579 SMILES Strings for Beta-galactosidase

Compound Name
SMILES String
BrC1=C(C(=C(C1=O)c1ccccc1)c1ccccc1)c1ccccc1 |c:3,t:1|
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Brc1ccc2NC(=O)\C(=C/C(=O)c3ccccc3)c2c1
Brc1cccc(c1)C(=O)NC(=S)N1CCN(Cc2ccc3OCOc3c2)CC1
Brc1cn(CC2(CC(=C)C(=O)O2)c2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
C=CCN(CC=C)C(=S)NC(=O)c1ccc(cc1)-c1ccccc1
CC(=NNC(=O)C1CCCN(C1)S(=O)(=O)c1ccccc1)c1ccccn1 |w:2.2|
CC(=NNC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl |w:2.2|
CC(=NNC(=S)Nc1ccccc1)c1ccc2OCOc2c1 |w:2.2|
CC(=O)N1C(=C(Sc2nnc(C)n12)C(C)=O)c1ccccc1 |c:4|
CC(=O)N1N=C(CC1c1cccc(c1)[N+]([O-])=O)c1cccs1 |c:4|
CC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
CC(=O)NC1CC(CO)C(O)C(O)C1O
CC(=O)NS(=O)(=O)c1ccc(Nc2ccc([N+]([O-])=O)c3nonc23)cc1
CC(=O)N[C@H]1C(O)O[C@H](C(O)CO)[C@@H]1C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
CC(=O)Nc1ccc(Sc2ccc(o2)[N+]([O-])=O)cc1
CC(=O)OC1CCC2(C)C3CCC4(C)C(C\C(=C(/OC(C)=O)C(F)(F)F)C4=O)C3CC=C2C1 |c:32|
CC(=O)Oc1ccccc1C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
CC(=O)[C-]1Sc2nn[c-](C)[n+]2[N+](C(C)=O)=C1c1cccc(c1)[N+]([O-])=O |c:15|
CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(N1CCN(CCO)CC1)c1cccnc1
CC(C)(C)c1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)NN=Cc1ccccn1
CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1
CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]21C
CC(C)C(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
CC(C)CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C
CC(C)Cc1nnc(NC(=O)c2cc(ccc2N2CCOCC2)[N+]([O-])=O)s1
CC(C)NC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r|
CC(C)OC(=O)c1cc(oc1C)C1NCC(O)C1O
CC(C)Oc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)C(F)(F)F
CC(C)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
CC(C)c1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3OCOc3c2)c1
CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
CC(C=CC1=C(C)CCCC1(C)C)=NNC(=O)c1ccncc1 |w:13.14,3.3,c:4|
CC(C=Cc1ccccc1)=NNC(=O)c1cccc(Br)c1 |w:10.11,3.3|
CC(CC1CC2=C(CC1(C)C)C(C)(C)CCC2)=NNC(N)=S |w:17.19,c:5|
CC(N=Nc1ccc2ccccc2n1)c1ccccc1O |w:2.1|
CC(NC(=O)C(=C\c1ccc(o1)[N+]([O-])=O)\C#N)c1ccccc1
CC(NCC1NCC(O)C1O)C(O)(c1ccccc1)c1ccccc1
CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1 |w:14.15|
CC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 |r|
CC(O)CC[C@@H]1C[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12 |r|
CC(O)C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CC(O)[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
CC(OC(C)=O)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(O)c(ccc1C2=O)-c1ccc2C(=O)C3=C(C(=O)CC(C)(O)C3C(C)OC(C)=O)C(=O)c2c1O |c:7,t:35|
CC(Oc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccn1
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)n1ccnc1 |t:17,21|
CC1(C)O[C@@H]2O[C@@H]3[C@@H](ON=C3CO)[C@@H]2O1 |c:9|
CC1=NN(C(=O)\C1=C\NN1C(=O)c2ccc3CCc4ccc(C1=O)c2c34)c1ccccc1 |t:1|
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1Cl |t:1|
CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cccc(Cl)c1 |t:1|
CC1C(N(C)C(C(C)C1(O)C#Cc1ccccc1)c1ccccc1)c1ccccc1
CC1CC(NCCCCc2ccccc2)C(O)C(O)C1O
CC1CCCN(CC(=O)c2ccc(Cl)c(Cl)c2)C1
CC1CCc2c(C1)sc1nc(C)nc(N3CCNCC3)c21
CC1CN(CC(C)O1)c1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(F)cc1
CC1CNC[C@H](O)C1O
CC1COCC(C)N1C1=C(Cl)C(=O)c2ccccc2C1=O |c:9|
CC1C[C@H](NCCCCc2ccccc2)[C@@H](O)C(O)[C@@H]1O
CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc(Cl)c1
CC1Cc2ccccc2N1C(=S)NC(=O)c1cccc(Br)c1
CC1OC(CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9|
CC1SC(=N)N(C1=O)c1ncc(Cc2ccc(C)cc2)s1
CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1
CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O |c:5,t:15|
CCC(=O)OCOc1ccc(C=C2CCC(CN(C)C)C2=O)cc1 |w:11.10|
CCCCC(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
CCCCC(CC)CNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r,t:9|
CCCCC(CC)\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
