3057 SMILES Strings for Cyclin-A2/Cyclin-dependent kinase 2

Compound Name
SMILES String
CCn1c2nc(Nc3ccccc3)ncc2ccc1=O
CCn1c2nc(Nc3cccc(OC(F)(F)C(F)F)c3)ncc2ccc1=O
CCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
CCCCn1c2nc(Nc3ccccc3)ncc2ccc1=O
CC(C)n1c2nc(Nc3ccc(cc3)N3CCN(C)CC3)ncc2ccc1=O
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
OCCCC1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CC5CCC4C5)c3n2)cc1 |THB:23:24:27.28:30|
CC(C)n1c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2ccc1=O
O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CC1
O=c1ccc2cnc(Nc3ccccn3)nc2n1C1CCCC1
O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1
O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
O=c1ccc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCCC1
Brc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Fc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Nc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Cc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
OCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
COCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
COCCOCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCOCCc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCOCCOc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CC(C)COc1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCOC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CCOC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
Brc1cc2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccccn3)ncc12
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
CC(=O)c1c(C)c2cnc(Nc3ccccn3)nc2n(C2CCCC2)c1=O
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
CCOC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(Br)c(=O)n(C4CCCC4)c3n2)nc1
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCNCC3)ncc12
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCCCC3)ncc12
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCC(O)CC3)ncc12
Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cn3)N3CCOCC3)ncc12
COCCN(CCOC)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n(C2CCCC2)c1=O
CC1CN(CC(C)N1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCCC3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n(C2CCCC2)c1=O
CC1CN(CC(C)O1)c1ccc(Nc2ncc3c(C)c(C(C)=O)c(=O)n(C4CCCC4)c3n2)nc1
COc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C(C)C
COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C(C)C
COc1ccc2cnc(Nc3ccccc3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
COc1ccc2cnc(Nc3ccc(cc3)N3CCN(CC3)C(=O)CN)nc2c1C1CCCC1
CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12
Oc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1
Oc1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
Oc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C1CCCC1
COc1cc(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2c1C1CCCC1
COc1cc(C)c2cnc(Nc3ccc(cc3)N3CCN(CC3)C(C)=O)nc2c1C1CCCC1
Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
O=c1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2n1C1CCCC1
O=c1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2n1C1CCCC1
O=c1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
CN1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCOCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(CCCO)CC3)ncc12
CCc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
FC(F)(F)c1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
CC(C)n1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
CC(C)CCn1c2nc(Nc3ccc(cc3)N3CCNCC3)ncc2c(C)cc1=O
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C=O)ncc12
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CC3)C(=O)OC(C)(C)C)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(O)C3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCC(N)C3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCCNCC3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCN(CCO)CC3)ncc12
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3c(C)cc(=O)n(C4CCCC4)c3n2)cc1 |r|
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNC(C)(C)C3)ncc12
Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)c(Cl)c3)ncc12
CCc1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Cc1c(F)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(Cl)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
Cc1c(C(O)=O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
COC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n(C2CCCC2)c1=O
CNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
CCCNCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
CC(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
CC(C)(C)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCCC4c23)[nH]n1
O=C(Nc1cc(CNC2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
O=C(Nc1cc(CNC2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
O=C(Nc1cc(CN2CCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
O=C(Nc1cc(CN2CCCCC2)n[nH]1)Nc1cccc2C(=O)N3CCCC3c12
O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
O=C(Nc1cc(n[nH]1)[C@@H]1CCCN1)Nc1cccc2C(=O)N3CCC[C@H]3c12 |r|
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@@H]4c23)[nH]n1 |r|
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1 |r|
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CO[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
CO[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
FC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1
N[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
O=C(Nc1cc(n[nH]1)C1CC1)C(c1ccccc1)c1ccccc1
O=C(Nc1cc(n[nH]1)C1CC1)C(=O)c1ccccc1
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCCC1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCC(C(N)=O)C1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1C(C)CCC1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1C(CCC1=O)c1ccccc1
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1c(O)ccc1O
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc(O)[nH]c1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1c(O)c[nH]c1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc[nH]c1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cn[nH]c1=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(Cc2ccccc2)C1=O
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCS1(=O)=O
CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1 |r|
Cc1cc(NC(=O)c2ccccc2)[nH]n1
CCCC(=O)Nc1cc(C)[nH]n1
CCCC(=O)Nc1cc([nH]n1)C1CC1
O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Clc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
COc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
OC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
NC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Brc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Clc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
COc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Brc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
Clc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
COc1ccccc1C(=O)Nc1cc(n[nH]1)C1CC1
Clc1cccc(Cl)c1C(=O)Nc1cc(n[nH]1)C1CC1
Clc1ccc(cc1Cl)C(=O)Nc1cc(n[nH]1)C1CC1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCC1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCC1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCCC1
Cc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CCCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CCC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
