721 SMILES Strings for Glutamate receptor ionotropic, NMDA 2A

Compound Name
SMILES String
OC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
c1ccc-2c(c1)NC(=O)c3n2c(nn3)S
Fc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Cc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1cc(Cl)cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1cc(cnc1C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12)C(F)(F)F
Cc1cnc(c(F)c1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
CN(C1CCN(CC(F)(F)c2ccc(C)cn2)CC1)c1ncnc2[nH]ccc12
Cc1cnc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ncc12)c1ccccn1
FC(F)(F)c1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Cc1ccc(cn1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)c1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FCc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccccn1
FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Fc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(CN1CCC(CC1)Nc1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Cc1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FC1(F)CN(CCc2ccccc2)CCC1Nc1ncnc2[nH]ncc12
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ccc34)C(F)(F)C2)cc1
CN(C1CCN(CCc2ccc(cc2)C(F)(F)F)CC1(F)F)c1ncnc2[nH]ncc12
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cn1
Cc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cn1
FC1(F)CN(CCc2ccc(Cl)cc2)CCC1Nc1ncnc2[nH]ncc12
Fc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Cc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Fc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)c(F)c1
Cc1n[nH]c2ncnc(NC3CCN(CCc4ccc(cc4)C(F)(F)F)CC3(F)F)c12
FC(F)(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ccc34)C(F)(F)C2)cn1
Fc1ccc(F)c(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)c1
FC(F)(F)c1cccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)c1
FC(F)c1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
FCc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Fc1cc(Cl)ccc1CCN1CCC(Nc2ncnc3[nH]ncc23)C(F)(F)C1
FC(F)(F)Oc1ccc(CCN2CCC(Nc3ncnc4[nH]ncc34)C(F)(F)C2)cc1
Cc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3nc4ccccn4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
FC1(F)CN(CC[C@@H]1CNc1nccn2cnnc12)C(=O)OCc1ccc(Cl)cc1 |r|
Fc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3cnc(C)cn3)C(F)(F)C2)cc1 |r|
COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cc1
COc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)c1
Cn1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccc(Cl)c(F)c1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cncs1
Cc1ccncc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Cc1nc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cs1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1cncs1
COc1ccc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cccnc1
COc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccncn1
Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cocn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NC1CCS(=O)(=O)C1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1cncs1
Cc1ncsc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Cc1nc(C)c(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cccs1
Cc1ccncc1CNC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1ccncn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1cocn1
Cc1nc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cs1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NC1CCS(=O)(=O)C1
Cn1cnc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)c1
Cc1ncc(s1)CNC(=O)c2cnc(cn2)CNS(=O)(=O)c3ccc(c(c3)Cl)F
CC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1)c1ccco1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cnco1
COc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccsc1
CN(C)CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
CN(C)CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
CN(C)CCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ccncc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1cccnc1
Cc1ccncc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
