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328 SMILES Strings for Kallikrein 7

Compound NameSMILES String
BDBM29658 Cc1cccc(c1)C(=O)\N=c1/c(cc2c(nc3c(C)cccn3c2=O)n1Cc1ccco1)C#N
BDBM29681 OCCNc1c2ccccc2nc2c(F)c(F)c(F)c(F)c12
BDBM32709 Cc1ccc(cc1)C(=O)n1nc(nc1N)-c1cccnc1
BDBM33200 CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM33882 Nc1nc(nn1C(=O)c1ccc(Cl)cc1)-c1cccnc1
BDBM33437 COc1ccc(cc1OC)C(=O)n1nc(nc1N)-c1ccccc1
BDBM33453 COc1ccc(cc1)C(=O)n1cnnc1N
BDBM34576 CN1CCc2c(C1)c(NCC=C)nc(NCc1ccccc1)c2C#N
BDBM38923 O=C(OC1CCOC1=O)c1ccc(s1)-c1nc2ccccc2s1
BDBM38304 COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1cc(C)ccc1C
BDBM42369 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)NCCN2CCOCC2)c1=N
BDBM48642 Nc1ccc2nc([nH]c2c1)-c1cc(Cl)c(N)c(Cl)c1
BDBM48884 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,)|
BDBM47403 FC(F)(F)C(=O)Nc1cccc2c3ccccc3[nH]c12
BDBM46572 N=C1N2N=C(SC2=NC(=O)\C1=C\c1coc2ccccc2c1=O)c1ccncc1 |c:3,7|
BDBM51482 CCOC(=O)NC(=O)CSC1=NC(C)=C(C(C1C#N)c1cccnc1)C(=O)OCC=C |c:13,t:10|
BDBM50282 O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
BDBM50549 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(C)o1
BDBM49521 Cc1ccc(cc1)C(=O)Nc1ccc2nccnc2c1
BDBM53585 Cc1n(C)cc[n+]2cccc12
BDBM52678 CN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1
BDBM52680 CCN1CCN(Cc2c3O\C(=C/c4ccc(C)cc4)C(=O)c3ccc2O)CC1
BDBM51528 CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
BDBM52033 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c12
BDBM51549 Cc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cn2cccnc2n1
BDBM51592 CC1=NC2=C(C(C1C#N)c1cccnc1)C(=O)CC(C)(C)C2 |c:3,t:1|
BDBM51911 COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
BDBM54105 CCN(CC)CCCNc1oc(\C=C\c2ccccc2)nc1C#N
BDBM53937 O=C(Oc1c(oc2ccccc2c1=O)-c1ccco1)c1cccnc1
BDBM66193 COc1ccc(cc1)-c1cc(-c2ccccc2)c2c(N)ncnc2n1
BDBM65154 COc1ccc(cc1)-c1cc(=O)oc2cc(OC(=O)C3CCCCC3)c(Cl)cc12
BDBM67420 CC(=O)N1CCN(CC1)C1=Nc2cccc3cccc1c23 |t:10|
BDBM71270 O=c1[nH]c(cc2ccccc12)N1CCOCC1
BDBM70685 Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1
BDBM69464 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,)|
BDBM76152 COc1cccc2sc3cc(NCC[C@@H]4CCCN4C)ccc3c(=O)c12
BDBM75184 COCCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(CC1)c1ccc(OC)cc1)\C#N
BDBM74788 Cc1ccc2nc(NCC(O)=O)nc(-c3ccccc3)c2c1
BDBM75191 COC(=O)Cc1c(C)c2ccc(O)c(CNCc3ccc(OC)c(OC)c3)c2oc1=O
BDBM75148 Fc1ccc2[nH]c(=O)nc(-c3ccccc3Cl)c2c1
BDBM77974 Cc1cc(Nc2cccc(F)c2)nc(n1)-c1ccccc1O
BDBM81244 COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c2c1
BDBM81149 CN(C)C=Nc1ccc2nc3c(cc2c1)[nH]c1ccccc31 |w:4.4|
BDBM79704 COC(=O)C(=C/c1cc2cc(C)c(C)cc2[nH]c1=O)\C#N
BDBM83150 CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NN1CCOCC1
BDBM82911 CC(C)OCCOc1ccc2oc(cc(=O)c2c1)-c1ccco1
BDBM83808 Brc1cc(coc1=O)C(=O)NCCc1ccccc1
BDBM89207 COC(=O)C1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1
BDBM87723 CN1C[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)C(N)C(C#N)=C2C=C1 |c:21,24|