CCCCC=C1CCC(CN(C)C)C1=O |w:4.3|
CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(C(C)CC)C1=O |w:10.9|
CCCCCCCCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCCCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
CCCCCCCCCCCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCCCNC1=N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r,t:12|
CCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCCCNC1CC(C)C(O)C(O)C1O
CCCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
CCCCCCCCN1C[C@@H](CO)O[C@@H](C1)OC |r|
CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCNC1CC(=C)C(O)C(O)C1O
CCCCCCCCNC1CC(C)C(O)C(O)C1O
CCCCCCCCNC1CC(CO)C(O)C(O)C1O
CCCCCCCCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:10|
CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10|
CCCCCCCCN[C@H]1CC(C)[C@@H](O)C(O)[C@@H]1O
CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCCCNC(=S)N1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCNC1CC(C)C(O)C(O)C1O
CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCCn1cc(CNC(=O)c2cc(oc2C)[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12 |w:5.4,9.8|
CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
CCCCN1CC(C)C(O)C(O)C1
CCCCN1CC(O)C(O)C(O)C1
CCCCN1C[C@@H](CO)O[C@@H](C1)OC |r|
CCCCN1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
CCCCNC(=S)N1[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1CO |r|
CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO |r|
CCCCOCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
CCCC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H](O)CN1 |r|
CCCC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CCCCn1c(N)c(C(=S)NC(=O)CC(C)(C)C)c(=O)n(C)c1=O
CCCCn1c(N)c(C(=S)NC(=O)CC(C)C)c(=O)n(C)c1=O
CCCN1C[C@@H](CO)O[C@@H](C1)OC |r|
CCCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1
CCCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(c1)C(F)(F)F
CCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCC\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
CCN(CC(=O)NC(C)(C)C)C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r|
CCN(CC)CCNC(=S)NC(=O)c1cn(nc1-c1ccc(OC)cc1)-c1ccccc1
CCN(CC)CCn1c(NC(=O)c2ccccc2O)nc2ccccc12
CCN(CC)c1nc(C)c(s1)C(=S)Nc1cc(ccc1Cl)[N+]([O-])=O
CCN1C(=S)S\C(=C/C=C2/Sc3ccccc3N2CCO)C1=O
CCN1CCC(O)(\C=C\c2ccc(C)cc2)C(C1)C(=O)C=Cc1ccc(C)cc1 |w:20.21|
CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:5|
CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O |c:5|
CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O |c:5|
CCOC(=O)C1C(c2cccs2)C2=C(CC(CC2=O)c2cccs2)N=C1C |c:27,t:13|
CCOC(=O)C=C(C)Sc1cc(O)c2ccccc2c1O
CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccccc1C
CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O
CCOC(=O)c1c(C)c(C)sc1N1C(=O)C=CC1=O |c:16|
CCOC(=O)c1c(NC(=S)NC(=O)N(C)C)scc1-c1ccc(C)o1
CCOC(=O)c1cc(c(cc1NC(C)=O)[N+]([O-])=O)[N+]([O-])=O
CCOC(=O)c1cc(cc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O)[N+]([O-])=O
CCOC(=O)c1cc(nc2c(O)cccc12)-c1ccccc1
CCOC(=O)c1cc(oc1C)C1NCC(O)C1O
CCOC(=O)c1cc(oc1C)[C@@H]1NC[C@@H](O)[C@H]1O |r|
CCOC(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r|
CCOC1=CC(=Cc2c([nH]n(-c3nc(cs3)-c3ccc(Br)cc3)c2=O)-c2ccccc2)C=CC1=O |w:6.6,c:35,t:3|
CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
CCOc1cc(\C=C2/SC(=S)N(C(C(O)=O)c3ccccc3)C2=O)ccc1O
CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1 |w:9.9|
CCOc1ccc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)cc1OC |w:9.9|
CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
CCOc1ccc(\C=C\[N+]([O-])=O)c2ccccc12
CCOc1ccc(cc1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
CCOc1ccc(cc1)C(=O)NN=Cc1cccc2cccnc12
CCOc1cccc(c1)C(=O)NC(=S)Nc1cccc(C)c1
CC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](CO)N1
CC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CC[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
CC[C@H]1NC[C@@H](O)[C@@H]1O |r|
CC[C@H]1NC[C@H](O)[C@@H]1O |r|
CC[N+]1(C)CCC(O)(\C=C\c2ccccc2)C(C1)C(=O)C=Cc1ccccc1 |w:20.21|
