522 SMILES Strings for Caspase-9
Compound Name
SMILES String
Brc1ccc(NS(=O)(=O)c2cccc(c2)C(=O)NCC(N2CCCC2)c2ccco2)cc1
Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccccc3)n2n1
Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
C1CC2(CCC11Nc3cccc4cccc(N1)c34)Nc1cccc3cccc(N2)c13
C1CCC(CC1)n1nnnc1C(N1CCc2ccccc2C1)c1ccccn1
C1CCCC(CC1)Nc1ccc2cn[nH]c2c1
C1CCCC2(CC1)Nc1cccc3cccc(N2)c13
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)C(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)COc2ccc(Cl)cc2)C(N)=O)C1 |t:13|
CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13|
CC(=C)Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:3|
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
CC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)c1ccccc1 |c:4|
CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(O)=O |c:4|
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
CC(=O)N(Cc1ccc(F)cc1)c1c(O)c2ccccc2c(O)c1N=CCc1ccccc1 |w:24.26|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1 |w:4.3|
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3|
CC(=O)Nc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:12.12,t:9|
CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(CC2)c2ccc(F)cc2)C(=O)c2ccccc2C1=O |c:15|
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(C(O)=O)c(O)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)[N-]C1=C(C(=O)c2ccccc2C1=O)n1cc[n+](c1)-c1ccccn1 |t:15|
CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
CC(=O)c1cccc(c1)-c1ccc2c(cc(Nc3ccccc3)[nH]c2=O)c1
CC(C(C)n1nc(C)cc1C)C(O)=O
CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
CC(C(O)=O)c1ccc(s1)C(=O)c1ccccc1
CC(C(O)=O)c1cccc(c1)C(=O)c1ccccc1
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
CC(C)(C)OC(=O)C[C@H](N)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)(C)OC(=O)C[C@H](N)\C=C\S(C)(=O)=O |r|
CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)(C)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:39.41|
CC(C)(C)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:16|
CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
CC(C)CCC(C)NC=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc12 |w:8.7|
CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:11|
CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
CC(C)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
CC(C)C[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C=O
CC(C)Cc1ccc(cc1)C(C)C(O)=O
CC(C)N(C(C)C)C(=O)Nc1ccc2nsnc2c1
CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r,w:7.7|
CC(C)[C@H](NC(=O)C(Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r,w:7.7|
CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(O)=O)C(=O)CF
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(O)=O)C(=O)CF |w:27.28|
CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)c1ccccc1)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)C(C)C |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)\C=C\S(=O)(=O)N1CCOCC1 |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)Oc1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccc2ccccc2n1)NS(=O)(=O)c1ccc(C)cc1)C(=O)N[C@@H](CC(O)=O)\C=C(/Cl)S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(C)(=O)=O |r|
CC(C)[C@H](NC(=O)[C@H](Cc1ccccn1)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)\C=C\S(=O)(=O)c1ccccc1 |r|
CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)CF
CC(C)[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|
CC(C)c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)cc1 |w:9.9|
CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc12
CC(CN1CCCC1)C(O)=O
CC(CN1CCCCC1)C(O)=O
CC(CN1CCOCC1)C(O)=O
CC(CNC(C)c1ccccc1)C(O)=O
CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
CC(Cc1c[nH]c2ccccc12)C(O)=O
