583 SMILES Strings for Inhibitor of nuclear factor kappa-B kinase subunit alpha

Compound Name
SMILES String
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CNc1nc2cc3ccccc3cc2n2c(C)cnc12
CNCCNc1nc2cc3ccccc3cc2n2c(C)cnc12
Cc1cnc2c(NCCO)nc3cc4ccccc4cc3n12
Cc1cnc2c(NCCN3CCCCC3)nc3cc4ccccc4cc3n12
CNc1nc2cc3ccccc3cc2c2c(C)cnn12
CNc1nc2cc3ccccc3cc2c2n(C)cnc12
Cn1cnc2c(NCCN)nc3cc4ccccc4cc3c12
Cc1cnc2c(NCCN)nc3ccsc3n12
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1nccs1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccoc1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1c[nH]cn1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccc[nH]1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cn[nH]c1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccn1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccnc1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccncc1
COc1ccccc1-c1cc2nc(NCCN)c3ncc(C)n3c2s1
COc1cccc(c1)-c1cc2nc(NCCN)c3ncc(C)n3c2s1
COc1ccc(cc1)-c1cc2nc(NCCN)c3ncc(C)n3c2s1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccccc1CO
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CO)c1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccc(CO)cc1
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1cccc(CCO)c1
COc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
CNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
Cc1cnc2c(N)nc3cc(sc3n12)-c1ccccc1
CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
CN(C)CCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
Cc1cnc2c(NCC(N)=O)nc3cc(sc3n12)-c1ccccc1
Cc1cnc2c(NCCNC=O)nc3cc(sc3n12)-c1ccccc1
CC(=O)NCCNc1nc2cc(sc2n2c(C)cnc12)-c1ccccc1
Cc1cnc2c(NCCN3CCCCC3)nc3cc(sc3n12)-c1ccccc1
Cc1cnc2c(NCCO)nc3cc(sc3n12)-c1ccccc1
CNc1nc2ccsc2n2c(C)cnc12
CNc1nc2cc(C)sc2n2c(C)cnc12
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CN)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNC(C)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNC(N)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNS(N)(=O)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CNCC(N)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCN)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(C)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNC(N)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNS(N)(=O)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCNCC(N)=O)c1
CNC(=O)CNCCc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(O)=O
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(c1)C(N)=O
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CC(N)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCC(O)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CCC(N)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(CC(N)C(O)=O)c1
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(C[C@@H](N)C(N)=O)c1 |r|
CNc1nc2cc(sc2n2c(C)cnc12)-c1cccc(C[C@H](N)C(N)=O)c1 |r|
CNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1
CCNC(=O)C(N)Cc1cccc(c1)-c1cc2nc(NC)c3ncc(C)n3c2s1
COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC
CNC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(C)(=O)=O)-c1ccc(F)cc1
CNC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
NC(=O)c1cc(ccc1N)-c1ccccc1
NC(=O)c1cc(ccc1N)-c1ccc(F)cc1
NC(=O)c1cc(cc(c1N)-c1ccncc1)-c1ccc(F)cc1
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)N1CCCC1)-c1ccc(F)cc1
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccc(Cl)cc1
CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