Cn1cnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)c1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1cocn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ccccn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1cnccn1
Cc1cnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cn1
Cn1ccnc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
CC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1)c1cccs1
Cn1cnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)c1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ccncn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1cccnc1
Cc1ncsc1CNC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1ccncc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1cnccn1
Cn1cccc1CNC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Cc1ccc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n1C
Cn1nccc1CNC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Cc1nc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cs1
Cc1nc(C)c(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)s1
Cc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)n1
Cn1cccc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
Cc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)n1C
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccoc1
Cn1nccc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
COc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)ccn1
COc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)cn1
Cc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1nccs1
Cn1cncc1CNC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ncccn1
COc1ccccc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1ccccn1
Cc1cnc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cn1
Cc1cccc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n1
CC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nc1)c1cncs1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1cncnc1
Cc1nnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ncccc1C(F)(F)F
CN(C)CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1cncs1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1ccccn1
Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)s1
C[C@@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1)c1cncs1 |r|
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccco1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccncc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cnccn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cncnc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ncccn1
Cc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ncccc1C(F)(F)F
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
COc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)ccn1
COc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cn1
Cn1cncc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Cc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Cn1cccc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccccn1
COc1ccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)cc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1ccco1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1ccncc1
Cc1ccncc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1cccs1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1ccncn1
Cn1cnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)c1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1cocn1
Cc1nc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)cs1
C[C@@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1)c1cncs1 |r|
Cc1ncsc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1
Cc1nc(C)c(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)s1
CC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1)c1ccco1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1ccoc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1cnccn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1ncccn1
CN(C)CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)cc1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1cccnc1
CC(NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)nn1)c1cccs1
Cc1cnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)cn1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nn1)C(=O)NCc1cncnc1