BDBM90971 CCN1CCSc2ccc(cc12)C(=O)NCc1ccccc1F
BDBM90096 CCCCOC(=O)Oc1ccc2c(c1)occ(Oc1cccc(C)c1)c2=O
BDBM100033 NC(=O)c1ccccc1\N=C\c1ccccc1
BDBM100034 Cc1ccc(\C=N\c2ccccc2C(N)=O)cc1
BDBM100159 Cc1c([nH]c2cnccc12)C1(O)CCCCC1
BDBM100160 Cc1cc(=O)oc2cc(OCC(=O)N3CCOCC3)c(Cl)cc12
BDBM100161 COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(N)=O
BDBM100162 CC[C@H]1[C@@H](N(N=C1c1ccc(F)cc1)c1ccccc1)C(=O)N1CCOC1=O |c:5|
BDBM100163 CCc1ccccc1NC(=O)CSc1nc2nnc(C)c2c(N)n1-c1ccc(OC)cc1
BDBM100164 Cc1cccn2c1nc1n(Cc3ccco3)\c(=N\C(=O)c3ccccc3)c(cc1c2=O)C#N
BDBM100165 O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@]2(CCc3ccccc3)N(CCc3c2[nH]c2cc(ccc32)-c2ccco2)C1=O)NCCN1CCOCC1
BDBM100166 Oc1ccc2c(CC(=O)NN=Cc3ccc(cc3)N(CCCl)CCCl)cc(=O)oc2c1
BDBM100167 CC(=O)Nc1cc2-c3ccccc3-c3cccc(c1)c23
BDBM100168 COc1cc2CCN3C4CCC(=O)N4CCC3c2cc1OC
BDBM100169 CCOC(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2
BDBM100170 [H]C12CC(C3NC(=O)c4ccccc4N3)C([H])(C1)C=C2 |c:21,THB:4:3:17:18.19|
BDBM100171 C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)S(=O)(=O)c1ccccc1
BDBM100172 C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)NC1CCCCC1
BDBM100173 CCC(CC)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1(O)CC
BDBM100175 CC(C)Nc1nc(-c2ccccc2CO)c2sccc2n1
BDBM100174 CN(C)c1ccc(cc1)-c1cccc2nccn12
BDBM100176 OC1N2CCCC2=Nc2c(Cl)cc(Cl)cc12 |c:7|
BDBM100177 Clc1ccc(cc1)-c1cnc2cccnn12
BDBM100178 CS(=O)(=O)Nc1ccc(cc1)-c1cnc2cccnn12
BDBM100179 CCCc1cc(NCCOCCO)n2c3ccccc3nc2c1C#N
BDBM100180 CNc1cncc(n1)-c1ccc(OC)cc1
BDBM100181 CC(=C)Cn1n(C)c(=O)c2cc(NC(=O)NCc3ccccc3)ccc12
BDBM100182 CC(=C)Cn1n(C)c(=O)c2cc(NC(=O)NCCc3cccs3)ccc12
BDBM100183 COc1cccc(CN2CC(CCC2=O)C(=O)NCCc2cn3cccnc3n2)c1
BDBM100184 Cc1ccccc1NC(=O)COC(=O)COc1ccc2ccc(=O)oc2c1
BDBM100185 CNc1ccc(cn1)-c1cccc(CO)c1
BDBM100186 CN(C)c1cccc2c(cccc12)S(=O)(=O)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
BDBM100187 C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)c1cc(Cl)cc(Cl)c1
BDBM100188 COC(=O)c1ccc(cc1)N1C(CC(=O)C2CC2)c2cc(ccc2C=C1c1cc(OC)cc(OC)c1)-c1cccnc1 |c:27|
BDBM100189 COC(=O)c1ccc(cc1)N1C(CC(=O)C2CC2)c2cc(ccc2C=C1c1cc(OC)cc(OC)c1)-c1ccc(cc1)C(N)=O |c:27|
BDBM100190 Nc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCOCC1
BDBM100191 CC(c1nc2ccccc2[nH]1)n1c2ccccc2nc(-c2cccs2)c1=O
BDBM100193 COc1ccc(cc1)-c1ccc2N(Cc3ccccc3C(F)(F)F)CCCc2n1
BDBM100194 COc1ccc2ccccc2c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(C)c(C)c1 |w:13.15|
BDBM100195 O=C(Nc1c(nc2ncccn12)-c1ccccc1)c1ccccc1
BDBM100192 Nc1nc2ncccn2c1-c1ccc(F)c(F)c1
BDBM100035 COc1ccc(OC(=O)c2cccc(c2)[N+]([O-])=O)c(c1)C(=O)\C=C\c1cccs1
BDBM100036 CCN1CCN(CC1)C(=O)COc1ccc2OC3(CCN(CC3)C(C)=O)CC(=O)c2c1
BDBM100037 CCOC(=O)COc1ccc2OC3(CCCCC3)CC(=O)c2c1
BDBM100053 Cc1cc(C)n2cc(CSCc3ccccc3)nc2n1
BDBM100054 OC(=O)c1ccc(\C=N\NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
BDBM100055 Cc1cccc(C)c1NC(=O)C(N1CC(=O)Nc2ccccc12)c1ccccc1
BDBM100056 CCNc1nc(C)c(CN(C(C)=O)c2ccccc2)nc1C#N
