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1065 SMILES Strings for Bcl-2-like protein 11

Compound NameSMILES String
BDBM165 CNC(C)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC1CCCc2ccccc12
BDBM25817 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
BDBM25762 CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
BDBM29630 CCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2c1c(=O)nc1nc(C)[nH]n21 |t:10|
BDBM28814 Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1
BDBM31771 Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
BDBM31013 CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM31064 CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
BDBM31072 O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12 |t:3|
BDBM31081 [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|
BDBM30860 Clc1ccccc1-c1nc2cc(NC(=O)c3cncc(Br)c3)ccc2o1
BDBM32907 CCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1
BDBM33097 CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
BDBM34300 C(c1nn2c(Cn3nnc4ccccc34)nnc2s1)c1ccccc1
BDBM33876 CCOC(=O)CSC1=N\C(=C\c2ccc(cc2)-n2cncn2)C(=O)N1C(C)=O |t:7|
BDBM34183 CCOC(=O)CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
BDBM33791 CC(C)C(=O)n1nc(nc1NCc1ccc(F)cc1)-c1cccnc1
BDBM33489 Cc1cc(nc(n1)-c1ccccc1)N1CCN(CC1)c1ccccc1
BDBM32272 CCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
BDBM34707 Oc1cc(=C)c(NOS(=O)(=O)c2ccccc2)cc1=C
BDBM34717 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24|
BDBM34826 CCOC(=O)N1CCN(Cc2c(O)c3ccccc3c3oc(C)c(C(=O)OCC)c23)CC1
BDBM34724 CCOC(=O)c1c2ccc(OCC(=O)NN=Cc3ccc(C)cc3)cc2n2ccccc12 |w:15.14|
BDBM39102 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)NC(C)C)C(F)(F)F
BDBM38871 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12
BDBM39026 COc1cc(CN2CCN(CC2)c2cc(C)ccc2C)ccc1O
BDBM38802 CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
BDBM38845 CCOc1cc(ccc1NC(=O)CC)C(=O)CSc1nnc(CNc2ccc(Cl)cc2)o1
BDBM38920 Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1
BDBM40530 CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc21
BDBM37551 COc1ccc(CCNC(=O)C2=COCCO2)cc1 |t:11|
BDBM38263 COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1
BDBM37114 O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12 |t:3|
BDBM37054 Clc1ccc2oc(SC3=CS(=O)(=O)c4ccccc34)nc2c1 |t:8|
BDBM37302 COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
BDBM41056 Clc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
BDBM41591 COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccc(C)cc2)cn1 |w:11.11|
BDBM41088 COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O
BDBM41071 Brc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5|
BDBM40374 CC(=O)n1nc2nc(C)cc(C)c2c1N
BDBM40313 O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1
BDBM39730 Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)c1
BDBM39674 Cc1ccc(SCCNC(=S)Nc2cc(C)ccc2C)cc1
BDBM39716 CC(C)N=c1scc(-c2ccco2)n1N=Cc1ccc(O)c(O)c1 |w:14.15,3.2|
BDBM39692 CCc1ccc(CN=CCC(=O)c2ccc(Br)cc2)cc1 |w:7.6|
BDBM39763 COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|
BDBM43476 [#6]-c1ccc(\[#6]=[#6]-2\[#6](Cl)=[#6](Cl)-[#6](Cl)=[#6]-2Cl)cc1 |c:12,t:8|
BDBM43375 CCOC(=O)C1=C(O\C(S1)=C(\C#N)C(F)(F)F)c1ccccc1 |t:5|
BDBM43482 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|
BDBM43483 C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1C=CC2=O |c:16|
BDBM43462 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,)|
BDBM43424 Clc1cnn(CC(=O)NCC2CCCCC2)c(=O)c1Cl
BDBM43507 COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
BDBM43209 COc1cccc(c1)-n1nnnc1S(C)(=O)=O
BDBM43075 COc1cc(SC#N)ccc1N=Cc1c(C)[nH]n(-c2ccc(C)cc2)c1=O |w:11.11|
BDBM42463 [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]
BDBM41800 CC1Cc2ccccc2N1C(=O)c1ccc2n(C)nnc2c1
BDBM42061 CCc1ccccc1NC(=O)CN(C)C(=O)Cn1ncc(Cl)c(Cl)c1=O
BDBM42241 Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1
BDBM44654 COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1
BDBM44797 N#CCn1nnc(n1)-c1ccc2OCOc2c1
BDBM44850 Cc1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccccc1
BDBM45172 [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|
BDBM46123 CCOC(=O)CCCCCNC(=O)c1ccc(F)cc1F
BDBM45643 COc1ccc(OC)c(CNc2ccc(cc2C)[N+]([O-])=O)c1
BDBM44424 COc1cc(cc(OC)c1OC)C(=O)Nc1cc(n[nH]1)-c1ccccc1
BDBM47911 COc1ccc(cc1)C1N(NC(C1=O)c1c[nH]c2ccccc12)C(=O)CCl
BDBM48011 [O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
BDBM47455 ClCC(=O)N=c1sccn1Cc1ccccc1Cl |w:4.3|
BDBM47902 O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
BDBM48754 [O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
BDBM47574 O=C1N(CCc2c[nH]c3ccccc23)\C(S\C1=C/c1ccc(o1)N1CCOCC1)=N\c1ccccc1
BDBM47456 Oc1ccc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1O |w:6.6|
BDBM47770 [#6]C1([#6])[#8]-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccc(cc2)S([#7])(=O)=O)-[#6](=O)-[#8]1
BDBM47907 COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|
BDBM46978 CC(=C)c1cc(NOS(=O)(=O)c2ccccc2)c(C)cc1O
BDBM50987 Cc1ncc(n1Cc1cccc2ccccc12)[N+]([O-])=O
BDBM50885 Clc1ccc(cc1)C1=Nc2ncnn2C(C1)c1ccco1 |t:8|
BDBM50833 Cc1ccn(n1)C(=O)c1ccc(NC(=O)C2CCCCC2)cc1
BDBM50592 CC(C)(C)C1=CC=C(C(=O)C1=O)C(C)(C)C |c:6,t:4|
BDBM49341 COc1ccc(C2CC(=NCCS2)c2c(O)cc(C)oc2=O)c(OC)c1 |c:8|
BDBM52648 CCCCN1C(S\C(C1=O)=C1/Sc2ccccc2N1C)=Nc1nnc[nH]1 |w:20.23|
BDBM52488 Cc1cc(NC(=O)C(=C\c2ccc(o2)-c2ccc(SC(F)F)cc2)\C#N)n(n1)-c1ccccc1
BDBM52109 CN1CCc2c(C1)sc1NC(NC(=O)c21)c1ccccn1
BDBM51805 COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
BDBM51766 COc1ccc[c-](\C=[NH+]\NC(=O)c2cc3cc(ccc3s2)[N+]([O-])=O)c1=O
BDBM51690 O=C(Nc1ccc(cc1)-c1nc2cc(NC(=O)c3cccs3)ccc2o1)c1cccs1
BDBM51641 CCOc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1ccccc1C |c:13,t:10|
BDBM55620 COc1ccc2c(cc(=O)oc2c1)-c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O
BDBM55710 [O-][N+](=O)c1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
BDBM55537 CCOC(=O)c1ccc(cc1)-c1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)o1
BDBM55685 Cc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl
BDBM55563 Fc1ccc(cc1)C(N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NC1CCCCC1
BDBM55783 CCOc1ccc(cc1)-n1c(N)c2c(C)nnc2nc1SCC(=O)Nc1ccc(Br)cc1
BDBM54828 CS(=O)(=O)c1sc(C#N)c2CC(CC(=O)c12)c1ccccc1
BDBM54838 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
BDBM54839 CCc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
BDBM54825 CCn1c(Cl)c(C=O)sc1=NS(=O)(=O)c1ccccc1
BDBM54849 CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
BDBM55358 CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM54238 ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cccs1)c1ccc(Cl)cc1
BDBM54207 Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)c(C)c1
BDBM54208 Cc1sc(NC(=O)c2nn(C)cc2[N+]([O-])=O)nc1-c1ccc(C)cc1
BDBM54216 [#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]-[#6]
BDBM58332 CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(=O)CCl)c21)C(C)(C)C
BDBM57953 Cc1ccc(cc1)C(=O)\C=C\C(=O)c1ccc(C)cc1
BDBM58065 CCOc1cc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)ccc1O |w:8.8|
BDBM56906 Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12
BDBM57053 Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
BDBM57062 Cc1cc(C)n(n1)-c1nc(Nc2ccccc2C)nc(n1)-n1nc(C)cc1C
BDBM57399 CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
BDBM57528 O=C(Oc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)c1)c1ccco1 |w:10.10|
BDBM57650 Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25|
BDBM57696 NS(=O)(=O)c1ccc(NN=C2CCCCC2C2CCCCC2)c(c1)[N+]([O-])=O |w:9.8|
BDBM57282 Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
BDBM56541 Cc1ccc(C)c(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
BDBM56109 O=P(C(N1CCOCC1)c1c[nH]c2ccccc12)(N1CCOCC1)N1CCOCC1
BDBM56561 Cc1nn(c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1)-c1ccccc1
BDBM61049 COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1
BDBM61056 Nc1c(sc2nc3ccc(OC(F)(F)F)cc3cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM61070 CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1 |w:6.6,t:18|
BDBM61020 CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
BDBM59070 CCOc1ccc(NCc2cccn2-c2nnc(s2)N2CCC(CC2)C(=O)NCCCN2CC(C)CC(C)C2)cc1
BDBM59071 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1
BDBM59072 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC(C)C1
BDBM59798 COc1ccccc1NC(=O)CC1COc2ccccc2O1
BDBM59806 Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C
BDBM58859 COc1cc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O
BDBM58857 Cc1cccc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)c1