COc1cccc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nn2)c1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ccno1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1nccs1
Cc1csc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n1
Cc1nnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)o1
Cc1nnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1nccs1
Cc1csc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n1
C[C@@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1)c1cncs1 |r|
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1cncnc1
Cc1nc(C)c(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
COc1cc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)ccn1
Cn1ccnc1CNC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
Cc1ccc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Cc1nnc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)o1
Cc1nnc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)s1
Cc1cc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n(C)n1
COc1ccc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)cn1
Cc1nnc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)o1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1ccno1
Cn1nccc1CNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
CC(NC(=O)c1cnc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cn1)c1cnc(C)s1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1cnc(cn1)C(=O)NCc1ncccc1C(F)(F)F
Cc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)cn2)n(C)n1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NCc1ncc(cc1Cl)C(F)(F)F
Cc1csc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)n1
Cc1cc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)nc2)n(C)n1
Fc1ccc(cc1Cl)S(=O)(=O)NCc1ccc(cn1)C(=O)NC1CCS(=O)(=O)C1
Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccccc3F)cn2)s1
Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3F)cn2)s1
Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cn2)s1
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Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(Cl)c(Cl)c3)cn2)s1
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Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(Cl)nc3Cl)cn2)s1
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Cc1ncc(CNC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(F)c3)cn2)s1
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)NCc1ccc(nc1)C(=O)NCc1cnc(C)s1
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Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3cc(Cl)cc(Cl)c3)c(C)n2)s1
CCc1nc(cnc1CNS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCc1cnc(C)s1
Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3cccc(Cl)c3)c(C)n2)s1
Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)cc3)c(C)n2)s1
Cc1c(ncc(n1)C(=O)NCc2cnc(s2)C)CNS(=O)(=O)c3ccc(c(c3)F)F
Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3ccc(F)c(Cl)c3)c(n2)C(F)(F)F)s1
Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3nc4ccccn4n3)C(F)(F)C2)cc1 |r|
Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
C[C@H](CCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:14|
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C[C@H](CCC1(O)CCOC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:17|
CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:15|
CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:15|
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C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
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C[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:13|
C[C@H](CC[C@@]1(O)CCOC1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
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C[C@H](CC[C@](C)(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:17|
C[C@H](CC[C@@H](O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:16|
C[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:13|
C[C@H](CC[C@@H](O)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:16|
C[C@H](CC[C@@]1(O)CCOC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:17|