CS(=O)(=O)Nc1cccc(c1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccccc1
NC(=O)c1cc(cc(-c2cccc(c2)S(N)(=O)=O)c1N)-c1ccccc1
NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
CN(C)c1cccc(c1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
NC(=O)c1cc(cc(-c2ccc(cc2)S(N)(=O)=O)c1N)-c1ccncc1
CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(N)(=O)=O
CS(=O)(=O)c1ccc(cc1)-c1cc(C(N)=O)c(N)c(c1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
COc1ccc(cc1C(N)=O)-c1ccncc1
COc1c(cc(cc1-c1ccncc1)-c1ccccc1)C(N)=O
COc1c(cc(cc1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1)C(N)=O
COc1c(cc(cc1-c1ccccc1)-c1ccncc1)C(N)=O
NC(=O)c1cc(ccc1O)-c1ccncc1
NC(=O)c1cc(cc(c1O)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
CS(=O)(=O)Nc1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccccc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1O)-c1ccncc1
CN(C)CCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1)-c1ccccc1
NCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NC1CC1)-c1ccccc1
NC(=O)c1cc(cc(c1N)-c1ccc(cc1)S(=O)(=O)NCCN1CCCC1)-c1ccccc1
CNc1nc2cc(nn2c2n(C)cnc12)-c1ccccc1
CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1
CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1
CNc1nc2n(C)c(nc2c2n(C)cnc12)-c1ccccc1
CNc1nc2sc(SC)nc2c2n(C)cnc12
CNc1nc2sc(nc2c2n(C)cnc12)S(C)(=O)=O
CNc1nc2c(nc(NC)c3ncn(C)c23)s1
CNc1nc2sc(nc2c2n(C)cnc12)N1CCC=CC1 |c:21|
CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCC1
CNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
CCN(CC)C(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
CCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Cn1cnc2c(N)nc3sc(nc3c12)-c1ccc(F)cc1
CC(=O)NCCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Cn1cnc2c(NCCNCCO)nc3sc(nc3c12)-c1ccc(F)cc1
Cn1cnc2c(NCCN3CCCCC3)nc3sc(nc3c12)-c1ccc(F)cc1
CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNC(C)=O)c1
CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1
CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1
CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1
CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2ccno2)c1
CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1
NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
NS(=O)(=O)Cc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
NCc1cccc(c1)-c1cc2ccncc2cc1OC1CCNCC1
NCc1ccc(cc1)-c1cc2ccncc2cc1OC1CCNCC1
C1CC(CCN1)Oc1cc2cnccc2cc1-c1ccccc1
Brc1cc2ccncc2cc1OC1CCNCC1
CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br
CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1Br
CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1
CC(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O
CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccccc1
CCS(=O)(=O)N1CCC(CC1)Oc1cc2cnccc2cc1-c1ccc(cc1)S(N)(=O)=O
C1CC(CCN1)Oc1ccc2ccncc2c1
C1CNCC(C1)Oc1cc2cnccc2cc1-c1ccccc1
C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCCNC1
NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OC1CCCNC1
NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCCNC1
C(Oc1cc2cnccc2cc1-c1ccccc1)C1CCNCC1
NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCC1CCNCC1
CN(C)CCCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1
CCS(=O)(=O)N1CCC(COc2cc3cnccc3cc2-c2ccccc2)CC1
C(Oc1cc2cnccc2cc1-c1ccccc1)c1cccnc1
C(Oc1cc2cnccc2cc1-c1ccccc1)c1ccncc1
NS(=O)(=O)c1cccc(c1)-c1cc2ccncc2cc1OCc1ccccc1
NS(=O)(=O)c1ccc(cc1)-c1cc2ccncc2cc1OCc1ccccc1
OC(=O)\C=C\c1ccc2c(onc2c1)-c1ccccc1