BDBM58858 Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
BDBM58860 [O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(Cl)c1
BDBM58554 CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1cccc(C)c1
BDBM58626 Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
BDBM58875 Cc1ccc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)cc1
BDBM58490 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
BDBM58748 OC(=O)c1cc(Br)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
BDBM58855 Cc1ccc(cc1C)C(=O)Nc1nnc(o1)C1=COCCO1 |t:18|
BDBM63039 Cc1coc(NC(=O)CSc2nc(cc(c2C#N)C(F)(F)F)-c2ccc(Cl)cc2)n1
BDBM63166 CCCCNC(=O)c1ccc(Cn2c(=S)[nH]c3c4cc(OC)ccc4[nH]c3c2=O)cc1
BDBM63064 COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+]([O-])=O)cc(c2)[N+]([O-])=O)cc1
BDBM63097 COc1ccc(OC)c(c1)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)C#C
BDBM63120 COc1ccc(\C=C\C(=O)NC(=S)NCCc2ccc(OC)c(OC)c2)cc1
BDBM63203 CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O
BDBM62538 CCOC(=O)CCCNS(=O)(=O)c1c(C)ccc2nsnc12
BDBM62063 CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc12
BDBM61665 Cc1ccc(NN2C(=O)C=C(C2=O)c2ccc(Cl)cc2)cc1 |c:9|
BDBM61735 COc1cc(NC(=O)c2ccccc2F)ccc1NC(=O)c1cc2ccccc2o1
BDBM61697 COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1cc2ccccc2o1
BDBM61577 CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O
BDBM61584 COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 |c:4,31|
BDBM61114 [#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|
BDBM61520 [H]C12CCC([H])(N1C)\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1 |TLB:19:18:6:3.2,THB:9:8:6:3.2|
BDBM61441 CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cccc(Cl)c1 |t:1|
BDBM61545 Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)sc[n+]1CC#N
BDBM61616 Clc1ccccc1Cn1ncc(Cl)c(Cl)c1=O
BDBM61447 CCOC(=O)C(=Cc1cccnc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
BDBM61135 CCc1ccc(Nc2n[n+](c(\C=C\c3ccccc3)s2)-c2ccccc2)cc1
BDBM66353 CCOC(=O)CSc1nnc(Cc2ccc(OC)cc2)n1-c1ccccc1
BDBM66354 CCCOc1ccc(cc1)-n1c(O)c2ON(C(CCC)c2c1O)c1ccccc1
BDBM66355 CCCCCCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C
BDBM66356 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,)|
BDBM66357 CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C#N)c1C
BDBM66280 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,)|
BDBM66281 O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccco1
BDBM66282 CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2cc(Br)ccc2o1
BDBM66319 CCOc1ccc(cc1)N1C(=O)CNC1=Nc1ccccc1F |w:15.17|
BDBM66320 Fc1ccc(Cn2c(cc3sccc23)C(=O)N2CCCc3ccccc23)cc1
BDBM66422 COc1ccc(CCNC(=O)CSc2nc(ccc2C#N)-c2ccc(OC)c(OC)c2)cc1
BDBM66423 CCSc1ccc(cc1)-c1nn(cc1\C=C(\C#N)C(=O)NC)-c1ccccc1
BDBM66424 Cc1cccc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
BDBM66017 Cc1cccc(C)c1NC(=O)C(Cl)C(=O)c1ccccc1
BDBM66283 Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1
BDBM66284 CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
BDBM66285 COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
BDBM66358 O=C(Nc1ccccc1)C1CC(=O)OC11CCCCC1
BDBM66359 O=C(Nc1nc2CN(Cc3ccccc3)CCc2s1)C(=C\c1ccc(OCc2ccccc2)cc1)\C#N
BDBM66360 Cc1cc(C)cc(c1)C(=O)N1CC(=O)Nc2ccccc12
BDBM66427 Cn1cc(c(n1)C(=O)Nc1cc(Oc2ccccc2)cc(c1)[N+]([O-])=O)[N+]([O-])=O
BDBM66428 CC(C)CNC(=S)N(Cc1ccco1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
BDBM66429 CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccccc1[N+]([O-])=O
BDBM66430 [O-][N+](=O)c1ccc(CN2CCOCCOCCOCC2)cc1
BDBM66431 COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
BDBM66286 Cc1cc(C2C(C#N)C(=N)SC(=N)C2C#N)c(C)s1
BDBM66287 COc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C
BDBM66321 Fc1cccc(C(=O)N2CCCC2)c1F
BDBM66322 Cc1c(O)c(=O)ccn1Cc1ccccc1
BDBM66323 COc1cccc(c1)-c1cc(O)c2cc(NC(=O)c3ccc(cc3)N(C)C)ccc2n1
BDBM66324 FC(F)(F)c1cnc(CONC(=O)NC=NOCc2ccc(Cl)cc2Cl)c(Cl)c1 |w:15.15|
BDBM66325 FC(F)(F)c1cc(nc(SCC(=O)Nc2sc3CCCc3c2C#N)c1C#N)-c1ccccc1
BDBM66326 CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCCC1=O)C(F)(F)F
BDBM66361 COc1ccc(cc1)C1Nc2ccc3ccccc3c2-c2c1c(=O)oc1ccccc21
BDBM66425 CN(c1ccccc1)c1ccc(\C=C\[N+]([O-])=O)cc1
BDBM66288 COc1ccc(cc1)S(=O)(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
BDBM66289 CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC
BDBM66290 Clc1ccc2nc(cc(C(=O)N3CCN(CC3)C(=O)c3ccco3)c2c1)-c1ccccn1
BDBM66362 COc1ccc(cc1)N1C(C(CCC1=O)C(O)=O)c1ccc(OC)c(OC)c1
BDBM66363 OC1(CC(=NN1C(=O)c1ccc(COc2ccc3ccccc3c2)o1)C(F)F)C(F)F |c:3|
BDBM66364 Cc1cccc(NC(=O)CSc2nc(C)c(CC(=O)c3ccc(Br)cc3)c(C)c2C#N)c1C
BDBM66365 CC1CCc2c(C1)sc(NC(=O)CNS(=O)(=O)c1cc(C)ccc1C)c2C(N)=O
BDBM66366 CCOC(=O)c1c(C)nc2sc(C(=O)Nc3ccc(cc3)C(C)=O)c(N)c2c1-c1ccc(OC)cc1
BDBM66367 Fc1ccc(NC(=O)C(=O)NN=Cc2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)o2)cc1
BDBM66368 CC(C)OC(=O)CN1C(=O)S\C(=C\c2ccc(o2)N2CCCCC2)C1=O
BDBM66369 Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cn1nc(c(Cl)c1C)[N+]([O-])=O
BDBM66370 COc1cc(cc(OC)c1OC)-c1cc(nc(SCC(=O)Nc2nccs2)c1C#N)-c1ccccc1
BDBM66371 Cc1nn(c(C)c1C=NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)-c1ccccc1 |w:8.9|
BDBM66372 CCCc1ccc(OCc2ccc(o2)C(=O)N\N=C\c2cccc(c2)[N+]([O-])=O)c(OC)c1
BDBM66373 Fc1ccc(C=CC(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 |w:6.6|
BDBM66374 CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc2OCC(=O)Nc2c1
BDBM66375 CCC(NC(=O)c1cccc(Cn2cc(cn2)[N+]([O-])=O)c1)c1ccc(cc1)C(C)C
BDBM66376 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|
BDBM66377 CSc1nnc(-c2cc3c(nn(C)c3s2)-c2ccccc2)n1C
BDBM66378 OC(CN(Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1)C(F)(F)F
BDBM66379 CC(Oc1ccc(cc1)-c1nccc(n1)-c1ccccn1)C(=O)NN
BDBM66380 Cc1cccc(C)c1NC(=O)CSc1nc(C)c(CC(=O)c2ccc(Br)cc2)c(C)c1C#N
BDBM66381 CCc1nn(c(N)c1C#N)-c1cc(Oc2cccc3ccccc23)nc(n1)-c1ccccc1
BDBM66382 CCN(C(=O)c1ccc2c(OCC=C)n(C)nc2c1)c1ccc(OC)cc1
BDBM66383 N#C\C(=C/c1ccc(o1)N1CCOCC1)c1ccccc1
BDBM66384 O=C1C(Cc2ccccc2)S\C(=N/c2ccccc2)N1c1ccccc1
BDBM66385 CCc1nnc(NC(=O)CSc2nc(cc(-c3ccc(F)cc3)c2C#N)-c2ccccc2)s1
BDBM66386 Cc1ccc(NC(=O)c2ccc(N=NCc3cccc(O)c3)c(c2)[N+]([O-])=O)cc1 |w:12.11|
BDBM66387 COc1ccc(NC(=O)C(NC(C)=O)C(=O)NCc2ccccc2Cl)cc1
BDBM66388 CONC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
BDBM66389 Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1csc(Nc2ccccc2C)n1
BDBM66390 COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O
BDBM66391 Cc1cccc(C=NNC(=O)c2cc3CCc4ccccc4-c3s2)c1
BDBM66392 Cc1ccc(cc1)C1(CC1C(=O)Nc1ccc(cc1O)[N+]([O-])=O)c1ccc(C)cc1
BDBM66393 COc1ccc(cc1OC)C(=O)Sc1ccc(Cl)cc1
BDBM66426 Cc1cc(N2C(=O)C=CC2=O)c(cc1C)[N+]([O-])=O |c:7|
BDBM66222 COCCNC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(C)cc1C)c1ccco1
BDBM66223 O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1)c1cccs1
BDBM66224 COc1ccc(OC)c(c1)C1C(C(C)=O)C(=O)C(=O)N1Cc1cccnc1
BDBM66255 CN1CCN(CC1)c1nccc2n(C)cnc12
BDBM66256 Oc1ccc(Br)cc1C(=O)c1cc(C#N)c(=O)n(c1)C1CC1
BDBM66257 CCOC(=O)N1CCN(CC1)C(=O)c1ccc2nc(sc2c1)N1CCC(C)CC1
BDBM66291 Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)c(C)c1C
BDBM66292 COCc1cc(C)nc(SCC(=O)Nc2ccc3OCOc3c2)c1C#N
BDBM66293 OC(COc1ccc2ccccc2c1Br)Cn1ccnc1
BDBM66327 OCCC1Oc2cccnc2NC1=O
BDBM66328 CN(C)CC#CCCCCCCC#CCN(C)C
BDBM66329 Clc1ccccc1\C=C(/N1C=CC=CC1=C(C#N)C#N)C(=O)c1ccccc1 |c:11,13|
BDBM66396 CCOc1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)c(c1)[N+]([O-])=O |w:14.14|
BDBM66394 CC(=O)N1CCN(CC1)C(=S)c1ccc(cc1)[N+]([O-])=O
BDBM66395 S=C(NCCc1ccccc1)NC1CCCCCC1
BDBM66433 COc1ccc(OC)c(NC(=O)c2cc3c(Cl)nc4ccccc4c3s2)c1
BDBM66434 COc1cccc(c1)C(=O)NCC(=O)NN=Cc1ccc(OC(=O)c2cccs2)c(OC)c1
BDBM66435 Cc1c(cccc1C(O)=O)N1N(O)c2ccccc2NC1=O
BDBM66436 [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|
BDBM66437 COc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c(OC)c1 |w:6.5|
BDBM66438 CCOC(=O)Cc1csc(N=Cc2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 |w:10.9|
BDBM66439 CC(C)CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:9.9|
BDBM66440 CC1CCCN(C1)c1nc(Nc2cccc(C)c2)nc(N)c1[N+]([O-])=O
BDBM66441 [O-][N+](=O)c1ccc(cc1)C(=O)CSc1nc2ncc(Br)cc2[nH]1
BDBM66442 Cc1ccc(CSc2ncnc3n(ncc23)-c2ccccc2)cc1
BDBM66443 CCC1(C2c3ccccc3OC(=O)C12C(=O)Nc1ccccc1)C(=O)c1ccc(Cl)cc1
BDBM66444 COc1ccc2[nH]c3c([nH]c(=O)n(N=C[C@@H]4C(C)CC(C)=CC4C)c3=O)c2c1 |w:13.12,c:20|
BDBM66445 CC(=O)Nc1sc(N=NCc2cccc(Cl)c2)nc1-c1cccs1 |w:7.6|
BDBM66446 COC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1
BDBM66447 CCOc1cc2CC(=O)N(C(c3ccccc3)c2cc1OCC)c1ccccc1
BDBM66448 O=C(NCC1OCCCN1S(=O)(=O)c1ccccc1)C(=O)NCc1cccs1
BDBM66449 COc1ccc2n(CC(=O)Nc3ccc(F)cc3)cc(C(=O)c3ccc(F)cc3)c(=O)c2c1
BDBM66450 CCOC(=O)CSCC(=O)N1N=C(CC1c1ccc(F)cc1)c1cccs1 |c:11|