C[C@H](CC[C@]1(O)CCOC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:17|
C[C@H](CC[C@H](O)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r,t:16|
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CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
C[C@H]([C@@H](O)C[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC[C@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:15|
C[C@H]([C@H](O)C[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)Cc5ccccc5)[C@@]4(C)CC[C@H]23)C1 |r|
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CCC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC[C@]1(O)CC[C@@H]2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CCC(C)C |r,c:20|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@H](O)CC1CCCC1 |r,c:21|
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CC1CCC(C)(C)CC1 |r,c:21|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@H](O)CCC(C)C |r,c:21|
CC[C@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CC5CCC(C)(C)CC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CC5CCCC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CCC1CC1 |r,c:21|
CCC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](O)(CC)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:13|
CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:15|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CCC(C)C |r,c:21|
C[C@H]([C@@H](O)C[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C(F)(F)F |r|
CC[C@]1(O)CC[C@H]2[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CC5CCCC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CC5CCC(C)(C)CC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CC5CCCC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](O)CC5CCCC5)[C@@]4(C)CC[C@H]23)C1 |r|
CC[C@]1(O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)[C@@H](O)CC1CCCC1 |r,c:21|
Cc1ccc(COC(=O)C2CC[C@H](CNc3cccc4nncn34)C(F)(F)C2)cc1 |r|
CCc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
COc1cc(CC(C)N)c(OC)cc1Br
CNC(C)Cc1ccc2c(c1)OCO2
COc1cc(cc(c1OC)OC)CCN
COc1cc(CCN)c(OC)cc1Br
CCc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CCN)cc1OC
CCSc1cc(OC)c(CC(C)N)cc1OC
CCOc1cc(OC)c(CC(C)N)cc1OC
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1
CC(C)N(CCc1c[nH]c2ccccc12)C(C)C
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
CCCN(CCC)CCc1c[nH]c2ccccc12
CCSc1cc(OC)c(CC(N)CC)cc1OC
CN(C)CCc1c[nH]c2cc(F)ccc12
COc1cc(CC(C)N)c(OC)cc1C
COc1cc(CC(C)N)cc(OC)c1OC
CCc1cc(OC)c(CC(C)N)cc1OC
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
C[C@@H]1C[C@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
C[C@@H]1C[C@@H](C)N1C(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
COc1ccc2[nH]c(C)c(CCN(C)C)c2c1
CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC
C(CN1CCC(Cc2ccccc2)CC1)Sc1nnc[nH]1
Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1
Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)s1
C(CSc1nc2ccccc2[nH]1)CN1CCC(Cc2ccccc2)CC1
Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)[nH]1
C(CSc1nc2ncccc2[nH]1)CN1CCC(Cc2ccccc2)CC1
C(CN1CCC(Cc2ccccc2)CC1)Sc1nc2ncccc2[nH]1
[O-][N+](=O)c1ccc2nc(SCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1
Cc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1
Cc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)[nH]1
C(CN1CCC(Cc2ccccc2)CC1)Sc1ccccc1
Nc1nnc(SCCCN2CCC(Cc3ccccc3)CC2)[nH]1
[O-][N+](=O)c1ccc2nc(SCCCN3CCC(Cc4ccccc4)CC3)[nH]c2c1
C(CSc1ccccc1)CN1CCC(Cc2ccccc2)CC1
Oc1ccc(cc1)C#CCCN1CCC(Cc2ccccc2)CC1
Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)s1
C(CN1CCC(Cc2ccccc2)CC1)Sc1ncc[nH]1
Nc1nnc(SCCN2CCC(Cc3ccccc3)CC2)[nH]1
Oc1ccc(SCCN2CCC(Cc3ccccc3)CC2)cc1
C(CN1CCC(Cc2ccccc2)CC1)Sc1nc2ccccc2[nH]1
C(CSc1nnc[nH]1)CN1CCC(Cc2ccccc2)CC1
C(CSc1ncc[nH]1)CN1CCC(Cc2ccccc2)CC1
Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
Cc1cc(C)cc(CN=C(N)c2ccc(OC(F)(F)F)cc2)c1 |w:8.7|
NC(=NCc1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1ccccc1OC(F)(F)F)c1ccc(Cl)c(Cl)c1 |w:2.2|
NC(=NCc1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1 |w:2.2|
NC(=NCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 |w:2.2|
CCCCCNC1=NCCN1OCc1ccccc1 |t:6|
C(Cc1ccc(OCc2ccccc2)cc1)Nc1ccncc1