CC(Cn1c(C)nc2ccccc12)C(O)=O
CC(Cn1cccn1)C(O)=O
CC(Cn1cnc2ccccc12)C(O)=O
CC(Cn1nc(C)c(Br)c1C)C(O)=O
CC(Cn1nc(C)c(C)c1C)C(O)=O
CC(Cn1nnc2ccccc12)C(O)=O
CC(NS(=O)(=O)c1cc(ccc1C)-c1nn2c(C)nnc2c2ccccc12)c1ccccc1
CC1(C)CNc2cc(N)ccc2S1
CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
CC1(C)Cc2ccccc2C2=NNC(=O)C2=N1 |c:17,t:11|
CC1(C)N([O-])c2cc(ccc2[N+]1=O)[N+]([O-])=O
CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:1|
CC1CC2(CCCCC2)N2C(=O)C(=O)c3cccc1c23
CC1CCN(CC1)S(=O)(=O)c1ccc2SC(C)CN3C(=O)Cc1c23
CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
CCC(=O)N(C(C)C)c1c(O)c2ccccc2c(O)c1N=C
CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC
CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
CCC(CN(C)C)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|
CCCCCCCCCCCCCCCC[N+](C)(C)C
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C(N)=O
CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC
CCCCCCCCCCCCCCCCn1cc[n+](C)c1
CCCCCCCCCCCCOCn1c[n+](C)c2ccccc12
CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
CCCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc12
CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:11|
CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
CCCCCc1ccc(OCCCC[n+]2cccc(C)c2)c(CCCCC)c1
CCCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
CCCCNC1=CC(=O)C(=O)c2ccccc12 |t:5|
CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
CCCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:10|
CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:10|
CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
CCCN(CC(=O)Nc1ccccc1OC)C(=O)CSc1ccc(Br)cc1C
CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCCC1
CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26|
CCCc1cc(=O)oc2c3[C@@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |r,c:20|
CCN(CC)CCC=Nc1c(Cl)c(O)c2ccccc2c1O |w:8.8|
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|
CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|
CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)cc2C#N)c1
CCN(c1ccccc1)c1cc2ccccc2c(=O)[nH]1
CCN1C(=O)c2cccc3c(N)ccc1c23
CCN1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:9|
CCN1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9|
CCN1\C(Sc2cc(C)c(C)cc12)=C\c1ccc2cc(C)ccc2[n+]1CC
CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
CCN1\C(Sc2ccccc12)=C\C=C\c1sc2ccccc2[n+]1CC
CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O |c:5|
CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|
CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|
CCOC(=O)C1CCCN(C1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:12|
CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12
CCOC(=O)N1CCN(CC1)c1cc(NCCC(O)=O)c2C(=O)c3ccccc3-c3onc1c23
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
CCOC(=O)\C=C\[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C |r|
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C(C(C)=O)C(O)=O)c(Br)c(O)c(O)c12
CCOC(=O)c1c(C)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
CCOC(=O)c1c(C)oc2c1c(C=NCCC(O)=O)c(O)c1ccccc21 |w:13.14|
CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(N=NC(N)=O)c3ccc(Br)cc3c12 |w:17.16|
CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12
CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|
CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
CCOC(=O)c1cnn(c1N)-c1c(Cc2ccccc2)c(C)nc2c(c(C)nn12)-c1ccccc1 |(11.08,8.19,;11.7,6.79,;10.8,5.54,;11.42,4.13,;12.96,3.97,;10.52,2.89,;8.98,2.89,;8.5,1.42,;9.75,.52,;10.99,1.42,;12.46,.95,;9.75,-1.02,;8.41,-1.79,;7.08,-1.02,;5.75,-1.79,;4.41,-1.02,;3.08,-1.79,;3.08,-3.33,;4.41,-4.1,;5.75,-3.33,;8.41,-3.33,;7.08,-4.1,;9.75,-4.1,;11.08,-3.33,;12.54,-3.8,;13.44,-2.56,;14.98,-2.56,;12.54,-1.32,;11.08,-1.79,;13.02,-5.27,;11.99,-6.41,;12.47,-7.88,;13.97,-8.19,;15,-7.05,;14.52,-5.58,)|