BDBM100057 Fc1ccccc1N1C(Nc2ccccc2C1=O)c1cccnc1
BDBM100058 Fc1ccc(cc1)-c1nc2cnccn2c1NC1CCCC1
BDBM100090 Cc1cccc2c(C(O)=O)c3cccc(C)c3nc12
BDBM100154 OCCN1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1cccs1
BDBM100155 CSc1ccc(\C=C\C(=O)OCC(=O)NC2CCS(=O)(=O)C2)cc1
BDBM100156 COc1ccc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)CC(C)C2)cc1S(N)(=O)=O
BDBM100157 COc1ccc(OC)c(\C=C\C(=O)N(C)CC(=O)Nc2ccc(cc2)N2CCOCC2)c1
BDBM100158 COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)cc1
BDBM100091 CSc1ccc(cc1)C1NC(=O)c2ccccc2N1
BDBM100098 CCC1CCCCN1Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O
BDBM100099 COc1cc(\C=N\NC(=O)c2c(C)nc3ccc(Cl)cn23)cc(OC)c1OC
BDBM100059 N#Cc1ccc2c(c1)nc1ccccn21
BDBM100060 CCOC(=O)N1CCN(CC1)C(=O)COc1ccc2OC(C)(C)CC(=O)c2c1
BDBM100024 CC(=O)Nc1ccc2nc([nH]c2c1)-c1cccs1
BDBM100061 [H]C12CC(C)(NC(=O)\C1=C(/O)\C=C\c1ccc(OC)c(OC)c1OC)Oc1ccccc21 |THB:9:8:2:25.31.26,30:31:2:5.8.6|
BDBM100062 Cc1ccc2nc3nc(NCC4CCCO4)c(cc3c(=O)n2c1)C(=O)NCC1CCCO1
BDBM100063 CN1CCN(CC1)C(=O)c1cc2nc(cc(n2n1)C(F)(F)F)-c1ccco1
BDBM100064 CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CC2CCCO2)\c1=N\C(=O)\C=C\c1ccccc1
BDBM100097 CN1C(N(C)c2ccccc2C1=O)c1ccc(F)cc1
BDBM100100 CNc1cc(C)c(C#N)c2nc3ccccc3n12
BDBM100101 Brc1ccc(cc1)C1NC(=O)c2ccccc2N1
BDBM100065 CC1Nc2ccccc2C(=O)N1NS(C)(=O)=O
BDBM100066 COc1ccc(cc1OC)C1Nc2ccccc2C(=O)N1NS(C)(=O)=O
BDBM100067 CC(C)OCCCNC(=S)Nc1ccc2nc(cc(C)c2c1)N1CCCC1
BDBM100102 Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCCCC(O)=O)c(C)c21
BDBM100103 COc1ccc(cc1)-c1coc2c(CN3CCCCC3C)c(O)ccc2c1=O
BDBM100104 Cc1oc2c(CN3CCCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1
BDBM100105 Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCCCCC(O)=O)c(C)c3cc2c1C
BDBM100106 CCNC(=O)C(=C\c1c(nc2ccccn2c1=O)N1CCN(CC1)c1ccccc1)\C#N
BDBM100107 COCCNC(=O)Cc1c(C)c2cc3CCC(C)(C)Oc3cc2oc1=O
BDBM100108 CC(=O)Nc1ccc(cc1)-c1nc2ccc(NC(C)=O)cc2o1
BDBM100109 CC(C)C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)c(C)c(C)c12)C(O)=O
BDBM100110 CCC(NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(O)=O
BDBM100111 Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(O)=O)c(C)c21
BDBM100112 CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3ccc(C)c(C)c3)ccc2n1
BDBM100113 CCc1cc2c(CN3CCN(Cc4ccccc4)CC3)cc(=O)oc2cc1O
BDBM100114 CCC(C)NC(=O)c1cc2c(nc3c(C)cccn3c2=O)s1
BDBM100115 COc1ccc(C2Nc3ccccc3C(=O)N2NC(C)=O)c(OC)c1
BDBM100068 Cc1sc(nc1OC(=O)c1ccc(F)cc1F)-c1ccncc1
BDBM100069 CCOC(=O)COc1cc(C)nc2nc(cn12)-c1ccccc1
BDBM100070 CCN(CC)c1ccc2c(C)c(CO)c(=O)oc2c1
BDBM100117 COc1cccc(CNC(=O)c2ccc3SCCN(C)c3c2)c1OC
BDBM100118 COC(=O)C(C)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
BDBM100119 CCC(=O)N1CCc2cc(ccc12)-c1csc(NC(=O)c2ccco2)n1
BDBM100120 COC(=O)c1cc(nc2nc(SC)[nH]c(=O)c12)-c1ccc(OC)cc1
BDBM100121 COc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1OC
BDBM100122 CC1CC(C)CN(C1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
BDBM100123 N=c1c(cc2c(nc3ccccn3c2=O)n1CC1CCCO1)C(=O)NC1CCCC1