O=C(OCc1ccccc1)N1CCC(CNc2ccncc2)CC1
N[C@]1(C[C@H]1CP(O)(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CN)[C@@H](C)CC)[C@@H](C)CC)C(O)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#16])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](-[#8])=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](-[#7])=O |r|
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C(O)=O)C(O)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CCC(O)=O)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C(O)=O)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(N)=O |r|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6](-[#8])=O)-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6](-[#8])=O)-[#6@@H](-[#6])-[#6]-[#6])-[#6](-[#8])=O |r|
CCCCCNC1=NCCN1OCCc1ccccc1 |t:6|
C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4
CC(CC(=N)C(O)=O)CP(O)(O)=O
C(C[C@@H](C(=O)O)N)CP(=O)(O)O
N[C@H](CC(=O)CP(O)(O)=O)C(O)=O
CCCC(CC(=N)C(O)=O)CP(O)(O)=O
OC(=O)[C@@H]1C[C@H](CP(O)(O)=O)CCN1
NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|
NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|
[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|
NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O
[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(c2)C(F)(F)F)c2ccccc2[nH]c1=O |c:8|
COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
Cc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:10|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cccc(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(cc2)C(F)(F)F)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(cc2)C#N)c2ccccc2[nH]c1=O |c:8|
COc1ccc(cc1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
OC(=O)CCC(=O)N1N=C(C[C@@H]1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |r,c:8|
OC(=O)CCC(=O)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |r,c:8|
OC(=O)CCCN1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:7|
NC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:9|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:9|
OC(=O)C=CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |w:3.2,c:8|
OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
OC(=O)C=CC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |w:4.4,c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cc(Cl)cc(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2cc(F)cc(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)c(F)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)c(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)c(Cl)c2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)c(F)c2)c2ccccc2[nH]c1=O |c:8|
Cc1ccc(cc1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:10|
OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccccc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)c2ccccc2[nH]c1=O |c:8|
COc1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
OC(=O)CCC(=O)N1N=C(CC1c1ccc(F)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:8|
[H]/N=C(/N)\N/N=C/c1ccc(cc1)Cl
COc1ccc(C=NNC(N)=N)c(OC)c1
CC(C)(C)c1ccc(C=NNC(N)=N)cc1
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:10.9,5.5|
NC(=N)NN=Cc1ccc2[nH]ccc2c1
NC(=N)NN=Cc1cc2ccccc2[nH]1
NC(=N)NN=Cc1ccncc1
NC(=N)NN=Cc1ccc[nH]1
NC(=N)NN=Cc1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
NC(=N)N\N=C\c1ccc2OCOc2c1
NC(=N)NN=Cc1cccc2ccccc12
NC(=N)NN=Cc1ccc(F)cc1F
NC(=N)NN=Cc1ccc(F)cc1
NC(=N)NN=Cc1ccc(Cl)cc1Cl
NC(=N)NN=Cc1cccc(Cl)c1
COc1ccc(C=NNC(N)=N)cc1O
NC(=N)NN=Cc1cccc(c1)[N+]([O-])=O
NC(=N)NN=Cc1ccc(N)cc1
COc1ccc(C=NNC(N)=N)cc1
NC(=N)NN=Cc1ccc(O)cc1O
NC(=N)NN=Cc1ccccc1C(F)(F)F
NC(=N)NN=Cc1ccc(cc1)C#N
NC(=N)NN=Cc1cccc(c1)C#N
CCCCc1ccc(C=NNC(N)=N)cc1
NC(=N)NN=Cc1ccccc1-c1ccccc1
Cc1ccc(C=NNC(N)=N)c2ccccc12
NC(=N)NN=Cc1ccccc1Cl
NC(=N)NN=Cc1ccc(cc1)[N+]([O-])=O
NC(=N)NN=CC=Cc1ccccc1
Cc1ccc2ccccc2c1C=NNC(N)=N
CC(C)c1ccc(C=NNC(N)=N)cc1
Cc1ccc(C=NNC(N)=N)cc1
Cc1ccc2cc(C=NNC(N)=N)[nH]c2c1
NC(=N)NN=Cc1cccnc1
NC(=N)NN=Cc1ccc2ccccc2c1
COc1ccc(C=NNC(N)=N)cc1[N+]([O-])=O
NC(=N)NN=Cc1cccc(N)c1
COC(=O)c1cccc(C=NNC(N)=N)c1
NC(=N)NN=Cc1ccccc1
CN(C)c1ccc(C=NNC(N)=N)cc1
COC(=O)c1ccc(C=NNC(N)=N)cc1
Cn1c(C=NNC(N)=N)cc2ccccc12
NC(=N)NN=Cc1ccsc1