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12
CCO\C=C1\C(=O)N(C)C(=O)c2cc(OC)ccc12
CCOc1c(O)ccc(C=C2SC(S)=NC2=O)c1[N+]([O-])=O |w:9.8,c:13|
CCOc1cc(CNc2ccc3cn[nH]c3c2)ccc1OC
CCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C
CCOc1ccc2nc(NC3=NC(CC(=O)N3)c3ccc(OC)cc3)nc(C)c2c1 |t:10|
CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1
CCOc1ccccc1N1CCN(CC1)C(=O)C1c2ccccc2Oc2ccccc12
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
CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F
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
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
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
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:41.42|
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51|
CCc1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
CCc1ccc(CNc2ccc(O)cc2)cc1
CCc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
CCc1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:7|
CCc1ccc(OCC(=O)NN=C2CC(=O)c3ccccc23)cc1
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
CCc1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
CCc1ccccc1NC(=O)N1C[C@@H](C)Oc2cc(ccc12)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:28.31,13.14,wD:31.35,(3.45,-11.77,;3.48,-13.31,;4.83,-14.05,;4.86,-15.59,;6.21,-16.33,;7.53,-15.52,;7.49,-13.98,;6.14,-13.26,;6.11,-11.72,;7.42,-10.91,;8.77,-11.65,;7.38,-9.37,;6.03,-8.64,;6,-7.1,;4.65,-6.36,;7.32,-6.29,;8.67,-7.04,;9.98,-6.23,;11.33,-6.98,;11.37,-8.52,;10.06,-9.31,;8.7,-8.58,;12.65,-6.17,;14,-6.92,;15.31,-6.11,;15.27,-4.57,;13.92,-3.84,;12.61,-4.63,;16.59,-3.78,;16.55,-2.23,;17.87,-1.43,;19.22,-2.18,;20.53,-1.37,;21.88,-2.1,;23.19,-1.3,;21.92,-3.64,;19.26,-3.72,;17.94,-4.51,)|
CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O
CN(C)C=Nc1ccc2nc3c(cc2c1)[nH]c1ccccc31 |w:4.4|
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
CN(C)CCCNc1cc(O)c2ncccc2c1
CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1
CN(C)c1cc(Cl)c2nonc2c1N
CN(C)c1cc(N=NCc2ccccc2)nc(n1)N(C)C |w:6.5|
CN(C)c1cc(N=NCc2ccccc2C(F)(F)F)nc(n1)N(C)C |w:6.5|
CN(C)c1ccc2cc3ccc(cc3oc2c1)=[N+](C)C |(.8,6.99,;2.08,7.73,;2.08,9.21,;3.36,6.98,;3.36,5.44,;4.7,4.68,;6.02,5.47,;7.3,4.73,;8.58,5.47,;9.9,4.68,;11.24,5.44,;11.24,6.98,;9.9,7.74,;8.58,6.95,;7.3,7.69,;6.02,6.95,;4.7,7.74,;12.52,7.73,;13.8,6.99,;12.51,9.21,)|
CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1
CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
CN(C1CCS(=O)(=O)C1)C1=C(NC(C)=O)C(=O)c2ccccc2C1=O |c:10|
CN(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)C(=O)CC1Sc2ccccc2NC1=O
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
CN1C(=O)C(=O)c2cc(ccc12)N(=O)=O
CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(=O)c2ccccc2C1=O |c:8|
CN1CCN(CC1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8|
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2ccc(Br)cc2)cc1
CN1CCc2cc3OCOc3c3-c4ccccc4CC1c23
CN1Cc2c(CC1(C)C)c1c(N)c(sc1nc2N1CCOCC1)C(=O)c1ccc(Br)cc1
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12 |r|
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|
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H](Oc2ccccc2)[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C |r|
COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
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|
COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(C=C2C1=O)C1CCCC1)c1ccc(OC)cc1 |c:16,19,t:14|
COC(=O)CCC(=O)OC1(C)C(=O)C(Br)=C2C=C(N(CC3CC3)C=C2C1=O)c1ccc(OC)cc1 |c:16,24,t:14|
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|