BDBM100124 COc1ccc(cc1)-c1cc(C(=O)NC2CC2)c2ccccc2n1
BDBM100125 COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C(=O)c1cccnc1
BDBM100126 CN1C(=CC(=NS1(=O)=O)c1cccs1)C(=O)Nc1ccc(C)cc1 |c:2,4|
BDBM100127 Cc1cccn2c1nc1n(C)c(cc1c2=O)C(=O)N1CCOCC1
BDBM100128 N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCC1CCCO1
BDBM100129 COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cccs1
BDBM100130 Cc1ccc(o1)C(=O)Nc1ccc(NC(=O)c2ccc(C)o2)cc1
BDBM100131 COc1ccc2oc(=O)c(cc2c1)C(=O)N1CCN(CC1)C(=O)c1ccccc1
BDBM100132 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN1CCOCC1)-c1ccco1
BDBM100133 FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCCCN1CCCC1=O)-c1ccco1
BDBM100134 Oc1ccc(cc1)-c1cc(no1)C(=O)Nc1ccc2OCOc2c1
BDBM100135 O=C(NC1CCCCCC1)c1cc2c(nc3ccccn3c2=O)s1
BDBM100136 CN1CCSc2ccc(cc12)C(=O)NCc1cccc(F)c1
BDBM100137 COCCCn1c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCCN1CCOCC1
BDBM100138 CC(=O)c1cc2OCOc2cc1NS(=O)(=O)c1ccccc1Br
BDBM100139 O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1cccs1
BDBM100140 CN1CCSc2ccc(cc12)C(=O)NCc1ccccc1F
BDBM100141 Oc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1 |w:6.6|
BDBM100142 CN(C1CCCCC1)C(=O)c1cc2c(nc3ccccn3c2=O)s1
BDBM100143 COc1ccccc1CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1
BDBM100144 Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NCc3ccncc3)c12
BDBM100145 CCC(NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM100146 CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)N3CCC(CC3)C(O)=O)c12
BDBM100147 COc1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1OC
BDBM100148 COc1ccc(cc1)-c1ccc2nnc(SCC(=O)N3CCCC3)n2n1
BDBM100149 COc1ccc(cc1)-c1ccc2nnc(SCC(=O)NCC3CCCO3)n2n1
BDBM100150 Nc1nccnc1C(=O)OCC(=O)Nc1sc2CCCCc2c1C#N
BDBM100151 Nc1nccnc1C(=O)OCc1nc2sc3CCCCc3c2c(=O)[nH]1
BDBM100071 Cc1cc2nc([nH]c2cc1C)-c1ccc(SCc2ccccn2)nc1
BDBM100072 Fc1ccc(cc1)C(=O)Nc1ncc2COc3ccccc3-c2n1
BDBM100073 Fc1c(F)c(F)c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(F)c1F
BDBM100074 O=C(Nc1ccc2C(=O)NC(=O)c2c1)c1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM100075 COc1cccc2cccc(\C=N\n3cnnc3)c12
BDBM100076 COCCN1Cc2cc(=O)n3c4ccccc4nc3c2=C1N |c:22|
BDBM100038 Cc1cccc(\C=N\c2ccccc2C(N)=O)c1
BDBM100039 Cc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
BDBM100040 CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C
BDBM100077 Nc1ccc(Cl)cc1C(=O)OCC(=O)NC1CCS(=O)(=O)C1
BDBM100078 Nc1nc2OC(CCl)Cc2c2c(C#N)c(nc(N)c12)N1CCOCC1
BDBM100079 COc1ccc(OC)c(\C=C\C(=O)NCCc2nc3ccccc3[nH]2)c1
BDBM100041 Cc1ccc(cc1)C(=O)c1sc(NCC=C)c(C#N)c1N
BDBM100042 CCN(CC)Cc1c(O)ccc2c1occ(Oc1ccccc1OC)c2=O
BDBM100043 CCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(Cc2cccnc2)c1=N
BDBM100080 COc1ccc2OC(O)(CC(=O)c2c1)C(F)F
BDBM100081 OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccc(F)cc1
BDBM100082 OC(=O)CCC(=O)NN1C(Nc2ccccc2C1=O)c1ccco1
BDBM100044 Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1
BDBM100083 CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C(=O)OCC)\c1=N/C(=O)c1ccco1