NC(=N)NN=Cc1ccccc1F
COc1ccccc1C=NNC(N)=N
CCN1CCc2c(C1)c1ccccc1n2CCC(=O)N1c2ccccc2Sc2ccccc12
Cc1ccc2[nH]c3CCN(CCCCCN4CCc5[nH]c6ccc(C)cc6c5C4)Cc3c2c1
Cc1ccc2[nH]c3CCN(CCCCCCN4CCc5[nH]c6ccc(C)cc6c5C4)Cc3c2c1
CN[C@]1(CCCCC1=O)c2ccccc2Cl
CC1CCC2C(C1)c1cc(C)ccc1N2c1c(nc2c(C)cccn12)C(F)(F)F
CN(C(=O)CCN1C2CCN(C)CC2c2cc(C)ccc12)c1c(nc2ccc(C)cn12)C(F)(F)F
CCCc1nnc2n1c1cc(Cl)c(Cl)cc1[nH]c2=O
Clc1cc2[nH]c(=O)c3nncn3c2cc1Cl
Clc1cc2[nH]c(=O)c3nccn3c2cc1Cl
Cc1cc2[nH]c(=O)c(=O)n(CC(O)=O)c2cc1C
OC(=O)Cn1c2cc(Cl)c(Cl)cc2[nH]c(=O)c1=O
Cc1cc2[nH]c(=O)c(=O)n(CP(O)(O)=O)c2cc1C
OC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Brc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23 |r|
C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(C1CC(=O)Nc1ccccc1)c23 |r|
CC[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23 |r|
OC(=O)CC1CCc2cc(Cl)cc3[nH]c(=O)c(=O)n1c23
Clc1cc2CCC(CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(O)=O)c23
C[C@H]1Cc2cc(Cl)cc3[nH]c(=O)c(=O)n(C1CC(=O)Nc1ccccc1)c23
Brc1cc2CC[C@@H](CC(=O)Nc3ccccc3)n3c2c(c1)[nH]c(=O)c3=O
OC(=O)C[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
OC(=O)C[C@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23
Brc1cc(CNC(=O)c2cccs2)c2[nH]c(=O)c(=O)[nH]c2c1
Brc1cc(CNC(=O)c2ccsc2)c2[nH]c(=O)c(=O)[nH]c2c1
Brc1cc(CNC(=O)Cc2ccsc2)c2[nH]c(=O)c(=O)[nH]c2c1
CCCn1cnc(Cc2c(Cl)c(Cl)cc3nc(O)c(O)nc23)c1
CCC(c1c(Cl)c(Cl)cc2nc(O)c(O)nc12)n1cnnc1
OC(=O)c1nc2n(n1)c1cc(Cl)c(Cl)cc1[nH]c2=O
OC(=O)c1nc2c(O)nc3cc(Cl)c(cc3n2n1)-n1cccc1
OC(=O)c1nc2c(O)nc3cc(Cl)c(cc3n2n1)-n1ccc(C=O)c1
OC(=O)c1cc2c3cc(Cl)c(Cl)cc3[nH]c(=O)n2n1
OC(=O)c1cc2c3cc(c(Cl)cc3[nH]c(=O)n2n1)-n1cnnc1
OC(=O)c1nc2n(n1)c1cc(c(Cl)cc1[nH]c2=O)-n1cnnc1
OC(=O)c1ccccc1\C=C\c1ccc2[nH]c(=O)c(=O)[nH]c2c1
OP(O)(=O)CCCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
OP(O)(=O)CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
OP(O)(=O)C\C=C\c1ccc2[nH]c(=O)c(=O)[nH]c2c1
OC(=O)CNS(=O)(=O)c1ccc2nc(O)c(O)nc2c1
OC(=O)Cc1cccc(c1)-c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Cc1ccc(cc1-c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(O)=O
OC(=O)c1cc(ccc1Cl)-c1ccc2[nH]c(=O)c(=O)[nH]c2c1
OP(O)(=O)c1cccc(c1)-c1ccc2[nH]c(=O)c(=O)[nH]c2c1
OC(=O)c1ccc(cc1)-c1ccc2[nH]c(=O)c(=O)[nH]c2c1
NCCCCCCNC1(CCCCC1)c1ccccc1
CCN(Cc1ccc(s1)C(=O)N1CCC[C@@H]1C#N)c1ccc(F)cc1 |r|
FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@@H]4C#N)c(sc3n2)C(F)(F)F)n1 |r|
FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@@H]4C#N)c(Cl)ccc3n2)n1 |r|
CC12CC3CC(C)(C1)CC(C3)(C2)NC(=O)\C=C\c1ccc(cc1)C(=O)NO |TLB:4:5:11:2.3.10,4:3:11:8.5.7,0:1:8:3.10.4,THB:2:1:8:3.10.4,2:3:8:11.7.1,6:5:11:2.3.10|
Nc1c(NCCCP(O)(O)=O)c(=O)c1=O
Nc1c(NCCP(O)(O)=O)c(=O)c1=O
OP(O)(=O)CCN1CCCNc2c1c(=O)c2=O
C(CC(=O)O)[C@@H](C(=O)O)N
CCN(Cc1ccn(CC2CC2)c(=O)c1)c1ccc(F)cc1
CCN(Cc1cc(C)n(CC2CC2)c(=O)c1)c1ccc(F)cc1
CCN(Cc1cc(CC)n(CC2CC2)c(=O)c1)c1ccc(F)cc1
CCCc1cc(CN(CC)c2ccc(F)cc2)cc(=O)n1CC1CC1
CCN(Cc1cc(=O)n(CC2CC2)c(C)n1)c1ccc(F)cc1
CCN(Cc1cc(C)n(CC2CCC2)c(=O)c1)c1ccc(F)cc1
CCN(Cc1cc(C)n(Cc2ccccc2)c(=O)c1)c1ccc(F)cc1
CCN(Cc1cc(C)n(CC2(CC2)C#N)c(=O)c1)c1ccc(F)cc1
CCN(Cc1cc(C)n(C[C@@H]2C[C@H]2C#N)c(=O)c1)c1ccc(F)cc1 |r|
CCN(Cc1cc(C)n(C[C@H]2C[C@@H]2C#N)c(=O)c1)c1ccc(F)cc1 |r|
CCN(Cc1cc(C)n(CCCC#N)c(=O)c1)c1ccc(F)cc1
Cc1cc(Cc2cccc(Cl)c2)cc(=O)n1C[C@H]1C[C@@H]1C#N |r|
Cc1cc(Cc2cccc(Br)c2)cc(=O)n1C[C@H]1C[C@@H]1C#N |r|
Cc1cccc(Cc2cc(C)n(C[C@H]3C[C@@H]3C#N)c(=O)c2)c1 |r|
Cc1cc(Cn2nc(Cl)cc2Cl)cc(=O)n1C[C@H]1C[C@@H]1C#N |r|
Cc1cc(Cn2nc(Br)cc2Cl)cc(=O)n1C[C@H]1C[C@@H]1C#N |r|
Cc1cc(Cn2nc(cc2Cl)C(F)F)cc(=O)n1C[C@H]1C[C@@H]1C#N |r|
Cc1cc(Cn2nc(cc2Cl)C(F)(F)F)cc(=O)n1C[C@H]1C[C@@H]1C#N |r|
CC(c1ccncc1)n1[nH]c(=O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O
Clc1ccc2c(c1)[nH]c1c(c(=O)n(Cc3ccncc3)[nH]c1=O)c2=O
CN1CCc2c(C1)c1cc(C)ccc1n2CC(O)Cn1c2ccccc2c2ccccc12
CCN1CCc2c(C1)c1cc(C)ccc1n2CC(O)Cn1c2ccccc2c2ccccc12
CO[C@H](C)CN1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C |TLB:4:5:19:10.16.17|
Nc1nccn1Cc1cn(nn1)-c1ccc(Cl)c(c1)C(=O)C(F)F
FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncccn2)nn1
COCc1ccnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)n1
C[C@@H](C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3