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|
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CC=C)C=C2C1=O |c:25,t:13,15|
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCCO)C=C2C1=O |c:27,t:13,15|
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCOC(C)C)C=C2C1=O |c:29,t:13,15|
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C1=O |c:31,t:13,15|
COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C)C)\C=C\S(C)(=O)=O |r|
COC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)OC)NC(=O)OCc1ccccc1)c1ccccc1)C(C)C)\C=C\S(C)(=O)=O |r|
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](OC(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C)C(C)C)C(C)C)[C@@H](C)O |r|
COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1 |c:10|
COC(=O)c1ccc(cc1)-c1ccc(o1)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:14.15,t:12|
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|
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,)|
COC(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
COCCCNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23
COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12
COCCN1C=C2C(=CC(=O)C(C)(OC(=O)CCC(=O)OC)C2=O)C=C1C1CC1 |c:5,7,25|
COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5|
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1 |r|
COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc23)cc1Cl |t:9|
COc1cc(OC)c(cc1Cl)C1=NOC(C1)C(O)=O |t:12|
COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
COc1cc(cc(OC)c1OC)C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1c(C)[nH]n(-c2ccccc2)c1=O
COc1cc(ccc1Nc1ccccc1C(O)=O)-c1ccc(Nc2ccccc2C(O)=O)c(OC)c1
COc1cc(ccc1O)-c1c(C#N)c(=O)[nH]c2n(nc(C)c12)-c1ccccc1
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O
COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
COc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC
COc1cc2nc(nc(N)c2cc1OC)N1CCNCC1
COc1ccc(C=NNC(=O)CCn2cnc(c2-c2ccccc2)-c2ccccc2)cc1
COc1ccc(C=NNC(=O)c2nn(-c3ccccc3)c(=O)c3c(N)scc23)cc1
COc1ccc(CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)cc1S(=O)(=O)N1CCOCC1
COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
COc1ccc(CN=Nc2cc(nc(n2)N(C)C)N(C)C)cc1 |w:8.8|
COc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:8.8|
COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1
COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1
COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1
COc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1 |c:10,20|
COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
COc1ccc(OC)c(c1)C1=NOC(C1)C(O)=O |t:11|
COc1ccc(OCCNc2c([N+]([O-])=O)c(=O)oc3ccccc23)cc1
COc1ccc(OCc2cc(no2)C(=O)NC2CCOC(C)(C)C2)c2ccccc12
COc1ccc(c(OC)c1)-n1nc(C(=O)NCC(=O)NC2CCCC(C)C2C)c2ccccc2c1=O
COc1ccc(cc1)-c1nc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
COc1ccc(cc1)-n1c(NC(=O)c2ccco2)c(C#N)c2nc3ccccc3nc12
COc1ccc(cc1)-n1c2nc(C)oc(=N)c2c2nc3ccccc3nc12
COc1ccc(cc1)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
COc1ccc(cc1)C1=NOC(C1)C(O)=O |t:9|
COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1
COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
COc1ccc(cc1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12
COc1ccc(cc1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
COc1ccc(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
COc1ccc-2c(Cc3sc(NC(=O)c4ccccc4)nc-23)c1
COc1ccc-2c(Cc3sc(NC(=O)c4ccco4)nc-23)c1
COc1ccc-2c(Cc3sc(NC(=O)c4cccs4)nc-23)c1
COc1ccc2C(=O)C(CCc2c1)=CNc1ccc2OCOc2c1 |w:13.15|
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
COc1ccc2n(C)c3c4C(=O)C=CC(=O)c4ccc3c2c1 |c:12|
COc1ccc2noc3-c4ccccc4C(=O)c1c23
COc1cccc2C(=O)C(C)=CC(=O)c12 |c:10|
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