BDBM100084 CCN(CC)S(=O)(=O)c1cccc(c1)-c1cn2cccnc2n1
BDBM100085 COc1c(N2CCN(C(C)C2)C(=S)Nc2ccccc2F)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1
BDBM100086 Cc1ccccc1-n1c2ccccc2cc2c1nc(=O)n(C)c2=O |(9.85,1.57,;8.52,2.34,;8.52,3.88,;7.19,4.65,;5.85,3.88,;5.85,2.34,;7.19,1.57,;7.19,.03,;5.85,-.74,;4.48,.08,;3.08,-.71,;3.08,-2.32,;4.48,-3.11,;5.85,-2.28,;7.19,-3.05,;8.52,-2.28,;8.52,-.74,;9.9,.08,;11.29,-.71,;12.62,.06,;11.29,-2.32,;12.62,-3.09,;9.9,-3.11,;9.88,-4.65,)|
BDBM100087 COC(=O)CC1=C(C([C-](C#N)C(=[NH2+])O1)c1ccccc1[N+]([O-])=O)C(=O)OC |t:5|
BDBM100088 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1-n1ccc(cc1)=NC(=O)c1ccccc1 |(9.75,-10.01,;9.75,-8.47,;8.41,-7.7,;11.08,-7.7,;11.08,-6.16,;9.75,-5.39,;9.75,-3.85,;11.08,-3.08,;12.42,-3.85,;12.42,-5.39,;11.08,-1.54,;9.54,-1.54,;12.62,-1.54,;11.08,,;12.42,.77,;13.75,,;15.08,.77,;16.46,-.05,;17.86,.74,;17.86,2.34,;16.46,3.13,;15.08,2.31,;13.75,3.08,;12.42,2.31,;11.08,3.08,;9.75,2.31,;8.41,3.08,;8.41,4.62,;9.75,5.39,;11.08,4.62,;7.08,5.39,;7.08,6.93,;8.41,7.7,;5.75,7.7,;5.75,9.24,;4.41,10.01,;3.08,9.24,;3.08,7.7,;4.41,6.93,)|
BDBM100089 Oc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1
BDBM100045 COc1cc2SC(C)CC(=O)c2cc1OC
BDBM100046 CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
BDBM100047 COc1ccc(OC)c(\C=N\NC(=O)CN2CCSCC2)c1
BDBM100092 CCCc1cc(NCCN(C)C)n2c(nc3ccccc23)c1C#N
BDBM100093 CC1(C)CC(=O)C2=C(C1)c1c(NC2c2ccc(OCC(O)=O)cc2)ccc2ccccc12 |c:6|
BDBM100094 CCCC(=O)Nc1ccc2nn(nc2c1)-c1ccc(OC)cc1
BDBM100095 CN(C)CCNS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
BDBM100096 COc1ccc(OC)c(\C=N/NC(=O)c2c(C)nc3cc(C)ccn23)c1
BDBM100116 OC(=O)CCN1c2cccc3cccc(c23)S1(=O)=O
BDBM100048 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C(\C#N)C(=O)Nc2ccccc2)o1
BDBM100049 CCCOC(=O)Oc1ccc2c(c1)occ(Oc1cc(C)cc(C)c1)c2=O
BDBM100050 COC(=O)c1[nH]n(-c2ccccc2)c2c(O)n(-c3ccccc3OC)c(=O)c12 |(13.99,-5.06,;13.51,-3.59,;12.01,-3.28,;10.98,-4.42,;11.53,-1.81,;12.43,-.57,;11.53,.67,;12.01,2.13,;13.51,2.45,;13.99,3.91,;12.96,5.06,;11.46,4.74,;10.98,3.28,;10.07,.2,;8.61,.67,;8.13,2.14,;7.7,-.57,;6.16,-.57,;5.39,-1.91,;3.85,-1.91,;3.08,-.57,;3.85,.76,;5.39,.76,;6.16,2.09,;5.39,3.43,;8.61,-1.82,;8.13,-3.28,;10.07,-1.34,)|
BDBM100051 NS(=O)(=O)c1ccc2n(CC=C)\c(=N/C(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
BDBM100052 COc1ccc(\C=C(\CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1
BDBM100152 COc1ccc2c(c1)[nH]c1c(C)nccc21
BDBM100153 COc1ccc(OC)c(\C=C\C(=O)OCC(=O)NCc2ccco2)c1
BDBM99996 Cc1cc(NCCCCO)n2c(nc3ccccc23)c1C#N
BDBM99997 CN1C(N(C)c2ccccc2C1=O)c1ccc2OCOc2c1
BDBM99998 COc1ccc(C2C3C(=O)CC(C)(C)CC3=NC(C)=C2C(=O)N2CCOCC2)c(OC)c1 |c:16,19|
BDBM99999 COc1ccc(cc1)-c1cc(-c2ccccc2)n2ncnc2n1
BDBM100000 CN1CCN(Cc2c(O)c(Cl)cc3c(cc(=O)oc23)-c2ccccc2)CC1
BDBM100001 COc1ccccc1C1CC(=Nc2nnnn12)c1ccc(C)cc1 |c:11|
BDBM100002 Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1
BDBM100003 CCN1C(c2ccccn2)n2c(nc3ccccc23)-c2ccccc12