Nc1c([nH]c2nc3\C(CCc3c(-c3ccco3)c12)=C\c1ccco1)C(=O)c1ccccc1
CCOc1ccc(NCc2ccc(O)c3ncccc23)cc1
Oc1nc(nc(-c2ccc3OCOc3c2)c1C#N)N1CCCCC1
OC(=O)CCCCCN1C(=O)N\C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)C1=O
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)(O)C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1
CC(C)(O)C#Cc1cc2c(cn(CC3CCOC3)c2cn1)-c1cn[nH]c1
CCn1cc(-c2c[nH]nc2N)c2cc(ncc12)C#CC(C)(C)O
Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)C#Cc1cc2c(cn(CCCO)c2cn1)-c1cn[nH]c1
OC1(CCCC1)C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1
CC(O)(C#Cc1cc2c(c[nH]c2cn1)-c1cn[nH]c1)c1nccs1
Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1
CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1
CC(C)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)C#Cc1cc2c(cn(CCO)c2cn1)-c1cn[nH]c1
OCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC1(O)CCCC1
CC(C)(O)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(O)c1nccs1
COCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)C#Cc1cc2c(cn(CC3COC3)c2cn1)-c1cn[nH]c1
COCCCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CN1CCC(CC1)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)CCn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)Cn1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)C#Cc1cc2c(cn(Cc3ccccc3)c2cn1)-c1cn[nH]c1
CCCC(C)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CCC(CC)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)C#Cc1cc2c(cn(c2cn1)S(C)(=O)=O)-c1cn[nH]c1
CCn1cc(-c2c[nH]nc2C)c2cc(ncc12)C#CC(C)(C)O
CCn1cc(-c2c[nH]nc2C#N)c2cc(ncc12)C#CC(C)(C)O
CC(C)(O)Cn1cc(-c2c[nH]nc2C#N)c2cc(ncc12)C#CC(C)(C)O
CN1CC(C1)n1cc(-c2cn[nH]c2)c2cc(ncc12)C#CC(C)(C)O
COc1ccc2[nH]c3cnccc3c2c1
[O-][N+](=O)c1cc(Cl)cc2c1[nH]c1cnccc21
Clc1cc(NC(=O)c2ccncc2)c2[nH]c3cnccc3c2c1
Clc1cc(NC(=O)N2CCOCC2)c2[nH]c3cnccc3c2c1
Nc1cc(Cl)cc2c3cc[nH]cc3nc12
Clc1cc(NC(=O)c2ccccn2)c2[nH]c3cnccc3c2c1
c1ccc2c(c1)c3ccncc3[nH]2
Fc1ccc2[nH]c3cnccc3c2c1
Brc1ccc2[nH]c3cnccc3c2c1
Clc1ccc2[nH]c3cnccc3c2c1
N#Cc1ccc2[nH]c3cnccc3c2c1
Clc1cc(NC(=O)c2ccccc2)c2[nH]c3cnccc3c2c1
COC(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
COc1ccc(cc1)C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
COc1ccc2[nH]c3cnccc3c2c1Br
Clc1cc(NC(=O)Cc2ccccn2)c2[nH]c3cnccc3c2c1
OCCCC(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
COc1cccc(c1)C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
CNC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
CN(C)c1cc(Cl)cc2c3cc[nH]cc3nc12
Clc1cc2c3cc[nH]cc3nc2c(Cl)c1OC(=O)N1CCOCC1
Oc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl
Clc1cc2c(nc3c[nH]ccc23)c(Cl)c1OCC1CC1
Clc1cc2c(nc3c[nH]ccc23)c(Cl)c1OCC1CCCCC1
CNc1cc(Cl)cc2c3cc[nH]cc3nc12
COc1ccccc1C(=O)Nc1cc(Cl)cc2c3cc[nH]cc3nc12
CCOc1c(Cl)cc2c(nc3c[nH]ccc23)c1Cl
Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Clc1cc(Cl)c2[nH]c3cnccc3c2c1
COc1c(Cl)cc2c3cc[nH]cc3nc2c1Cl
FC(F)(F)c1ccc2[nH]c3cnccc3c2c1
Clc1cc(NS(=O)(=O)c2ccccc2)c2[nH]c3cnccc3c2c1
CS(=O)(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
CC(=O)Nc1cc(Cl)cc2c1nc1c[nH]ccc21
Clc1cc(NCc2ccccc2)c2[nH]c3cnccc3c2c1
COc1cc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc(OC)c1OC
Fc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1F
NC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
NC(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
Clc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
CC(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)C#N)n1
CC(=O)c1cc2cc(ccc2o1)-c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
