc3C2=O)c1
78923 Clc1ccc(cc1)C1=NOC2(C1)C(=O)c1cc(Cl)ccc1OC21CCNCC1 |t:8|
78924 COc1ccc(cc1)C(CCN1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
78925 COc1ccc(cc1)C(CCN1CCCC(C)C1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
78926 CCCCCc1cc(=O)oc2c(C(CCN(CC)CC)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12
78927 COc1cc(cc(OC)c1OC)C(CCN1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
78928 CCN(CC)CCC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
78929 CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12
78930 CCCCCc1cc(=O)oc2c(C(CCN(CC)CC)c3ccc(OC)cc3)c(OC)cc(OC)c12
78931 CCN(CC)CCC(c1ccc(cc1)N(C)C)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
78932 CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12
78933 COc1ccc(O)c2c1oc1c3C4C=COC4Oc3cc(OC)c1c2=O |c:14|
78934 COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
78935 CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C)cc1
78936 Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)CO)n1cc(nn1)C(N)COC(=O)C(F)(F)F
78937 Cl.CC[C@H](C)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)C(N)CC(C)C)n1cc(nn1)C(N)COC(=O)C(F)(F)F
78938 CCC(C)[C@H]1CN=C(N)N1CCc1cccc2ccccc12 |t:6|
78939 FC(F)(F)c1cc(CCN2CCNC[C@@H]2Cc2ccccc2)cc(c1)C(F)(F)F
78940 CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
78941 [#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-c2c(oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3c2=O)-c2ccc(-[#8])cc2)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]
78942 Oc1ccc(C[C@@H]2CNCCN2CCCCC2CCCCC2)cc1
78943 C([C@@H]1CNCCN1CC1(CC1)c1ccccc1)c1cccc2ccccc12
78944 CC(C)(C)CN1CCNC[C@H]1Cc1cccc2ccccc12
78945 FC(F)(F)c1cc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)cc(c1)C(F)(F)F
78946 C(C1CCCCC1)N1CCNC[C@H]1Cc1cccc2ccccc12
78947 [H]C12CC3([H])CC([H])(C1)CC(CCN1CCNC[C@@H]1Cc1ccccc1)(C2)C3 |TLB:5:3:26:6.9.8,THB:5:6:26:3.27.2,2:3:9:1.26.8|
78948 C(CCN1CCNC[C@@H]1Cc1ccccc1)CC1CCCCC1
78949 COc1ccc(NC(=O)c2[nH]cnc2C(=O)NCc2ccccc2)cc1
78950 CCC(C)[C@H]1CNCCN1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
78951 [#6]\[#6]=[#6]-1/[#6]-[#8]C([#6]=[#6]-1\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)([#6](=O)-[#7]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)C(F)(F)F |c:6|
78952 Cc1ncc(c(N)n1)S(=O)(=O)c1ccc(Cl)cc1
78953 Nc1ncc(cc1S(=O)(=O)c1ccccc1)[N+]([O-])=O
78954 CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1
78955 ClCCN1CCN(CC1)c1ccnc2cc(Cl)ccc12
78956 Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C
78957 CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
78958 COc1ccc(cc1)-c1csc(NC(C)c2nc3cc(ccc3n2Cc2ccc(C)cc2)C(=O)NCCCO)n1
78959 NCCNc1ccc(cc1[N+]([O-])=O)C(=O)N1c2ccccc2Sc2ccccc12
78960 OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12
78961 Cc1ccnc(NCc2c(O)ccc3ccccc23)c1
78962 [#7]\[#6](-[#7])=[#7]\c1nc(-c2ccccc2)c2cc(Cl)ccc2n1
78963 CCCCCCOc1ccc(cc1)C(C)=NNC1=NCCN1 |w:15.16,t:18|
78964 Cc1cccc2N(C3OC(CO)C(O)C(O)C3O)C(=O)C(=NNC(N)=S)c12 |w:21.22|
78965 CCCC(N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
78966 CC(C)CC(N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C
78967 Cc1nc(N)c2c(Cc3cccc4ccccc34)nn(c2n1)C(C)(C)C
78968 CNCC(O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F
78969 Oc1ccc(Cl)cc1Nc1nc(NCC2CCCO2)c2ccccc2n1
78970 OCCNc1nc(Nc2cc(Cl)ccc2OC2CCCC2)nc(n1)N1CCCC1
78971 CNCC(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F
78972 Oc1c(Cc2cnc[nH]2)[nH]c(=S)n1-c1ccccc1
78973 C[C@]12CCC3C(CC[C@H]4CCCC[C@]34C)C1CC[C@@]2(O)CNCCO
78974 Oc1ccc2ccccc2c1CNc1ccccn1
78975 CCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(C(O)=O)c(=O)c2cc1F
78976 COc1ccc(cc1)C1c2ccc3ccccc3c2Oc2ncn(CCCN(C)C)c(=N)c12
78977 CN(C)CCCn1cnc2Oc3c(ccc4ccccc34)C(c3ccccc3)c2c1=N
78978 CN(C)CCn1cnc2Oc3c(ccc4ccccc34)C(c3ccccc3)c2c1=N
78979 COc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3)c2c1
78980 CCN(CC)CCNC(=O)c1cc2CSc3ccccc3-c2s1
78981 CCCCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O
78982 CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12
78983 CCCCN(C)CCNC(=O)c1cc2c(nn(C)c2s1)-c1cccc(OC)c1
78984 CCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O
78985 COc1ccc(Nc2cc(Nc3cc(OC)c(OC)c(OC)c3)ncn2)cc1
78986 COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)NCCCN(C)Cc1ccccc1
78987 CCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
78988 CCCCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
78989 CCCN(CCC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
78990 COc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O
78991 CN1CCC(CN)(CC1)N1CCN(CC1)c1ccccc1
78992 CCCCN(C)CCCNC(=O)c1cc(nc2ccccc12)-c1cccs1
78993 CCCCN(CC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O
78994 CCc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O
78995 CCn1c2ccccc2c2sc(cc2c1=O)C(=O)NCCN(C)C
78996 COC(=O)c1cc(nc2ccccc12)-c1cccs1
78997 [O-][N+](=O)c1cccc(COC(=O)c2cccnc2Cl)c1
78998 CN(C)C(CNC(=O)c1coc2ccccc2c1=O)c1ccccc1
78999 CN(C)S(=O)(=O)c1cccc(COc2ncnc3c(Cl)cc(Cl)cc23)c1
79000 [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)c(-[#8]-[#6]-c2ccccc2)c1 |w:4.3|
79001 Fc1cccc(CN2C(=O)c3cccc4cccc2c34)c1
79002 CCOC(=O)c1c(oc2ccc(OCC(O)CNCCN(C)C)cc12)-c1ccccc1
79003 CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1
79004 CCC(C)NC(C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1
79005 Cc1ccc(C)c(c1)S(=O)(=O)c1c[nH]c(=S)[nH]c1=O
79006 CCNC(C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1
79007 COc1ccnc2n(C)c(=O)n(Cc3cccc(F)c3)c(=O)c12
79008 COc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1F
79009 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccc(OC)c2)-c2ccc(F)cc2)cc1
79010 COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12
79011 CN(C)c1ccc(NC(=O)CN2CCC(CC2)NC(=O)C2CCCCC2)cc1
79012 CCOc1ccccc1NC(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
79013 Cc1cccc(c1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
79014 NCCc1nc2ccc(Cc3ccc4nc(CCN)[nH]c4c3)cc2[nH]1
79015 CCN(CCCNC(=O)c1cc2c(nn(C)c2s1)-c1cccc(OC)c1)Cc1ccccc1
79016 COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC
79017 COCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F
79018 CCOC(=O)c1c(NC(=O)C(NCCN(C)C)c2ccccc2)sc2CCCCc12
79019 COc1cc(cc(OC)c1OC)-c1cc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1
79020 Cc1nc2cc(Cl)c(cc2n1CCN1CCCCC1)N1CCN(CC1)c1nc(cs1)-c1ccc(C)cc1
79021 CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12
79022 CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12 |w:5.4,9.8|
79023 [H][C@]12[C@H](N(C(=O)CNCCCC)[C@@](C)(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@]1([H])C(=O)N(CC)C2=O)c1ccc(OC)cc1
79024 CC1CCCN(CCCNC(=O)c2cc3COc4cccc(C)c4-c3s2)C1
79025 CC1CCN(CCCNC(=O)c2cc3COc4cccc(C)c4-c3s2)CC1
79026 CC1CC(C)CN(CCCNC(=O)c2cc3COc4ccccc4-c3s2)C1
79027 CCCN1CCN(CCCNC(=O)c2cc3COc4cccc(C)c4-c3s2)CC1
79028 Brc1cccc(Cn2c(=S)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCOCC2)c1
79029 CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)cc1
79030 CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
79031 COc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1
79032 CC1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1
79033 CC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O
79034 COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1
79035 Clc1ccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)cc1
79036 O=C(NCCCN1CCCCC1)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
79037 Cc1ccccc1CN1CCC(CNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1
79038 NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1
79039 Fc1ccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)cc1
79040 Clc1cccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)c1