BDBM66451 CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)Nc2cccc(C)c2)n1-c1ccc(F)cc1
BDBM66452 CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1ccccc1)S(C)(=O)=O |t:12|
BDBM66453 CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cc(C)ccc1C
BDBM66454 COC(=O)c1ccc(Cl)cc1NC(=O)\C=C\c1ccc(C)o1
BDBM66455 CN(C)CCN(C(=O)\C=C\c1cccs1)c1nc2c(F)cc(F)cc2s1
BDBM66456 COc1cc2c(cc1NC(=O)COC(=O)\C=C\c1ccccc1)oc1ccccc21
BDBM66457 CCc1nc(NNC2=c3ccccc3=NC2=O)c2c3CCCc3sc2n1 |c:7,14|
BDBM66458 CCCCNC(=S)NN=Cc1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1 |w:8.7|
BDBM66459 COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2COc3ccccc3-c2s1
BDBM66460 Cc1cccc(NC(=O)CCC(=O)NN=Cc2ccco2)c1C
BDBM66461 CN(Cc1ccc(cc1)C(=O)NN=Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1ccc(C)cc1
BDBM66462 COC(=O)CSc1nc(N)c2c3CC(SC(c3sc2n1)c1ccccc1)c1ccccc1
BDBM66463 COc1ccc(cc1)-c1nc(NC(=O)c2n[nH]c(=O)c3ccccc23)sc1C
BDBM66464 Cc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(Nc1cccc(C)c1)c1ccccc21
BDBM65985 CCOC(=O)C(C(C(=O)OCC)C(=O)OCC)N1CCOCC1
BDBM66225 CN(C)Cc1ccc(O)c(CCc2ccccc2)n1
BDBM66226 Nc1nc(CSc2nc3ccccc3[nH]2)nc(n1)N1CCOCC1
BDBM66258 CSc1ccccc1NC(=O)CCn1c2ccccc2sc1=O
BDBM66259 CCOC(=O)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1
BDBM66294 CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1
BDBM66295 CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl
BDBM66330 O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1CCCO1
BDBM66331 O=C(NCc1ccccc1)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1
BDBM66332 CC1(C)CC(=O)c2cc3c(N)c(sc3nc2C1)C(=O)NCc1ccccc1
BDBM66333 Cc1ccc(NC(=S)NC(NC(=O)Cc2cccc3ccccc23)C(Cl)(Cl)Cl)cc1
BDBM66334 CC(C)CCNC(=O)c1cc(nc2ccc(cc12)S(=O)(=O)N1CCOCC1)-c1ccncc1
BDBM66335 Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2ccc(F)cc2)n1CC=C)C(F)(F)F
BDBM66397 CCN(CC)C(=S)SCC(=O)Nc1ccc(F)cc1
BDBM66207 Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(Br)cc1
BDBM66227 Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccccc1
BDBM66228 CCOc1ccc2nc(NCCNC(=O)Nc3cccc(C)c3)c(cc2c1)C#N
BDBM66229 Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1
BDBM66230 CCOc1cccc(c1)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1ccncc1
BDBM66231 O=C(NCc1ccc2OCOc2c1)C1CCN(CC1)c1ncccn1
BDBM66232 CC1Cc2ccccc2N1C(=O)C1CCN(CC1)S(=O)(=O)Cc1ccccc1
BDBM66233 Fc1ccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1
BDBM66234 COc1ccc(cc1)N1CCN(CC1)C(=O)CCn1nnc2ccccc12
BDBM66235 [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|
BDBM66236 CCC(N1CCCC1)=C1C(=O)CC(C)(C)C(C(=O)OC)C1=O |w:8.21|
BDBM66237 CCCn1c2ccccc2n(CCOc2ccc(OC)cc2)c1=N
BDBM66260 COCC(=O)NC(C)c1nc2ccccc2[nH]1
BDBM66261 CC1=Nc2nc(nn2C(C1C(N)=O)c1ccc2OCOc2c1)-c1cccc(C)c1 |t:1|
BDBM66262 Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(O)=O
BDBM66296 OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(Cl)cn1
BDBM66297 CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
BDBM66298 CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
BDBM66299 Fc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(Br)c1
BDBM66337 Cc1ccc(cc1)S(=O)(=O)CC#CCOC(=O)c1ccc(cc1)[N+]([O-])=O
BDBM66432 CCN1C(=S)O\C(C1=O)=C1\Sc2ccccc2N1CC
BDBM65990 Clc1ccc(NC(=O)c2cccc(c2)N2C(=O)C=CC2=O)c(Cl)c1 |c:18|
BDBM66263 COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl
BDBM66264 CC1CC(C)CN(C1)C(=O)CCCn1c(=S)[nH]c2ccccc2c1=O
BDBM66265 O=C(Cc1ccc(cc1)-n1cccc1)NC1CCCCC1
BDBM66266 CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC
BDBM66267 O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)N1CCN(CC1)C(=O)c1ccco1
BDBM66268 CC1CCN(CCCNC(=O)c2cn(C)c3ccc(cc3c2=O)S(=O)(=O)N2CCCC2)CC1
BDBM66269 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1cccc(OC)c1
BDBM66270 COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
BDBM66271 CC(=O)Nc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1
BDBM66272 CN(C(=O)CCS(=O)(=O)c1cccc2nonc12)c1cccc(C)c1
BDBM66273 Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Cl)c1
BDBM66274 CCOc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccc(C)cc1
BDBM66275 CN(c1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F)S(C)(=O)=O
BDBM66276 CCC(=O)c1ccc(N2CCN(CC2)C(=O)Cc2ccccc2)c(F)c1
BDBM66300 COCCCN(C(C)c1ccncc1)C(=O)Nc1ccccc1
BDBM66301 O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(CC1)C1CCCCC1
BDBM66302 [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|
BDBM66303 COc1ccc(cc1)C1(CCOCC1)C(=O)NCCCN(C)C
BDBM66304 COc1ccccc1NC(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
BDBM66305 COc1cc(NC(=O)Nc2ccccc2)c(cc1OC)C(O)=O
BDBM66082 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
BDBM66336 OC(=O)c1cn(-c2ccccc2)c(=O)c2ccccc12
BDBM66403 CCOC(=O)C1=C(C)N(C)C(=O)C1CC(O)=O |c:5|
BDBM66404 CCCCc1ccc(cc1)-c1csc(n1)C(=C/c1ccc(C)o1)\C#N
BDBM65997 C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1cccs1)-c1ccccc1 |w:7.8|
BDBM66338 COc1ccc(CN2CCCCC2C)cc1C
BDBM66339 Cn1c2ccccc2sc1=NC(=O)CCl |w:10.12|
BDBM66340 COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1
BDBM66398 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C
BDBM66399 OC(=O)c1cccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)c1
BDBM66400 COc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1 |w:14.13|
BDBM66401 COc1cc(\C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F
BDBM66402 COc1ccccc1CC(=[NH2+])[N-]OC(=O)c1cccc(c1)[N+]([O-])=O
BDBM66405 Cc1ccc(NC(=O)c2ccc(NCC3CCCO3)c(c2)[N+]([O-])=O)cc1Cl
BDBM66406 COc1cc(\C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C
BDBM66407 Brc1ccc(cc1)C(=C/c1ccc(o1)N1CCOCC1)\C#N
BDBM66408 [O-][N+](=O)c1cc(ccc1NCCCNC(=O)c1ccc(F)cc1)C(F)(F)F
BDBM66409 Brc1cccc(c1)-[#6](=O)-[#7]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12
BDBM66410 CC(CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM66411 COc1ccc(cc1)-c1cc(=O)oc2c(C)c(OC(=O)c3cccs3)ccc12
BDBM66412 CCc1ccc(Oc2coc3cc(OCC(=O)Nc4cc(C)ccc4C)ccc3c2=O)cc1
BDBM66413 [O-][N+](=O)\C=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12
BDBM66414 CCOC(=O)c1cc(CC)sc1NC(=O)C1CC(=O)NN1Cc1ccccc1
BDBM66415 CC(C)OC(=O)c1c(NC(=O)\C=C\c2ccc(C)o2)sc(C)c1C
BDBM66306 CCCc1nc2sc3CCCc3c2c(=O)n1N
BDBM66307 Oc1ccc(O)n1-c1cccc(OC(=O)Cc2ccccc2)c1
BDBM66341 COc1ccc(cc1Br)C(=O)NCc1cccnc1
BDBM66001 C=c1[nH][nH]c(=O)c1=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:7.8|
BDBM66238 N#C\[#7]=[#6]-1/[#16]-[#6]-[#6]-[#16]-1
BDBM66239 COc1ccccc1C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM66240 COC(=O)c1ccc(NC(=O)CCN2CCN(CC2)c2ccccc2)cc1
BDBM66241 Fc1ccc(cc1)-c1nn(cc1C1NC(=O)NC1=O)-c1ccccc1
BDBM66242 CCOC(=O)c1oc2ccccc2c1NC(=O)CN1CCN(C)CC1
BDBM66308 Cc1ccc(cc1)S(=O)(=O)NCCN1CCOCC1
BDBM66309 Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1
BDBM66310 COC(=O)c1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(C)cc2)cc1
BDBM66342 Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1
BDBM66343 Cc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1 |t:9|
BDBM66344 COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1cc(C)ccc1C |c:12,t:9|
BDBM66051 Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|
BDBM66311 COc1ccccc1N1CCN(CC1)C(c1nnnn1CCc1ccccc1)c1ccccc1
BDBM66312 COc1ccc2nc(SCC(=O)N3CCN(CC3)c3ccc(F)cc3)c(cc2c1)C#N
BDBM66313 CCOc1nc(NCCO)nc(NCCC2=CCCCC2)n1 |t:15|
BDBM66314 CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1OC
BDBM66315 COc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(C)=O)cc1
BDBM66316 CC(Sc1nc(cc(n1)C(F)(F)F)-c1ccccc1)C(=O)N1CCCCC1
BDBM66317 Fc1cccc(c1)-c1nc2cc(NC(=O)c3ccccc3F)ccc2o1
BDBM66318 C(Nc1nnc[nH]1)c1ccc(NCc2cccc3ccccc23)cc1
BDBM66345 CCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1
BDBM66346 CC(C)(C)C1CCc2onc(C(=O)Nc3cccc(O)c3)c2C1
BDBM66347 COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1
BDBM65895 CCSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(F)cc2)s1
BDBM65896 CCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)s1
BDBM66243 Cc1nc2sc(C(O)=O)c(N)c2c2CC(C)(C)OCc12
BDBM66244 CCN(CC)CCCN=C(C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O |w:8.7|
BDBM66348 Clc1ccc(C(=O)Oc2cccc(C=O)c2)c(Cl)c1
BDBM66349 Cc1ccc(cc1)-c1noc(CSc2nnc(CCc3ccccc3)n2-c2ccccc2)n1
BDBM66245 CCN(CC)CCCN=C(C)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O |w:8.7|
BDBM66246 Cn1nc(-c2ccc(OCC(=O)NCC3CCCO3)cc2)c2ccccc2c1=O
BDBM66247 CC(C)(C)OC(=O)NCCc1nnc(o1)S(=O)(=O)Cc1ccc(Cl)cc1Cl
BDBM66248 CC(O)[C@H](NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C(O)=O
BDBM66249 O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCc2ccccc2C1
BDBM66250 O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12
BDBM66251 Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)OCCNC(=O)c1ccncc1
BDBM66252 Cc1ccc(cc1)S(=O)(=O)NCC(=O)OC1CCOC1=O