BDBM100004 Oc1ccc2c(occ(-c3ccc(Br)cc3)c2=O)c1CN1CCOCC1
BDBM100005 CCOC(=O)C1CCN(CC1)c1ncnc2c1[nH]c1cccc(OC)c21
BDBM100006 COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12
BDBM100007 Cc1cc(C)c2c(nn3c(NCCN4CCOCC4)cc(C)nc23)n1
BDBM100008 COC(=O)CNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N
BDBM100009 Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)C(F)(F)F
BDBM100010 COc1cc2ccccc2cc1C(=O)OCC(=O)N1CCOCC1
BDBM100011 Cc1nn(-c2ccccn2)c2nc(cc(C(=O)N3CCOCC3)c12)-c1cccs1
BDBM100012 CCOC(=O)N1CCC2(CC1)CC(=O)c1c(O2)ccc2oc(C(O)=O)c(C)c12
BDBM100013 O=c1n(CCCN2CCCCC2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
BDBM100014 COC(=O)c1ccc(cc1)C1C(C#N)C(C)=NC2=C1C(=O)CC(C)(C)C2 |c:16,18|
BDBM100015 CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1
BDBM100016 OC(=O)CCc1nn2c3ccccc3nc2n(CCN2CCCCC2)c1=O
BDBM100017 CCOC(=O)c1cnc2c(cccc2c1NCc1ccco1)C(=O)OC
BDBM100018 CCOC(=O)C1CCN(CC1)S(=O)(=O)c1cccc(c1)-c1cn2cccnc2n1
BDBM100019 CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccnc2)c1C#N
BDBM100020 CCOC(=O)c1cnn2c(cc(nc12)-c1cn(C)nc1C)C(F)(F)F
BDBM100021 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc3ccsc3c(=O)n2c1
BDBM100022 Cc1cccn2c1nc1sc(cc1c2=O)C(=O)NC1CCS(=O)(=O)C1
BDBM100023 COc1ccccc1C1CC(=Nc2nnnn12)c1ccccc1 |c:11|
BDBM100025 O=C1N(Cc2ccco2)C(Nc2ccccc12)c1ccccc1
BDBM100026 COC(=O)C1=CN(CC2CCCO2)C=C(C1c1ccsc1)C(=O)OC |c:14,t:4|
BDBM100027 CC(=O)Nc1ccc(cc1)C1Nc2ccccc2C(=O)N1C1CCCCC1
BDBM100028 Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN1CCOCC1
BDBM100029 O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1cn2ccccc2n1
BDBM100030 COC(=O)C1C=NC=C(C1c1ccc(cc1)C(=O)OC)C(=O)OC |c:5,7|
BDBM100031 Cc1nc2ccc(NC(=O)N3CCCCC3)cc2nc1C
BDBM100032 Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3cccc(C)c3)c(N)c12
BDBM50016479 CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13 |c:6|
BDBM50241529 COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O
BDBM50292533 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
BDBM50289001 COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I
BDBM50355086 COc1cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c(O)c1-c1c(OC)cc2c(OC)c3cc(C)oc(=O)c3c(O)c2c1O |(17.28,-41.71,;17.28,-40.17,;15.95,-39.4,;14.61,-40.16,;13.28,-39.39,;11.96,-40.17,;11.96,-41.71,;10.63,-42.48,;10.62,-39.4,;9.29,-40.18,;7.95,-39.4,;6.61,-40.17,;7.95,-37.85,;9.29,-37.09,;9.3,-35.55,;10.62,-37.86,;11.95,-37.08,;11.95,-35.54,;13.29,-37.85,;14.62,-37.09,;14.61,-35.55,;15.95,-37.85,;17.28,-37.08,;17.28,-35.53,;15.94,-34.76,;15.94,-33.22,;18.61,-34.76,;19.94,-35.53,;21.27,-34.76,;21.26,-33.22,;22.59,-32.44,;22.6,-35.52,;23.94,-34.75,;25.28,-35.53,;26.61,-34.76,;25.27,-37.07,;23.93,-37.84,;23.93,-39.38,;22.6,-37.07,;21.27,-37.84,;21.27,-39.38,;19.94,-37.07,;18.61,-37.84,;18.61,-39.38,)|
BDBM50355087 COc1cc(O)c2c(O)c3c(cc(C)oc3=O)c(OC)c2c1