COc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
Cc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
CS(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
[O-][N+](=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
CS(=O)(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2cccc(c2)C#N)n1
CS(=O)(=O)Nc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)-c2ccc3ncsc3c2)n1
CC(=O)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
FC(F)(F)c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
NC(=O)c1c[nH]c2ccc(cc12)-c1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
CCCCc1ccc(Nc2nccc(n2)-c2ccc(cc2)S(=O)(=O)N2CCNCC2)cc1
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
CN(C)CCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
CC(C)(N)C#Cc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
CCC(N)(CC)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
O=C(NCCN1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
COc1cc(Nc2nccc(n2)-c2cc3ccccc3s2)ccc1C(=O)N1CCC(CC1)N1CCCC1
OCCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
OC(=O)c1ccccc1Nc1nccc(n1)-c1cc2ccccc2s1
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
CC(C)(N)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
CC(C)(O)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
Nc1nc(cc(C2CCCNC2)c1C#N)-c1ccccc1O
Nc1nc(cc(C2CCNCC2)c1C#N)-c1c(O)cccc1OCC1CC1
CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N
NC(=O)c1sc2ncccc2c1N
NC(=O)c1nc(oc1N)-c1ccc(cc1)C(F)(F)F
Cc1cc(C)c2c(N)c(sc2n1)C(N)=O
NC(=O)c1sc(cc1N)-c1ccccc1
NC(=O)c1nc(oc1N)-c1ccccc1
NC(=O)c1sc(cc1N)-c1ccc(F)cc1
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCOC)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(OC)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1ccc(F)cc1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1ccccc1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1ccccc1F
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(c1)C#N
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(F)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CN)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CO)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CN(C)C)c1
CNc1nc2[nH]c(cc2c2n(C)cnc12)-c1cccc(CNC(=O)CCC(N)=O)c1
COCCCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Cn1nc(C(N)=O)c2CCc3cnc(NC4CCN(CC4)C(=O)c4ccccc4)nc3-c12
CC(=O)N1CCC(CC1)Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
CNC(=O)c1nn(C)c-2c1CCc1cnc(NC3CCN(CC3)C(=O)C3CCN(CC3)S(C)(=O)=O)nc-21
CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
O=C(NC[C@@H]1CCCN1)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12 |r|
Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)cc1Cl |r|
CC(CN(C)C)NC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1 |r|
Clc1ccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NCCN4CCCC4)n3n2)cc1Cl
CCN(CC)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
CN(C)CCNC(=O)c1ccc(cc1)-c1cnc2ccc(NCC3CC3)nn12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@H](C)NC(C)=O |r|
CC(=O)NCc1cc(ccc1F)-c1cc2nc(NC3CC3)c3ncn(C)c3n2n1
CCNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@H](C)NC(C)=O |r|
NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccccc3)C2)c1C(N)=O
NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3)C2)c1C(N)=O
NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(N)cc3F)C2)c1C(N)=O
COc1ccc(CN2CCCC(C2)n2cc-3c(CCc4c-3sc(NC(N)=O)c4C(N)=O)n2)c(F)c1
NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(F)cc3F)C2)c1C(N)=O
NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3F)C2)c1C(N)=O
Nc1n[nH]c2cc(ccc12)-c1ccnc(N)n1
CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1 |r|
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
NS(=O)(=O)N1CCC(CC1)Nc1nccc(n1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(NC2CCNCC2)n1
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C
c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)N6CCCC6
Clc1cc(Nc2nccc(n2)-c2cc3ccccc3s2)ccc1C(=O)N1CCC(CC1)N1CCCC1
OC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
CC(=O)NC(C)(C)CCc1ccc(s1)-c1ccnc(Nc2ccc(cc2)C(=O)N2CCC(CC2)N2CCCC2)n1
NCCNC(=O)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
O=C(N1CCCC1)c1ccc(Nc2nccc(n2)-c2cc3ccccc3s2)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Nc1nc(cc(-c2cccc(NC(=O)C3CCC(=O)O3)c2)c1C#N)-c1ccccc1O
Nc1nc(cc(-c2cccc(NC(=O)CCN3CCCCC3)c2)c1C#N)-c1ccccc1O
Nc1nc(-c2ccc(CO)cc2)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
Nc1nc(Cl)c2c(c[nH]c2n1)C#N
CNc1nc(N)nc2[nH]cc(C#N)c12
Nc1nc(NCC2CC2)c2c(c[nH]c2n1)C#N
CN(C1CCCCC1)c1nc(N)nc2[nH]cc(C#N)c12
Nc1nc(Nc2ccccc2)c2c(c[nH]c2n1)C#N
NC(=O)c1ccc(Nc2nc(N)nc3[nH]cc(C#N)c23)cc1
Nc1nc(NCc2ccccc2)c2c(c[nH]c2n1)C#N
Nc1nc(NCCN2CCOCC2)c2c(c[nH]c2n1)C#N
Nc1nc(N2CCCCC2)c2c(c[nH]c2n1)C#N
Nc1nc(N2CCC(CC2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
Nc1nc(N2CCOCC2)c2c(c[nH]c2n1)C#N
Nc1nc(N2CCN(CC2)c2ccccc2)c2c(c[nH]c2n1)C#N
Nc1nc(N2CCN(CCO)CC2)c2c(c[nH]c2n1)C#N
Nc1nc(N2CC[C@@H](O)C2)c2c(c[nH]c2n1)C#N |r|
Nc1nc(N2CC[C@H](O)C2)c2c(c[nH]c2n1)C#N |r|
Nc1nc(N2CCC[C@@H]2CO)c2c(c[nH]c2n1)C#N |r|
Nc1nc(N[C@H]2CC[C@H](O)CC2)c2c(c[nH]c2n1)C#N |r,wU:5.4,wD:8.8,(53.68,-39.68,;55.01,-38.91,;55.02,-37.37,;56.34,-36.6,;56.34,-35.07,;55.08,-34.16,;53.68,-34.81,;52.43,-33.9,;52.58,-32.36,;51.34,-31.46,;53.99,-31.73,;55.24,-32.63,;57.68,-37.37,;59.14,-36.88,;60.05,-38.12,;59.15,-39.37,;57.68,-38.91,;56.35,-39.68,;59.6,-35.42,;60.07,-33.96,)|
Nc1nc(N(CCO)C2CCCCC2)c2c(c[nH]c2n1)C#N
Nc1nc(N[C@@H]2CC[C@@H](O)[C@H]2O)c2c(c[nH]c2n1)C#N |r|
Nc1nc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccc(O)cc2)c2c(c[nH]c2n1)C#N
NC(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
CNS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(N)nc3[nH]cc(C#N)c23)cc1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
Nc1nc(-c2cccc(F)c2)c2c(c[nH]c2n1)C#N
NC(=O)c1cccc(c1)-c1nc(N)nc2[nH]cc(C#N)c12
Nc1nc(-c2cccc(c2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccccc2O)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccccc2F)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccccc2CO)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccccc2S(N)(=O)=O)c2c(c[nH]c2n1)C#N
Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2cc[nH]c2n1
NS(=O)(=O)c1ccc(cc1)-c1ncnc2[nH]ccc12
NS(=O)(=O)c1ccc(cc1)-c1ncnc2[nH]cc(C#N)c12
Nc1nc(NC2CCCCC2)c2cc[nH]c2n1
Nc1nc(N[C@H]2CC[C@H](O)CC2)c2cc[nH]c2n1 |r,wU:5.4,wD:8.8,(65.37,-42.6,;66.7,-41.83,;66.7,-40.28,;68.04,-39.51,;68.03,-37.97,;66.69,-37.21,;65.37,-37.99,;64.04,-37.23,;64.03,-35.69,;62.69,-34.92,;65.36,-34.92,;66.69,-35.68,;69.38,-40.27,;70.85,-39.79,;71.77,-41.03,;70.86,-42.29,;69.39,-41.82,;68.04,-42.6,)|
NC(=O)c1c[nH]c2nc(N)nc(N[C@H]3CC[C@H](O)CC3)c12 |r,wU:13.12,wD:16.16,(14.74,-18.68,;13.24,-19.01,;12.2,-17.87,;12.77,-20.48,;13.68,-21.73,;12.78,-22.98,;11.31,-22.51,;9.97,-23.3,;8.63,-22.52,;7.3,-23.29,;8.63,-20.98,;9.96,-20.2,;9.95,-18.67,;8.62,-17.91,;7.31,-18.69,;5.97,-17.93,;5.96,-16.4,;4.62,-15.63,;7.29,-15.63,;8.61,-16.38,;11.3,-20.97,)|