BDBM66253 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1
BDBM66254 COc1ccc(CC(=O)Nc2ccc3CCCc3c2)cc1S(=O)(=O)N1CCOCC1
BDBM66277 COc1oc(nc1C(F)(F)F)-c1ccccc1
BDBM66278 COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O
BDBM66279 COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc12
BDBM66350 Cc1cc(C)cc(COn2ccnc2)c1
BDBM66351 [O-][N+](=O)c1cc(ccc1S(=O)CC(=O)Oc1ccccc1)C(F)(F)F
BDBM66352 CCOc1cc(C=NN=C(N)c2nonc2N)cc(Br)c1OCc1cccc2ccccc12 |w:7.7,9.9|
BDBM66416 CCCCOC(=O)c1ccc(o1)S(N)(=O)=O
BDBM66417 Cc1ccc(cc1)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12
BDBM66418 Cc1cc(C)cc(NC(=O)C(=C\c2cn(CC(=O)NCc3ccco3)c3ccccc23)\C#N)c1
BDBM66419 [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
BDBM66420 [O-][N+](=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)nc1
BDBM66421 [O-][N+](=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCCCC2)cc1
BDBM64465 COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM64376 COc1ccccc1CN1CC(CCC1=O)C(=O)NCCN1CCNC1=O
BDBM64390 CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)NN=Cc1ccc[nH]1 |w:17.18|
BDBM65076 FC(F)(F)c1cccc(c1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
BDBM64865 OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1cccc(Cl)c1
BDBM64937 O=C(CN1C(=O)COc2ccccc12)NCCCN1CCc2ccccc2C1
BDBM65325 Cc1cc(Sc2ncnc(N)c2[N+]([O-])=O)ncn1
BDBM64753 CCOc1ccc(nn1)-c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM64773 NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,10.11,23.23|
BDBM65422 CC(=O)Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)C(C)(C)C
BDBM63969 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(C)cc1
BDBM63919 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
BDBM67051 [O-][n+]1ccccc1SCC(=O)NC1CCCCC1
BDBM67071 Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3)cc2)c1C
BDBM67072 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,)|
BDBM67039 FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCCC1
BDBM67040 FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl
BDBM67073 Cc1cc(C)n2nc(SCC(=O)NC(=O)c3ccccc3)nc2n1
BDBM67074 CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cccc(c1)S(N)(=O)=O
BDBM67075 Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc(cc1)S(C)(=O)=O
BDBM67076 OC(=O)COc1ccccc1CN=Nc1ccc(cc1S(=O)(=O)Nc1ccc(Cl)cc1)[N+]([O-])=O |w:13.14|
BDBM67077 COc1ccc(CCNC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)cc1
BDBM67078 CCC(C)Nc1nnc(SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)s1
BDBM67079 NC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1
BDBM67080 CC(=O)Nc1ccc(C(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)c(F)c1
BDBM67081 Cc1ccc(NC(=O)COC(=O)CCc2c(C)nc3ncnn3c2C)cc1C
BDBM67082 FC(F)(F)c1cccc(NC(=O)CNc2cccc(c2)S(=O)(=O)N2CCCC2)c1
BDBM67083 O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1
BDBM67084 COc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1
BDBM67085 Brc1ccccc1C(=O)OCC(=O)NC1CCCCCCC1
BDBM67086 COc1cc(NS(=O)(=O)c2cc(ccc2OC)C(=O)NCCc2ccccn2)cc(OC)c1
BDBM67087 COc1ccccc1OCC(=O)NNC(=O)c1ccc(F)c(c1)S(=O)(=O)N1CCOCC1
BDBM67088 Fc1cc(Br)ccc1OCC(=O)NCC1(CCCCC1)N1CCCCC1
BDBM67089 NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
BDBM67090 COc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCN(CC1)c1ccc(O)cc1
BDBM67091 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
BDBM67092 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|
BDBM67041 O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(\C=C\c3ccccc3)cc1S2(=O)=O
BDBM67042 CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Cl
BDBM67043 COc1ccc(cc1)[C@H]1CC(=O)C=C(C1)c1ccccc1C(F)(F)F |c:13|
BDBM67044 FC(F)(F)Oc1ccc(cc1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1ccccc1Br
BDBM67045 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|
BDBM67046 CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cccc2ccccc12
BDBM67047 Cc1cc(NC(=O)COC(=O)[C+]2CCC(=O)N([N-]2)c2ccccc2)c(cc1C)[N+]([O-])=O
BDBM67048 COc1ccc(cc1)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)NCc1ccco1)N(C)C
BDBM67049 OC(=O)CCC(=NNC(=O)c1cccc(c1)S(=O)(=O)N1CCCCC1)c1ccccc1 |w:6.6|
BDBM67050 CCOc1ccc(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)cc1 |w:18.18|
BDBM67052 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|
BDBM67053 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|
BDBM67054 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
BDBM67055 CCCN1C(=O)C(=O)c2cc(C)ccc12
BDBM67056 Cc1ccc2N(Cc3ccc(Br)cc3)C(=O)C(=O)c2c1
BDBM67057 Cc1ccc2N(Cc3ccc(Cl)cc3)C(=O)C(=O)c2c1
BDBM67058 COc1cc2sc(c(C(=O)NCCCCO)c2cc1OC)-c1ccc(cc1)S(C)(=O)=O
BDBM67059 C(CN1CCOCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
BDBM67060 C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1
BDBM67061 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
BDBM67062 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2c(NS(=O)(=O)c3cccs3)cccc2C1=O
BDBM67063 C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2C1=O
BDBM67064 C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(cc2)-c2ccccc2)Oc2ccc(NS(=O)(=O)c3ccccc3)cc2CC1=O
BDBM67065 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
BDBM67066 C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3cn(C)cn3)cccc2C1=O
BDBM67067 C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O
BDBM67068 CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1
BDBM67069 COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2N2CCOCC2)cc1
BDBM67070 CC(C)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)N1CCOCC1
BDBM67024 CN(C1CC1)C(=O)c1ccc(NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)cc1
BDBM67025 CN(CCc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc(c2)[N+]([O-])=O)c1
BDBM67026 CC(=O)Nc1ccc(SCCN2CC[C@H](CCC2=O)C(C)(C)C)cc1
BDBM67027 CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)C(C)(C)C)cc1
BDBM67028 [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|
BDBM67029 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|
BDBM67030 [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
BDBM67031 Cn1nnnc1Sc1ncnc2scc(-c3cccc4c5ccccc5sc34)c12
BDBM67032 COc1cc2cnc(-c3ccccc3)c(-c3cccc(c3)C(F)(F)F)c2cc1OC
BDBM67033 COc1ccc(cc1)-c1oc(=O)c2cc(OC)c(OC)cc2c1\C=C\c1cccc(c1)[N+]([O-])=O
BDBM67034 [H][C@]12COc3ccc(OC)cc3[C@]1([H])N1C(=O)CN(CC3CCCO3)C(=O)[C@@]1(C)[C@H]2C(=O)OCC
BDBM67035 CCCNC(=O)C(Cc1ccccc1)NC(=O)Cc1ccccc1
BDBM67036 CCCNC(=O)C(Cc1ccccc1F)NC(=O)c1ccccn1
BDBM67037 Cc1nc(SCc2nc3c(cccc3[nH]2)[N+]([O-])=O)c2oc3ccccc3c2n1
BDBM67038 CC(C)c1cccc(c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC1CCCC1
BDBM66558 Cc1cc(NC(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)no1
BDBM66559 COc1ccc(cc1)C(=O)NNC(=O)CSc1nc2n(C)c(=O)n(C)c(=O)c2n1C
BDBM66561 Cc1ccc(OCCC(=O)Nc2ccc(C)c(F)c2)cc1
BDBM66562 NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3OCCOc3c2)cc1
BDBM66597 Cc1cc(C(=O)CCl)c(C)n1CCc1ccc(Cl)cc1
BDBM66598 COCCCn1cc(cc(C#N)c1=O)C(=O)c1cc(OC)ccc1OCC(=O)N1CCCCC1C
BDBM66599 CN(CC(O)COC(c1ccccc1)c1ccccc1)C1CCCCC1
BDBM66600 COCCN(C(=O)CSc1nc2ccccc2c(=O)n1C(C)COC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM66666 [#6]-[#16]\[#6](-[#16]-[#6])=[#6](\C#N)-[#6](=O)-c1ccccc1
BDBM66667 [#6]-c1ccc(cc1)-c1csc(\[#7]=[#6](\[#7])-[#7])n1
BDBM66668 FC(F)(F)c1nnc(Sc2ccc(cn2)C(F)(F)F)[nH]1
BDBM66669 CCCCc1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)C1
BDBM66744 CC(C)COc1ccc2[nH]c3c(CCC(=C)C3=O)c2c1
BDBM66745 COc1ccc(Nc2cc3-c4cc(OC)c(OC)cc4CCn3c(=O)n2)c(C)c1
BDBM66746 Cc1ccc(cc1)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)CCl
BDBM66930 CC1CCCCC11NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
BDBM66931 CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2ccc(cc2)C(C)(C)C)CC1
BDBM66932 Cc1ccccc1S(=O)(=O)N(CC(O)CN1CCCCC1)c1ccccc1
BDBM66933 Cc1cc(=O)oc2c(C)c(OCC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)ccc12
BDBM66934 CC(C)[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)NC1CCCC1
BDBM66935 CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CCN(Cc4ccccc4)CC3)c12
BDBM66936 COc1ccc(\C=C2/SC(=O)N(CCC(=O)N(C)C3CCS(=O)(=O)C3)C2=O)cc1
BDBM66937 Clc1cccc(NC(=O)Cn2cnc3c4cc5CCCCc5nc4oc3c2=O)c1
BDBM66938 CCOC(=O)N1N(C(=O)OCC)[C@](C(C)C)(C1=O)c1ccc(Cl)cc1
BDBM66939 Cc1ccc(OCCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1
BDBM66940 NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/C(=O)Nc3ccccc23)o1
BDBM66941 COc1cc(cc(OC)c1OC)-c1nnc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)o1
BDBM66942 CCn1c(SCC(=O)Nc2ccc(cc2)C(C)=O)nc2c3ccccc3[nH]c2c1=O
BDBM66943 CN(C)CCCN(C(=O)c1ccc(s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
BDBM66944 CN(C)CCCN(C(=O)c1cc2cc(ccc2s1)[N+]([O-])=O)c1nc2cc3OCCOc3cc2s1