CCc1ccc(\C=C\C(=O)c2cc(Br)ccc(=O)c2O)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(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:11.11,t:14|
CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3C(=O)OC)cc2c1
CCc1ccccc1OCC(=O)Nc1nc(cs1)-c1cccnc1
CN(C)C(CNc1ccc(cn1)C(F)(F)F)c1ccccc1
CN(C)CC1CCCC(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C1=O |w:9.9|
CN(C)CCCN1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Br)cc1
CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
CN(C)CCSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1
CN(C)\C=C\C=CC=c1c(=C)[nH]n(-c2ccccc2)c1=O |w:7.6,5.4|
CN(C)c1c(cc(cc1[N+]([O-])=O)N1C(=O)C=CC1=O)[N+]([O-])=O |c:16|
CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1 |w:9.8|
CN(C)c1ccc(Cc2cc3c(O)ccc(O)c3cc(Cc3ccc(cc3)N(C)C)c2=O)cc1
CN(C)c1ccc(\C=c2/c3cc(ccc3n3[n+](C)c(cc23)-c2ccccc2)[N+]([O-])=O)cc1
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCNC(=O)CCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
CN(C)c1nc(Nc2ccc(F)cc2)nc(N=NCc2ccccc2O)n1 |w:16.16|
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
CN(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)\C=C\c1ccccc1
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCCC2)cc1
CN(N=Cc1cc(Br)cc(Br)c1O)c1cccc(n1)C(F)(F)F |w:2.1|
CN(c1ccccc1)c1ccc(\C=C\[N+]([O-])=O)cc1
CN1C(=O)C(C2CC(N=N2)c2ccc(Cl)cc2)C(=O)N(C)C1=O |c:8|
CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
CN1C(=c2sc(=C3C(Nc4ccccc4)=NN(C3=O)c3ccccc3)n(C)c2=O)C(C)(C)c2ccccc12 |w:2.1,6.6,c:15|
CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1
CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
CNC(CC(=O)c1ccc(cc1)[N+]([O-])=O)C(Cl)(Cl)Cl
CNCc1ccccc1Sc1cc(O)ccc1O
COC(=O)C1=C(SC2(S1)c1ssc(=O)c1SC(C(=O)OC)=C2C(=O)OC)C(=O)OC |c:22,t:4|
COC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Cl)cc1 |t:4|
COC(=O)C1C(C(=O)OC)C(C(=O)OC)(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC |c:33,t:23|
COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
COC(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1Cl |w:15.16,5.4|
COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
COC(=O)c1cc(oc1C)C1NCC(O)C1O
COC(=O)c1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(3.08,7.32,;4.41,6.55,;4.41,5.01,;3.08,4.24,;5.75,4.24,;7.08,5.01,;8.41,4.24,;8.41,2.7,;9.75,1.93,;7.08,1.93,;5.75,2.7,;7.08,.39,;8.41,-.39,;9.87,.08,;10.77,-1.16,;9.87,-2.39,;8.41,-1.93,;7.08,-2.7,;7.08,-4.24,;5.75,-1.93,;4.41,-2.7,;4.41,-4.24,;3.08,-5.01,;3.08,-6.55,;4.41,-7.32,;5.75,-6.55,;5.75,-5.01,;5.75,-.39,;4.41,.39,)|
COC(=O)c1ccc(CCc2cc(O)c(Br)cc2O)cc1
COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|
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(CNC(=O)c1ccc2C(=O)c3ccccc3-c3onc1c23)OC
COC1=C(Br)C(=O)c2ncccc2C1=O |c:2|
COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O |c:2,21|
COC1CNCC(O)C1O
COCC(C)n1c(cs\c1=N/c1ccc(OC(F)F)cc1)-c1ccc2OCC(=O)Nc2c1
COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|
COCCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C(C)c1ccc(O)cc1 |w:21.23,4.3|
CO[C@@H]1CC2COC([C@H]2NC2CC(CO)C(O)C(O)C2O)C1O |TLB:1:2:8:6.5,9:8:21.2.3:6.5,THB:22:21:8:6.5|
CO[C@@H]1CN(C)C[C@@H](CO)O1 |r|
CO[C@@H]1CN(O)C[C@@H](CO)O1 |r|
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)N=C1NCc1ccc(C)cc1 |r,c:10|
CO[C@H]1[C@@H](CO)N=C(NCc2ccc(C)cc2)[C@H](O)[C@H]1O |r,t:6|
COc1cc(CN=Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)Nc2ccccc2C(O)=O)ccc1OCC=C |w:7.7|
COc1cc(N2C(=O)C=CC2=O)c(OC)cc1Cl |c:8|
COc1cc(OC)c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(\C=C\c2ccc(OC)c(OC)c2)c1 |r|
COc1cc(OC)c(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(\C=C\c2ccc(OC)c(OC)c2)c1 |r|
COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r|
COc1cc(\C=C2/SC(=O)N(C2=O)c2cccc(Cl)c2)cc(c1O)[N+]([O-])=O
COc1cc(\C=C2/SC(=S)N(NC(=O)c3ccc(O)c(OC)c3)C2=O)ccc1O
COc1cc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)ccc1O
COc1cc(\C=C2\SC(=S)N(C2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1O