79041 Fc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl
79042 CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1
79043 CCC(C)N(CCNC(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1)C1CCCCC1
79044 Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc23)CC1
79045 CC1CN(C(=O)CCC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1
79046 CCc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(Cc3ccccc3)CC1)c2=O
79047 Cc1ccc(CN2CCC(CNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)CC2)cc1 |t:21|
79048 Cc1ccc2OCCN(C(=O)CCC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2c1
79049 Cc1nn(C(=O)CCCC(=O)NCc2ccccc2C)c2ccccc12
79050 O=C(NCCCN1CCN(CC1)c1ccccc1)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12
79051 Cc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl
79052 CN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
79053 COc1ccnc2n(C)c(=O)n(Cc3ccc(F)cc3)c(=O)c12
79054 COc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
79055 CCOc1ccc(cc1)N(C(C(C)C)C(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N
79056 Cc1cccc(c1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
79057 CC(C)c1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1ccc(C)o1)C(=O)c1snc(C(N)=O)c1N
79058 CCOc1ccc(cc1)N(C(CC)C(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N
79059 CCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1)C(=O)NC1CCCC1
79060 COc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccc2ncccc2c1)C(=O)c1snc(C(N)=O)c1N
79061 COc1cccc(c1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
79062 Cc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
79063 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1)C(=O)NCC1CCCO1
79064 CCc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
79065 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)C(=O)NC1CCCC1
79066 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F)C(=O)NCC1CCCO1
79067 CCOc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N
79068 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1)C(=O)NC1CCCC1
79069 NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1N
79070 CCc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
79071 Cc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1
79072 CCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
79073 [H]C12CCC(CCN[C@H](CCCC)CN[C@@H](CNC)[C@H](C)CC)(CC1)C2
79074 CNC[C@@H](CC1CCCCC1)NC[C@H](CC(C)C)NCCc1cccc(c1)C(F)(F)F
79075 CCC[C@@H](CN[C@@H](CNC)[C@H](C)CC)NCC1CCC(CC1)C(C)(C)C |wU:3.13,wD:6.5,10.10,(12.42,-4.62,;11.08,-3.85,;11.08,-2.31,;9.75,-1.54,;8.41,-2.31,;8.41,-3.85,;7.08,-4.62,;5.75,-3.85,;4.41,-4.62,;3.08,-3.85,;7.08,-6.16,;8.41,-6.93,;5.75,-6.93,;5.75,-8.47,;9.75,,;11.08,.77,;11.08,2.31,;9.75,3.08,;9.75,4.62,;11.08,5.39,;12.42,4.62,;12.42,3.08,;11.08,6.93,;11.08,8.47,;12.62,6.93,;9.54,6.93,)|
79076 CCOc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1ccc(C)o1)C(=O)c1snc(C(N)=O)c1N
79077 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1)C(=O)NCC1CCCO1
79078 COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
79079 NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2cccc(F)c2)c1N
79080 CCN1CCN(CCNC(=O)c2ccc3nc(-c4cccc(C)c4)c(nc3c2)-c2cccc(C)c2)CC1
79081 O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NCCc1ccccc1
79082 Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
79083 COc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(CC1)N1CCCCC1)c2=O
79084 CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
79085 Fc1ccccc1N1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc23)CC1
79086 CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCc1ccc(OC)cc1)C(=O)NCc1ccc(OC)cc1 |c:16|
79087 COc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccc(C)o1)C(=O)c1snc(C(N)=O)c1N
79088 CCC(C)(C)NC(=O)C(N(Cc1ccc2OCOc2c1)C(=O)c1snc(C(N)=O)c1N)c1ccc(C)o1
79089 Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1)C(=O)NCC1CCCO1
79090 NC(=O)c1nsc(C(=O)N(C(C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c2ccccc2F)c1N
79091 CCOc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F)C(=O)NCC1CCCO1
79092 Cc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N
79093 COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)c1snc(C(N)=O)c1N
79094 CCCC[C@@H](CNC)NC[C@H](NCCCCC1CCCCC1)C(C)C
79095 CNC[C@@H](Cc1ccccc1)NC[C@@H](CC1CCCCC1)NCCCc1ccccc1
79096 [H][C@]12C(N(C(=O)CNC3CCCCC3)[C@@](C)(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@]1([H])C(=O)N(CC)C2=O)c1ccc(OC)cc1
79097 CC[C@H](C)[C@@H](CN[C@H](C)CNC)NCCC(c1ccccc1)c1ccccc1
79098 CC[C@@H](C)[C@H](CN[C@H](CNC)C(C)C)NC[C@@H](C)c1ccc(CC(C)C)cc1
79099 NC(=O)c1nsc(C(=O)N(C(C(=O)NC2CCCC2)c2ccc(O)cc2)c2cccc(F)c2)c1N
79100 CCOc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1
79101 Fc1ccc(cc1)N1CCN(CCCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1
79102 CC1CCCC(C)N1CCCNC(=O)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12
79103 Fc1ccccc1CN1CCC(CNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1
79104 CN1CCN(CCNC(=O)c2ccc3nc(-c4cccc(C)c4)c(nc3c2)-c2cccc(C)c2)CC1
79105 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccccc3)c2c1
79106 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccc(F)cc3)c2c1
79107 Clc1ccc2OCCN(C(=O)CCC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2c1
79108 COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1
79109 CCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
79110 CCC1CCCCN1CCCNC(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12
79111 Clc1ccccc1\C=C1/SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O
79112 CCOC(=O)c1c(NC(=O)COc2ccccc2C#N)sc2c1CC(C)(C)NC2(C)C
79113 CCOc1ccc(cc1)-c1nc(c(NC)o1)S(=O)(=O)c1ccccc1
79114 Brc1cccc(c1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCN1CCOCC1
79115 CCCCCCCNC(=O)C1(CC2CC(=NO2)c2ccc(Cl)cc2)CCNCC1 |c:14|
79116 CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1
79117 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCC1)c2C(N)=O
79118 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCCCN1CCOCC1)c2C(N)=O
79119 CCOC(=O)N1CCN(CC1)C(=O)C(=O)Nc1sc2COC(C)(C)Cc2c1C(N)=O
79120 CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCC1CCCO1)c2C(N)=O
79121 NC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2CCCCc12
79122 COc1ccc(Cl)cc1C=NNC(=O)c1c(C)onc1-c1ccccc1
79123 COc1ccc(CCN(C)C(=O)c2ccc(COc3ccccc3)o2)cc1OC
79124 COC(=O)c1c(NC(=O)C(=O)N2CCCC2)sc2COC(C)(C)Cc12
79125 CCc1ccc(OCC(=O)NNC(=O)c2cnccn2)c(Br)c1
79126 CN(CCNC(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12)Cc1ccccc1
79127 CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1OC
79128 COc1cc(cc(OC)c1OC)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NC1CCN(Cc2ccccc2)CC1
79129 Brc1cccc(c1)C1=NOC(CC2(CCNCC2)C(=O)NCC2CCCCC2)C1 |t:8|
79130 CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
79131 CCCCCCCNC(=O)C1(CC2CC(=NO2)c2cccc(Br)c2)CCNCC1 |c:14|
79132 COc1ccc(cc1)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F)N(C)C
79133 Clc1ccc(cc1)C1=NOC(CC2(CCNCC2)C(=O)NCC2CCCCC2)C1 |t:8|
79134 CCCCCCSc1cc(ccc1OC)-c1nc2cc(C)ccn2c1NC1CCCCC1
79135 CC1(C)Cc2c(C(N)=O)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C(C)(C)N1
79136 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2cc(C)cc(C)c2s1
79137 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc(C)cc(C)c2s1
79138 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1
79139 CN(C)CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc2cc3OCCOc3cc2s1
79140 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)C(=O)c1ccccc1
79141 COc1cc2nc(sc2cc1OC)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
79142 CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC
79143 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2ccc(Br)cc2s1