CC(C)(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccccc1
Brc1ccc(cc1)C(=O)Nc1cc(Cc2ccccc2)[nH]n1
O=C(Cc1ccccc1)Nc1cc(n[nH]1)C1CC1
NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1
O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
c1cc(ccc1CC(=O)Nc2cc(n[nH]2)C3CC3)OC(F)(F)F
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc(n[nH]1)C1CC1
Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
OC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
O=C(Cc1cccc2ccccc12)Nc1cc(n[nH]1)C1CC1
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)S(N)(=O)=O
NC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1ccc1[nH]ncc21
CNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
CNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
NC(=O)c1[nH]nc-2c1CCc1[nH]ncc-21
NC(=O)c1nnc2c3c[nH][nH]c3ccc12
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccccc1
NC(=O)c1nn(-c2ccccc2)c2c1ccc1[nH]ncc21
Cc1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
Cc1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
COc1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(Cl)cc1
NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(F)cc1
NC(=O)c1nn(-c2ccc(F)cc2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)C(F)(F)F
NC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(OC(F)(F)F)cc1
NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)C#N
NC(=O)c1nn(-c2ccc(cc2)C#N)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)N1CCOCC1
NC(=O)c1nn(-c2ccc(cc2)N2CCOCC2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(-c2ccc(cc2)-c2ncc[nH]2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)-c1ncc[nH]1
Cc1cccc(c1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
Cc1cccc(c1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12
NC(=O)c1nn(-c2cccc(Cl)c2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccc(Cl)c1
NC(=O)c1nn(-c2cccc(F)c2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccc(F)c1
NC(=O)c1nn(-c2ccccn2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccccn1
NC(=O)c1nn(-c2cccnc2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccnc1
NC(=O)c1nn(Cc2ccccc2)c2c1ccc1[nH]ncc21
NC(=O)c1nn(Cc2ccccc2)c-2c1CCc1[nH]ncc-21
Cn1nc(C(N)=O)c2ccc3[nH]ncc3c12
Cn1nc(C(N)=O)c2CCc3[nH]ncc3-c12
NC(=O)c1nn(CC(F)(F)F)c2c1ccc1[nH]ncc21
NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1[nH]ncc-21
NC(=O)c1nn(CCO)c2c1ccc1[nH]ncc21
NC(=O)c1nn(CCO)c-2c1CCc1[nH]ncc-21
CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1ccc1[nH]ncc21
CCOC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(OC)cc1
COc1ccc(cc1)-n1nc(C(O)=O)c2ccc3[nH]ncc3c12
COc1ccc(cc1)-n1nc(C(O)=O)c2CCc3[nH]ncc3-c12
COc1ccc(cc1)-n1nc(C(=O)NN)c2ccc3[nH]ncc3c12
COc1ccc(cc1)-n1nc(C(=O)NN)c2CCc3[nH]ncc3-c12
COc1ccc(cc1)-n1nc(C(=O)NO)c2ccc3[nH]ncc3c12
COc1ccc(cc1)-n1nc(C(=O)NO)c2CCc3[nH]ncc3-c12
COc1ccc(cc1)-n1nc(C(=O)NOCC=C)c2CCc3[nH]ncc3-c12
COc1ccc(cc1)-n1nc(C#N)c2ccc3[nH]ncc3c12
COc1ccc(cc1)-n1nc(C(=N)NO)c2ccc3n[nH]cc3c12
COc1ccc(cc1)-n1nc(N)c2ccc3[nH]ncc3c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)OCC)c2CCc3[nH]ncc3-c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(O)=O)c2CCc3[nH]ncc3-c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NC)c2ccc3[nH]ncc3c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NC)c2CCc3[nH]ncc3-c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NOCC=C)c2ccc3[nH]ncc3c12
CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NOCC=C)c2CCc3[nH]ncc3-c12
CCOC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(C)cc1
CC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(C)cc1
CN1CCC(CC1)c1c2O\C(=C/c3ccccc3)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccccc3Cl)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N(=O)=O)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2c(O)cc1O
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(I)c23)cc1 |w:9.8|
CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:11.11|
CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
[#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13|
CCOc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(Oc4ccccc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccncc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:9.8,19.18|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccc(O)cc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(-c4cc[nH]n4)c23)cc1 |w:9.8|
CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12 |w:14.13|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(c23)N(=O)=O)cc1 |w:9.8|
NC(=O)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(F)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1 |w:9.8|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1 |w:9.8|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:10.10|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)N(=O)=O)cc1 |w:9.8|
Nc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.10|
CS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O |w:11.12|
COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11|
CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.14|
CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13|
NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.11|
CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:13.13|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8|
CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:17.17|
COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Br)ccc23)cc1 |w:9.8|
CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7|
CC(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:8.8|
CC(C)(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:9.9|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Oc4ccccc4)ccc23)cc1 |w:9.8|
Cc1cccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:7.7|
Cc1cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 |w:5.5|
Cc1cc(Cl)cc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:8.8|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:9.9|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:10.10|
Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1N(=O)=O |w:4.4|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
CN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
OCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCCc1cnc[nH]1 |w:13.15|
OCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:17.18|
COCCOCCOCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:24.25|
COCCOCCOCCOCCN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:25.26|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1 |w:13.15|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1 |w:13.15|
CN(c1ccccn1)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:18.20|
Cc1cccc(C)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:19.21|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1 |w:13.15|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc(cc1)S(=O)(=O)NN1Cc2ccccc2C=C1 |w:13.15,c:38|
NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
CC(=O)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
CNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:12.13|
CN(C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:16.17|
O=C1Nc2ccccc2C1C=Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 |w:10.11|
NC(=N)NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:14.15|