COc1cc(\C=C\c2ccc3cccc(OC)c3n2)c(OC(C)=O)c(c1)[N+]([O-])=O
COc1cc(\C=C\c2sc3ccccc3[n+]2CCCS([O-])(=O)=O)ccc1O
COc1cc2C(NCC3(CCCC3)c2cc1OC)c1cccc(c1)[N+]([O-])=O
COc1ccc(C)c(c1)-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O |(4.41,6.93,;4.41,5.39,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;9.75,2.31,;7.08,2.31,;5.75,3.08,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,)|
COc1ccc(C)cc1N=Nc1ccc(O)c2ncccc12 |w:9.9|
COc1ccc(C=C2CCC(CN3CCOCC3)C2=O)cc1 |w:6.5|
COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
COc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
COc1ccc(NC(=S)NC(NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
COc1ccc(\C=C\c2cc(OC)cc(OC)c2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
COc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)o1
COc1ccc(cc1)-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O
COc1ccc(cc1)N1C(=S)NC(=O)C(=CC=Cc2ccccc2[N+]([O-])=O)C1=O |w:15.16,17.18|
COc1ccc(cc1)N=Nc1ccc(O)c2ncccc12 |w:8.8|
COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12 |w:11.11,t:14|
COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
COc1ccc(cc1OC)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O |w:15.15|
COc1ccc2cc(ccc2c1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
COc1ccc[c-](C[NH+]=Nc2nc(Nc3ccc(cc3)[N+]([O-])=O)nc(n2)N2CCCC2)c1=O |w:9.9|
COc1cccc(C=C2CCC(CN(C)C)C2=O)c1 |w:7.6|
COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)c1O |w:9.9|
COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1
COc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)s2)o1
COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
COc1cccc(c1)N=Nc1ccc2cccnc2c1O |w:8.8|
COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)CCS(=O)(=O)c1ccccc1
COc1ccccc1C(=O)NC(N)=Nc1nc2ccccc2o1 |w:13.14|
COc1ccccc1N1C(=O)C=C(Sc2nc(C)cc(C)n2)C1=O |t:12|
COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.8|
CS(=O)(=O)c1cc(c(Sc2nc3ccccc3[nH]2)c(c1)[N+]([O-])=O)[N+]([O-])=O
CS(=O)(=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)CC(=O)OCc1ccccc1
C[C@@H]1CC(NCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O |r|
C[C@@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
C[C@@H]1N[C@H](CC(=O)Nc2ccc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
C[C@@H]1N[C@H](CC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H](O)[C@@H]1O |r|
C[C@@H]1N[C@H](CC(=O)Nc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
C[C@@H]1N[C@H](CC(=O)Nc2ccccc2C)[C@@H](O)[C@H](O)[C@@H]1O |r|
C[C@@H]1N[C@H](CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |r|
C[C@@H]1[C@@H](O)[C@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
C[C@H](O)NC[C@H]1NC[C@H](O)[C@@H]1O |r|
C[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
C[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
C[C@H]1N[C@@H](CO)[C@H](O)[C@H]1O |r|
C[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
C[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
C[C@H]1[C@H](O)[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12
C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
C\C=C(/C)C(=O)OC1[C@H](OC(C)=O)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CCC34C)C2CC1(C)C |c:21|
Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1 |w:5.5,14.15|
Cc1[nH]c2ccccc2c1C1=CC(=O)C=CC1=O |c:16,t:12|
Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=NN1C(=O)c2cccc3cccc(C1=O)c23 |w:15.17|
Cc1[nH]n2c(nc(cc2=O)-c2ccc(cc2)[N+]([O-])=O)c1-c1ccccc1
Cc1c(\N=C2/C=CC(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C |c:5|
Cc1c(cc(cc1[N+]([O-])=O)N1C(=O)C=CC1=O)[N+]([O-])=O |c:14|
Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Cc1cc(C)c(OCC(=O)Nc2nc(cs2)-c2ccccn2)c(C)c1
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)cc(c1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
Cc1cc(C)cc(c1)N1C(=O)C=CC1=O |c:12|
Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(F)cc2)n1 |w:13.13|