BDBM66945 COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM66946 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
BDBM66947 Fc1cccc2sc(nc12)N(CCCN1CCOCC1)C(=O)CS(=O)(=O)c1ccccc1
BDBM66948 Fc1ccc2nc(sc2c1)N(CCCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1
BDBM66924 COc1ccc(cc1C(N)=O)S(=O)(=O)NC1CCCC1
BDBM66522 OC(=O)CCN1C(=S)S\C(=C\c2ccncc2)C1=O
BDBM66523 COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O
BDBM66524 Cc1ccc(cc1)C(N(C(=O)Cc1cccs1)c1cccnc1)C(=O)NCc1ccco1
BDBM66525 CCOC(=O)CNC(=O)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
BDBM66560 COc1cc(ccc1F)S(=O)(=O)Nc1ccncc1
BDBM66670 COc1ccc(NC(=O)\C=C\C(O)=O)c(c1)[N+]([O-])=O
BDBM66671 Brc1cc(Br)c2nc(NC(=O)c3ccco3)sc(=O)c2c1
BDBM66672 NS(=O)(=O)c1ccc(NC(=O)CN2CCc3ccccc23)cc1
BDBM66673 COc1ccc(cc1)-c1c(C#N)c(N)nc(Sc2ccc(Cl)cc2)c1C#N
BDBM66674 Oc1ccc(NC(=O)c2cccc(Cl)c2)c2oc(cc(=O)c12)-c1cccc(Cl)c1
BDBM66675 CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(O)c2c1oc(cc2=O)-c1cccc(Cl)c1
BDBM66707 Cc1cccc(C)c1NC(=O)c1cnccn1
BDBM66708 CN(CC(O)=O)S(=O)(=O)c1ccc2oc3ccccc3c2c1
BDBM66747 COc1ccc(OC)c2[nH]c(cc12)C(=O)N1CCC(CC1)C(O)=O
BDBM66748 CCc1cc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)cc1O
BDBM66749 CCNC(=O)C(=C\c1c(nc2c(C)cccn2c1=O)N1CCN(C)CC1)\C#N
BDBM66840 Clc1ccc(CCNC(=O)C2CCCN(C2)S(=O)(=O)N2CCCCCC2)cc1
BDBM66841 Cc1ccccc1NC(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:23|
BDBM66842 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)c1ccc(cc1NC(=O)c1cccnc1)C(=O)Nc1ccccc1SC |TLB:9:8:7:3.2.4|
BDBM66487 Brc1cncc(c1)C(=O)NCc1ccccc1
BDBM66488 Brc1cccc(c1)-c1cc(C(=O)NN=Cc2ccco2)c2ccccc2n1
BDBM66489 CSCc1[nH]c(=S)n(c1O)-c1ccc(C)cc1
BDBM66490 Clc1cccc(C=NNC(=O)c2ccc(Cn3cccn3)o2)c1
BDBM66491 CC(=O)c1ccc(NC(=O)CON=C(C)c2cccs2)cc1 |w:12.11|
BDBM66528 COc1ccc(cc1)-c1nn(cc1\C=C\C(=O)OCC(=O)Nc1ccccc1C#N)-c1ccccc1
BDBM66529 [O-][N+](=O)c1ccc(NC(=O)C(Cc2ccccc2)N2C(=O)c3cccc4cccc(C2=O)c34)cc1
BDBM66530 FC(F)(F)c1nc2ccccc2n1CC(=O)NNC1=c2cc(Br)ccc2=NC1=O |c:20,28|
BDBM66531 COc1ccc2c(c1)[nH]c1c2[nH]c(=O)n(N=CC2C(C)CC(C)=CC2C)c1=O |w:15.16,c:24|
BDBM66563 Cc1cc(C)cc(NC(=O)CCN2CCCC2)c1
BDBM66564 CCn1c(C)[n+](CCOC(C)=O)c2cc(Cl)c(Cl)cc12
BDBM66601 CCCCn1nc(C)c(C(O)=O)c1Cl
BDBM66602 CCN(CC)S(=O)(=O)c1cc(NC(=O)C2Cc3ccccc3C(=O)O2)ccc1C
BDBM66603 CC(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccn1
BDBM66637 CC(C)CCN1NC2(CCCC(C)C2)NC1=S
BDBM66638 Cc1cc(NC(=O)CCC(=O)N(C(C(=O)NC2CCCC2)c2ccco2)c2cc(C)ccc2C)no1
BDBM66639 O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(Cc2ccc3OCOc3c2)CC1
BDBM66640 [O-][N+](=O)c1cccc(c1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccs1
BDBM66641 Clc1ccc(OCCCC(=O)Nc2ncccn2)c(Cl)c1
BDBM66642 CCSc1nc(NCCN(C)C)c2c3CC(C)(CC)OCc3sc2n1
BDBM66709 Cc1ccsc1CNC1CCCCC1
BDBM66710 COc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc12
BDBM66711 CCCNC(=O)c1ccc(COc2ccc(Cl)cc2)o1
BDBM66712 COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cc2ccccc2o1
BDBM66750 Cc1nc(NN)c2c3CC(C)(C)OCc3sc2n1
BDBM66751 Cc1c(Cl)cccc1NC(=O)[C@@]1(CC(O)=O)CC(\C=C\c2ccccc2)=NO1 |c:27|
BDBM66752 O=C(Cc1ccccc1)N1CCc2[nH]nc(c2C1)-c1ccccc1
BDBM66792 OC(=O)c1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1Cl
BDBM66950 CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1
BDBM66951 CCN(CC)CCN(C(=O)c1cc2c(ccc3ccccc23)oc1=O)c1nc2cc3OCCOc3cc2s1
BDBM66952 CC(=O)Nc1ccc(NC(=O)C(=O)NCC(N2CCc3ccccc23)c2ccco2)cc1
BDBM66953 CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
BDBM66954 CCN(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1
BDBM66955 Cc1cc(C)c(cc1C)C(=O)COC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F
BDBM66991 [H]C12CCC([H])(C1)C(CC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1C(F)(F)F)C2 |TLB:8:7:6:3.2|
BDBM66992 CCOc1ccccc1OCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+]([O-])=O
BDBM66993 COc1ccc(cc1NC(C)=O)S(=O)(=O)Nc1ccccc1C(=O)NC1CC1
BDBM66994 Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=Cc2ccc[nH]2)c(Br)c1 |w:17.17|
BDBM66995 CC(C)Oc1ccc(cc1)C(=O)OCC(=O)NC1CCCCCC1
BDBM66996 Cc1ccc(NC(=O)Cn2c3ccccc3ncc2=O)cc1S(=O)(=O)N1CCOCC1
BDBM66997 Fc1ccc(NC(=O)COC(=O)c2ccc(CN3CCCC3=O)cc2)cc1
BDBM66998 COc1ccc(cc1S(=O)(=O)N1CCCCC1C)C(=O)Nc1ccc(NC(C)=O)cc1
BDBM66999 COc1ccc(OC)c(c1)S(=O)(=O)NC(C)c1ccc(cc1)-n1ccnc1
BDBM67000 Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCC1
BDBM67001 Fc1cccc(NC(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c1
BDBM66492 Cn1cnc(c1S(=O)(=O)c1cccc(Cl)c1)[N+]([O-])=O
BDBM66526 CCN(CC)C(=O)CCCc1c[nH]c2ccccc12
BDBM66527 Cc1nn(-c2ccc(Cl)cc2)c2oc(=O)cc(C)c12
BDBM66565 CC(N=Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)c1ccc(NC(C)=O)cc1 |w:3.3|
BDBM66566 Clc1cccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)c1
BDBM66568 Cc1cc(n2ncc(-c3cccc(Br)c3)c2n1)C(F)(F)F
BDBM66569 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,)|
BDBM66570 COc1cc(cc(OC)c1OC)C(=O)NCc1cc(C)nc2ccccc12
BDBM66571 CCOCCCNC(=O)c1ccc2Sc3ccc(Br)cc3C(CC)=Nc2c1 |c:24|
BDBM66572 Fc1ccccc1NC(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1
BDBM66573 Oc1cc(nnc1C(=O)c1ccccc1)-c1ccccc1
BDBM66574 CCOc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)S(=O)(=O)\C(=C\c2ccc(O)c(OC)c2)C1=O
BDBM66575 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,)|
BDBM66576 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,)|
BDBM66577 CCOc1ccccc1NC(=O)CN1C(=O)CSC(C)C1=O
BDBM66604 Oc1ccc(CCNC(=O)CSc2ccc3ccccc3c2)cc1O
BDBM66605 CN(C)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C)C
BDBM66606 OC(=O)\C=C\C(=O)Nc1ccc(OC(F)F)cc1
BDBM66607 Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Br)cc1
BDBM66608 CCN(CC)c1ccc(\C=N\CCc2ccc(cc2)S(N)(=O)=O)cc1
BDBM66609 O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1
BDBM66610 CN(C)c1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2ccccc2)cc1
BDBM66611 CN1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc(C)cs1
BDBM66612 CC(C)(C)NC(=O)NC(=O)COC(=O)CNS(=O)(=O)\C=C\c1ccccc1
BDBM66613 CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3N(CCCc3c2)C(C)=O)cc1
BDBM66614 COc1ccc(cc1)S(=O)(=O)N1CC(O)CC1C(=O)OCC(=O)Nc1ccc(Cl)cn1
BDBM66615 Fc1ccccc1S(=O)(=O)N1C(=O)N(C2(CCCC2)C1=O)S(=O)(=O)c1ccccc1F
BDBM66616 Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)no1
BDBM66617 CC(C)CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM66618 CC(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23
BDBM66619 CC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1C(O)=O
BDBM66620 COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O
BDBM66645 CCC(Sc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1)C(=O)Nc1ccccc1CC
BDBM66646 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|
BDBM66647 Fc1ccc(NC(=S)NNC2=c3cc(Br)ccc3=NC2=O)cc1 |c:10,18|
BDBM66648 CCOC(=O)CC1=C(C(=O)OCC)C2(C(C#N)C(=N)O1)C(=O)Nc1ccccc21 |c:6|
BDBM66649 CCCNC(=O)c1ccc2c(O)c(O)c(nc2c1)-c1ccsc1
BDBM66677 [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|
BDBM66678 CC1(C=CC2(CCCCC2)N1C(=O)c1ccccc1)C(=O)NCC1CC1 |c:2|
BDBM66679 Oc1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1
BDBM66713 Cc1ccc(NC(=O)CCN2CCOCC2)cc1C
BDBM66714 CSc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccccc1
BDBM66753 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,)|
BDBM66929 [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N[N-][CH+]c1ccsc1
BDBM66493 Fc1ccc(NC(=S)NCc2ccccc2Cl)cc1
BDBM66494 CCOC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc(C)cc1 |c:5|
BDBM66495 COc1ccc2nc(O)c(cc2c1)-c1nnn(n1)-c1ccccc1
BDBM66496 CN(C)C(=O)[C@@H]1C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
BDBM66567 Clc1nc(NCc2ccco2)nc(n1)N1CCCCC1
BDBM66676 COc1ccc(CNS(=O)(=O)c2ccccc2Br)cc1
BDBM66715 Clc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1
BDBM66716 CCOC(=O)C(Cc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O
BDBM66754 COc1cc2sc3ccc(cc3c(=O)c2cc1OC)C#Cc1ccc(N)cc1
BDBM66755 COc1ccccc1N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
BDBM66756 Brc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
BDBM66757 Cc1ccc(cc1)S(=O)(=O)n1ccc2c(OCCOCCNCc3ccc(F)cc3)cccc12
BDBM66791 CC1(C)C(Oc2ccc(O)cc12)N1CCOCC1
BDBM66793 Cc1ccc(NC2=c3ccccc3=NC2=O)cc1 |c:6,13|
BDBM66643 COc1cc(CN2CCc3ccccc3C2)ccc1O
BDBM66644 Cc1cc(Oc2ccc(=O)[nH]n2)nc(Cl)n1
BDBM66717 COc1ccccc1CC(=O)N1CCOCC1
BDBM66718 Cc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1
BDBM66719 O=C(Nc1cccnc1)\C=C\c1ccccc1
BDBM66720 Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccccc1F
BDBM66721 COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
BDBM66722 C[N+](C)(C)CCNC(=O)C1=C\C(=C/[NH+]=O)N(Cc2ccccc2)C=C1 |c:24,t:9|
BDBM66723 CCOC(=O)CN1C(=O)CC(C1=O)c1ccc(cc1)[N+]([O-])=O
BDBM66724 Cc1ccc(OCC(O)CN2CCN(CCO)CC2)c(C)c1