79144 CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(CC)Cc1ccccc1
79145 CN(C)CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc2cc3OCOc3cc2s1
79146 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1nc2cc3OCOc3cc2s1
79147 Cc1cccc2sc(nc12)N(CCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1
79148 CCc1ccc(O)c(CNCCNCc2cc(CC)ccc2O)c1
79149 CC1(C)Cc2c(sc(NC(=O)c3ccc4OCCOc4c3)c2C(N)=O)C(C)(C)N1
79150 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc3OCOc3cc2s1
79151 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1
79152 CNC(=O)c1ccsc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1
79153 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2cc3OCCOc3cc2s1
79154 CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)C(=O)c1ccccc1
79155 CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCOc3cc2s1
79156 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)c1nc2ccc(Br)cc2s1
79157 CN(C)CCCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1
79158 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ncc(Cl)c(Cl)c1Cl |c:11|
79159 Cc1ncc(C=O)c(CNNC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)c1O
79160 CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)-n1ccnc1
79161 COc1ccc(cc1)-c1cc(C(=O)NCCCN2CCCC2=O)c2ccccc2n1
79162 COc1ccc(cc1)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)N1CCCC1
79163 CC1CN(CC(C)O1)S(=O)(=O)c1cccc(c1)C(=O)N(Cc1nnc(o1)-c1ccccc1Cl)C1CC1
79164 Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2ccccc12
79165 NC(=O)CCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc(cc2[n+]1[O-])[N+]([O-])=O
79166 NC(=O)CCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc(cc2[n+]1[O-])C(F)(F)F
79167 CCOc1ccc(cc1)C(=O)C(C)OC(=O)c1nc(Cl)ccc1Cl
79168 CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1cc(OC)c(OC)c(OC)c1 |c:11|
79169 COC(=O)[C@@]12CCCCN1[C@@H]([C@@H]1[C@H]2C(=O)N(C)C1=O)c1ccc(-c2cc(cs2)C(C)=O)c(OC)c1
79170 O[C@H]([C@H]1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
79171 Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2cc(ccc12)C(F)(F)F
79172 OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
79173 Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1sccc1C#N
79174 CSCCC(NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
79175 FC(F)(F)C1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1
79176 CSCCC(NC(=O)c1ccccc1Br)C(=O)NNC(=O)c1csc(n1)N1CCOCC1
79177 Cl.CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC
79178 Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CO
79179 Cl.CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
79180 CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|
79181 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
79182 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
79183 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1
79184 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6@@H](-[#6])-[#6]-[#6])-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1
79185 NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
79186 NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n2cc(CCCCCN)nn2)nn1
79187 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(C)nn1
79188 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
79189 NCCCCCc1cn(nn1)[C@H](CCC(O)=O)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
79190 NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
79191 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCO)nn1
79192 CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCO)nn1
79193 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CCCCCN)nn1
79194 NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1
79195 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
79196 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1
79197 NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCCC(O)=O)nn1
79198 NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCO)nn1
79199 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#6]-[#6]-[#6](-[#8])=O)nn1
79200 NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(CCO)nn1
79201 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(-[#6]-[#6@@H](-[#6])-[#6]-[#6])nn1
79202 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]
79203 CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCNCC1
79204 CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(CC1)C(C)(C)C |wU:4.3,t:6,(11.01,-6.78,;9.86,-5.75,;8.4,-6.23,;10.18,-4.25,;9.04,-3.22,;7.53,-3.54,;6.76,-2.2,;7.79,-1.06,;7.47,.45,;6.01,.92,;5.69,2.43,;4.22,2.91,;3.08,1.87,;3.4,.37,;4.86,-.11,;9.2,-1.69,;10.53,-.92,;10.53,.62,;9.2,1.39,;9.2,2.93,;10.53,3.7,;11.87,2.93,;11.87,1.39,;10.53,5.24,;10.53,6.78,;12.07,5.24,;8.99,5.24,)|
79205 CN(C)[C@H]1[C@@H]2[C@@H](O)C3C(C(=O)c4c(O)ccc(Cl)c4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O
79206 Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
79207 Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C
79208 COc1cc2CC[C@H](N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC
79209 OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1
79210 CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12
79211 CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1
79212 [H]C12CCN(CC1)[C@H](C(c1ccccc1)c1ccccc1)[C@@H]2NCc1ccccc1I |wD:21.25,7.8,TLB:8:7:2.3:6.5,THB:22:21:2.3:6.5,(14.16,2.4,;13.66,3.85,;9.83,2.16,;10.6,.83,;13.27,2.37,;16.09,1.2,;16.49,2.69,;11.76,5.16,;10.27,5.56,;9.87,7.05,;10.96,8.14,;10.56,9.62,;9.08,10.02,;7.99,8.93,;8.39,7.45,;8.88,4.91,;7.61,5.79,;6.22,5.14,;6.08,3.61,;7.35,2.72,;8.74,3.37,;13.09,5.93,;13.49,7.42,;14.98,7.82,;15.38,9.31,;14.29,10.39,;14.69,11.88,;16.18,12.28,;17.26,11.19,;16.87,9.7,;17.95,8.61,)|
79213 FC(F)(F)c1cc(CO[C@@H]2CCCN[C@@H]2c2ccccc2)cc(c1)C(F)(F)F
79214 CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F
79215 COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
79216 OC(=O)C(F)(F)F.[H][C@@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(cc12)N=C(N)N)ccc3O |wU:24.27,23.22,14.13,8.6,TLB:17:16:24:11.13.12,(9.51,1.33,;8.18,2.1,;8.18,3.64,;6.85,1.33,;5.51,.56,;6.07,2.67,;7.62,,;5.31,11.99,;5.7,13.24,;4.17,13.21,;3.55,14.61,;4.93,15.43,;4.93,16.97,;6.27,17.74,;7.6,16.97,;8.25,18.11,;6.95,16.96,;7.27,18.47,;6.13,19.5,;5.65,20.96,;4.62,19.82,;5.82,16.46,;5.95,15.23,;6.27,14.66,;7.6,15.43,;9.12,15.7,;8.66,14.36,;8.34,12.88,;6.92,12.34,;7,10.84,;8.45,10.44,;9.13,9.03,;10.69,8.92,;11.56,10.23,;10.84,11.63,;9.28,11.7,;13.1,10.15,;13.79,8.77,;15.33,8.69,;12.95,7.48,;3.55,17.8,;2.16,17.01,;2.16,15.4,;.83,14.63,)|
79217 [Cl-].CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(CCC\N=C(/N)[NH3+])nn1)n1cc(CCCC[NH3+])nn1
79218 COc1ccc(C)cc1NC(=O)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1
79219 CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
79220 COc1ccc(OCCCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
79221 Cc1cccc(OCCCC(=O)NNC(=O)c2ccccn2)c1
79222 Cc1ccc(OCCCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1
79223 CCN1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
79224 CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)-c1nc(N)nc(N)n1
79225 FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccncc1
79226 CCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
79227 COc1ccccc1OCCNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
79228 NC(=O)c1ccc(Cn2c(C(=O)c3cc(Cl)c(N)c(Cl)c3)c3ccccc3[n+]2[O-])cc1
79229 COc1ccc(cc1)C(CNC(=O)c1cc2CC(C)CCc2s1)N1CCCC1
79230 COc1ccccc1C(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1
79231 CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccccc2)n1CC=C
79232 CC1CCc2[nH]c3ccc(cc3c2C1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