Cc1cc(C)nc(NNC=C2C(=O)CC(CC2=O)c2ccc(F)cc2)n1 |(5.75,-8.44,;5.75,-6.9,;4.41,-6.13,;4.41,-4.59,;3.08,-3.82,;5.75,-3.82,;7.08,-4.59,;8.41,-3.82,;8.41,-2.28,;9.75,-1.51,;9.75,.03,;11.08,.8,;12.42,.03,;11.08,2.34,;9.75,3.11,;8.41,2.34,;8.41,.8,;7.08,.03,;10.52,4.44,;12.06,4.44,;12.83,5.78,;12.06,7.11,;12.83,8.44,;10.52,7.11,;9.75,5.78,;7.08,-6.13,)|
Cc1cc(N2C(=O)C=CC2=O)c(cc1C)[N+]([O-])=O |c:7|
Cc1cc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1C
Cc1cc(O)c(cc1O)-c1cc(O)c(C)cc1O
Cc1cc(ccc1NC(=S)NC(=O)Cc1ccccc1)[N+]([O-])=O
Cc1cc2nc(sc2cc1C)-n1c(O)c[nH]c1=S
Cc1ccc(C)c(c1)-c1csc(NC(=O)c2cnccn2)n1
Cc1ccc(C)c2sc(NC(=O)c3nc4ccccc4s3)nc12
Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
Cc1ccc(CNC2=N[C@H](CO)[C@H](O)[C@H](O)C2)cc1 |r,t:7|
Cc1ccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 |r|
Cc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCS2(=O)=O)cc1 |c:8|
Cc1ccc(NC(=O)c2cc(ccc2Cl)N2C(=O)C=CC2=O)cc1C |c:19|
Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1 |c:25|
Cc1ccc(NC(=O)c2ccc(Cl)c(c2)N2C(=O)C=CC2=O)cc1 |c:19|
Cc1ccc(NC(=S)NNC(=O)Nc2ccccc2)cc1
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(NN2C(=O)C=C(C2=O)c2ccccc2)cc1 |c:9|
Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Cc1ccc(O)c(c1)N=Nc1nccs1 |w:8.8|
Cc1ccc(Oc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)C(N)=O)cc1
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)C(=O)NNC(=S)NC(=O)c1ccccc1
Cc1ccc(cc1)C(CCN(Cc1ccccc1)C(=O)c1ccco1)c1ccco1
Cc1ccc(cc1)C(C[N+]([O-])=O)Sc1ccc(N)cc1
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12 |w:10.10,t:13|
Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
Cc1ccc(cc1-n1c2nc[nH]c2c(=O)n(Cc2ccccc2)c1=O)S(C)=O |(9.75,2.31,;8.41,3.08,;8.41,4.62,;7.08,5.39,;5.75,4.62,;5.75,3.08,;7.08,2.31,;7.08,.77,;8.41,,;9.87,.47,;10.77,-.77,;9.87,-2.01,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-1.54,;4.41,-2.31,;4.41,-3.85,;3.08,-4.62,;3.08,-6.16,;4.41,-6.93,;5.75,-6.16,;5.75,-4.62,;5.75,,;4.41,.77,;4.41,5.39,;4.41,6.93,;3.08,4.62,)|
Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1ccc(Cl)c2cccnc12
Cc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1
Cc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
Cc1cccc(C=NNC(=O)c2ccccc2OCc2cccc(Br)c2)n1
Cc1cccc(C\N=C2/N[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |r|
Cc1cccc(NC(=S)NN=Cc2ccc(s2)[N+]([O-])=O)c1 |w:10.9|
Cc1cccc(c1)-c1nnc(NC(=O)c2ccc(Cl)cc2)o1
Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O |(3.12,-4.21,;4.46,-4.98,;4.46,-6.52,;5.79,-7.29,;7.12,-6.52,;7.12,-4.98,;5.79,-4.21,;5.79,-2.67,;7.04,-1.76,;8.5,-2.24,;6.56,-.3,;5.02,-.3,;4.12,.95,;4.74,2.36,;3.97,3.69,;5,4.83,;6.41,4.21,;6.25,2.68,;7.74,4.98,;9.08,4.21,;10.41,4.98,;10.41,6.52,;9.08,7.29,;7.74,6.52,;4.54,-1.76,;3.08,-2.24,)|
Cc1ccccc1CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(F)cc1
Cc1ccccc1C\N=C1/N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Cc1ccccc1N=Nc1ccc(O)c2ncccc12 |w:7.7|
Cc1ccccc1NC(=O)c1ccc(Nc2c(cc([N+]([O-])=O)c3ccccc23)[N+]([O-])=O)cc1
Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)N1CCn2c1nc1ccccc21
Cc1nc(c(C#N)c(C)c1[N+]([O-])=O)S(=O)(=O)c1ccccc1
Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccco1
Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
Cc1nn2c(NCc3ccccn3)cc(C)nc2c1-c1ccc(Cl)cc1
Cc1oc(cc1C(=O)NCc1cn(CCCCCCCCCCCCn2cc(CNC(=O)c3cc(oc3C)[C@H]3NC[C@@H](O)[C@H]3O)nn2)nn1)[C@H]1NC[C@@H](O)[C@H]1O |r|
Cl.C1CCC(CC1)c1ccc2n3CCCNC4CCCc(c34)c2c1
Cl.O[C@@H]1CN[C@H](CC(O)=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Cl.O[C@@H]1CN[C@H](CC(O)=O)[C@H](O)[C@@H](O)[C@H]1O |r|
Cl.O[C@H]1CN[C@@H](CC(O)=O)[C@H](O)[C@@H](O)[C@H]1O |r|
ClC(Cl)(c1nnnn1-c1ccccc1)c1nnnn1-c1ccccc1
ClC1=C(N2CCCCC2)C(=O)C(Cl)=C(c2cnc(s2)N2CCCCC2)C1=O |c:1,t:13|
ClC1=C(NC(=O)c2ccccc2)C(=O)C(Cl)=C(NC(=O)c2ccccc2)C1=O |c:1,t:16|
ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
ClC1=CC(C=CC1N=O)=C(C#N)c1ccc(Cl)cc1 |w:3.2,c:4,t:1|
Clc1c(sc2cc(Cl)ccc12)C(=O)Nc1nccs1
Clc1cc(Cl)c2cccnc2c1OC(=O)c1ccco1
Clc1ccc(OC(=O)c2cccnc2)c2ncccc12
Clc1ccc(OC(=O)c2ccco2)c2ncccc12
Clc1ccc(OCC(=O)NN=Cc2cccc3cccnc23)cc1
Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