BDBM50355088 COc1cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c(O)c1-c1c(OC)cc2cc3C[C@@H](C)OC(=O)c3c(O)c2c1O |r,wU:8.8,29.32,(38.37,-41.46,;38.37,-39.92,;37.04,-39.15,;35.7,-39.92,;34.37,-39.14,;33.04,-39.92,;31.71,-39.15,;30.37,-39.93,;29.04,-39.15,;27.7,-39.92,;29.04,-37.6,;30.38,-36.84,;30.38,-35.3,;31.71,-37.61,;33.04,-36.83,;33.04,-35.29,;34.37,-37.6,;35.7,-36.84,;35.7,-35.3,;37.03,-37.6,;38.36,-36.83,;38.36,-35.28,;37.03,-34.51,;37.03,-32.97,;39.7,-34.51,;41.03,-35.28,;42.35,-34.51,;43.69,-35.27,;45.02,-34.5,;46.36,-35.28,;47.7,-34.51,;46.36,-36.82,;45.02,-37.59,;45.01,-39.13,;43.69,-36.82,;42.36,-37.6,;42.36,-39.14,;41.02,-36.82,;39.7,-37.59,;39.7,-39.13,)|
BDBM50391075 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
BDBM50391076 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccc2OCOc2c1 |r|
BDBM50391077 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccnc1 |r|
BDBM50391078 O=C(N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1ccco1 |r|
BDBM50391079 CC(=O)N\C(=C/c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50438170 Nc1nc(nn1C(=O)c1ccc(Cl)cc1Cl)-c1cccnc1
BDBM50446211 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446212 O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446213 O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446214 CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446215 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446216 CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446217 CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446218 CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446219 CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446220 O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446221 O=C(O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
BDBM50446222 CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446223 CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446224 CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446225 CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446226 CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446227 O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1)C(\NC(=O)c1ccccc1)=C\c1cccs1 |r|
BDBM50446228 [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@H]-1-[#6]-[#8]-[#6@@H]-2-[#6@@H](-[#6]-[#8]-[#6@H]-1-2)-[#8]-[#6]-c1ccccc1 |r|
BDBM50446229 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCc1ccccc1 |r|
BDBM50446230 Cc1ccc(cc1)S(=O)(=O)n1cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CO[C@@H]3[C@@H](CO[C@H]23)OCc2ccccc2)c1 |r|
BDBM50444597 COc1ccc(\C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC
BDBM50444598 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCOCC1
BDBM50444599 CCOc1cccc(NC(=O)C(=C/c2ccc(OCC(O)=O)c(OC)c2)\C#N)c1
BDBM50444600 CNC(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
BDBM50444601 Nc1ccc2nc(SCc3nc4ccccc4c(=O)n3-c3cccc(c3)C(F)(F)F)[nH]c2c1
BDBM50444602 COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
BDBM50444603 CCOc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
BDBM50444604 COc1cc(\C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1O