BDBM66725 CC1CN(CCC(=O)Nc2ccc(C)c(C)c2)CC(C)O1
BDBM66726 COc1ccc(cc1)C(=O)Nc1cccc2CCCCc12
BDBM66727 COc1cc(\C=C\[N+]([O-])=O)ccc1OC(=O)c1cccnc1
BDBM66728 CCN(CC)CCCNC(=S)N1CCC(CC1)c1nc2ccccc2[nH]1
BDBM66729 OC(CNCC1COc2ccccc2O1)COc1ccc(Cl)cc1
BDBM66730 CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(cc1)S(=O)(=O)NC1CC1
BDBM66731 Cc1ccc(Sc2c([N+]([O-])=O)c(=O)n(C)c3ccccc23)cc1
BDBM66732 COc1ccc(CCNC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1OC
BDBM66733 COc1ccc(NC(=O)CN2CCC(CC2)NC(=O)c2ccc(OC)cc2)cc1
BDBM66764 CC(C)CC(=O)c1c[nH]c(c1)C(=O)NCc1ccccc1
BDBM66794 ClC(C(=O)c1c[nH]c2ccccc12)c1ccccc1
BDBM66795 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,)|
BDBM66796 Cc1onc(c1C(=O)OCCOc1ccccc1C)-c1ccccc1
BDBM66843 COc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1
BDBM66497 Oc1c(Br)cc(NNC(=O)c2ccccc2)cc1Br
BDBM66498 CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)Nc3ccc(Cl)cc3)=c2c1 |c:33,t:6|
BDBM66499 COc1cc(\C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F
BDBM66500 CCc1cccc(c1)N(CC(=O)NCc1ccc(F)cc1)C(=O)c1csnn1
BDBM66501 NS(=O)(=O)c1ccc(N=NCc2cn(nc2-c2ccccc2)-c2ccccc2)c(c1)[N+]([O-])=O |w:8.7|
BDBM66502 CC(C)(C)C1C\C(=C\c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
BDBM66532 [#7]\[#6](-[#7])=[#7]\[#7+]=[#6]-[c-]1cccc(-[#7+](-[#8-])=O)c1=O |w:4.3|
BDBM66533 CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1OCC=C
BDBM66680 COc1ccc(cc1)C(O)Cc1nccn1C
BDBM66681 CCC(Sc1ncccc1Nc1ccccn1)C(O)=O
BDBM66682 Cn1c(SCc2ccccc2)nc(N)c(N=O)c1=O
BDBM66758 Fc1cccc(CN2CCSc3sccc3C2=O)c1
BDBM66759 Cn1cnnc1SCC(=O)Nc1ccc(F)cc1
BDBM66760 Oc1ccn(CC#C)c(=O)c1Cc1ccccc1
BDBM66797 CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1
BDBM66798 OC(=O)C(CCCCNS(=O)(=O)c1ccc(F)cc1)NS(=O)(=O)c1ccc(F)cc1
BDBM66799 CC(=O)Nc1ccc(c(CS(=O)(=O)c2ccc(C)cc2)c1[N+]([O-])=O)[N+]([O-])=O
BDBM66465 [O-][N+](=O)c1ccc(N2CCCC2)c(F)c1Br
BDBM66534 Cc1cccc(NC(=S)NCCc2ccc(F)cc2)c1C
BDBM66535 CC(C)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1
BDBM66536 COCc1cccc(NC(=O)CCc2ccccc2)c1
BDBM66537 [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|
BDBM66538 Cc1ccc2c(cc(nc2c1C)-c1cccnc1)C(=O)N1CCN(CC1)c1ccccc1
BDBM66539 CCN(CC)CCSc1nnc2c(n1)n(Cc1ccccc1)c1ccccc21
BDBM66540 Clc1ccc2nc(cc(C(=O)N3CCN(CCc4ccccc4)CC3)c2c1)-c1ccccn1
BDBM66541 COc1ccccc1CNC(=O)COc1ccc(cc1)[N+]([O-])=O
BDBM66621 Fc1ccc(cc1)C(=O)C1=NN[C@H]2[C@@H]1C(=O)N(Cc1ccccc1)C2=O |t:10|
BDBM66622 COc1ccc(cc1OC)C(=O)N\C(=C\c1cccs1)C(=O)NN
BDBM66623 CN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(n1N)C(F)(F)F
BDBM66651 Fc1ccc(SCC(=O)Nc2ccc(cc2)C2SCCS2)cc1
BDBM66652 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,)|
BDBM66683 NS(=O)(=O)c1ccc(nc1)S(=O)(=O)c1ccccc1
BDBM66684 COc1ccc(cc1)N1CCN(CC1)C1CCCN(Cc2cccc(c2)C(C)=O)C1
BDBM66685 OCCOCCNc1nc2ccccn2c(=O)c1\C=C1\SC(=S)N(Cc2ccco2)C1=O
BDBM66686 CN1C(=O)\C(=C2\C(=O)Nc3ccccc23)c2cc(C)ccc12
BDBM66761 CC1COc2ccccc2N1C(=O)c1ccc(Cl)cc1
BDBM66762 Cc1cccc[n+]1CC(=O)c1ccccc1
BDBM66763 Nc1cccc(Oc2cnccn2)c1
BDBM66800 COC(=O)C(Cc1ccccc1)OS(N)(=O)=O
BDBM66801 NC(=O)OCCCc1ccccc1
BDBM66844 [H][C@]12COc3ccc(Br)cc3[C@@]1([H])N1C(=O)N(C(=O)[C@@]1(C)[C@@H]2C(=O)OCC)c1ccc(Cl)cc1
BDBM66845 COc1ccccc1CCCNC(=O)C1CCC(=O)N(Cc2ccccc2F)C1
BDBM66846 Cc1cc(C)n(n1)-c1ccc(NC(=O)C2CCN(Cc3ccc(C)o3)CC2)cc1
BDBM66847 COc1ccc(cc1OC)S(=O)(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O
BDBM66848 CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCCC1
BDBM66466 Cc1ccc(cc1)C(=O)\C=C/C(=O)c1ccc(C)cc1
BDBM66467 [O-][N+](=O)c1ccccc1C(=O)N[N-][CH+]c1ccc(o1)N1CCCCC1
BDBM66468 CCc1cc2c(cc1OCC(=O)Nc1cccc(C)c1)oc(C)c(-c1cnn(c1)-c1ccccc1)c2=O
BDBM66469 COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(Cl)ccc1Cl
BDBM66687 COc1cc2CC(=O)NC(c3ccccc3Br)c2cc1OC
BDBM66688 COc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2CCO)c(F)c1
BDBM66689 COc1ccccc1CCNC(C)CCc1ccc(O)cc1
BDBM66690 CN(C)C(=O)c1sc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)nc1C
BDBM66691 [O-][N+](=O)c1ccc(CP(=O)(c2ccccc2)c2ccccc2)cc1
BDBM66765 Cc1cc2c(NC(=O)C22OCCO2)c(Br)c1
BDBM66766 COc1ccc(CC(=O)NCCN2CCOCC2)cc1
BDBM66767 CCN(C(=O)c1cn(C)c(=O)c2ccccc12)c1ccc(CC)cc1
BDBM66768 CCOCCCNC(=O)C1(O)N(C(=O)Nc2ccc(Br)cc12)c1ccc(CC)cc1
BDBM66769 CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=O)c1cccc(F)c1 |t:12|
BDBM66802 CC(C)(C)C#CC(CCc1ccccc1)OS(N)(=O)=O
BDBM66803 CC12CCCCC1NS(=O)(=O)OC2
BDBM66804 CCCCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1
BDBM66806 CC(N1CCN(CC1)C(=O)c1ccccc1)C(=O)N(C)c1ccccc1
BDBM66839 OC(=O)c1cccnc1SCC(=O)NC1CCCCC1
BDBM67002 Brc1ccc(cc1)C(=O)NCC(=O)NC1CC1
BDBM67003 [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
BDBM67004 Cc1ccc(cc1C(=O)NCc1ccccc1CN1CCCC1)S(=O)(=O)N1CCCC1
BDBM67005 Fc1cccc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccccc1)C1CC1
BDBM67006 Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
BDBM67007 COc1ccccc1C(=O)NCCC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1
BDBM67008 CC(C)(C)c1ccccc1OC(=O)C(=C)c1ccccc1
BDBM66470 CCN(CC)C(=O)Oc1ccc(Br)c2ccccc12
BDBM66471 CC(OC(=O)\C=C\c1cn(nc1-c1cccnc1)-c1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1
BDBM66472 Cc1cccc(C)c1NC(=S)Nc1ccccc1C(=O)NCc1ccco1
BDBM66473 Cc1nnc(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1
BDBM66474 CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCOC
BDBM66475 CC(C)C(OC(=O)c1cc2CCCCCc2s1)C(=O)NC(N)=O
BDBM66476 COc1ccc(OC)c(c1)N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1 |t:23|
BDBM66477 COc1ccc(OC)c(\C=C\C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c1
BDBM66478 Cc1c(cccc1[N+]([O-])=O)C(=O)NCCN1C(=O)S\C(=C/c2cccs2)C1=O
BDBM66479 COc1cc(OC)cc(c1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)Nc1ccc(C)cc1C
BDBM66503 C=CC[N+]1(CC=C)CCOCC1
BDBM66504 [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Br)cc1
BDBM66505 Clc1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
BDBM66578 NC(=O)CCSC(=S)N1CCOCC1
BDBM66579 CC(Oc1ccccc1)C(=O)N1CCN=C1SCc1ccccc1 |c:15|
BDBM66580 Cc1cc(ccc1F)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCc1ccco1
BDBM66581 NC(=S)NNC(=O)C(NC(=O)c1ccccc1)=Cc1ccc(Br)cc1 |w:17.18|
BDBM66650 CCCS(=O)(=O)CC(=N)NOC(=O)c1ccc(Cl)cc1
BDBM66805 FC(F)(F)c1ccc(Cl)c(NC2=NCCCCC2)c1 |t:11|
BDBM66807 COc1ccc(CCNCC(C)c2ccccc2)cc1
BDBM66850 Cn1c2ccccc2c2cnn(CC(=O)NCCCN3CCN(CC3)c3ccccc3F)c(=O)c12
BDBM66851 CN(C1CCCN(Cc2ccccc2F)C1)C(=O)CSc1ccncc1
BDBM66852 CN(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1c[nH]cn1
BDBM66853 Cc1cc(=O)n2nc(sc2n1)N1CCCC(C1)C(=O)NCCc1ccc(Cl)cc1
BDBM66854 Clc1ccc(cc1)N1CCN(CC1)C(=O)Cn1c2ncccc2n2cccc2c1=O
BDBM66855 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
BDBM66856 CCc1cccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2ccc3OCC(=O)Nc3c2)c1
BDBM66857 CN1C(=CC(=NS1(=O)=O)c1ccco1)C(=O)Nc1cccc(O)c1 |c:2,4|
BDBM66858 CCN(CC)C1CCN(C1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
BDBM66859 COc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
BDBM66860 CC(CC(=O)N1CCN(CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1
BDBM66861 CC1Cc2cc(ccc2N1C(=O)C1CC1)S(=O)(=O)CCC(=O)NCc1ccc(C)o1
BDBM66862 COc1cccc(CNC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCCCCC2)c1
BDBM66863 CC1CCN(CC1)c1ccc2nnc(CCC(=O)NCc3ccco3)n2n1
BDBM66864 O=C(COc1ccccc1)NN=Cc1cccc2cccnc12
BDBM66865 C=CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccn1
BDBM66866 COc1cccc(CN(CC(=O)NC2CCCC2)C(=O)c2csnn2)c1
BDBM66867 O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCc1ccccc1
BDBM66868 [O-][N+](=O)c1ccc(\C=C(/NC(=O)c2ccco2)C(=O)NCc2ccco2)cc1
BDBM66869 Oc1ccccc1C=NNC(=O)C1CN(C(=O)C1)c1ccc(F)cc1 |w:8.9|
BDBM66870 Cc1ccsc1\C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCCCN1CCOCC1
BDBM66871 COCc1cc(C)nc(SCC(=O)Nc2nc(C)cs2)c1C#N
BDBM66872 Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)N1CCN(CC1)c1ccccc1
BDBM66873 O=S(=O)(N1CCC(CC1)N1CCCCC1)c1ccc(cc1)C#N
BDBM66874 CC(C)(C)CC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
BDBM66875 CN1CCN(CCCNC(=O)c2ccc3c(Cl)c4CCCCc4nc3c2)CC1
BDBM66876 COc1ccccc1N1CCN(CC1)S(=O)(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1
BDBM66877 CN(C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O)c1cc(C)ccc1C
BDBM66878 COc1cc(cc(OC)c1OC)C(=O)Nc1cc2n(C)c(=O)n(C)c2cc1N1CCCCC1
BDBM66879 Clc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1
BDBM66880 COc1ccc(cc1OC)C1C(C(=O)c2ccc(C)o2)C(=O)C(=O)N1Cc1cccnc1
BDBM66881 COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCSc1ccccn1)c1ccccc1
BDBM66882 Fc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(s1)C1CCCCC1
BDBM66883 Fc1cccc(c1)N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1
BDBM66884 CSc1ccc(CCNC(=O)CCc2nnc3ccc(NCCCN4CCCC4=O)nn23)cc1