Clc1cccc(Cc2cnc(s2)N2C(=N)SCC2=O)c1
Clc1ccccc1Cc1cnc(s1)N1C(=N)SCC1=O
FC(F)(F)c1ccc(\C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)cc1
FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
FC(F)(F)c1cnc(c(Cl)c1)-n1ccnc1SCC(=O)c1ccc(Br)cc1
FC(F)(F)c1cnc(c(Cl)c1)-n1ccnc1SCC(=O)c1ccc(Cl)cc1
FC(F)(F)c1nc2cccc3cccc([nH]1)c23
FC(F)Oc1ccc(cc1)N1C(=O)C=CC1=O |c:14|
Fc1ccc(Cc2cnc(s2)N2C(=N)SCC2=O)cc1
Fc1ccc(cc1)C(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
Fc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCNCC3)n2n1
Fc1cccc2sc(Nc3nnc(o3)-c3ccco3)nc12
I\[#6](I)=[#6]-1/[#6](=O)-c2ccccc2-c2ccccc-12
N(c1n[n+](c(\C=C\c2ccccc2)s1)-c1ccccc1)c1ccccc1
NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CCCCc12
NC(SCC=C)=N[NH+]=C[c-]1cc(Br)cc([N+]([O-])=O)c1=O |w:7.6,1.0|
NCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |r|
NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
N[C@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Nc1c(cc(NC(=O)c2ccccc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
O=C(CSc1cccc2cccnc12)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
O=C(Cc1ccccc1)Nc1cccc(c1)N1C(=O)C=CC1=O |c:21|
O=C(N1CCN(CC1)c1nc(-c2ccccc2)c2CCCCc2c1C#N)c1ccccc1
O=C(NC(=S)N(CCc1ccccc1)CCc1ccccc1)c1ccco1
O=C(NC1=CC(=O)c2ccccc2C1=O)c1ccccc1 |t:3|
O=C(NNC(=O)c1ccccc1)c1cc(nn1-c1ccccc1)-c1ccccc1
O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)c1ccccc1
O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1
O=C(c1ccccc1)c1ccccc1N1C(=O)C=CC1=O |c:19|
O=C1C(Nc2ccccc2)=CC(=NS(=O)(=O)c2cccs2)c2ccccc12 |w:12.13,c:10|
O=C1C=C(C(=O)N1Nc1ccccc1)c1ccccc1 |c:2|
O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1 |c:2|
O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O |c:27,t:15,23|
O=C1NC(=O)C=C1 |c:5|
O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2cc3ccccc3cc12
OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31|
OC(=O)c1ccc(cc1)N=NC=CCc1ccc(o1)[N+]([O-])=O |w:9.9,12.13|
OC(O)CC1NCC(O)C1O
OC1CNC(CNCC2CCN(Cc3ccccc3)CC2)C1O
OC1CNCC(=C)C1O
OCC(O)CC(O)[C@@H]1CC[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 |r|
OCC(O)CCCCC(O)CC(O)CCC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OCC(O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12
OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
OCC1C(O)C(O)C(O)c2nccn12
OCC1NC(CO)C(O)C1O
OCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C\CC[C@H](Cc2ccc(F)cc2)C(=O)O[C@H](CNC1=O)c1ccccc1 |t:17|
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OC[C@@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@@H]1CNC[C@@H](O)[C@@H]1O |r|
OC[C@@H]1CNC[C@H](O)[C@H]1O |r|
OC[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
OC[C@@H]1C[C@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12
OC[C@@H]1NCC[C@@H](O)[C@H]1O |r|
OC[C@@H]1NC[C@@H](O)[C@H](O)[C@@H]1O
OC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1O
OC[C@@H]1NC[C@H](O)[C@H]1O
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1 |r|
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCC#N |r|
OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1NCCCCCC#N |r|
OC[C@@]12CCC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]2O |r|
OC[C@@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
OC[C@@]12CCCN1C[C@@H](O)[C@@H](O)[C@@H]2O |r|
OC[C@@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
OC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OC[C@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
OC[C@H]1CNC[C@@H](O)[C@H]1O |r|
OC[C@H]1NC(=N)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1NC(=O)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1NCC[C@@H](O)[C@@H]1O |r|
OC[C@H]1NCC[C@H](O)[C@@H]1O |r|
OC[C@H]1NC[C@@H](O)[C@H](O)[C@@H]1O |r|
OC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1NC[C@H](O)[C@@H]1O |r|
OC[C@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O