CS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
NS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
CNS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:13.14|
CNS(=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:11.10|
OCCNS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:15.16|
CS(=O)(=O)Cc1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:12.13|
O=C1Nc2ccc3ncsc3c2C1C=Nc1ccc2CS(=O)(=O)Cc2c1 |w:13.15|
O=C1Nc2ccc(cc2C1C=Nc1ccc2CS(=O)(=O)Cc2c1)-c1cnco1 |w:10.11|
N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
N#Cc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
O=N(=O)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
CCC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
COc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1OC
C1Oc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2O1
C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F
C1COc2ccc(Nc3nccc(n3)-c3cnn4ncccc34)cc2OC1
Clc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1Cl
FC(F)(F)c1cc(Nc2nccc(n2)-c2cnn3ncccc23)ccc1Cl
COC1CC(OC)=CC(C1)=Nc1nccc(n1)-c1cnn2ncccc12 |w:10.11,c:6|
COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(c1)C(F)(F)F
FC(F)(F)c1cc(Br)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Fc1cc(F)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Clc1cc(Cl)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3[nH]c(=O)ccc23)c1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
CCCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
COc1cccc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)c1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C#N)n1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)N(=O)=O)n1
COc1cc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)cc(OC)c1
COc1cc(Nc2nccc(n2)-c2cnn3nc(OC)ccc23)cc(c1)C(F)(F)F
CCOc1ccc2c(cnn2n1)-c1ccnc(Nc2cc(OC)cc(c2)C(F)(F)F)n1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1
COc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
Cc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
COc1cc(Nc2nccc(n2)-c2cnn3nc(C)ccc23)cc(c1)C(F)(F)F
Cc1ccc2c(cnn2n1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
FC(F)(F)c1cccc(Nc2nccc(n2)-c2cnn3nc(ccc23)-c2ccccc2)c1
C1COc2cc(Nc3nccc(n3)-c3cnn4nc(ccc34)-c3ccccc3)ccc2O1
N(c1ccccc1)c1nccc(n1)-c1c(nn2ncccc12)-c1ccccc1
FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)cc1F
Fc1cc(F)cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1
FC(F)(F)c1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)ccc1Cl
C1COc2cc(Nc3nccc(n3)-c3c(nn4ncccc34)-c3ccccc3)ccc2O1
Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1
Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
Fc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(F)c(F)c2)n1
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(cc2)C(F)(F)F)cc1F
FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
FC(F)(F)c1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2cccc(c2)C(F)(F)F)cc1F
FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)c1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)cc1F
FC(F)(F)c1cc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccc(Cl)cc2)ccc1Cl
Clc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccccc2)n1
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc(F)c(F)c2)n1
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccccc2)n1
Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc(F)c(F)c2)n1
Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
Cc1ccc2c(c(nn2n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccccc2)n1
Cc1ccc2c(c(nn2n1)-c1ccc(cc1)C(F)(F)F)-c1ccnc(Nc2ccc3OCCOc3c2)n1
Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccccc2)n1
Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc(F)c(F)c2)n1
Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
Cc1ccc2c(c(nn2n1)-c1ccc(F)cc1)-c1ccnc(Nc2ccc(Cl)c(c2)C(F)(F)F)n1
C1CC1c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CC2)cc1F
C1CCC(CC1)c1nn2ncccc2c1-c1ccnc(Nc2ccccc2)n1
Fc1ccc(Nc2nccc(n2)-c2c(nn3ncccc23)C2CCCCC2)cc1F
COCCOc1cnn2ncc(-c3ccnc(Nc4cccc(OC)c4)n3)c2c1
CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
CN(C)CCCC(=O)Nc1n[nH]c2nnc(cc12)-c1ccccc1
CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1
CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccccc1F
CCCC(=O)Nc1n[nH]c2ncc(cc12)-c1cccnc1
O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1
Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1
CCN1CCC(CC1)C(=O)Nc1n[nH]c2nnc(cc12)-c1cccc(F)c1F
CCN1CCC(CC(=O)Nc2n[nH]c3nnc(cc23)-c2cccc(F)c2F)CC1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccccc1
Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br
Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Oc1ccc(cc1Cl)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1
CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1
Oc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1
Oc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2ncccc2c1)C1CC1
NS(=O)(=O)c1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
CS(=O)(=O)Nc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccc(=O)[nH]c1)C1CC1
Fc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Fc1ccc(F)c(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Fc1ccc(cc1F)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Fc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1F
Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
Fc1ccc(cc1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccco1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1
O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1
Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1
O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1
Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1nccs1
Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1
CCN1CCC(CC(=O)Nc2n[nH]c3nc(-c4cccs4)c(Br)cc23)CC1
Brc1cc2c(NC(=O)C3CCN(Cc4ccccc4)C3)n[nH]c2nc1-c1ccco1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(Br)c2)cc1
CS(=O)(=O)Nc1ccc(Nc2cc(n[nH]2)-c2cccc(Br)c2)cc1
NS(=O)(=O)c1cccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)c1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(Br)cc2)cc1
CN(C)c1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
COc1ccc(cc1F)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(O)c(F)c2)cc1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)N(=O)=O)cc1
Nc1ccc(cc1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(c2)N2CCOCC2)cc1
COc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(O)c2)cc1
Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
CS(=O)(=O)Nc1cccc(c1)-c1cc(Nc2ccc(cc2)S(N)(=O)=O)[nH]n1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NC(=O)Nc3cc(ccc3F)C(F)(F)F)c2)cc1
NS(=O)(=O)c1ccc(Nc2cc(n[nH]2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
CCCCCC(=O)Nc1ncnc2oc(cc12)-c1ccc(OC)cc1
COc1ccc(cc1)-c1cc2c(NC(=O)CCSC)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)C(C)C)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)CC3CCCC3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)C3CCCCC3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)N3CCOCC3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)N3CCCC3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)c3cccc(F)c3)ncnc2o1
COc1ccc(cc1)-c1cc2c(NC(=O)c3ccco3)ncnc2o1
O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CC1