COc1ccccc1C1=NOC(C1)C(O)=O |t:9|
COc1ccccc1CN=Nc1cc(nc(n1)N(C)C)N(C)C |w:10.11|
COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O |w:9.9|
COc1ccccc1N1CCN(CC1)C(C(C)NS(=O)(=O)c1ccccc1)c1cccs1
COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:10|
COc1ccccc1Nc1cc2cc(Br)ccc2c(=O)[nH]1
COn1c2CCCCc2c2c1ccc1nonc21
CS(=O)(=O)\C=C\[C@@H](N)CC(O)=O |r|
CS(=O)(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1
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
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
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
CSc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:8.8|
C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2N=C1C(C)=C1N=C(C=C3[N-]C(=C(C)C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O)OP([O-])(=O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2cc(C)c(C)cc12 |w:27.28,18.19,23.23,c:16,t:22,30|
C[C@H](CO)Nc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
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
C\[NH+]=c1/ccc2nc3ccccc3n(C)c2c1
Cc1[n-]n(-c2ccccc2)c(=O)c1\C=[NH+]\NC(=O)c1cccc(c1)[N+]([O-])=O
Cc1[nH][nH]c(=O)c1C(c1ccc(o1)-c1cccc(Cl)c1)c1c(C)[nH][nH]c1=O
Cc1[nH][nH]c(=O)c1C(c1cn(Cc2cccc3ccccc23)c2ccccc12)c1c(C)[nH][nH]c1=O
Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O)c1ccccc1O
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(Br)cc1
Cc1[nH]n(-c2ccccc2)c(=O)c1C(C[N+]([O-])=O)c1ccc(C)cc1
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)C1COc2ccccc2O1 |w:14.16|
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccc(O)cc1O |w:14.16|
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc(F)c1 |w:14.16|
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccoc1C |w:14.16|
Cc1[nH]n(-c2ccccc2)c(=O)c1CN=Nc1nncc(n1)-c1ccccc1 |w:14.15|
Cc1c(oc2ccc(F)cc2c1=O)-c1nn(C)c(=O)c2ccccc12
Cc1cc(=O)n([nH]1)-c1ccc(cn1)C(F)(F)F
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|
Cc1cc(C)c(c(C)c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:15|
Cc1cc(C)c(cc1C)S(=O)(=O)N=C1C=C(SCC(O)=O)C(=O)c2ccccc12 |w:12.12,t:15|
Cc1cc(C)c2c(c1)occ(\C=C1/NC(=S)NC1=O)c2=O
Cc1cc(C)nc(c1)N=c1ssnc1Cl |w:8.8|
Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1
Cc1cc(N2CCN(CC2)c2ccc([N+]([O-])=O)c3cccnc23)c2ccccc2n1
Cc1cc([nH]n1)C(=O)NN=Cc1c(C)[nH]n(-c2ccccc2)c1=O |w:9.9|
Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C
Cc1cc2N(Cc3ccc(Cl)c(Cl)c3)C(=O)C(=O)c2c(C)c1
Cc1ccc(C)c(c1)S(=O)(=O)\N=C1/C=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:14|
Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:12.13,t:10|
Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:6|
Cc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl |c:6|
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Cc1ccc(Nc2c(O)c3ccccc3c(O)c2NCC=O)cc1
Cc1ccc(OCC(=O)N(Cc2nnc(o2)-c2ccccc2Cl)C2CC2)cc1C
Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
Cc1ccc(cc1)-c1nnc(CSc2nnc(COc3cccc4ccccc34)n2-c2ccccc2)o1
Cc1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
Cc1ccc(cc1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:8.9|
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:10.10,t:13|
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:10.10,t:13|
Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Cc1ccc(cc1S(=O)(=O)NCC1CCCO1)-c1nn2c(nnc2c2ccccc12)-c1ccco1
Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1
Cc1cccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:7|
Cc1ccccc1-c1cc2C(=O)c3ccccc3-c2nn1
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O |w:11.12,t:9|
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:11.12,t:9|
Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Cc1nn2c(nnc2c2ccccc12)-c1ccncc1
Cc1nnc(N=c2ssnc2Cl)o1
Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(c1)S(=O)(=O)NCc1ccccc1
Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(c1)S(=O)(=O)NCc1ccco1
Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
Cc1oc2c(c1C(O)=O)C(=O)c1ccccc1C2=O
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl
Clc1ccc(Cc2nc(n[nH]c2=O)-c2ccccc2)cc1
Clc1ccc(NC2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
Clc1ccc(cc1)-c1cn2nc3CCCCc3nc2n1
Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1
Clc1ccc(cc1)S(=O)(=O)NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O |c:12|
Clc1ccc2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)c2c1
Clc1ccccc1-c1nn2c(nnc2s1)-c1ccncc1
Clc1ccccc1C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CC=C
Clc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
Clc1ccccc1OCc1nn2c(nnc2s1)-c1ccncc1
Clc1nss\c1=N/c1ccc(Cl)cn1
Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Cn1c(=O)[nH]c2nncnc2c1=O
Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
FC(F)(F)c1cccc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)c1
FC(F)(F)c1nc2cccc3ccc(C=O)c([nH]1)c23
FC(F)(F)c1nc2cccc3cccc([nH]1)c23
FC(F)(F)c1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Fc1cc2c(cc1N1CCNCC1)n(cc(C(=O)N\N=C\c1ccc3OCOc3c1)c2=O)C1CC1
Fc1ccc(NC2=C(NC(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)cc1 |c:6|
Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
Fc1ccc(cc1)C(=O)CCCN1CCc2[nH]c3ccc(F)cc3c2C1
Fc1ccc-2c(c1)C(=O)c1nc3ccccc3c(=O)n-21
NC(=O)C1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:10|
NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccc(Cl)cc2)cc1
NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1
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
NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:9|
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,)|
Nc1c(cc(Cl)c2nonc12)N1CCCC1
Nc1cc2nsnc2cc1Br
Nc1ccc(Br)c2cccnc12
Nc1ccc(Oc2ncccn2)cc1
Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Nc1ccc2nn(nc2c1)-c1cccc2ccccc12
Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1
Nc1nc2N(Cc3cccs3)C(=O)Cc2c2c(C#N)c(nc(N)c12)N(CCO)CCO
Nc1nnc2CCCCc2n1
O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
O=C(NC1=C(NC2CCS(=O)(=O)C2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3|
O=C(NN=C1CC(=NNC(=O)c2ccncc2)c2ccccc12)c1ccncc1
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,)|
O=C(Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1)c1cccs1
O=C(c1coc2c1C(=O)c1ccccc1C2=O)c1ccccc1
O=C1C(=O)c2ccc(cc2-c2ccccc12)-c1ccccc1
O=C1C(=O)c2ccccc2-c2ccccc12
O=C1C(N2CCOCC2)=C(C(=O)c2ccccc12)n1nnc2ccccc12 |c:9|
O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc12 |t:10|
O=C1C=C(N2CCCCC2)c2ccccc2C1=O |t:2|
O=C1C=C(N2CCOCC2)c2ccccc2C1=O |t:2|
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O |t:2|
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|
O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
O=C1Cc2ccccc2C(=O)N1Cc1ccccc1
O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)N(=O)=O
O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCCC1
O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@@H]1CNc1ccccc1 |r|
O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1CNc1ccccc1 |r|
O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
O=C1OC(Nc2ccc3ncccc3c2)c2ccccc12
O=C1c2[nH]c(=O)[nH]c2C(=O)c2ccccc12
O=[#6]-1\[#6](-[#7]-c2ccccc-12)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O
O=c1[nH]c(Nc2ccccc2)cc2ccccc12
O=c1[nH]c(Nc2ccccn2)cc2ccccc12
O=c1[nH]c(cc2ccccc12)N1CCOCC1
O=c1cc(N=NCc2ccccc2)[nH]c(=O)[nH]1 |w:4.3|
OC(=O)C1(Cn2cccn2)CC1
OC(=O)C1CC(=NO1)c1c(F)cccc1Cl |c:5|
OC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:5|
OC(=O)C1CC(=NO1)c1cccc(Br)c1 |c:5|
OC(=O)C1CC(=NO1)c1ccccc1Cl |c:5|
OC(=O)C1CC(=NO1)c1ccccc1O |c:5|