79233 Fc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1sccc1C#N
79234 CCOc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCCCN2CCOCC2)cc1
79235 COc1ccc(cc1)C(CNC(=O)COc1c(C)cc(C)cc1C)N1CCOCC1
79236 COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1
79237 CSCCC(NC(=O)COc1ccccc1)C(=O)N1CCC(CC1)C(N)=O
79238 CCC1(NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1=O)c1ccccc1
79239 CC(NC(=O)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(N)(=O)=O
79240 Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1
79241 O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 |t:10,24|
79242 CCc1ccc(OCCNc2cc(ccc2[N+]([O-])=O)N2CCNC(C)C2)cc1
79243 NCCCCc1ccc2ccc3cccc4ccc1c2c34
79244 COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)N1CCC1
79245 COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NNCc1c(O)c(C)ncc1C=O
79246 Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccn2)c1
79247 COc1ccccc1NC(=O)COc1ccc(cc1OC)C(=O)NCc1ccccc1
79248 COc1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12
79249 CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
79250 CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1
79252 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1
79253 NCCCC[C@@H](C(=O)N1CCNCC1)n1cc(CN)nn1
79254 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1
79255 [#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
79256 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1
79257 C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n2cc(CCCCCN)nn2)nn1
79258 CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCCCCN)nn1
79259 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(C)nn1
79260 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(C)nn1
79261 CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCCCCN)nn1
79262 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1
79263 NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
79264 COc1ccc2nc(C)cc(N=NCc3ccccc3)c2c1 |w:11.10|
79265 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1
79266 C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(C)nn1
79267 NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1
79268 CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1
79269 COc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCC2)cc1
79270 [#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1
79271 CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
79272 COc1ccc(CN(C)C(=O)Cc2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)cc1OC
79273 [O-][N+](=O)c1cccc(NC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)c1
79274 CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)Cc1cccs1
79275 COc1ccc(cc1)C(CNC(=O)c1ccc(o1)-c1nc2ccccc2s1)N1CCCC1
79276 NC(=O)NC(CC(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1
79277 COc1cccc(NC(=O)CN(C)C(=O)c2cccnc2Nc2cccc(c2)C(F)(F)F)c1
79278 COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1
79279 NC(=O)NC(CC(=O)NNC(=O)c1ccccn1)c1ccccc1Cl
79280 CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2=O
79281 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(Br)cc1 |c:4,31|
79282 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,21|
79283 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccc(Br)cc1 |c:4,26|
79284 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2c[nH]c3ccccc23)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,30|
79285 CCN1C(C)=C([C@@H](N=C1N(C)CCc1c[nH]c2ccccc12)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|
79286 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,29|
79287 Brc1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccccc2)c1=N
79288 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1CCc1ccccc1 |c:4,31|
79289 COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1cccc(F)c1)=NCCc1c[nH]c2ccccc12 |w:25.28,c:4|
79290 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,25|
79291 C(CC1CCCCC1)CN1[C@@H](Cc2ccccc2)CN=C1Nc1ccccc1 |c:21|
79292 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=N[C@H]1c1ccccc1 |c:4,26|
79293 COC(=O)C1=C(C)N(CC2CC2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1ccccc1 |c:4,26|
79294 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2ccccn2)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,26|
79295 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=N[C@H]1c1cccc(F)c1 |c:4,26|
79296 CC(C)(C)C1CCC(CN2[C@@H](Cc3ccccc3)CN=C2Nc2ccccc2)CC1 |wU:10.10,c:20,(10.53,7.78,;10.53,6.24,;12.07,6.24,;8.99,6.24,;10.53,4.7,;9.2,3.93,;9.2,2.39,;10.53,1.62,;10.53,.08,;9.2,-.69,;9.04,-2.23,;10.18,-3.26,;9.86,-4.76,;8.4,-5.24,;8.08,-6.75,;9.22,-7.78,;10.69,-7.3,;11.01,-5.79,;7.53,-2.55,;6.76,-1.21,;7.79,-.07,;7.47,1.44,;6.01,1.91,;5.69,3.42,;4.22,3.9,;3.08,2.87,;3.4,1.36,;4.86,.88,;11.87,2.39,;11.87,3.93,)|
79297 CN(c1ccc(NC(=O)C=C)cc1)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1
79298 CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
79299 CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C
79300 CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
79301 CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1
79302 [#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c(-[#6])c(-[#8])c(-[#8]-[#6@@H]-3-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@@H](-[#8])-[#6@@H]-3-[#8])c3-[#6@@H](-[#6])-[#6]-[#6]-[#6@H]-1-c23
79303 CN1CCN(CC1)C1CCN(Cc2ccc(O)c3ncccc23)CC1
79304 Cc1ccsc1CNc1ncnc2ccc(cc12)-c1c(C)noc1C
79305 CCC(=O)NC(c1cccs1)c1cc(Cl)c2ccccc2c1O
79306 CCC(=O)NC(C)c1cc(Cl)c2ccccc2c1O
79307 CCC(=O)NC(C(C)C)c1cc(Cl)c2ccccc2c1O
79308 CCC(=O)NC(C1CC1)c1cc(Cl)c2ccccc2c1O
79309 CC(NC(C)=O)c1cc(Cl)c2ccccc2c1O
79310 CC(C)C(NC(C)=O)c1cc(Cl)c2ccccc2c1O
79311 CC(=O)NC(c1ccco1)c1cc(Cl)c2ccccc2c1O
79312 CC(=O)NC(c1cccs1)c1cc(Cl)c2ccccc2c1O
79313 COc1ccccc1-c1oc2ccccc2c1C#CC1(N)CCCCC1
79314 CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1
79315 COc1cc(OC)cc(c1)C#Cc1c(-c2cncn2C)n(C)c2ccc(Br)cc12 |(8.87,6.78,;8.4,5.32,;9.42,4.17,;10.93,4.49,;11.96,3.34,;13.47,3.66,;13.94,5.12,;11.48,1.88,;9.97,1.56,;8.95,2.71,;9.5,.1,;9.02,-1.37,;8.54,-2.83,;9.44,-4.07,;10.98,-4.07,;11.88,-2.82,;13.35,-3.3,;13.35,-4.84,;11.88,-5.32,;11.41,-6.78,;8.54,-5.31,;9.02,-6.77,;7.08,-4.84,;5.75,-5.61,;4.41,-4.84,;4.41,-3.3,;3.08,-2.53,;5.75,-2.53,;7.08,-3.3,)|
79316 COc1ccc(cc1)-c1c(oc(=O)c2cc(OC)c(OC)cc12)-c1ccc(cc1)C#N
79317 C(CCN1CCNC[C@H]1Cc1cccc2ccccc12)CC1CCCCC1
79318 C(Cc1cccc2ccccc12)N1CCNC[C@H]1Cc1cccc2ccccc12
79319 FC(F)(F)c1cc(CCN2CCNC[C@@H]2c2ccccc2)cc(c1)C(F)(F)F
79320 FC(F)(F)c1cc(CCN2CCNC[C@@H]2CC2CCCCC2)cc(c1)C(F)(F)F
79321 NC[C@H](Cc1ccccc1)NCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
79322 C[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:21|
79323 C[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:21|
79324 CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](Cc3ccccc3)CN=C2N)C(=N)N1CCCC1CCCC1 |c:28|
79325 CC(C)[C@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:23|
79326 CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](Cc3ccccc3)CN=C2N)C(C)C)C(=N)N1CCCC1CCCC1 |c:27|
79327 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:23|
79328 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:23|
79329 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:23|
79330 CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |t:6|
79331 CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |t:6|
79332 CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:24|
79333 Oc1cc(cc2cccnc12)-c1ccc(cc1)C(=O)N1CCNCC1
79334 CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1
79335 Oc1cc(Nc2ccncc2)cc2cccnc12
79336 C[C@@H]1CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN1
79337 [H][C@@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6ccc7Oc8c(OC)cc(CCN1C)c2c8Oc7c56)ccc4OC)cc3