Clc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
Cc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
Fc1ccc(cc1)-c1cc2c(NC(=O)C3CC3)ncnc2o1
O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CC1
O=C(Nc1ncnc2oc(cc12)-c1ccccc1)C1CCCC1
Clc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
Cc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
Fc1ccc(cc1)-c1cc2c(NC(=O)C3CCCC3)ncnc2o1
O=C(Nc1ncnc2oc(cc12)-c1cccnc1)C1CCCC1
CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)|
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C2CCCC2)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;.6,-2.39,;1.6,-3.56,;3.03,-2.97,;2.91,-1.44,;-3.2,7.02,;-4.53,7.79,)|
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C#N)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;1.41,-1.08,;1.81,-2.56,;-3.2,7.02,;-4.53,7.79,)|
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Cl)cnn23)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,)|
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1 |r,wU:18.18,wD:15.14,(-8.53,5.48,;-8.53,7.02,;-9.87,7.79,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,)|
CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1 |r,wU:3.2,wD:6.9,(-12.54,3.17,;-11.2,2.4,;-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;2.91,-1.4,;.38,-2.22,;-.53,.86,;-1.87,.09,)|
CCN(CC)[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1 |r,wU:5.4,wD:8.11,(-12.54,3.17,;-11.2,2.4,;-9.87,3.17,;-9.87,4.71,;-11.2,5.48,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;2.91,-1.4,;.38,-2.22,;-.53,.86,;-1.87,.09,)|
CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(O[C@H]3CC[C@H](N)CC3)nc12 |r,wU:27.28,wD:24.24,(2.91,-1.4,;1.41,-1.08,;.38,-2.22,;.93,.39,;1.84,1.63,;.93,2.88,;-.53,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.53,7.02,;-8.53,5.48,;-9.87,7.79,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,)|
CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(NC3CCCC(N)C3)nc12
CC(C)COc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1
CC(C)COc1cc(Nc2ccc(cc2)S(C)(=O)=O)n2ncc(C(C)C)c2n1
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1Cl |r,wU:18.18,wD:15.14,(-9.87,7.79,;-8.54,7.02,;-8.54,5.48,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-5.87,7.02,;-5.87,5.48,;-4.53,4.71,;-3.2,5.48,;-1.87,4.71,;-1.87,3.17,;-3.2,2.4,;-3.2,.86,;-4.53,.09,;-5.87,.86,;-5.87,2.4,;-7.2,3.17,;-8.53,2.4,;-9.87,3.17,;-8.53,.86,;-7.2,.09,;-1.87,.09,;-.53,.86,;.93,.39,;1.41,-1.08,;1.84,1.63,;.93,2.88,;-.53,2.4,;-3.2,7.02,;-4.53,7.79,;-4.53,9.33,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.54,7.02,;-8.56,5.48,;-10.04,5.04,;-10.92,6.3,;-9.99,7.53,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncc(Br)c2n1 |r,wU:1.0,wD:4.7,(-9.87,3.17,;-8.53,2.4,;-7.2,3.17,;-5.87,2.4,;-5.87,.86,;-7.2,.09,;-8.53,.86,;-4.53,.09,;-3.2,.86,;-3.2,2.4,;-1.87,3.17,;-1.87,4.71,;-3.2,5.48,;-4.53,4.71,;-5.87,5.48,;-5.87,7.02,;-4.53,7.79,;-3.2,7.02,;-7.2,7.79,;-8.29,8.88,;-6.11,8.88,;-8.54,7.02,;-9.87,7.79,;-11.2,7.02,;-11.2,5.48,;-9.87,4.71,;-8.54,5.48,;-.53,2.4,;.93,2.88,;1.84,1.63,;.93,.39,;1.41,-1.08,;-.53,.86,;-1.87,.09,)|
CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl
CC(C)c1cnn2c(Nc3ccc(cc3)S(C)(=O)=O)cc(Cl)nc12
Brc1cccc(c1)-c1cc(NCc2ccncc2)n2nccc2n1
c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N
c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N
c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N
NS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](O)CC3)nc3ncnn23)cc1 |r,wU:16.16,wD:13.12,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-5.97,-6.34,;-5.97,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;.68,6.76,;2.17,5.61,;1.45,3.88,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|
CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:15.14,wD:18.18,(2.02,7.53,;.68,6.76,;-.65,7.53,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1 |r,wU:13.12,wD:16.16,(.68,6.76,;.68,5.22,;2.17,5.61,;1.45,3.88,;-.65,4.45,;-1.98,5.22,;-3.32,4.45,;-3.32,2.9,;-4.65,2.13,;-4.65,.59,;-5.98,-.18,;-5.98,-1.72,;-7.31,-2.49,;-7.31,-4.03,;-5.97,-4.8,;-5.97,-6.34,;-7.31,-7.11,;-7.31,-8.65,;-8.64,-6.34,;-8.64,-4.8,;-4.64,-2.49,;-3.31,-1.71,;-1.85,-2.18,;-.94,-.94,;-1.85,.31,;-3.32,-.17,;-1.98,2.13,;-.65,2.9,)|
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1 |r,wU:4.7,wD:1.0,(-7.31,-8.65,;-7.31,-7.11,;-5.97,-6.34,;-5.97,-4.8,;-7.31,-4.03,;-8.64,-4.8,;-8.64,-6.34,;-7.31,-2.49,;-5.98,-1.72,;-5.98,-.18,;-4.65,.59,;-4.65,2.13,;-3.32,2.9,;-3.32,4.45,;-1.98,5.22,;-.65,4.45,;-.65,2.9,;-1.98,2.13,;.68,5.22,;2.17,5.61,;1.45,3.88,;.68,6.76,;-.65,7.53,;-.65,9.07,;.68,9.84,;2.02,9.07,;2.02,7.53,;-3.32,-.17,;-1.85,.31,;-.94,-.94,;-1.85,-2.18,;-3.31,-1.71,;-4.64,-2.49,)|
Brc1cccc(c1)-c1cc(NCc2ccncc2)[n+]2[nH]cnc2n1
Nc1n[nH]c(N)c1\N=N\c1ccccc1
Nc1n[nH]c(N)c1\N=N\c1ccccc1[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(c1)[N+]([O-])=O
Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
Nc1n[nH]c(N)c1\N=N\c1ccccc1CO
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1
COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(C)=O
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
Cc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1cccc2cccnc12
CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1
CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
O=C(Cc1ccccc1)Nc1[nH]nc2CN(Cc12)C(=O)Nc1ccccc1
NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CC[C@H](O)C1=O |r|
C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CC[C@@H](O)C1=O |r|
COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
c1ccc2[nH]c(nc2c1)-c1n[nH]c2ccccc12
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r,THB:9:8:35.34.33.11:5,1:2:35.34.33.11:5|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13 |r|
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
[O-][N+](=O)c1ccccc1-c1ccc(\C=C2/SC(=N)NC2=O)o1
OC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
CNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
CN(C)CCNS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
N=C1NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCNCC1
N=C1NC(=O)\C(S1)=C\c1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
NC(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=N)NC2=O)o1
NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1ccc(\C=C2/SC(=N)NC2=O)o1
NS(=O)(=O)c1ccc(cc1Cl)-c1ccc(\C=C2/SC(=N)NC2=O)o1
C\C(=C1\SC(=N)NC1=O)c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
c1c(nc(cn1)Cl)N
c1ccc2c(c1)cn[nH]2
c1cc2c(cccc2S(=O)(=O)N)c(c1)O
c1cnc2c(cnn2c1)C#N
Clc1cncc(Nc2ccccc2)n1
c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N
CC(C)Nc1cc(nc2n1ncc2C#N)Cl
CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc2c(cnn12)C#N |r,wU:8.7,wD:11.11,(3.63,.72,;2.39,1.63,;2.55,3.16,;.98,1,;-.26,1.91,;-.1,3.44,;-1.35,4.34,;-1.19,5.87,;.15,6.64,;.25,8.18,;1.63,8.86,;2.91,8.01,;4.29,8.69,;2.81,6.47,;1.43,5.79,;-2.76,3.72,;-2.92,2.18,;-4.16,1.28,;-3.69,-.18,;-2.15,-.18,;-1.67,1.28,;-5.63,1.76,;-7.11,2.15,)|
O=C(Nc1ccccc1)c1n[nH]c2ccccc12
NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
O=C(Nc1ccccc1)c1ccn[nH]1
c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
CC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
OCC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)Cc2ccccc2)cc1
Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)C2CCCCC2)cc1
Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)cc1
Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NCC1CC1
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
O[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(3.17,8.82,;2.37,7.51,;3.11,6.16,;2.31,4.84,;.77,4.87,;.03,6.22,;.83,7.54,;0,3.54,;-1.54,3.54,;-2.01,5,;-2.63,2.45,;-2.34,.94,;-3.7,.2,;-4.81,1.26,;-4.15,2.65,;-4.89,4,;-6.43,4.04,;-7.23,2.73,;-7.16,5.4,;-6.5,6.78,;-4.96,6.9,;-7.37,8.06,;-8.9,7.94,;-9.57,6.55,;-8.7,5.28,;-9.47,3.94,)|
N[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(3.17,8.82,;2.37,7.51,;3.11,6.16,;2.31,4.84,;.77,4.87,;.03,6.22,;.83,7.54,;0,3.54,;-1.54,3.54,;-2.01,5,;-2.63,2.45,;-2.34,.94,;-3.7,.2,;-4.81,1.26,;-4.15,2.65,;-4.89,4,;-6.43,4.04,;-7.23,2.73,;-7.16,5.4,;-6.5,6.78,;-4.96,6.9,;-7.37,8.06,;-8.9,7.94,;-9.57,6.55,;-8.7,5.28,;-9.47,3.94,)|
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)N[C@H]1CCCNC1 |r|
Fc1cc(F)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCNCC2)c(F)c1
COc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Fc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r|
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(C(C)C)c2n1 |r|
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncc(C(C)C)n2n1 |r|
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Cn1nc(C(=O)NC2CC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NCCO)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NC2CCCC2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CN1CCN(CC1)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)N4CCOCC4)nc3-c12
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2(C)C
CN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4c(nn(C)c4-c3n2)C(N)=O)cc1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCN(C)CC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCOCC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N3CCOCC3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCN(C)CC4)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCN(C)CC4)c3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCOCC4)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCOCC4)c3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N(C)C)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(c3)N(C)C)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(CN(C)C)cc3)nc-21
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc-21
COc1ccc(cc1)-n1cnc2ccc(cc12)-c1nnc(SCc2cccc(c2)C#N)o1
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@@H](CO)c1ccccc1 |r|
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C |r|
Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C |r|
Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
CCc1ccccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3CCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3CCCCc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3OCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3OC(F)(F)Oc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
Cc1cnc(Nc2cccc3OCCOc23)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 |r|
COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1OC |r|
Cc1nc(C)c(s1)-c1ccnc(N)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
O=N(=O)c1cccc(Nc2nccc(n2)-c2cccc(Cn3cncn3)c2)c1
OC(=O)c1cccc(CSc2nnc(o2)-c2ccncc2)c1
COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2C)cc1Cl
Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)n1C
COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
COc1ccc(cc1)C(=O)C(C)Oc1cccc(NC(=O)c2cccc(c2)[N+](O)=O)c1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
Brc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1
Fc1ccc(NC(=O)CSc2nnc(o2)-c2ccncc2)cc1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1
COc1cccc(c1)-n1nnnc1SCC(=O)Nc1c(C)cc(C)cc1C
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8|
COc1cc(NC(=O)CSc2nncn2C)cc(OC)c1OC
[O-][N+](=O)c1cccc(c1)-c1nc(CCCN2C(=O)c3ccccc3C2=O)[o+][n-]1
CSc1ccc(cc1)S(=O)(=O)NCc1ccccn1
COc1ccc(NC(=O)CN2CCOCC2)c(c1)[N+]([O-])=O
CC1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1ccc(cc1)C(O)=O
CN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc2ccccc2c1
COc1cc(cc(OC)c1OC)-c1nnc(SCC(N)=O)n1C
COc1cccc(OC)c1NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:21.23|
CCOc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1
COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Clc1cccc(Cl)c1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
COc1ccc(OCC(=O)Nc2cc(ccc2C)-c2nn3c(C)nnc3s2)cc1
CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1
CN1CCN(CC1)C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
Cc1c(NS(=O)(=O)c2cccc3nonc23)c(=O)n(-c2ccccc2)n1C
CCOc1ccc(cc1Cc1c(O)nc(N)[nH]c1=O)C(C)=O
CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)CS(=O)(=O)c1ccc(Br)cc1
Cc1ccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(C)c1
CC(Sc1nc2ccccc2[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
CN(CC(=O)N1CCC(CC1)C(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C
COc1ccc(cc1)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1
CC(=O)N=S([O-])(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:14.15|
Cc1cc(C)c(cc1C)S(=O)(=O)NCc1ccccn1
COC(=O)c1ccccc1Oc1nc(NC(C)C)nc(NC(C)C)n1
[O-][N+](=O)c1ccc(cc1)-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C
[O-][N+](=O)c1ncn(CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1
COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
Cc1[nH]c2ncnn2c(=O)c1NS(=O)(=O)c1ccc(Br)cc1
COc1ccc(cc1NC(=O)C(C)Oc1ccccc1C)[N+]([O-])=O
Cc1[n-][o+]nc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCOCC1
COc1ccc(cc1)-c1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1C
COc1cc(ccc1NC(=O)CN1CCOCC1)[N+]([O-])=O
[O-][N+](=O)c1cccc(c1)-c1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12
CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2C)c1
O=C(CC1OCCN(Cc2ccccc2)C1=O)Nc1ccc2OCCOc2c1
Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C#N)n1
COc1ccccc1-n1nnnc1SCC(=O)Nc1ccccc1SC
Clc1cc(Cl)c(cc1Cl)S(=O)(=O)NCc1ccccn1
COc1ccccc1NC(=O)CSc1nncn1C
Clc1ccc(c(Cl)c1Cl)S(=O)(=O)NCc1ccccn1
[O-][N+](=O)c1ccn(CC(=O)N2CCCc3ccccc23)n1
[O-][N+](=O)c1ccccc1CC(=O)Nc1ccccc1C(=O)N1CCOCC1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(F)cc2)n1
OC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1
COc1ccccc1CNC(=O)CSc1nnnn1-c1c(C)cccc1C |(9.26,.77,;9.26,-.77,;7.93,-1.54,;6.59,-.77,;5.26,-1.54,;5.26,-3.08,;6.59,-3.85,;7.93,-3.08,;9.26,-3.85,;10.6,-3.08,;11.93,-3.85,;11.93,-5.39,;13.26,-3.08,;14.6,-3.85,;15.93,-3.08,;16.09,-1.55,;17.6,-1.23,;18.37,-2.56,;17.34,-3.7,;17.66,-5.21,;16.51,-6.24,;15.05,-5.77,;16.83,-7.75,;18.3,-8.22,;19.44,-7.19,;19.12,-5.69,;20.27,-4.66,)|
COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1
Cn1nc(nc1Oc1ccccc1C(=O)N1CCOCC1)[N+]([O-])=O
CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(OC)c2)n1C
OCCNc1nc2ccccc2n1CC(=O)c1cccc(c1)[N+]([O-])=O
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1c(C)nn(c1C)-c1ccccc1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1CNc1cnc2ccccc2c1
O=C(Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1c[nH]c2ccccc12
COc1cccc(NC(=O)CSc2nnnn2C)c1
[O-][N+](=O)c1ccccc1OCC(=O)Nc1ccccc1N1CCOCC1
NC(=O)c1ccc(NCCCN2CCOCC2)c(c1)[N+]([O-])=O
COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl
COc1ccc(NC(=O)CSc2nnnn2C)cc1
COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,TLB:28:27:22.23.24:30,28:23:29.27.26:30|