OC[C@H]1N\C(=N/C2CC2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/CC2CC2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/CC2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/CC2CCCCCC2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/CCCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/Cc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/Cc2ccc(cc2)C(F)(F)F)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/Cc2cccc(F)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1N\C(=N/Cc2ccccc2F)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1OC[C@@H](O)[C@@H]1O
OC[C@H]1OC[C@@H](O)[C@H]1O
OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
OC[C@H]1O[C@@H](SCCOC(=O)c2ccc(cc2C(c2ccccc2)c2ccccc2)C(=O)NCCOCCOCCOCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@@H](SCCOCCOC(=O)c2ccc(cc2C(c2ccccc2)c2ccccc2)C(=O)NCCOCCOCCOCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@@H](SCCOCCOCCOCCOC(=O)c2ccc(cc2C(c2ccccc2)c2ccccc2)C(=O)NCCOCCOCCOCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(nn1)-c1ccccc1 |r|
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)n1cc(nn1)-c1ccccc1 |r|
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:20.25.19:26,THB:21:20:22.23.27:26,23:22:19:25.24.26,23:24:21.22.27:19|
OC[C@]12CCC(=O)N1C[C@H](O)[C@@H](O)[C@@H]2O |r|
OC[C@]12CCCN1C[C@H](O)[C@@H](O)[C@@H]2O |r|
OCc1ccc(cc1)-c1cn(C[C@H]2NC[C@@H](O)[C@H]2O)nn1 |r|
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1\C(=O)N(CC(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc12
O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r|
O[C@@H]1CN[C@H](Cn2cc(nn2)-c2ccccc2)[C@@H]1O |r|
O[C@@H]1COC[C@H]1O
O[C@H]1C=C[C@@H](O)[C@H](O)[C@H]1O |r,c:2|
O[C@H]1CNC[C@@H](O)[C@@H]1O |r|
O[C@H]1CNC[C@H](O)[C@@H](O)[C@@H]1O
O[C@H]1CNC[C@H]1O |r|
O[C@H]1COC[C@@H](O)[C@@H]1O
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O |r,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16.15.20:18|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCCC3CCCCC3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@@H]1O |r|
Oc1c(C=NCc2ccncc2)sc2ccccc12 |w:4.4|
Oc1c(Cl)c(N=CCc2ccccc2)c(O)c2ccccc12 |w:5.4|
Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12|
Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O
Oc1cc(Sc2nnc(o2)-c2ccccc2O)c(O)n1-c1ccccc1
Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
Oc1cc(Sc2nnnn2C2CCCCC2)c(O)n1-c1ccccc1
Oc1cc(c2ccccc2c1N=Nc1ccc2ccccc2c1O)S(O)(=O)=O |w:12.14|
Oc1cc(cc2cccnc12)[N+]([O-])=O
Oc1ccc(Cl)c2cccnc12
Oc1ccc(N=Nc2ccc3OCCOc3c2)c2ncccc12 |w:6.6|
Oc1ccc(N=Nc2cccc3c(cccc23)S(O)(=O)=O)c2cccnc12 |w:6.6|
Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
Oc1ccc(\C=C2\SC(=S)N(C2=O)c2cccnc2)cc1
Oc1ccc(cc1)N1C(=O)\C(=C\c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:23|
Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9|
Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
Oc1ccc2ccccc2c1N=Nc1c(O)cc(c2ccccc12)S(O)(=O)=O |w:11.12|
Oc1ccc2ccccc2c1N=Nc1ccccn1 |w:11.12|
Oc1ccc[c-](C[NH+]=Nc2ccc(cc2)[N+]([O-])=O)c1=O |w:8.8|
Oc1ccccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl
Oc1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1O
S=C(Nc1ccccc1)c1ccccn1
SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|
[#6]-[#6]-[#6]-[#6](=O)-[#7]1-c2ccccc2\[#6](=[#6]-2\[#16]-[#6](-[#6](=O)-[#8]-[#6])=[#6](-[#16]-2)-[#6](=O)-[#8]-[#6])-[#6](=S)C1([#6])[#6] |c:20|
[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-[#6](=S)-[#7]-[#6]-[#6]-c1ccccc1
[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#7]\[#6]=[#6]-1\[#6](=O)-[#7](-[#6]-[#6])-[#6](=S)-[#7](-[#6]-[#6])-[#6]-1=O
[#6]-c1c(-[#7]\[#7]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)c(=O)n(-c2ccccc2)n1-[#6]
[#6]C([#6])([#6])[#6]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]/[#7]-[#6](=S)-[#7]-[#6]-c1ccccc1
[#6]C1([#6])[#6]-[#6](=O)\[#6](=[#6]/[#7]-c2cccnc2-[#7]\[#6]=[#6]-2\[#6](=O)-[#6]C([#6])([#6])[#6]-[#6]-2=O)-[#6](=O)-[#6]1
[#6][Si;v4]([#6])([#6])[#6]-c1cn(-[#6]-[#6@@H]-2-[#7]-[#6]-[#6@@H](-[#8])-[#6@H]-2-[#8])nn1 |r|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc2cccc(-[#8]-[#6]-c3ccccc3)c2n1 |w:4.3|