BDBM66885 O=C(NCCCN1CCCCC1)c1ccc2Sc3ccccc3C(=O)Nc2c1
BDBM66886 Cc1cc(C)cc(c1)N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
BDBM66887 CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1
BDBM66888 CCN(C(=O)c1ccc2c(c1)nc1CCCCCn1c2=O)c1ccccc1C
BDBM66889 Clc1cccc(CN2[C@@H](CC3CCCCC3)COCCS2(=O)=O)c1
BDBM66890 CSc1ccc(CNC(=O)Cn2nc(C)c3c(C)n(nc3c2=O)-c2ccc(C)cc2)cc1
BDBM66891 CCCN1CCN(CCCNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1
BDBM66956 CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1sc(C)nc1-c1ccc(F)cc1
BDBM66957 Cc1ccc(OC(=O)C2CCN(CC2)C(=O)c2ccccc2C)c(Br)c1
BDBM66958 CCOc1ccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1 |t:14|
BDBM66959 COc1ccc(C(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c(OC)c1
BDBM66960 CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CNC(=O)c1ccco1
BDBM66961 CC1CC(C)CN(C1)C(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
BDBM66962 Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)NCc2ccccc2)nc1
BDBM66963 CCOc1ccc(cc1)N1CC(CC1=O)C(=O)NNC(=O)c1ccc(Br)cc1
BDBM66964 CN(CC(=O)Nc1cc(C)ccc1C)C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F
BDBM66965 [H]C12CC(C)(CN1S(=O)(=O)c1cccc(c1)C(=O)NCCCOC)CC(C)(C)C2 |TLB:7:6:2:25.24.28|
BDBM66966 COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1
BDBM66967 CCc1cccc(CC)c1NC(=O)C1CSC2(C)CCC(=O)N12
BDBM66968 COc1ccccc1C(=O)NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1
BDBM66969 COc1ccccc1CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
BDBM66970 COC(=O)CCC(=O)c1ccc(OC)c(Cl)c1
BDBM66971 CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)CSCc1c(C)noc1C
BDBM67009 COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)C[C@@]3(CC4=NO)CCC12
BDBM67010 CCN(CC)CCCCNc1ncc2CN(C(=O)N(Cc3ccc(NC(=O)C=C)cc3)c2n1)c1c(Cl)c(OC)cc(OC)c1Cl
BDBM67011 FC(F)(F)c1cc(ccc1Cl)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)N1CCN(CC1)c1ncccc1C#N
BDBM66481 CCOc1ccccc1C(=O)N[C@@H](C(C)C)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O
BDBM66482 Brc1ccc(C=CC(=O)c2ccc(cc2)N=C2NCCCS2)cc1 |w:15.15,6.6|
BDBM66483 COC(=O)Cc1csc(N=Cc2c(O)n(-c3cccc(c3)C(F)(F)F)c(=O)c3ccccc23)n1 |w:9.8|
BDBM66484 [O-][N+](=O)c1ccccc1CC(=O)OCC(=O)NCc1ccc(Cl)cc1
BDBM66485 COc1ccc(cc1)S(=O)(=O)N1CC(O)CC1C(=O)OCc1nc2sc(C)c(C)c2c(=O)[nH]1
BDBM66486 COc1ccc(cc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1
BDBM66506 Cc1ccc(C#N)c(SCC(=O)Nc2nccs2)n1
BDBM66507 CCOC(=O)C=c1sc(=Cc2ccc(cc2)C#N)c(=O)n1CC(=O)Nc1cccc(C)c1C
BDBM66508 CCOC(=O)C=c1sc(=Cc2ccc(cc2)C(=O)OC)c(=O)n1CC(=O)Nc1ccccc1
BDBM66509 CCOC(=O)COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM66510 COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2cccs2)c(O)c1
BDBM66511 OC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
BDBM66512 Cc1cc(C)cc(c1)N=Cc1c(O)c2ccccc2oc1=O |w:8.8|
BDBM66513 CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccn1
BDBM66542 CC(C)CC(=O)Nc1ccc2OCOc2c1
BDBM66543 S=C(Nc1ccccc1)N1N=C(CC1c1cccs1)c1cccs1 |c:11|
BDBM66653 [#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6](\C#N)=[#6](/[#16]-[#6])-[#16]-[#6]
BDBM66654 CN(C)C(=O)c1ccc(OCC(F)(F)F)nc1
BDBM66770 CCCc1nc2cc3n(C)c(=O)n(C)c3cc2[nH]1
BDBM66771 CC(C)C[C@H](NC(=O)COc1cc2OC(C)(C)CCc2c2oc(=O)cc(C)c12)C(O)=O
BDBM66772 COC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
BDBM66773 OC(=O)COc1ccccc1\C=C1/C(=O)Nc2ccc(Br)cc12
BDBM66808 CCCn1c(SCC(=O)NC)nc2sc3CCCc3c2c1=O
BDBM66809 CCCn1c(SCC(=O)NCC=C)nc2sc3CCCc3c2c1=O
BDBM66810 CCOC(=O)C(=C/c1ccc(OC)c(OC)c1)\C(=O)c1cccnc1
BDBM66892 [H]C12CN(CC([H])(C1)c1cccc(=O)n1C2)c1ccc(cc1NC(=O)Nc1cccc(OC)c1)C(=O)NCCCOCC |TLB:9:8:7:3.2.4|
BDBM66893 COc1ccc(cc1)-n1ncc2C(CC(C)(C)Cc12)NC(=O)Cc1nonc1C
BDBM66894 COc1cc(CN2CCNC(=O)C2CC(=O)N(C)CCCN2CCOCC2)cc(OC)c1
BDBM66895 CCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
BDBM66896 CC(C)CN(C(=O)C1CSC2(C)CCC(=O)N12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
BDBM66897 Brc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCC1CCCO1
BDBM66898 Clc1ccc(C=NNC(=O)c2ccc3nc[nH]c3c2)c(Cl)c1 |w:6.6|
BDBM66899 CCc1cc(sc1C)C(=O)OCC(=O)N1CCC(=N1)c1ccccc1 |c:18|
BDBM66900 CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccccc1OCc1ccc(F)cc1
BDBM66901 COC(=O)c1ccc(CNC(=O)C2CCC(=O)N(CCc3ccccc3)C2)cc1
BDBM66902 COc1ccc(cc1OC)-c1nc(CN2CCN(CC2)C(=O)c2ccco2)c(C)o1
BDBM66903 COc1cc(CN2CCCC(C2)C(=O)Nc2ccccc2Oc2cccnc2)ccc1F
BDBM66904 COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(cc2)[N+]([O-])=O)c1
BDBM66905 CC(C)c1nnc(NC(=O)COC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)s1
BDBM66906 Cc1ccc(Sc2ncccc2C(=O)NCc2cc(ccc2O)[N+]([O-])=O)cc1C
BDBM66907 CC(NC(=O)c1cc(F)c(F)c(F)c1F)c1ccc(cc1)-n1ccnc1
BDBM66908 CSCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCc1c[nH]c2ccccc12
BDBM66909 COc1ccc(CCNC(=O)CCOc2ccc(C)cc2)cc1OC
BDBM66910 Cc1ccc(NC(=O)CSc2nc3ccc(Nc4nc(nc(n4)N4CCOCC4)N4CCOCC4)cc3s2)cc1
BDBM66911 COC(=O)c1c(NC(=O)C2CC(C)=C(C)CC2C(O)=O)sc2CCCCCc12 |t:12|
BDBM66912 O=C(C(Cc1ccccc1)NC(=O)c1ccccc1)N1CCCCCC1
BDBM66913 CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc21)C(=O)NCc1ccccc1
BDBM66914 CCCc1cc(=O)oc2cc(C)cc(OCC(=O)Nc3ccc(cc3)S(N)(=O)=O)c12
BDBM66915 COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)N[C@@H](C)C(=O)NCc1ccncc1
BDBM66916 CN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCCC1
BDBM66917 COc1ccc(cc1)N1CC(CC1=O)C(=O)N[C@@H](C(C)C)C(=O)NC(C)c1ccccc1
BDBM66918 [O-][N+](=O)c1cccc(NC(=O)Nc2ccc3CCCc3c2)c1
BDBM66919 CC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccco1 |w:2.2|
BDBM66920 Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1
BDBM66921 CC1Cc2cc(ccc2O1)C(=O)C1C(N(Cc2cccnc2)C(=O)C1=O)c1cccc(O)c1
BDBM66922 CCN1CCN(CC1)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
BDBM66972 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,)|
BDBM66973 Fc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccccc1N1CCCC1
BDBM67012 Fc1ccc(c(OCc2ccccc2)c1)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC[C@H]1CCCO1
BDBM67013 COc1ccc(OC[C@@H](O)CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)-c2ccc(F)cc2OCc2ccccc2)cc1
BDBM67014 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NC[C@@H]1CCCO1
BDBM67015 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCCOc1ccccc1
BDBM67016 COc1ccc(NC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)-c2ccc(F)cc2OCc2ccccc2)cc1
BDBM66514 Brc1ccc(NC(=O)c2cccc3C(=O)c4ccccc4-c23)nc1
BDBM66515 CCOCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cccs1
BDBM66516 O=C(N1CCCN(Cc2nc(no2)-c2ccc3OCOc3c2)CC1)c1ccco1
BDBM66544 CC(=O)c1ccc(cc1)N(C(C(=O)NC(C)(C)C)c1cccs1)C(=O)c1csnn1
BDBM66545 FC(F)(F)c1cccc(Cc2noc(CN3CCCC(C3)OCc3ccccn3)n2)c1
BDBM66547 C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1
BDBM66582 CCOC(=O)C1=NOC(COc2ccccc2C=O)C1 |t:5|
BDBM66583 COC(=O)C1CSC(N1C(=O)c1ccccc1)c1ccc(Cl)cc1
BDBM66584 CN(C)\C=N\C(=O)c1cc(c[nH]1)C(=O)c1ccc(Cl)cc1Cl
BDBM66655 Cc1ccc(cc1)C(=O)Nc1ccc(nc1N1CCOCC1)N1CCOCC1
BDBM66656 Cc1ccc(CNC(=O)c2ccc3c(c2)nc2scc(-c4ccc(C)cc4)n2c3=O)cc1
BDBM66658 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)NNC(=O)c1ccc(Cl)cc1
BDBM66659 Cc1cc(no1)-c1onc(C)c1C(=O)Nc1ccc(cc1)C(F)(F)F
BDBM66660 CCOC(=O)c1cc(on1)C(C)=NOC(=O)c1ccc(cc1)C(C)(C)C
BDBM66661 COc1c(Br)cc(c(OC)c1C(=O)NC(=O)Nc1nc(C)cc(C)n1)[N+]([O-])=O
BDBM66692 Cc1ccc2[nH]c3C(CCCc3c2c1)NC(=O)CCl
BDBM66693 COc1cc2c(c(C)oc2cc1C=NNC(N)=S)-c1ccccc1 |w:13.15|
BDBM66694 CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(OC(F)F)cc1
BDBM66774 COC(=O)C(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
BDBM66811 Brc1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1
BDBM66812 COC(=O)c1cc(CNC(=O)CC(C)c2ccccc2)ccc1OC
BDBM66813 Cc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(O)=O
BDBM66974 Clc1cccc(\C=C\C(=O)OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1Cl
BDBM66975 [H][C@]12COc3cc(OC)ccc3[C@]1([H])N1C(=O)c3ccc(C)cc3NC(=O)[C@@]1(C)[C@H]2C(=O)OCC
BDBM66518 Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C
BDBM66519 Clc1cccc(c1)N1C(=O)NC(=Cc2ccc(o2)N2CCOCC2)C1=O |w:12.13|
BDBM66520 FC(F)(F)c1ccc(C=NNC(=O)CCNc2n[nH]c(=O)[nH]c2=O)cc1 |w:9.9|
BDBM66521 CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O
BDBM66546 Cc1cc(C)c(cc1Br)S(=O)(=O)N1CCCCCC1
BDBM66548 Cc1cccc(c1)-n1c(Cc2ccccc2)n[nH]c1=S
BDBM66549 CC(=O)c1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1
BDBM66585 FC(F)(F)C(=O)\C=C\N1CCN(Cc2ccccc2)CC1
BDBM66586 COc1cccc(c1)-c1cc(c(C#N)c(=O)[nH]1)C(F)(F)F
BDBM66587 CNC(=O)Nc1ccc(Cn2cc(ccc2=O)C(F)(F)F)cc1
BDBM66624 CNC(=S)NC1(C)CCS(=O)(=O)C1
BDBM66625 Cc1cc(C)n(CCC(=O)N\N=C\c2ccc(Cl)c(c2)[N+]([O-])=O)n1
BDBM66626 CC(=O)OCCn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O