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(cc2)[N+]([O-])=O)n1-c1ccccc1
CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccncc1
Cn1c(Cc2ccccc2)nnc1Sc1ccc(cc1C(=O)N1CCOCC1)[N+]([O-])=O
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(CC1)c1ccccc1
COc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)cc1
COc1ccc(cc1)-n1c(SCC(N)=O)nnc1-c1cccs1
COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl
C[NH+](C)CCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:15.15|
CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1
COc1ccc2c(C)nc(Nc3nc(C)cc(=O)[nH]3)nc2c1
Cn1c(COc2cccc3cccnc23)nnc1SCC(N)=O
COc1ccc(CC(NC(C)=O)c2ccc3cccnc3c2O)cc1OC
Cc1cccc(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cncc(Br)c3)cc2)n1
Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
CN1CCN(CC1)C(=O)CN(c1cc(ccc1Cl)C(F)(F)F)S(=O)(=O)c1ccccc1
CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ncc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)Cc4ccc(/C=C/C(=O)NO)cc4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ccc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ccc(C(=O)NO)nc4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(OCCN(C)c4ccc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCC(C(=O)NO)CC4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCN(C)c4ccc(C(=O)NO)cc4)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(N(C)CCCCCCC(=O)NO)cn3)nc2n(C2CCCC2)c1=O
CC(=O)c1c(C)c2cnc(Nc3ccc(OCCN(C)c4ncc(C(=O)NO)cn4)cn3)nc2n(C2CCCC2)c1=O
C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
C[C@H]1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
C[C@H](O)CN1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CC(C)C1CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC3)C3CCC3)nc21
CC1CN(CCN1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CC1(C)CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CC1(C)CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
C[C@@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CC(C)N1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
C[C@H]1CN(CCN1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc21
C[C@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
C[C@@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCC(CC3)N3CCOCC3)nc21
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC1CN(CCN1CC(C)(C)O)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
FC(F)(F)C1CCN(CC1)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
C[C@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC(C)N1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC1(C)CN(CCN1C1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
C[C@H]1CN(C[C@@H](C)N1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC(C)N1CCN(Cc2ccc(Nc3ncc4cc5C(=O)NCC6(CCCCC6)n5c4n3)nc2)CC1
CCN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cn3)N3CCN(CC4CC4)CC3)nc21
CC(C)N1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
C[C@H]1CN(CCN1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
O=C(N1CCN(CC1)C1CCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
C[C@@H](O)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
C[C@@H]1CN(CCN1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 |r|
CC1CN(CC(C)N1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CC(C)N1CCN(CC1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CCN(CC)C1CCN(C1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CCN(CC)C1CCN(C1)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nn1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nn1
C[C@@H](O)CN1CCN(C[C@@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1 |r|
C[C@H](O)CN1CCN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1 |r|
CCC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CC(C)(C)CCN1CCN(CC1(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CC(C)(O)CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CCC(C)CN1[C@@H](C)CN(C[C@H]1C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1 |r|
CC(C)(C)CCN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CCOCCN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CC1CN(CCN1CC1CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
O=C(N1CCN(CC2CC2)CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CC1CN(CC(C)N1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
O=C1NCC2(CCCC2)n2c1cc1cnc(Nc3ccc(nn3)N3CCOCC3)nc21
CC1CN(CCN1CCC(C)(C)C)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCC5)n4c3n2)nc1
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O
C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O
CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1
CN1CC2(CCCCC2)N(C1=O)c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)N(Cc3ccccc3)CC22CCCCC2)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1
C[C@H]1CNC(=O)CN1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r|
CC(C)[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r|
C[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccccc2)nc1 |c:21|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccoc2)nc1 |c:21|
CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=NCC22CCCCC2)c2ccsc2)nc1 |c:21|
CC[C@H]1CC(=O)NN1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)Nc1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CS(=N)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3NNC(=O)C4(CCCCC4)n3c2n1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3C(=O)NCC4(CCCCC4)n3c2n1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1 |c:17,t:19|
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(CCCCCCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)CCN(C)c5ncc(C(=O)NO)cn5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)CCCCCCC(=O)NO)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(=O)NO)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(/C=C/C(=O)NO)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)Cc5ccc(/C=C/C(=O)NO)cc5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N(C)Cc5ccc(/C=C/C(=O)NO)cc5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(Cc6ccc(C(=O)NO)cc6)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(CCCCCCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(C(=O)CCCCCCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(C(=O)NO)nc4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4cc(C(=O)NO)ccn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(CCCCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(CCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCC(C(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C
Cc1nc2c(F)cc(-c3nc(Nc4ccc(-c5ccc(C(=O)NO)cn5)cn4)ncc3F)cc2n1C(C)C
CCN1CCN(Cc2ccc(Nc3ncc4CCc5nn(CC)c(C(C)C)c5-c4n3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc4CCc5nc(CC)n(C(C)C)c5-c4n3)nc2)CC1
CCc1nc2CCc3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3-c2n1C(C)C
CCN1CCN(Cc2ccc(Nc3ncc4Cc5nc(CC)n(C(C)C)c5-c4n3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc4Cc5nc(C)n(C(C)C)c5-c4n3)nc2)CC1
CC(C)n1c(C)nc2Cc3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3-c12
C1CCC(C1)n1ncc2CCc3cnc(Nc4ccc(cn4)N4CCCCC4)nc3-c12
CCN1CCN(CC1)c1ccc(Nc2ncc3CCc4cnn(C(C)C)c4-c3n2)nc1
C1c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc12
CC(C)c1c2C3N=C(Cc4ccc(cn4)N4CCNCC4)N=CC3CCc2nn1C |c:23,t:6|
CCn1nc-2c(CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)c1C(C)C
CCc1nc-2c(Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)n1CC