79338 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 |t:4,TLB:2:4:11:8.9|
79339 COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1OCc1ccccc1 |t:4,TLB:2:4:11:8.9|
79340 [H]C12CC3([H])CC([H])(C1)CC(CCN1CCNC[C@H]1Cc1cccc4ccccc14)(C2)C3 |TLB:8:1:31:6.9.5,8:6:31:1.30.2,THB:2:1:9:3.31.5|
79341 CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](Cc3ccccc3)CN=C2N)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:28|
79342 COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(SC)cc1
79343 COc1ccc(cc1)-c1oc(=O)c2cc(OC)c(OC)cc2c1C#CC1(O)CCCCC1
79344 [H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1ccccc1OC |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
79345 [H]C12CC3([H])CC([H])(C1)CC(CC(=O)NCC(=O)Nc1ccccc1OC)(C2)C3 |TLB:8:1:28:6.9.5,8:6:28:1.27.2,THB:5:6:27:3.28.2|
79346 CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1
79347 CC1CC(OC2OC(C)C(OC3OC(COC(C)=O)C(O)C(O)C3O)C(O)C2O)[C@]2(C)C(CCC=C2C)[C@@]1(C)CC[C@](C)(OC1OC(C)C(O[C@@H]2O[C@@H](C)C(O)C(O)[C@H]2O)C(O)C1O)C=C |c:36|
79348 NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(CN)nn1
79349 [#6]-[#6]-[#6@@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#7])nn1
79350 NCCCC[C@H](N)c1cn(nn1)[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1
79351 C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(nn1)[C@@H](N)CCCCN
79352 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1
79353 NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CN)nn1
79354 [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@H](-[#6])-[#6]-[#6]
79355 [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#6@@H](-[#6])-[#8])-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]
79356 [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O
79357 [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O
79358 [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@@H](-[#6])-[#6]-[#6]
79359 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)[C@@H](N)CCCCN
79360 C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)O)n1cc(nn1)[C@@H](N)CCCCN)n1cc(nn1)[C@@H](N)CCCCN
79361 C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O)n1cc(nn1)[C@@H](N)CCCCN
79362 CC(C)[C@H](N)c1cn(nn1)[C@@H](CO)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)O)n1cc(nn1)[C@@H](N)CCCCN
79363 NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O)n1cc(nn1)[C@@H](N)CC(N)=O
79364 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O
79365 CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CO)n1cc(nn1)[C@@H](N)C(C)C
79366 COc1ccc(cc1)-c1sc2ccccc2c1C#Cc1cncn1C
79367 COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccccc1OC
79368 COc1ccc2sc(c(C#CC3(N)CCCCC3)c2c1)-c1cc(OC)cc(OC)c1
79369 COc1ccccc1-c1sc2cc3OCOc3cc2c1C#Cc1cncn1C
79370 Cn1cncc1C#Cc1c(sc2ccccc12)-c1ccc(cc1)S(C)(=O)=O
79371 CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NCCCN1CCOCC1
79372 COc1ccccc1-c1sc2cc3OCOc3cc2c1-c1ccc(OCCN2CCCCC2)cc1
79373 COc1ccccc1-c1sc2cc(OC)c(OC)cc2c1-c1ccc(OCCN2CCCCC2)cc1
79374 CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccsc1
79375 COc1ccc2sc(c(-c3ccc(OCCN4CCCC4)cc3)c2c1)-c1ccccc1OC
79376 COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
79377 Cc1c(CCOC(=O)c2ccc(Cl)cc2Cl)sc[n+]1CC(=O)c1ccc(Br)cc1
79378 CC1CCCC(NC(=O)CSc2ncnc3ccccc23)C1C
79379 COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1ccc(Cl)nc1
79380 CCCCOc1ccc(cc1OC)C(=O)NNC(=O)c1cnccn1
79381 Clc1cccc(NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
79382 [O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCCn1ccnc1
79383 Cc1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1
79384 O=C(COc1ccc(cc1)C#N)NNC(=S)NC(=O)C1CC1
79385 CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C
79386 CCOc1ccccc1NC(=O)COc1cccnc1[N+]([O-])=O
79387 CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |t:6|
79388 CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:23|
79389 CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C(C)C)C(=N)N1CCCC1CCCC1 |c:23|
79390 CCCCN1[C@H](Cc2ccccc2)CN([C@@H](CCC)CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C1=N |c:35|
79391 CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:19|
79392 CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|
79393 CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:19|
79394 CC(C)[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |t:5|
79395 CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:20|
79396 CC(C)[C@H](CN1CCC[C@H]1CN1[C@@H](CN=C1N)C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:15|
79397 CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:19|
79398 CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCCC1CCCC1 |c:19|
79399 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](CN=C1N)C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:15|
79400 CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](CN=C1N)C(C)C)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:15|
79401 NC1=NC[C@@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|
79402 Cc1ccc2N(C3CC[N+](C)(CC(=O)c4ccc(Cl)cc4Cl)CC3c2c1)C(=O)c1ccc(F)cc1
79403 NCCCNCCCCNCCCN
79404 C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2OC(=O)[C@H](N)CCCCN
79405 CC(C)[C@H](N)c1cn(nn1)[C@@H](CO)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)[C@@H](N)CCCCN
79406 COc1ccc2OC3(C=Cc2c1)N(CCO)c1ccccc1C3(C)C |c:8|
79407 COC(=O)[C@@H](N)CS
79408 CCCCC\C=C/C[C@H](O)\C=C\c1cccc(C[C@H](O)CCCCO)n1
79409 COc1ccc(\C=C/C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1OC
79410 CSCCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
79411 COc1ccc(O)c(c1)C(=O)\C=C\c1cc2ccccc2o1
79412 COc1ccc(\C=C2/CC\C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1OC
79413 CC(C)N1C(=O)C(=Cc2nc3ccccc3c(=O)[nH]2)c2ccccc12 |w:7.7|
79414 COc1ccccc1C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
79415 Brc1ccc(cc1)C(=O)CN1CCn2c(cs[c+]12)-c1cccs1
79416 CCOc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(OC)c(OC)cc2[N+]([O-])=O)C1=O |w:16.17|
79417 Brc1cccc(\C=C2/SC(=S)N(CC(=O)Nc3cccnc3)C2=O)c1
79418 Cc1ccc(cc1)C1=NOC(=O)\C1=C/C=C/c1ccccc1 |t:8|
79419 COC(=O)C1=C(C)N(Cc2ccco2)C(=O)\C1=C/c1ccc(cc1)[N+]([O-])=O |c:4|
79420 CCOc1cc2C(=O)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:17|
79421 CC1(C)CC(C)(c2ccccc2)c2cccc3C(=O)C(=O)N1c23
79422 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccccc1-[#8]-[#6])\[#6](=O)-[#8]-[#6]-[#6]
79423 O=C(NCc1ccccc1)C(=C/c1ccccc1)\C#N
79424 COc1ccc(\C=C\C(=O)c2cc3cccc(OC)c3oc2=O)cc1
79425 COc1ccc(C(=O)\C=C\c2cc(cc3COCOc23)C(O)=O)c(O)c1
79426 O=C(\C=C\c1ccc2OCOc2c1)c1ccccn1
79427 COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
79428 Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1
79429 COc1ccc(cc1OC)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1
79430 COc1ccc2C(CC(=O)c3ccc(cc3)N(C)C)OC(=O)c2c1OC
79431 COc1ccc(Nc2ncc(C(=O)N3CCN(CC3)c3ccc(F)cc3)c3ccccc23)cc1
79432 Oc1c(Cl)c(N=CC=C)c(O)n1-c1cccc(Cl)c1Cl |w:5.4,(3.08,-1.1,;4.54,-.62,;5.02,.84,;4.12,2.09,;6.56,.84,;7.47,2.09,;6.84,3.49,;7.74,4.74,;7.12,6.15,;7.04,-.62,;8.5,-1.1,;5.79,-1.53,;5.79,-3.07,;7.12,-3.84,;7.12,-5.38,;5.79,-6.15,;4.46,-5.38,;3.12,-6.15,;4.46,-3.84,;3.12,-3.07,)|
79433 [H]C12C=CC([H])(C3CC13)C1C2C(=O)N(C2CCC(CC2)C(=O)Nc2ccc(Cc3ccncc3)cc2)C1=O |c:2,TLB:11:10:8.6:2.3,7:6:9.10:2.3,THB:7:8:9.10:2.3,36:9:8.6:2.3,(8.4,5.42,;7.69,4.79,;7.12,6.87,;5.78,6.1,;7.29,3.3,;7.93,4.01,;4.62,1.76,;3.08,1.76,;3.85,3.1,;10.11,2.14,;10.51,3.62,;12.04,3.7,;12.88,4.99,;12.58,2.27,;14.07,1.87,;14.47,.38,;15.96,-.01,;17.05,1.07,;16.65,2.56,;15.16,2.96,;18.53,.68,;19.62,1.76,;18.93,-.81,;20.42,-1.21,;21.51,-.12,;23,-.52,;23.4,-2.01,;24.88,-2.41,;25.28,-3.89,;26.77,-4.29,;27.17,-5.78,;26.08,-6.87,;24.59,-6.47,;24.19,-4.98,;22.31,-3.1,;20.82,-2.7,;11.4,1.31,;11.48,-.23,)|