OC(=O)C1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:10|
OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1
OC(=O)CCCN1C(=S)S\C(=C\c2ccc(o2)-c2nc3ccccc3s2)C1=O
OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
OC(=O)CCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
OC(=O)C[C@H](NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)C(=O)C1)C(=O)COc1ccnc(n1)C(F)(F)F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
OC(=O)C[C@H](NC(=O)CN1CCN(Cc2ccccc2)CC1=O)C(=O)COc1c(F)c(F)cc(F)c1F |r,$;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$|
OC(=O)Cc1ccc(cc1)-c1ccccc1
OC(=O)c1ccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)cc1 |t:8|
OC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1 |c:8|
OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1 |w:11.11,t:8|
OC(=O)c1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccccc2F)C(=O)c2ccccc12 |w:12.12,t:15|
OC(=O)c1cccc(NC2=C(C(=O)c3ccccc3C2=O)n2nnc3ccccc23)c1 |t:9|
OC(=O)c1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1 |c:9|
OC(=O)c1cccc(c1)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1
OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1
OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:11|
OC1(NC(=O)Cc2ccccc2)C(=O)c2ccccc2C1=O
OC1(NC(=O)Cc2ccccc2Cl)C(=O)c2ccccc2C1=O
OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
OC12OC3=C(C(=O)CCC3)C1(O)C(=O)c1ccccc21 |t:3|
OC1C(=O)C(=O)C(=O)c2ccccc12
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Oc1c(Br)cc(Br)cc1C=Nc1cccc2ncccc12 |w:10.11|
Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ccccc12 |w:5.4|
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ccccc12 |w:5.4|
Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12 |w:5.4|
Oc1c([O-])ccc(C[NH+]=Nc2ccc(cc2S(=O)(=O)N2CCOCC2)[N+]([O-])=O)c1O |w:9.9|
Oc1cc(NCCN2CCOCC2)cc2cccnc12
Oc1cc(NCCc2cccnc2)cc2cccnc12
Oc1ccc(Br)cc1CNc1cccc2cccnc12
Oc1ccc(C=CC(=O)c2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1 |w:6.6,c:14|
Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1 |w:7.7|
Oc1ccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)cc1O |w:7.7|
Oc1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)c(O)c1 |w:7.7|
Oc1ccc(\C=C2/NC(=O)c3ccccc3C2=O)cc1
Oc1ccc(cc1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1ccc(O)cc1)c3=O
Oc1cccc(CN=Nc2cc(nc(n2)N2CCCC2)N2CCCC2)c1 |w:8.8|
Oc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 |c:7|
Oc1ccccc1CN=Nc1cc(nc(n1)N1CCCC1)N1CCCC1 |w:9.10|
Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|
[#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
[#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
[#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
[#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|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8]-[#6]-[#6](-[#8])=O)-[#6](=O)-c2ccccc2-[#6]-1=O |c:5|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|
[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|
[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,)|
[H][C@]12[C@H](N3C=Cc4ccccc4[C@]3([H])[C@@]1([H])C(=O)N(C1CCCCC1)C2=O)C(=O)C(C)(C)C |c:4|
[O-]N1[C@H]2CCCC[C@H]2[N+](=O)C2=C1C(=O)c1ccccc21 |c:11|
[O-][N+](=O)c1cc(ccc1Cl)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCCC1)N1CCCC1
[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1
[O-][N+](=O)c1ccccc1-c1ccc([CH+][N-]NC(=O)c2cccnc2)o1
[O-][N+](=O)c1ccccc1-c1ccc(o1)C(=S)N1CCCC1
[O-][N+](=O)c1ccccc1C(=O)Oc1ccc(cc1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
[O-][N+](=O)c1ccccc1C(=O)Oc1cccc(c1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
[O-][N+]1=C(C(=O)c2ccccc12)c1ccccc1 |t:1|
[O-]c1[nH]c(=S)[nH]c1[CH+]c1cc2OCOc2cc1[N+]([O-])=O
c1coc(c1)-c1nnc(nn1)-c1ccco1