Nc1nc(-c2cccc(O)c2)c2c(c[nH]c2n1)C#N
Nc1nc(-c2cccc(CO)c2)c2c(c[nH]c2n1)C#N
NC(=O)c1ccccc1-c1nc(N)nc2[nH]cc(C#N)c12
Nc1nc(Cl)c2cc[nH]c2n1
Nc1nc(N2CCCCC2)c2cc[nH]c2n1
Nc1nc(NC2CCCCC2)c2c(c[nH]c2n1)C(F)(F)F
Nc1nc(N)c2c(c[nH]c2n1)C#N
Nc1nc(NC2CCCCC2)c2c(c[nH]c2n1)C#N
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
Nc1nc(NCCO)c2c(c[nH]c2n1)C#N
CN1CCN(CC1)c1nc(N)nc2[nH]cc(C#N)c12
Nc1nc(N2CCN(CCCO)CC2)c2c(c[nH]c2n1)C#N
Nc1nc(N2CCC[C@H]2CO)c2c(c[nH]c2n1)C#N |r|
Nc1nc(N[C@@H]2C[C@H](O)[C@@H](O)[C@H]2O)c2c(c[nH]c2n1)C#N |r|
Nc1nc(-c2ccc(F)cc2)c2c(c[nH]c2n1)C#N
CS(=O)(=O)c1ccc(cc1)-c1nc(N)nc2[nH]cc(C#N)c12
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
COc1cc(O)c2c3oc4cc(O)c(O)cc4c3c(=O)oc2c1
COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|
O=S(=O)(N1CCOCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
O=S(=O)(N1CCSCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
O=S(=O)(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)c1ccc2nonc2c1
O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCNCC1
O=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1)C1CCCN1 |w:25.28|
CN1CCN(CC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
O=S(=O)(N1CCNCC1)c1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
NCCC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc3ncsc3c2)n1
NCc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(N)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCNCC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCC(O)CC1
CCCc1cc(nc2sc(C(N)=O)c(N)c12)N1CCCC(O)C1
COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(C(N)=O)c(c1)C1CCCC1
CN(C)Cc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CN(C)CCCNC(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CN(C)CCCNC(=O)c1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CS(=O)(=O)Nc1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
COc1ccccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1c(CN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1cc(CN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1c(OCCN2CCOCC2)cccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1ccc(OCCN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
Cc1cc(OCCN2CCOCC2)ccc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C#N
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1cc(CN2CCOCC2)ccc1C
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CC(C)c1cc(ccc1C(N)=O)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
CC(C)c1cc(ccc1C#N)-c1ccnc2[nH]c(cc12)-c1ccc(OCCN2CCOCC2)cc1C
CN(C)Cc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
Cc1ccc(CN2CCOCC2)cc1-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
CS(=O)(=O)Nc1cccc(c1)-c1cc2c(ccnc2[nH]1)-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(Oc2ccc(\C=C3/SC(=S)N(C3=O)c3ccc(OCCCN4CCCC4)cc3)cc2)cc1
CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4cccc(c4)C(N)=O)cc3)C2=O)CC1
CN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(cc4)C(N)=O)cc3)C2=O)CC1
C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F |r|
C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 |r|
Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCC(C)(C)O
CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO
OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO
OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F
Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO
Cc1cc2c(ccnc2[nH]1)-c1ncc(cn1)S(=O)(=O)NC1CCS(=O)(=O)CC1
Cc1cc2c(ccnc2[nH]1)-c1ccc(cn1)S(=O)(=O)NC1CCS(=O)(=O)CC1
Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(Cn3ccnn3)cc12
O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CCNCC1
CN(C)Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1
CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4
CCc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1
CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
NC(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
c1cc2c(ccnc2[nH]1)-c1ccccc1
CNCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
O=S(=O)(NC1CNC1)c1ccc(cc1)-c1ccnc2[nH]ccc12
O=S(=O)(N1CCCC1)c1ccc(cc1)-c1ccnc2[nH]ccc12
CS(=O)(=O)Nc1ccc(cc1)-c1ccnc2[nH]ccc12
NS(=O)(=O)c1cccc(c1)-c1ccnc2[nH]ccc12
O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]ccc12
NCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(CC(N)=O)cc12
Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCN
Cc1cc2c(ccnc2[nH]1)-c1ccc(NS(=O)(=O)CCN)cc1
CN(c1ccc(cc1)-c1ccnc2[nH]c(C)cc12)S(C)(=O)=O
Cc1cc2c(ccnc2[nH]1)-c1ccc(NS(C)(=O)=O)cc1
CN(C1CCS(=O)(=O)CC1)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12
COc1cc2CCN=C(c3ccc(Cl)c(Cl)c3)c2cc1Cl |t:7|
COc1cc2CCN=C(c3cccc(Cl)c3)c2cc1Cl |t:7|
NC(=O)c1cc(cc2c(c[nH]c12)C1CCCNC1)-c1ccccc1
NC(=O)c1cc(cc2c(c[nH]c12)C1CCNCC1)-c1ccccc1
CCCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
CC(C)S(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
CCS(=O)(=O)N1CCC(CC1)c1c[nH]c2c(cc(cc12)-c1ccccc1)C(N)=O
NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1
NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(c1)C#N
CS(=O)(=O)Nc1ccc(cc1)-c1cc(C(N)=O)c2[nH]ccc2c1
NC(=O)c1cc(cc2cc[nH]c12)-c1ccccc1Cl
NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(Cl)c1
NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(Cl)cc1
NC(=O)c1cc(cc2cc[nH]c12)-c1cccc(CO)c1
NC(=O)c1cc(cc2cc[nH]c12)-c1ccc(CO)cc1
NC(=O)c1cc(cc2cc[nH]c12)-c1cncnc1
COc1ccncc1-c1cc(C(N)=O)c2[nH]ccc2c1
NC(=O)c1cc(cc2cc[nH]c12)-c1cc2ccccc2o1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4cnc5[nH]ccc5c4)c3c2)CC1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CS(=O)(=O)Nc1cc(cnc1Cl)-c1ccncc1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCOCC2)c1
Oc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)\C=C\c1nc2ccccc2[nH]1
Cc1ccc2[nH]c(\C=C\C(=O)c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)nc2c1
Clc1ccc2[nH]c(=O)c(C(=O)\C=C\c3nc4cc(Br)ccc4[nH]3)c(-c3ccccc3)c2c1
Fc1ccc2[nH]c(\C=C\C(=O)c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)nc2c1
O=C(\C=C\c1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
Brc1ccc2[nH]c(=O)c(C(=O)\C=C\c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1
Cc1ccc2[nH]c(=O)c(C(=O)\C=C\c3nc4ccccc4[nH]3)c(-c3ccccc3)c2c1
Cn1c2ccc(Cl)cc2c(-c2ccccc2)c(C(=O)\C=C\c2nc3cc(F)ccc3[nH]2)c1=O
Fc1ccc(cc1)-c1c(C(=O)\C=C\c2nc3cc(F)ccc3[nH]2)c(=O)[nH]c2ccc(F)cc12
Fc1ccc(cc1)-c1c(C(=O)\C=C\c2nc3cc(F)c(F)cc3[nH]2)c(=O)[nH]c2ccc(F)cc12
Fc1ccc(cc1)-c1c(C(=O)\C=C\c2nc3cc(F)c(F)cc3[nH]2)c(=O)[nH]c2ccc(Cl)cc12
Fc1ccc2[nH]c(=O)c(C(=O)\C=C\c3nc4cc(F)c(F)cc4[nH]3)c(-c3ccc(F)c(F)c3)c2c1
Oc1ccccc1-c1nc(no1)-c1ccccc1
Oc1ccccc1-c1nc(Cc2ccccc2)no1
Oc1ccccc1-c1nc(no1)-c1ccc(cc1)C(F)(F)F
Oc1ccc(Cl)cc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |c:11,t:7|
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
C[C@]1(CCCN1c1nc(Nc2cc([nH]n2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 |r|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O