79434 COc1ccc(cc1)-c1cc(C(=O)OC2CCOC2=O)c2ccccc2n1
79435 CCOC(=O)C(C=Nc1cc(OC)ccc1OC)C#N |w:7.7|
79436 COC(=O)c1[nH]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c12 |(13.99,-5.79,;13.51,-4.33,;12.01,-4.01,;10.98,-5.15,;11.53,-2.54,;12.43,-1.3,;11.53,-.07,;12.01,1.4,;10.98,2.54,;11.46,4.01,;12.96,4.33,;13.44,5.79,;13.99,3.18,;13.51,1.72,;10.07,-.53,;8.61,-.06,;8.13,1.41,;7.7,-1.3,;6.16,-1.3,;5.39,-2.64,;3.85,-2.64,;3.08,-1.3,;3.85,.03,;5.39,.03,;6.16,1.36,;5.39,2.7,;8.61,-2.55,;8.13,-4.02,;10.07,-2.07,)|
79437 CCOc1ccc(NC=C2C(=O)CC(CC2=O)c2ccco2)cc1 |(3.08,-8.82,;3.08,-7.28,;4.41,-6.51,;4.41,-4.97,;3.08,-4.2,;3.08,-2.66,;4.41,-1.89,;4.41,-.35,;5.75,.42,;5.75,1.96,;7.08,2.73,;8.41,1.96,;7.08,4.27,;5.75,5.04,;4.41,4.27,;4.41,2.73,;3.08,1.96,;6.52,6.38,;5.89,7.79,;7.04,8.82,;8.37,8.05,;8.05,6.54,;5.75,-2.66,;5.75,-4.2,)|
79438 COc1cccc(NC(=O)c2ccnc(c2)N2CCC(CC2)C(=O)NCc2cc(OC)ccc2OC)c1
79439 OC(=O)CCN1C(=S)S\C(=C\c2cccc(OCc3ccccc3)c2)C1=O
79440 CCn1cnc2n(Cc3ccccc3)c(=O)n(Cc3cccc(c3)[N+]([O-])=O)c(=O)c12
79441 CCOc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccco1
79442 Cc1ccc(o1)C(=O)C1C(N(C(=O)C1=O)c1nc2ccc(C)cc2s1)c1ccco1
79443 COc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1ccc(C)o1
79444 CC(=O)N1N=C(CC1c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 |c:4|
79445 OC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
79446 OC(=O)CCN1C(=S)S\C(=C/c2ccc(cc2C(F)(F)F)C(F)(F)F)C1=O
79447 OC(=O)CCN1C(=S)S\C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O
79448 OC(=O)CCN1C(=S)S\C(=C/c2ccc(F)cc2F)C1=O
79449 CCCCOC(=O)CCN1C(=S)S\C(=C/c2ccccc2)C1=O
79450 OC1CCCN(Cc2c(nc3ccccn23)C(=O)N2CCN(CC2)C2CCCCC2)C1
79451 CN1CCN(CC1)S(=O)(=O)c1ccc(Sc2nc3ccccc3[nH]2)c2nsnc12
79452 COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(C)cc3)c(=O)c2c1
79453 COc1ccccc1-n1cc(cc(C#N)c1=O)C(=O)c1cc(Cl)ccc1O
79454 CCOc1ccc(cc1)C1N(Cc2cccn2-c2ncccn2)CCc2c1[nH]c1ccccc21
79455 COc1cccc(Cn2nc3c(cn(Cc4ccc(F)cc4)c4ccc(F)cc34)c2=O)c1
79456 Clc1ccccc1NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
79457 [O-][N+](=O)c1cccc(NC(=O)CSc2nc(=O)n(CCN3CCOCC3)c3CCCCc23)c1
79458 CCOc1cccc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)c1
79459 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C#N
79460 CC(NC(=O)COc1ccc(C)nc1[N+]([O-])=O)c1ccc(Cl)cc1Cl
79461 CCc1ccc(NC(=O)C(C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1
79462 Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2ccnc(c2)C(C)(F)F)cnc1Cl
79463 COc1ccc(OCCOc2ccc(C)nc2[N+]([O-])=O)cc1
79464 CCNC(=O)NC(=O)C(C)OC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
79465 Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2cccc(c2)C(F)F)cnc1Cl
79466 Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(n1)[N+]([O-])=O
79467 Cc1ccc(OCc2c(Cl)cccc2Cl)c(n1)[N+]([O-])=O
79468 Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(n1)[N+]([O-])=O
79469 COc1ccc(CNC(=O)C(C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1
79470 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1nc(cs1)-c1ccccc1
79471 Cn1cc(cc(N2CCOCC2)c1=O)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)cnc1Cl
79472 CCCc1ccc(cc1)C(=O)C(C)OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl
79473 Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
79474 Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2F)c(n1)[N+]([O-])=O
79475 Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(n1)[N+]([O-])=O
79476 COc1ccc(cc1C(F)(F)F)C(=O)Nc1cnc(Cl)c(c1)-c1cc(N2CCOCC2)c(=O)n(C)c1
79477 Cc1ccc(OCc2cccc(COc3ccc(C)nc3[N+]([O-])=O)c2)c(n1)[N+]([O-])=O
79478 Cc1ccc(Oc2ncc(Cl)cc2Cl)c(n1)[N+]([O-])=O
79479 Cc1ccc(OCc2cc3ccc(C)c(C)c3nc2Cl)c(n1)[N+]([O-])=O
79480 CCNC(=O)NC(=O)C(C)OC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1
79481 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)NCc1ccc(C)cc1
79482 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)Nc1ccccc1C(C)=O
79483 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)NCc1cccs1
79484 CC(OC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)NCc1ccc(C)cc1
79485 CC(C)Cn1nc(C)c(C(=O)OC(C)C(=O)Nc2ccccc2)c1Cl
79486 Cc1cc(C)cc(OCCOc2ccc(C)nc2[N+]([O-])=O)c1
79487 Cc1ccc(OCc2cn3cc(Cl)ccc3n2)c(n1)[N+]([O-])=O
79488 CN(CCOc1ccc(Cl)cc1)C(=O)COc1ccc(C)nc1[N+]([O-])=O
79489 CCNC(=O)NC(=O)C(C)OC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1
79490 CC(OC(=O)c1c(C)nn(Cc2ccccc2)c1Cl)C(=O)NCc1ccccc1
79491 CC(Oc1ccc(C)nc1[N+]([O-])=O)C(=O)Nc1ccc(Cl)cc1Cl
79492 Cc1ccc(OCc2ccc(Cl)cc2)c(n1)[N+]([O-])=O
79493 Cc1ccc(OCC(=O)Nc2cccc(Cl)c2)c(n1)[N+]([O-])=O
79494 CC(Oc1ccc(C)nc1[N+]([O-])=O)C(=O)Nc1cc(Cl)ccc1Cl
79495 CC(OC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl)C(=O)NCc1ccccc1
79496 CCCC[N+](C)(C)CCC(=O)NC(C)(C)CS([O-])(=O)=O
79497 OC(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1
79498 OC(=O)Cc1ccc(cc1)-n1cccc1
79499 O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC(=O)CN1CCCC1=O
79500 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13|
79501 CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1
79502 CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
79503 CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(OC)cc2)C(N)=O)C1 |t:15|
79504 CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O
79505 CCOc1ccc(CCNC(=O)C2CC(C)=CCC2C(O)=O)cc1OCC |c:15|
79506 CCc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c1
79507 CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c(C)c1
79508 COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1
79509 COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O
79510 Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1
79511 CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl
79512 CCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
79513 OC(=O)C1CCCCC1C(=O)Nc1cccc(Br)c1
79514 [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(5.85,4.65,;5.85,3.11,;4.52,2.34,;7.18,2.34,;7.18,3.88,;8.52,4.65,;9.85,3.88,;9.85,2.34,;8.52,1.57,;8.52,.03,;9.85,-.74,;11.23,.08,;12.62,-.71,;13.95,.06,;12.62,-2.32,;13.95,-3.09,;11.23,-3.11,;11.21,-4.65,;9.85,-2.28,;8.52,-3.05,;7.18,-2.28,;5.81,-3.11,;5.82,-4.65,;4.41,-2.32,;3.08,-3.09,;4.41,-.71,;3.08,.06,;5.81,.08,;7.18,-.74,)|
79515 CC1Cc2cc(ccc2N1C(=O)C1CC1)-c1nc(NC(=O)c2ccco2)sc1C
79516 Cc1ccc(c(C)c1)-n1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1
79517 CCC(C)NC(=O)c1c(N)n(N=Cc2cccnc2)c2nc3ccccc3nc12
79518 CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1
79519 CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(ccc12)S(N)(=O)=O
79520 Fc1ccccc1-c1nc2cc(NC(=O)c3ccc4OCCOc4c3)ccc2o1
79521 O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cc2ccccc2o1
79522 CCCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCC(Cc2ccccc2)CC1
79523 CCOC(=O)c1ccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)cc1
79524 COc1cc2CC(C)(C)N=C(SC)c2cc1OC |t:9|
79525 CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)c2ccc3OCCOc3c2)cc1Cl
79526 Cc1cc2\C(=C\C(=O)c3ccc(Br)s3)C(=O)Nc2c(C)c1
79527 CC1=C(C(CC(=O)N1)c1cc2OCOc2cc1Br)C(=O)OC1CCCCCCC1 |t:1|
79528 Clc1ccc(cc1)C(=O)CN(N1C(=O)C2CCCCC2C1=O)C(=O)c1ccc(Cl)cc1
79529 CC(=O)n1cc(C(C[N+]([O-])=O)SCCN)c2ccccc12
79530 C(N1CCC(CC1)Nc1nc(nc2ccccc12)-c1ccccc1)c1ccccc1
79531 Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1 |t:8|
79532 Cn1cc(c(n1)C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1)[N+]([O-])=O
79533 Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C1=O |w:14.15|
79534 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)-[#6](=O)-[#6]1
79535 Cc1cc(C)cc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1
79536 CC1(C)CC(=O)C(C(C2C(=O)CC(C)(C)CC2=O)c2ccc(Br)s2)C(=O)C1