CCc1nc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c2n1C(C)C
CC(C)n1c(C)nc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
CC(C)n1ncc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
CC(C)c1[nH]nc2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
CC(C)c1c-2c(COc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)nn1C
CC(C)c1c-2c(Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)nn1C1CC1
CCc1nc2Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c2n1CC1CC1
CCc1nc2Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c2n1CC1CCCC1
CCN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(CC)c4C(C)C)-c3n2)nc1
C1CC1c1nc-2c(CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)n1C1CCCC1
CC(C)n1c(C)nc-2c1C(C)(C)Cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc-21
CC(C)n1c(C)nc2-c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3C(C)(C)c12
CCn1nc-2c(c1C(C)C)C(C)(C)Cc1cnc(Nc3ccc(cn3)N3CCNCC3)nc-21
CCn1nc2-c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3C(C)c2c1C(C)C
CCN1CCN(CC1)c1ccc(Nc2ncc3CC(C)(C)c4nn(CC)c(C(C)C)c4-c3n2)nc1
CC(C)c1c2-c3nc(Nc4ccc(cn4)N4CCNCC4)ncc3C3(CC3)c2nn1C
CC(C)c1n(C)nc2n(C)c3cnc(Nc4ccc(cn4)N4CCNCC4)nc3c12
COCc1nn(C(C)C)c-2c1CCc1cnc(Nc3ccc(cn3)N3CCNCC3)nc-21
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4nn(C)c(C)c4-c3n2)nc1
CN1CCN(Cc2ccc(Nc3ncc4CCc5nn(C)c(C)c5-c4n3)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4OCCN(C(C)C)c4c3)nc2)CC1
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCNCC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3c2)C(=O)CN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
Fc1cnc(Nc2ccc(cn2)N2CCCNCC2)nc1-c1cc(F)c2OCCN(C3CCCC3)c2c1
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
Fc1cc(cc2N(CCOc12)C1CCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)CN1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(no2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cnn(c2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)C2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cc(n[nH]2)C2CCN(C)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc3CCNC(=O)c3c2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(N)(=O)=O)ncc1F
Fc1cc(cc2N(CCOc12)C1CCCC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2=O)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cc2)S(=O)(=O)NCCN(C)C)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CN)CC2)ncc1F
CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
COCCNS(=O)(=O)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3OCCN(C(C)C)c3c2)cc1
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1cc2ccccc2cn1 |r|
Clc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Fc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Fc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
COc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
COc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Cc1ccc2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Cc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
Clc1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CN(C)C(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
NC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
OC(=O)c1ccc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CC(C)n1c2nc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2ccc1=O |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1cc2ccccc2cn1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2cc(Cl)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(OC)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(Cl)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(F)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|
Clc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1cc2ccccc2cn1 |r|
Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
COc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
Cc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccncc2n1 |r|
Cc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CS(=O)(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
COc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
Fc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
Clc1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C#N |r|
OC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
NC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CNC(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
CN(C)C(=O)c1ccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc2c1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|
CC(C)n1c2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc2ccc1=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1cc2ccccc2cn1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(Cl)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(OC)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(C)ccc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccncc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(OC)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(Cl)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(F)cc2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C#N |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(O)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(N)=O |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)C(=O)N(C)C |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)[nH]c2n1 |r|
CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(=O)n(C(C)C)c2n1 |r|
Fc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
F[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|
C=CC(=O)Nc1ccc(cc1)C(=O)N1CC(C1)Nc1ncc2ccccc2n1
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1ccc(cn1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1F)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Fc1ccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)c(F)c3)ncc2c1 |r|
O=C(Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1)C#C |r|
COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
COc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Cc1cc(cc(F)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|
CC#CC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)N1CCCc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)N1CCOc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
COc1cc(ccc1NC(=O)\C=C\CN(C)C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1Cl)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)N1CCOc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
COc1cc(NC(=O)\C=C\CN(C)C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)N(C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CC(=O)Nc1cccc(c1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Clc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
CN(C)C\C=C\C(=O)N1CCCc2cc(ccc12)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
Fc1cccc2cnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)nc12 |r|
Fc1cccc2nc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)ncc12 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2cc(F)ccc2n1 |r|
Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc2ccc(cc2n1)S(C)(=O)=O |r|
CCC(=C)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C=CS(=O)(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc2ccccc2n1 |r|