BDBM66627 CCCOC(=O)Nc1ccc(cc1NC(=O)OCCC)[As](O)(O)=O
BDBM66657 Cc1[nH]c(=S)c(C#N)c(C)c1Cc1ccc(Cl)cc1Cl
BDBM66695 CCOc1ccc(CNC2CCCCCCC2)cc1OC
BDBM66696 OCc1ccc(OCCCOc2cccc3cccnc23)cc1
BDBM66697 Cc1cccc(NC(=S)NC2CCCC2)c1C
BDBM66698 COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccc(Br)cc1
BDBM66734 Nc1cn(C2OC(CO)C(O)C2O)c(=O)[nH]c1=O
BDBM66735 Cc1ccccc1NC1=NC(=O)C(CO)(CO)S1 |t:9|
BDBM66775 CN1CCc2[nH]c3c(C)cccc3c2C1
BDBM66776 Cc1ccc(NC2=c3c(Br)c(C)ccc3=NC2=O)cc1 |c:6,15|
BDBM66777 CC(C)CN(CC(C)C)C(=O)c1cc2c(nc3ccccn3c2=O)s1
BDBM66778 Cc1ccc(cc1)C(O)(CCN1CCCCC1)c1ccccc1
BDBM66779 COc1ccc(OC)c(NC(=O)c2cc(n[nH]2)-c2cc(C)ccc2O)c1
BDBM66780 COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1
BDBM66781 CCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12
BDBM66814 CN(C)S(=O)(=O)c1cccc(c1)C(=O)Nc1nnc([nH]1)C(F)(F)F
BDBM66815 FC(F)Oc1ccccc1C(=O)NC1CCCc2ccccc12
BDBM66816 COc1ccc(cc1C(=O)OCCCOc1ccc(F)cc1)S(N)(=O)=O
BDBM66849 CSc1cccc(NS(=O)(=O)c2cn(C)cn2)c1
BDBM66976 N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
BDBM66977 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|
BDBM66978 CN(C)C\C=C(/c1ccc(Br)cc1)c1cccnc1
BDBM66979 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
BDBM66980 CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2OP([O-])(=O)OC[C@H]2[C@H]1OC(=O)CCC
BDBM66981 OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O
BDBM66982 CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(O)=O
BDBM67017 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|
BDBM67018 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|
BDBM67019 COc1ccc(cc1OC)-c1ccc2C(=O)c3c(cccc3S(=O)(=O)c2c1)C(=O)NCc1cccc(OC(F)(F)F)c1
BDBM66550 CC(C)Oc1ccccc1C(=O)NC(CO)C(O)=O
BDBM66551 O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)c1ccccc1
BDBM66588 COC(=O)C1SCC2N1C(=O)CN(Cc1ccc(Cl)cc1)C2=O
BDBM66589 CON=C\C(=C\c1cc(cn1C)C(=O)c1ccccc1)C#N
BDBM66590 O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1
BDBM66591 CC(C)[C@H]1CN=C2N(CCNC(=O)CCC3CCCCC3)[C@H](Cc3ccc(O)cc3)CN12 |t:5|
BDBM66592 OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N2CCN(Cc3ccccc3)CC2)c2coc3ccccc3c2=O)cc1 |c:11|
BDBM66593 CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nc2ccccc2n1CC
BDBM66628 CCCCCC(=O)N1CCCC1
BDBM66629 Cc1cc(=O)oc2cc(OCCC[n+]3ccccc3)ccc12
BDBM66630 ClCCCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1
BDBM66631 CCC(=O)NC(N)=Nc1nc(C)c2cc(C)c(C)cc2n1 |w:7.7|
BDBM66632 [O-][N+](=O)c1cccc(\C=N\NC(=O)C2CCCNC2=O)c1
BDBM66633 Cc1ccc(OP(=O)(Nc2ccc(cn2)[N+]([O-])=O)Oc2ccc(C)cc2)cc1
BDBM66634 NC(=S)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
BDBM66635 CSc1nc(N)c(N=Nc2ccc(cc2)[As](O)(O)=O)c(=O)[nH]1 |w:8.8|
BDBM66636 [#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
BDBM66699 COc1ccc(cc1)S(=O)(=O)N1CCCCC1C
BDBM66700 Fc1ccccc1N1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)c1ccccc1
BDBM66701 CC(c1ccccc1)n1c(CCCO)nc2ccccc12
BDBM66736 CCOc1ccccc1\C=C\c1nc2ccccc2[nH]c1=O
BDBM66737 COc1cc2c3CCNC(=O)c3[nH]c2cc1F
BDBM66738 Cc1c(CCCC(O)=O)sc(N)c1C(=O)c1cccc(c1)C(F)(F)F
BDBM66817 BrCC(=O)Nc1c2CSCc2nn1-c1ccccc1
BDBM66818 OC(=O)CCN1CCc2ccccc2C1c1ccncc1
BDBM66819 CC1CCCN(C1)C(=O)CN1C(=O)C(C)Oc2ccccc12
BDBM66820 Brc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
BDBM67020 Cc1ccc(cc1)S(=O)(=O)n1cc(-c2ccccc2)c2ccccc12
BDBM66480 Cc1cc(C)cc(Cn2ncc(Cl)c(Cl)c2=O)c1
BDBM66552 CC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C
BDBM66553 Cc1occc1-c1nnc(o1)-c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
BDBM66554 Clc1ccc(\C=C\C(=O)NC2=NCCS2)cc1Cl |t:10|
BDBM66662 Nc1ccccc1SC(C[N+]([O-])=O)c1ccccc1
BDBM66663 COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(F)cc1Br
BDBM66702 CCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccccc1OC
BDBM66703 CSc1ccc(cc1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
BDBM66704 Cc1ccc(cc1)N1CCN(CC1)C(=S)Nc1ccccc1C
BDBM66705 COc1ccc(NC(=O)C(=O)NN=Cc2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1
BDBM66706 Brc1ccccc1NC(=O)C(=O)NN=Cc1ccc(CNC(=O)C(=O)Nc2ccccc2)o1
BDBM66739 O=C(NCc1cccnc1)[C@@H]1CC=C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@H]12 |c:13|
BDBM66740 CCCCn1c(nc2n(C)c(=O)[nH]c(=O)c12)N1CCCC1
BDBM66741 COc1ccc(CNCc2ccc(cc2)[N+]([O-])=O)cc1OC
BDBM66783 COCCNC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccnc1
BDBM66784 COc1cc2CCC(NC(C)=O)c3cc(=O)c(O)ccc3-c2c(OC)c1OC
BDBM66785 COC(=O)C(C)Oc1cc(OC(C)C(=O)OC)c2c(cc(=O)oc2c1)-c1ccccc1
BDBM66786 Clc1ccc(cc1)C(=O)Nc1ccccc1N1CCCCC1
BDBM66787 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|
BDBM66788 Cc1c(sc2ccccc12)C(=O)c1ccccc1C(O)=O
BDBM66789 Cc1c(C)c(C)c(C(=O)CCc2cccc(NC(=O)CCC(O)=O)c2)c(C)c1C
BDBM66790 COc1ccc(-c2csc(NC(=O)Cc3ccccc3F)n2)c(OC)c1
BDBM66821 COc1ccc(CNC(=O)Cc2cccs2)cc1OC
BDBM66822 OCCNC(=O)C(=O)Nc1cc2CCN3c2c(CCC3=O)c1
BDBM66923 Cc1ccc(NC(=O)CSc2nc3nc(C)c(Br)cc3[nH]2)cc1F
BDBM66949 [O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1ccc(Cl)cc1
BDBM66983 CN1CCc2cccc(Cl)c2CC1
BDBM66984 CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC2CCCCC12
BDBM66985 Cc1ccc(C)c(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
BDBM66986 CC(C)N(C(C)C)C(=O)CSc1ccc(cn1)S(=O)(=O)N1CCCCC1
BDBM66987 CC(Sc1nc(C)c(C)c(C)c1C#N)C(=O)NC1(CCCCC1)C#N
BDBM66988 Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1F
BDBM66989 CCN(CC(=O)Nc1c(F)cccc1F)C(=O)\C=C\c1ccc(C)cc1
BDBM66990 CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1c(C)onc1CC
BDBM67021 CC(C)(C)OC(=O)n1cc(CCO)c2ccccc12
BDBM67022 Cc1ccccc1[C@]1(C)ON(C1=O)c1ccccc1C(F)(F)F
BDBM67023 [O-][N+](=O)c1cccc(CC(=O)Nc2cccc(c2)C(=O)N2CCOCC2)c1
BDBM66517 CCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O
BDBM66555 CCN(CC)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12
BDBM66556 Cc1ccc(Cl)cc1NC(=O)CC1NC2CCCCC2NC1=O
BDBM66557 CCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
BDBM66594 CC(C)CC(NC(N)=O)C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1
BDBM66595 CN(C)CC(=O)Nc1cc(C)c(C)cc1[N+]([O-])=O
BDBM66596 CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N(C)C
BDBM66664 Cc1cc(C)c2c(N)c(sc2n1)-c1nnc(SCc2ccc(F)cc2)n1CC=C
BDBM66665 CCOc1nc-2c(Cc3ccccc-23)c(-c2cccs2)c1C#N
BDBM66742 COC(=O)C[C@@H]1N(c2cccc(OC)c2)S(=O)(=O)c2ccccc12
BDBM66743 CCOC(=O)C[C@@H]1N(Cc2cccc(c2)C(F)(F)F)S(=O)(=O)c2ccccc12
BDBM66782 CN1CCN(CCNC(=O)Nc2ccc(Cl)cc2)CC1
BDBM66823 NS(=O)(=O)c1ccc(NC(=O)c2ccc3CCCCc3c2)cc1
BDBM66824 COc1ccc(nn1)-c1ccc(NS(=O)(=O)c2cc(c(C)c(c2)[N+]([O-])=O)[N+]([O-])=O)cc1
BDBM66825 NC(=O)c1ccc[n+](CC(=O)NCc2ccc(Cl)cc2)c1
BDBM66826 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,)|
BDBM66827 CN1C(=O)[C@H]2[C@@H](C3CC3)N3C(=O)CN(Cc4ccc(cc4)-c4ccccc4)C(=O)[C@@]3(C)[C@H]2C1=O
BDBM66828 CCCn1cc(c(=O)c2cc(OC)c(OC)cc12)S(=O)(=O)c1ccc(C)cc1
BDBM66829 Cc1cc(on1)C(=O)N1CCN(CC1)c1ccc(F)cc1
BDBM66830 COc1cc(NC(=O)c2nn(C)c-3c2CS(=O)(=O)c2ccccc-32)cc(OC)c1
BDBM66831 COc1ccc(cc1OC)C(=O)NCc1nnc(SCC(=O)NCc2ccco2)o1
BDBM66832 Fc1ccc(CNC(=O)CCC2N=C3N(C2=O)C(SCC(=O)NCC2CCCO2)=Nc2ccccc32)cc1 |c:12,30|
BDBM66833 Cc1nnc2nc(SCC(=O)NCCC3=CCCCC3)n(c(N)c12)-c1ccc(Br)cc1 |t:14|
BDBM66834 Cc1n(nc2c1c(C)nn(CC(=O)NCCC1=CCCCC1)c2=O)-c1ccc(C)cc1 |t:17|
BDBM66835 CCOc1ccccc1CNC(=O)Cn1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1
BDBM66836 CC(C(=O)NCc1ccccc1Cl)n1nc(C)c2c(C)n(nc2c1=O)-c1ccc(C)cc1
BDBM66837 Cc1ccc(CCNC(=O)c2cc(nc3ccc(cc23)S(=O)(=O)N2CCOCC2)-c2ccncc2)cc1
BDBM66838 O=C(CCCCCn1c(=S)[nH]c2ccsc2c1=O)NC1CCCCC1
BDBM66925 CC(NC(=O)c1cccc(OC2CCN(CC2)C2CCN(C)CC2)c1)c1ccccc1
BDBM66926 COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cn(C)c3ccccc23)CC1
BDBM66927 Oc1cc2OCOc2cc1CN1CCN(CC1)c1ncccn1
BDBM66928 CCCc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccc(CN4CCOCC4)cc3)ccc12
BDBM84436 CCN1CCN(CC(=O)Nc2cc(F)ccc2C)CC1
BDBM50013786 Cc1nccc2c3ccccc3[nH]c12
BDBM50042944 Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1
BDBM50063753 Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(I)cc(I)c1O
BDBM50090505 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
BDBM50118807 Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50150484 CCCCCCCC\C=C/CCCCCCCC(O)=O
BDBM50161825 OC(=O)C(=C/c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O)\c1ccccc1
BDBM50177114 COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC
BDBM50215899 CCCCCCCC\C=C/CCCCCCCC(=O)NCCc1ccc(O)c(O)c1
BDBM50241243 OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50241422 CC(=O)OC(C)(C)\C=C\C(=O)[C@@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |r,c:22|
BDBM50300340 O=C1C=CC(=O)N1c1cccc(c1)-c1ccccc1 |c:2|
BDBM50308501 CCOC(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1
BDBM50322732 Cc1cc(NC(=O)COC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)no1