79537 O=C(NN=Cc1c[nH]c2ccccc12)C1CC1(c1ccccc1)c1ccccc1 |w:3.2|
79538 Cc1cc(C)cc(c1)N1C(=O)NC(=O)C(=Cc2cccn2-c2ccccc2)C1=O |w:15.16|
79539 CC(N=Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1)c1ccc(O)cc1 |w:3.3|
79541 CCc1ccc2NC(=O)C3(N4CCCC4C(C(=O)c4ccc5ccccc5c4)C33C(=O)Nc4ccccc34)c2c1
79542 [H]C12CC([H])(C=C1)C1C2C(=O)N(C1=O)c1ccc2nc(SCC(=O)Nc3ccc(cc3)C(=O)OC)sc2c1 |c:5,TLB:12:7:2:5.6,THB:9:8:2:5.6|
79543 COc1cccc(OC)c1C(=O)Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccncc1
79544 COc1ccc(cc1)C(C[N+]([O-])=O)n1nc(C)cc1C
79545 Cc1cc(ccc1\C=C/[N+]([O-])=O)N1CCOCC1
79546 O=C(NN=Cc1cn(nc1-c1cc2ccccc2o1)-c1ccccc1)c1cccnc1
79547 Cc1ccc2nc(nc(N=NCc3cccc(c3)[N+]([O-])=O)c2c1)C(Cl)(Cl)Cl |w:9.8|
79548 CC(C)Cn1c(N)c(C(=O)CSc2cc(Cl)ccc2Cl)c(=O)n(C)c1=O
79549 CC(=O)Nc1cccc(c1)C(=O)\C=C\c1ccc(Br)cc1
79550 [O-][N+](=O)c1cccc(c1)C(=O)\C=C\c1ccccc1F
79551 Fc1ccccc1C(=O)Oc1ccccc1\C=C/C(=O)c1cc2ccccc2o1
79552 CCc1cccc(CC)c1-n1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccnc1 |(4.01,-2.51,;5.04,-1.37,;6.55,-1.69,;6.23,-3.19,;7.37,-4.22,;8.84,-3.75,;9.16,-2.24,;10.62,-1.77,;11.76,-2.8,;8.01,-1.21,;8.33,.3,;9.74,.92,;11.07,.15,;12.41,.92,;13.74,.15,;13.74,-1.39,;15.07,.92,;15.07,2.46,;16.41,3.23,;17.74,2.46,;19.12,3.28,;20.51,2.49,;20.51,.89,;19.12,.1,;17.74,.92,;16.41,.15,;9.58,2.45,;8.07,2.77,;7.3,1.44,;5.89,2.07,;5.73,3.6,;4.33,4.22,;3.08,3.32,;3.24,1.79,;4.65,1.16,)|
79553 [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)\C=C\C(=O)OCC(=O)NC12CC3([H])CC([H])(CC([H])(C3)C1)C2 |TLB:33:34:40:31.30.39,39:31:41:37.40.36,8:6:12:1.11.2,8:1:12:6.9.5,THB:33:31:40:34.41.36,2:1:9:3.12.5|
79554 CC(C)c1ccc(Nc2nnc(SC3CCOC3=O)s2)cc1
79555 Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
79556 COC(=O)c1cc(=O)n(-c2ccc(F)cc2)\c(=N\c2ccc(F)cc2)s1
79557 COc1ccccc1N1CCN(CC1)c1nc(nc2cc(OC)c(OC)cc12)C1CCC1
79558 CCOc1cc(\C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1 |c:11|
79559 CCOc1ccc(cc1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1
79560 CC(C)c1ccc(cc1)N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O |w:16.17,18.19|
79561 Oc1ccc(C=NNC(=O)CNC(=O)COc2ccccc2)c(O)c1 |w:6.6|
79562 c1ccc(cc1)-c1cc(-c2ccccc2)[n+](-c2ccccc2)c(c1)-c1ccccc1
79563 Cc1ccc(cc1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1
79564 COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCN(Cc2ccccc2)CC1
79565 CCOc1cc(\C=C2\C(=O)ON=C2C)ccc1OCc1ccccc1 |c:11|
79566 COc1ccc(cc1OC)-c1csc(n1)N1CCN(CC1)c1cc(C)nc2ccccc12
79567 CCCCCCCCCn1c2CCCc2c(=N)c2CCCCc12
79568 CN(C)c1ccc(cc1)-n1cccc1\C=C\[N+]([O-])=O
79569 CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CN(CC)CC)c(Br)ccc12
79570 COc1cc2n(Cc3cccc(F)c3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1
79571 COc1cccc2sc(=NC(=O)c3cccc(c3)-n3c(O)ccc3O)n(CC=C)c12 |w:9.9|
79572 Cc1ccc2n(CC(O)CNC3CCCCC3)c3CCCCc3c2c1
79573 CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
79574 COc1cc(CN=Nc2nc(cs2)-c2ccc(cc2)S(=O)(=O)N(C)C)ccc1O |w:7.7|
79575 O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#16]-c3ccccc3)o2)-[#6](=O)-[#7]-1
79576 COc1cc(OC)c2cc([nH]c2c1)C(=O)NN=Cc1cccc(OC)c1O |w:16.17|
79577 [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1
79578 Fc1ccc(CCN2C(=O)NC(=O)\C(=C/C=C/c3ccccc3)C2=O)cc1
79579 CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(N=NCc2ccco2)n1 |w:16.16|
79580 COc1ccc(cc1)C(CCN1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
79581 Clc1ccc(cc1)C(=O)C(CN1CCCCC1)c1ccccc1
79582 Brc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
79583 COC(=O)COc1ccc(C=NNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
79584 Oc1ccc(cc1)-c1cc(nc(n1)-c1ccccc1)-c1ccc(O)cc1
79585 Fc1ccc(cc1F)C(=O)\C=C\c1cccnc1
79586 CCOC(=O)c1cc(ccc1Cl)-c1ccc(C=c2c(=C)[nH]n(-c3ccc(cc3)C(O)=O)c2=O)o1 |w:16.16|
79587 Oc1ccc(C=NNC(=O)CNC(=O)C=Cc2ccccc2)c(O)c1 |w:6.6,15.15|
79588 Oc1ccc(cc1)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2Cl)cc1
79589 [Na+].[H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C([O-])=O
79590 C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1
79591 CCCCNc1c(nc2ccccn12)-c1ccc(OC)c(Sc2ccc(OC)cc2)c1
79592 Oc1ccc(cc1)-[n+]1c(cc(cc1-c1ccccc1)-c1ccccc1)-c1ccccc1
79593 Cc1ccc(cc1)-c1cc(cc(-c2ccccc2)[n+]1-c1ccccc1)-c1ccccc1
79594 COc1cc(C(=O)\C=C\c2cccnc2)c(cc1OC)[N+]([O-])=O
79595 CCCOc1ccc(cc1OCCC)C(=O)c1ccccc1C(=O)OC1CCOC1=O
79596 CCCCNc1c(nc2ccc(C)cn12)-c1ccc(OC)c(SC(C)CC)c1
79597 CCCCNc1c(nc2ccccn12)-c1cccc(Sc2ccc(OC)cc2)c1
79598 Clc1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)N1CCC(Cc2ccccc2)CC1
79599 C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1cccc(Cl)c1)c1ccccc1
79600 C[C@@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)c1ccccc1
79602 COC(=O)c1ccc(\C=C\C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
79603 Cc1cc(C)n(n1)C(=O)c1sc2cc(F)ccc2c1Cl
79604 Cc1cc(Cl)c(OCCCSc2nc(C)cc(=O)[nH]2)c(Br)c1
79605 COc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)Nc1ccc(cc1)C(C)=O
79606 OC(=O)C1CCC(Cn2c(SCc3cc(=O)n4cc(Cl)ccc4n3)nc3ccsc3c2=O)CC1 |(4.41,-5.21,;4.41,-3.67,;3.08,-2.9,;5.75,-2.9,;7.08,-3.67,;8.41,-2.9,;8.41,-1.36,;9.75,-.59,;9.75,.95,;11.08,1.72,;12.42,.95,;13.75,1.72,;15.08,.95,;15.08,-.59,;16.42,-1.36,;16.42,-2.9,;17.75,-.59,;19.13,-1.41,;20.52,-.62,;21.85,-1.4,;20.52,.98,;19.13,1.77,;17.75,.95,;16.42,1.72,;11.08,3.26,;9.75,4.03,;9.43,5.53,;7.9,5.69,;7.28,4.29,;8.41,3.26,;8.41,1.72,;7.08,.95,;7.08,-.59,;5.75,-1.36,)|
79607 CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(F)c(c1)C(=O)Nc1ccc(F)c(F)c1
79608 CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccccc2[nH]1
79609 Oc1c2CC=C(Cl)Cc2c(O)n1-c1ccc(cc1)C(=O)N1CCCCC1 |t:4|
79610 CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCC1
79611 [H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1 |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
79612 CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CCCCC2)c1
79613 COCc1c(oc2ccccc12)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
79614 Clc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NCC1CCCCC1
79615 Cc1ccccc1C(=O)N1CCC(CC1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCCCC1
79616 CN(CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1)Cc1ccc2OCOc2c1
79617 CC1CC(C)CN(C1)c1cc(C)c2ccccc2n1
79618 CCN(CC)c1cc(C)c2ccccc2n1
79619 COc1ccccc1N1CCN(CC1)c1cc(C)c2ccccc2n1
79620 Cc1cc(nc2ccccc12)N1CCN(CC1)c1ccccc1C#N
79621 Cc1cc(nc2ccccc12)N1CCOc2ccccc12
79622 Cc1cc(nc2ccccc12)N1CCCC(O)C1
79623 CCc1ccc2nc(cc(C)c2c1)N1CCCCC1
79624 Cc1cc(nc2ccc(F)cc12)N1CCCC1
79625 Cc1cccc2c(C)cc(nc12)N1CCCC1
79626 Cc1ccc2nc(cc(C)c2c1)N1CCCCCC1
79627 CCc1ccc2nc(cc(C)c2c1)N1CCCCCC1
79628 Cc1cc(nc2ccccc12)N1CCCCCC1
79629 Cc1cc(nc2ccc(F)cc12)N1CCCCCC1
79630 COc1cc(cc(OC)c1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccc3OCOc3c2)cc1
79631 COc1ccc2N(C)C(=O)C3(Nc4ccccc4-c4nc5ccccc5n34)c2c1
79632 CC(C)c1cccc(O)c(=O)c1
79633 CC1(C)N(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2NC1=O
79634 Oc1ccc(cc1)C(=O)\C=C\c1c(F)cccc1Cl
79635 CCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
79636 Cc1cccn2c1nc1n(Cc3ccco3)c(=N)c(cc1c2=O)C(=O)NCCc1ccccc1
79637 CC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
79638 Clc1cccc(NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)c1
79639 COc1c(O)cccc1-c1nnn(CCC(=O)OCC(=O)c2ccccc2)n1
79640 OC(Cn1c2ccccc2n(Cc2ccccc2)c1=N)c1ccco1
79641 CCN1C(=S)S\C(=C/N2CCc3ccccc23)C1=O
79642 CCOc1ccc2ccccc2c1CNCCN1CCOCC1
79643 Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
79644 CCn1c(=O)c(C(=O)CN2CCCc3ccccc23)c(N)n(Cc2ccccc2)c1=O
79645 CC(C)c1nnc(SCC(=O)c2cc(C)ccc2C)[nH]1
79646 [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
79647 O=C(CSc1nnc(CNC(=O)c2ccco2)o1)N1CCCCCC1
79648 OC1CS(=O)(=O)CC1NC(=O)Nc1ccccc1
79649 COc1ccc2nc(C)c3cc(C)oc3c2c1