BDBM50073224 Nc1nc2ccccn2c1C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 |r|
BDBM50073229 COc1ccc(OC)c(c1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:11|
BDBM50073233 Cc1ccc(c(C)c1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:9|
BDBM50073221 COc1ccc(cc1OC)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:11|
BDBM50073222 Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|
BDBM50073226 Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1c(N)nc2ccccn12 |r|
BDBM50073227 Oc1cccc(c1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|
BDBM50073228 COc1cc(cc(OC)c1OC)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:13|
BDBM50073230 Cc1ccc(cc1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:8|
BDBM50073231 COc1ccc(cc1)C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 |r,t:9|
BDBM50073232 Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@@H](Cc2ccccc2)N1 |r,t:8|
BDBM50124906 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
BDBM50125021 [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSSC[C@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(N)=O)NC2=O)[C@@H](C)O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N1 |r|
BDBM113060 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1SC
BDBM113065 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl
BDBM113067 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccc(OC)cc1OC
BDBM113068 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O
BDBM113069 CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC
BDBM113119 COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113248 Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113283 COc1ccc(c(OC)c1)-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113292 CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113293 CS(=O)(=O)c1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1
BDBM113294 CC(C)c1ccc(-c2nc3cc4OCCCOc4cc3c(=O)o2)c(c1)C(C)C
BDBM113295 COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC
BDBM113296 COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
BDBM113297 CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
BDBM113299 COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8|
BDBM113300 Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1
BDBM113301 COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1
BDBM50167828 COC1=C(C(=O)c2c(O)c3C(=O)O[C@@H](C)Cc3c(O)c2C1=O)c1c(O)c2C(=O)C3=C(C[C@H](C)OC3=O)C(=O)c2cc1OC |r,t:2,31|
BDBM50205620 [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
BDBM50205621 [H][C@]12OC[C@H](N(C(=O)c3ccccc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
BDBM50205623 [H][C@]12OC[C@H](N(C(=O)Cc3ccc(F)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
BDBM50205624 [H][C@]12OC[C@H](N(C(=O)Cc3ccc(OC)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@H]2OCc1ccccc1 |r|
BDBM50205625 [H][C@]12OC[C@H](N(C(=O)Cc3ccc(O)cc3)C(C)(C)C(=O)NC3CCCCC3)[C@@]1([H])OC[C@@H]2N(C(=O)Cc1ccc(O)cc1)C(C)(C)C(=O)NC1CCCCC1 |r|