[#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12|
[H]C12CC3([H])CC([H])(C1)C(C(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)C([H])(C2)C3 |TLB:10:9:5:1.8.2,THB:10:9:3.34.5:1.33.8,33:31:5:1.8.2,33:1:31.9.34:5,2:1:9:3.34.5,(1.92,.06,;2.25,1.56,;.74,1.49,;2.03,2.23,;3.04,1.07,;2.03,3.72,;3.32,4.46,;3.32,6,;2.25,3.17,;4.61,3.72,;5.69,4.81,;5.3,6.3,;7.18,4.41,;8.27,5.5,;9.76,5.1,;10.85,6.19,;12.37,5.95,;13.07,7.32,;11.98,8.41,;12.22,9.93,;13.66,10.48,;14.85,9.51,;13.9,12,;15.34,12.56,;15.58,14.08,;14.38,15.05,;14.62,16.57,;12.94,14.49,;12.7,12.97,;10.61,7.71,;9.23,8.41,;4.61,2.23,;6.08,1.78,;3.65,.83,;3.32,1.77,)|
[H]C12CC3([H])CC([H])(C1)CC(CCC(C)=NNC(N)=S)(C2)C3 |w:15.16,TLB:8:1:21:6.9.5,8:6:21:1.20.2,THB:5:6:20:3.21.2|
[H]C12CC3([H])CC([H])(C1)CC(CCN[C@H](CN[C@H](CNC)CC1CCCCC1)Cc1ccccc1)(C2)C3 |TLB:5:3:35:6.9.8,THB:2:3:9:1.35.8,5:6:35:3.36.2|
[H]C12[#6]=[#6]C([H])([#6]-3-[#6]1-[#6](=O)-[#7]-[#6]-3=O)\[#6]2=[#6](/c1ccc(-[#6])cc1)-c1ccc(-[#6])cc1 |c:2,TLB:11:6:13:2.3,THB:8:7:13:2.3|
[H][C@@]12CS\C(=N\CCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
[H][C@@]12CS\C(=N\CCCCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
[H][C@@]12CS\C(=N\CCCCCCCCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
[H][C@@]12CS\C(=N\CCCCCCCCCCCC)N1[C@@H](CO)[C@H](O)[C@H]2O |r|
[H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)S[C@@H]1C[C@@H](O)[C@@H](OC(C)C)O[C@@H]1CO |r|
[H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)S[C@@H]1C[C@H](O)[C@@H](OC(C)C)O[C@@H]1CO |r|
[H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)S[C@@H]1CO[C@@H](OCc2ccccc2)[C@@H](O)C1 |r|
[H][C@]1(O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)S[C@@H]1CO[C@@H](OCc2ccccc2)[C@H](O)C1 |r|
[H][C@]12CS\C(=N\CCCCCCCCCC)N1[C@H](CO)[C@@H](O)[C@@H]2O |r|
[H][C@]12CS\C(=N\CCCCCCCCCCCC)N1[C@H](CO)[C@@H](O)[C@@H]2O |r|
[H][C@]12C[C@@]3(CC[C@]4(C)C(=CCC5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]45C)[C@]3([H])C[C@@]1(C)CO)C(=O)O2 |c:8|
[O-][N+](=O)c1c[c-](Cc2ccccc2)cc(\C=[NH+]\c2ccc(cc2)N2CCOCC2)c1=O
[O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2ccccn2)c1=O |w:10.9|
[O-][N+](=O)c1cc(Cl)ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1
[O-][N+](=O)c1cc(c(s1)[N+]([O-])=O)-c1ncccn1
[O-][N+](=O)c1cc(cc(c1-n1nnc2ccccc12)[N+]([O-])=O)C#N |(11.73,-1.32,;10.22,-1.63,;9.74,-3.1,;9.19,-.49,;9.67,.98,;8.64,2.12,;7.13,1.8,;6.65,.34,;7.68,-.81,;7.2,-2.27,;8.1,-3.51,;7.2,-4.75,;5.75,-4.28,;4.41,-5.05,;3.08,-4.28,;3.08,-2.74,;4.41,-1.97,;5.75,-2.74,;5.19,.82,;4.87,2.33,;4.04,-.21,;9.12,3.59,;9.6,5.05,)|
[O-][N+](=O)c1cc(ccc1N1CCN(CC1)C(=S)NC(=O)c1cccs1)C(F)(F)F
[O-][N+](=O)c1cc(ccc1Oc1ccccc1C(=O)Nc1ccccc1Cl)C(F)(F)F
[O-][N+](=O)c1ccc(=O)[c-](C=[NH+]NC(=O)Nc2ccccc2)c1 |w:10.10|
[O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2ccccn2)c1 |w:10.9|
[O-][N+](=O)c1ccc(=O)[c-](C[NH+]=Nc2nnn[nH]2)c1 |w:10.9|
[O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)o1 |w:8.8,c:18|
[O-][N+](=O)c1ccc(N2CCCCC2)c(c1)C(=O)Nc1nnc(s1)C1CC1
[O-][N+](=O)c1ccc(N=[NH+]C[c-]2ccccc2=O)nc1 |w:7.6|
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1
[O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O |t:19,TLB:9:11:23:19.17,20:19:23:11.12,THB:13:12:23:19.17,18:17:23:11.12|
[O-][N+](=O)c1ccc(cc1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
[O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCCC1
[O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
[O-][N+](=O)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1ccccn1
[O-][N+](=O)c1ccc2C(=O)N(Cc3cccnc3)C(=O)c3cccc1c23
[O-][N+](=O)c1ccc2[N-]C(=O)\C(=[NH+]/NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)c2c1
[O-][N+](=O)c1ccc[c-](C[NH+]=Nc2ccc3ccccc3n2)c1=O |w:10.10|
[O-][N+](=O)c1cccc(\C=C(/C#N)C(=O)NCc2ccc(Cl)cc2)c1
[O-][N+](=O)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2nc(cs2)-c2cccs2)o1
[O-][N+](=O)c1ccccc1N1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:17|
[O-]c1c(I)cc2c(Oc3c(I)c([O-])c(I)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1I