79650 Cc1ccc(cc1)C(=O)Nc1ccc2n(C)cnc2c1
79651 O=C(CCSc1ccccc1)N1CCN(CC1)C(=O)c1ccco1
79652 Fc1ccccc1OCC(=O)NC1CC1
79653 Clc1ccccc1CN1C(Nc2cccnc2)c2ccccc2C1=O
79654 CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12
79655 O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(CC1)c1ccccc1
79656 OC(=O)c1ncc(cn1)-c1ccccc1
79657 CC(C)c1nnc(SCC(=O)Nc2sc(C)c(C)c2C#N)n1C
79658 [O-]N1C2=C(CCC2)[N+](=O)c2ccccc12 |t:2|
79659 Cc1cc2nc([nH]c2cc1C)C1CCCN(C1)C(=O)NCc1ccccc1
79660 FC(F)(F)c1[nH][nH]c(=O)c1C=NCc1ccccc1Cl |w:11.12|
79661 N#C\C(=C\c1ccc(o1)-c1ccccc1)c1nc(cs1)-c1cccs1
79662 COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C |THB:18:17:20:14.13|
79663 OC(=O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1
79664 COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C
79665 CCN(CC)c1ccc(C=c2sc3nc4ccccc4n3c2=O)c(O)c1
79666 CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
79667 CCN1C(=S)S\C(=C/C=C2/SCCN2C)C1=O
79668 CC(Oc1ccc(F)cc1)C(=O)Nc1sc2CCCCc2c1C(=O)NCc1cccnc1
79669 CN1c2ccccc2C(=O)C(C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O
79670 Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccc(C)cc1 |c:20,t:9|
79671 FC(F)(F)c1[nH][nH]c(=O)c1C=Nc1cccc(Cl)c1 |w:11.12|
79672 Cc1ccnc(c1)N=CC(C#N)c1nc(cs1)-c1cccc(Br)c1 |w:7.7|
79673 Cc1n[nH+]c(N=[NH+]C[c-]2ccc(=O)c(c2)[N+]([O-])=O)[n-]c1=O |w:6.6|
79674 Oc1c(C=NNC(=O)c2ccccc2)sc2ccccc12 |w:4.4|
79675 Clc1ccc(Cc2cnc(NC(=O)C(=C\c3c[nH]c4ccccc34)\C#N)s2)c(Cl)c1
79676 CCC(N1C(=S)S\C(=C/c2cccn2C)C1=O)C(O)=O
79677 COc1cc(cc(OC)c1OC)C(=O)Oc1ccccc1C=NNC(=O)c1ccc(Cl)cc1
79678 COc1ccc(\C=C\c2cc(=O)c3ccc(OC)cc3o2)cc1
79679 CC(=O)Nc1cc(ccc1Sc1ccc(F)cc1)C(=O)NCc1ccco1
79680 Cc1ccc(cc1)-n1c(O)c(C=CC=Nc2ccccc2)c(=O)[nH]c1=O |w:14.15,11.11|
79681 OC(CN1CCCCC1)Cn1cc(\C=C\C(=O)c2cccs2)c2ccccc12
79682 [O-][N+](=O)c1cccc(c1)C(=O)CSc1nc2ncc(Br)cc2[nH]1
79683 C(c1ccccc1)n1c(nc2nc3ccccc3nc12)-c1ccccc1
79684 CC(NN1CCCCC1c1cccnc1)=C1C(=O)NC(=S)N(C2CCCCC2)C1=O |w:1.0|
79685 CCOC(=O)C(\NC(C)=O)=C/c1c[nH]c2ccccc12
79686 Cc1ccc(cc1)S(=O)(=O)NCCCCCC(=O)Nc1ccccc1C
79687 CCCNC(=O)Cn1\c(=C\C(=O)C(C)(C)C)s\c(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c1=O
79688 [O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1
79689 CCc1ccc2c(COC(=O)CNS(=O)(=O)c3ccc(NC(C)=O)cc3)cc(=O)oc2c1
79690 CC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)[N+](\[O-])=C\c1ccccc1
79691 C=CCN1C(=S)NC(=O)\C(=C/c2ccc(o2)N2CCOCC2)C1=O
79692 COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C
79693 CCN(CC)C(=S)SCC(=O)c1c(C)[nH]c2ccccc12
79694 Cc1ccnc2nc(nn12)C(=O)OCC(=O)NCCc1ccccc1
79695 COc1cc(OC)c(cc1OC)C(=O)OC(C)C(=O)Nc1cccc(c1)C(F)(F)F
79696 FC(F)Oc1ccccc1C=NOCC(=O)NCc1cccs1
79697 COc1ccccc1N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
79698 OC1(CC(=NN1C(=O)c1ccc(COc2ccccc2Br)o1)C(F)F)C(F)F |c:3|
79699 COc1cc(N2CCCC2)c(OC)cc1\C=C1\NC(=S)NC1=O
79700 Cc1nnc(SCC(=O)NC(C)(C)C)n1C1CCCCC1
79701 CCOC(=O)N1CCN(CC1)C(=S)Nc1ccccc1C
79702 CC(C)CNC(=S)NC(=O)c1ccccc1Cl
79703 [#6]-[#6@@H](-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-n1cc(-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1
79704 COC(=O)C(=C/c1cc2cc(C)c(C)cc2[nH]c1=O)\C#N
79705 CC(C)CN1CCN(Cc2cccn2-c2ccc(Cl)cn2)CC1CCO
79706 [O-][N+](=O)c1ccc(N2CCCC2)c2ncccc12
79707 CCCN1CCc2c(C1)sc(NC(=S)NC(=O)c1ccccc1)c2C#N
79708 CN(C(C)=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
79709 CN1C(=S)N(C)\C(=C/c2ccc(N3CCCC3)c(C)c2)C1=O
79710 CC(C)(C)C(=O)\C=c1/s\c(=C/c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c(=O)n1CC(=O)NC(N)=O
79711 Oc1cccc(c1)N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
79712 CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)c(c1)C(O)=O
79713 COCCn1c(=O)c2ccccc2c2ccccc2c1=O
79714 CCNCc1cc(Br)ccc1OCC=C
79715 Fc1ccc(-c2n[nH]cc2CN(CC2CCC2)CC2CCCO2)c(F)c1
79716 Cc1cc(ccc1Cl)S(=O)(=O)N1CCCC(C1)C(=O)Nc1ccc(cc1)C(O)=O
79717 CC(C)Sc1nc2ccc(Br)cc2[nH]1
79718 CN1CCS\C1=C/C=C1\OC(=S)N(C)C1=O
79719 Clc1ccc(NC(=O)C2COc3ccccc3O2)nc1
79720 [#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]\[#7]-c2cc(ccc2-[#7])-[#6](=O)-c2ccccc2)-[#6](=O)-[#6]1
79721 CC1CC(C)(C)NC(=S)N1CC(=O)N1CCN(CC1)c1cc(C)ccc1C
79722 COc1ccc(C=NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1CN1CCc2cc(OC)c(OC)cc2C1C
79723 Clc1ccc(CNC(=O)C2CCN(CC2)c2cnccn2)cc1
79724 COC(=O)C1=C(C)NC(=O)\C1=C/N(C)C |c:4|
79725 O=C(CNCc1cccs1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
79726 CCOC(=O)C(=CC=C1Sc2cc(OCC)c(OCC)cc2N1CC)C(C)=O |w:7.6,5.26|
79727 CNc1ccccc1C(C)(C)c1cc(C)n[nH]1
79728 O=C(\C=C\c1nc2ccccc2s1)N1CCCCCC1
79729 Fc1ccccc1N1CCN(CC(=O)Nc2cccnc2Cl)CC1
79730 COc1ccccc1NC(=O)COC(=O)c1cnc(C)cn1
79731 [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccc(Cl)cc1)=[#6](\C#N)C#N |t:1,4|
79732 N=C1N(Cc2ccccc12)c1ccc(cc1)S(=O)(=O)N1CCCCC1
79733 CC(C)CSc1nnnn1-c1ccccc1C
79734 CN(CC(=O)Nc1ccc(C)cc1)c1ccc(cn1)S(=O)(=O)N1CCCC1
79735 CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
79736 COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccco2)c2nc3ccccc3nc12
79737 CC(=O)Oc1ccc(cc1)-n1c(O)c2C3CCCN3C(C(=O)c3ccc(Cl)cc3)c2c1O
79738 COc1ccc(C=NNC(=O)c2cccnc2)cc1CN1CCOCC1
79739 COc1ccc(cc1OC)C(=O)\C=C\c1cn(CC(O)CN2CCN(C)CC2)c2ccccc12
79740 CC(Cc1ccccc1)=CN=Nc1ccc2nncn2n1 |w:11.12,9.10|
79741 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1
79742 COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(CC2)c2nc(C)cc(C)c2C#N)c1OC
79743 COc1cc(CCCN2[C@@H](CC3CCCCC3)CNC2=S)cc(OC)c1OC
79744 COC(=O)C(=NNc1ccccc1C(=O)OC)C(C)N=O |w:5.5|
79745 Fc1ccc(CN2C(=O)NC(=O)C(=CNNc3ccccc3)C2=O)cc1 |w:13.13|
79746 CN(C)NC(=O)c1ccc(s1)[N+]([O-])=O
79747 OC(=O)CCC(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
79748 Cn1ncc2c(ON=C(N)c3ccc(cc3)C(F)(F)F)ncnc12 |w:7.6|
79749 Cn1nccc1NC(=O)Nc1cccc(Cl)c1Cl
79750 Cn1nc(NC(=O)C2CCC2C(O)=O)c2c(F)cccc12
79751 COC(=O)c1ccc(n1C)S(=O)(=O)N1CCC(O)CC1
79752 CC(=O)C(C=Nc1noc(C)c1Br)C(C)=O |w:5.5|
79753 Fc1ccc(CNC(=S)NCc2ccc(F)cc2)cc1
79754 FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)c1cnc2ccccc2n1
79755 CC1CN(CC(C)O1)c1ccc(NS(=O)(=O)c2ccccc2)cc1C(O)=O
79756 COc1ccc(C(=O)Nn2cnc3scc(-c4cccs4)c3c2=O)c(O)c1
79757 CS(O)(=O)=O.CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c23
79758 CC1Oc2ccccc2C(=O)N1c1ccc(OC=C)cc1
79759 COc1ccc2nc([nH]c2c1)-c1ccccn1
79760 CC\C(=C/c1sc2ccccc2[n+]1CCCS([O-])(=O)=O)\C=C1/Oc2ccc(OC)cc2N1C
79761 Clc1cccc(C(=O)Nc2ccc3OCCOc3c2)c1Cl
79762 CC(C(=O)c1ccc(Br)cc1)[n+]1cccc2ccccc12
79763 CC1(C)CC(=O)C=C(C1)Nc1ccccc1N |c:6|
79764 CCN(CC)c1ccc(C=C2SC(N)=NC2=O)cc1 |w:9.8,c:13|
79765 [O-][N+](=O)c1ccc(cc1)C1C(C(=O)c2cccs2)C(=O)C(=O)N1CCN1CCOCC1
79766 COc1ccc(OC)c(c1)-n1c(O)c(C=NCCN2CCNCC2)c(=O)[nH]c1=S |w:15.16,(14.58,-8.09,;14.58,-6.55,;13.24,-5.78,;11.91,-6.55,;10.58,-5.78,;10.58,-4.24,;9.24,-3.47,;7.91,-4.24,;11.91,-3.47,;13.24,-4.24,;11.91,-1.93,;10.58,-1.16,;9.24,-1.93,;10.58,.39,;9.24,1.16,;9.24,2.7,;7.91,3.47,;7.91,5.01,;6.57,5.78,;5.24,5.01,;3.91,5.78,;3.91,7.32,;5.24,8.09,;6.57,7.32,;11.91,1.16,;11.91,2.7,;13.24,.39,;13.24,-1.16,;14.58,-1.93,)|
79767 Clc1ccc(Oc2ccccc2)c(NC(=S)N2CCN(CC2)c2ccccn2)c1
79768 CCn1cc(C(=O)NCCC(=O)NCCO)c(=O)c2cc3OCOc3cc12
79769 Fc1ccc(CN2CCSc3sccc3C2=O)cc1
79770 COc1cc(ccc1F)-c1c(C)onc1-c1ccc2OCOc2c1
79771 O=C1NCCCCC1NS(=O)(=O)c1ccc(cc1)C#N
79772 Brc1csc(c1)C1Nc2ccccc2C(=O)N1CC=C
79773 OC(=O)c1ccccc1CSc1nnnn1-c1ccccc1
79774 Cc1ccc(cc1)-c1ccc(OC(=O)c2ccc(=O)[nH]c2)c(C)c1
79775 COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(O)=O)C2=O)cc1OC
79776 CCOc1cc(\C=C2/N=C(SC(C)C(N)=O)N(C2=O)c2ccc(OC(F)F)cc2)ccc1O |t:8|
79777 O=C(CSC1=Nc2ccccc2S(=O)(=O)N1)N1CCCCC1 |t:4|
79778 CCc1ccc(cc1)C(=O)NNC(=O)c1cccc(c1)-n1c(O)ccc1O
79779 CNS(=O)(=O)c1ccc(cc1)N=Cc1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:11.11|
79780