C[C@H]1CN(C[C@@H]1Nc1ncc2ccccc2n1)C(=O)c1ccc(NC(=O)C=C)cc1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)Cc2cscn2)ncc1Cl |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=O)=O)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCOCC2)ncc1Cl |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCN(C)CC2)ncc1Cl |r|
CNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N(C)C)ncc1Cl |r|
CCNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CONC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r|
CC(O)CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2nc3CCC(C)(C)n3c2c1 |r|
CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CCC(=O)N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2nc3CCC(C)(C)n3c2c1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC1(C)CCc2nc3c(F)cc(cc3n12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=O)=O)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1C |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nc3CCC(C)(C)n3c2c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CC[C@H](C2)NC(C)=O)ncc1C |r|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc2c(N=C(C)C22CCCC2)c(F)c1 |r,t:26|
CC(C)c1snc2ccc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC1CCn2nc3ccc(cc3c12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N(C)C)ncc1C |r|
CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
CC(C)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r|
COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1C |r|
CC(C)c1n(C)nc2c(F)cc(cc12)-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCC2)c1 |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1C |r|
CC(C)n1cnc2ccc(nc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CC(C)n1c(C)nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCCOc2c1
C[C@@]1(O)CCC[C@H]1Nc1nccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12 |r|
CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(NC3CCCC3)c2n1
Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r|
CS(=O)(=O)N1CCC(CC1)Sc1ncc2ccnc(C3CCCC3O)c2n1
C[C@@]1(O)CCC[C@H]1Nc1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F |r|
CC(C)c1noc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCOCC4)nc3c12 |r,wU:14.13,wD:17.20,(1.86,19.83,;1.38,21.29,;-.12,21.61,;2.42,22.44,;3.95,22.27,;4.57,23.68,;3.43,24.71,;3.43,26.25,;2.1,27.02,;.76,26.25,;-.57,27.02,;-1.91,26.25,;-1.91,24.71,;-3.24,23.94,;-3.24,22.4,;-1.91,21.63,;-1.91,20.09,;-3.24,19.32,;-4.57,20.09,;-4.57,21.63,;-3.24,17.78,;-1.91,17.01,;-1.91,15.47,;-.57,14.7,;.76,15.47,;.76,17.01,;-.57,17.78,;-.57,23.94,;.76,24.71,;2.1,23.94,)|
CC(C)c1noc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCNCC4)nc3c12 |r,wU:14.13,wD:17.20,(1.86,4.34,;1.38,5.81,;-.12,6.13,;2.42,6.95,;3.95,6.79,;4.57,8.2,;3.43,9.23,;3.43,10.77,;2.1,11.54,;.76,10.77,;-.57,11.54,;-1.91,10.77,;-1.91,9.23,;-3.24,8.46,;-3.24,6.92,;-1.91,6.15,;-1.91,4.61,;-3.24,3.84,;-4.57,4.61,;-4.57,6.15,;-3.24,2.3,;-1.91,1.53,;-1.91,-.01,;-.57,-.78,;.76,-.01,;.76,1.53,;-.57,2.3,;-.57,8.46,;.76,9.23,;2.1,8.46,)|
CC(C)c1noc2ccc3cnc(N[C@H]4CC[C@@H](CC4)Nc4ncccn4)nc3c12 |r,wU:14.13,wD:17.20,(1.86,-11.11,;1.38,-9.64,;-.12,-9.32,;2.42,-8.5,;3.95,-8.66,;4.57,-7.25,;3.43,-6.22,;3.43,-4.68,;2.1,-3.91,;.76,-4.68,;-.57,-3.91,;-1.91,-4.68,;-1.91,-6.22,;-3.24,-6.99,;-3.24,-8.53,;-1.91,-9.3,;-1.91,-10.84,;-3.24,-11.61,;-4.57,-10.84,;-4.57,-9.3,;-3.24,-13.15,;-1.91,-13.92,;-1.91,-15.46,;-.57,-16.23,;.76,-15.46,;.76,-13.92,;-.57,-13.15,;-.57,-6.99,;.76,-6.22,;2.1,-6.99,)|
CC(C)c1noc2ccc3cnc(NC4CCNCC4)nc3c12
CC(C)c1noc2ccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)c1noc2c(F)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)c1noc2c(Cl)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)c1noc2c(Br)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)c1noc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F
CC(C)c1noc2c(CO)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)c1noc2c(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
C[C@@]1(O)CCC[C@H]1c1noc2ccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12 |r|
C[C@@]1(O)CCC[C@H]1c1noc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F |r|
CC(C)c1noc2CCc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3-c12
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@H](N)CC4)nc3c12 |r,wU:14.13,wD:17.17,(1.86,20.28,;1.38,21.74,;-.12,22.06,;2.42,22.89,;3.95,22.73,;4.57,24.13,;3.43,25.16,;3.43,26.7,;2.1,27.47,;.76,26.7,;-.57,27.47,;-1.91,26.7,;-1.91,25.16,;-3.24,24.39,;-3.24,22.85,;-1.91,22.08,;-1.91,20.54,;-3.24,19.77,;-3.24,18.23,;-4.57,20.54,;-4.57,22.08,;-.57,24.39,;.76,25.16,;2.1,24.39,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCOCC4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,.8,;1.36,.47,;1.82,-1,;2.39,1.61,;3.93,1.45,;4.55,2.85,;3.41,3.88,;3.41,5.42,;2.07,6.19,;.74,5.42,;-.59,6.19,;-1.93,5.42,;-1.93,3.88,;-3.22,3.05,;-3.22,1.51,;-1.88,.74,;-1.88,-.8,;-3.22,-1.57,;-4.55,-.8,;-4.55,.74,;-3.22,-3.11,;-1.88,-3.88,;-1.88,-5.42,;-.55,-6.19,;.78,-5.42,;.78,-3.88,;-.55,-3.11,;-.59,3.11,;.74,3.88,;2.07,3.11,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)NC4CCNCC4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,.8,;1.36,.47,;1.82,-1,;2.39,1.61,;3.93,1.45,;4.55,2.85,;3.41,3.88,;3.41,5.42,;2.07,6.19,;.74,5.42,;-.59,6.19,;-1.93,5.42,;-1.93,3.88,;-3.22,3.05,;-3.22,1.51,;-1.88,.74,;-1.88,-.8,;-3.22,-1.57,;-4.55,-.8,;-4.55,.74,;-3.22,-3.11,;-1.88,-3.88,;-1.88,-5.42,;-.55,-6.19,;.78,-5.42,;.78,-3.88,;-.55,-3.11,;-.59,3.11,;.74,3.88,;2.07,3.11,)|
COCCN[C@H]1CC[C@@H](CC1)Nc1ncc2ccc3nnn(C(C)C)c3c2n1 |r,wU:8.11,wD:5.4,(-3.22,-8.89,;-3.22,-7.35,;-1.88,-6.58,;-1.88,-5.04,;-3.22,-4.27,;-3.22,-2.73,;-1.88,-1.96,;-1.88,-.42,;-3.22,.35,;-4.55,-.42,;-4.55,-1.96,;-3.22,1.89,;-1.93,2.73,;-1.93,4.27,;-.59,5.04,;.74,4.27,;2.07,5.04,;3.41,4.27,;3.41,2.73,;4.55,1.7,;3.93,.29,;2.39,.45,;1.36,-.68,;-.15,-.35,;1.82,-2.15,;2.07,1.96,;.74,2.73,;-.59,1.96,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)Nc4ncccn4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,.8,;1.36,.47,;1.82,-1,;2.39,1.61,;3.93,1.45,;4.55,2.85,;3.41,3.88,;3.41,5.42,;2.07,6.19,;.74,5.42,;-.59,6.19,;-1.93,5.42,;-1.93,3.88,;-3.22,3.05,;-3.22,1.51,;-1.88,.74,;-1.88,-.8,;-3.22,-1.57,;-4.55,-.8,;-4.55,.74,;-3.22,-3.11,;-1.88,-3.88,;-1.88,-5.42,;-.55,-6.19,;.78,-5.42,;.78,-3.88,;-.55,-3.11,;-.59,3.11,;.74,3.88,;2.07,3.11,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)N(C)C)nc3c12 |r,wU:14.13,wD:17.20,(-.15,-.35,;1.36,-.68,;1.82,-2.15,;2.39,.45,;3.93,.29,;4.55,1.7,;3.41,2.73,;3.41,4.27,;2.07,5.04,;.74,4.27,;-.59,5.04,;-1.93,4.27,;-1.93,2.73,;-3.22,1.89,;-3.22,.35,;-1.88,-.42,;-1.88,-1.96,;-3.22,-2.73,;-4.55,-1.96,;-4.55,-.42,;-3.22,-4.27,;-1.88,-5.04,;-4.55,-5.04,;-.59,1.96,;.74,2.73,;2.07,1.96,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)N4CCN(CC4)C4CCCC4)nc3c12 |r,wU:17.20,wD:14.13,(-.15,2.76,;1.36,2.43,;1.82,.96,;2.39,3.56,;3.93,3.4,;4.55,4.81,;3.41,5.84,;3.41,7.38,;2.07,8.15,;.74,7.38,;-.59,8.15,;-1.93,7.38,;-1.93,5.84,;-3.22,5,;-3.22,3.46,;-4.55,2.69,;-4.55,1.15,;-3.22,.38,;-1.88,1.15,;-1.88,2.69,;-3.22,-1.16,;-4.55,-1.93,;-4.55,-3.47,;-3.22,-4.24,;-1.88,-3.47,;-1.88,-1.93,;-3.22,-5.78,;-4.46,-6.68,;-3.99,-8.15,;-2.45,-8.15,;-1.97,-6.68,;-.59,5.07,;.74,5.84,;2.07,5.07,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)N4CCN(CC5CCCC5)CC4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,2.91,;1.36,2.58,;1.82,1.11,;2.39,3.72,;3.93,3.56,;4.55,4.96,;3.41,5.99,;3.41,7.53,;2.07,8.3,;.74,7.53,;-.59,8.3,;-1.93,7.53,;-1.93,5.99,;-3.22,5.16,;-3.22,3.62,;-1.88,2.85,;-1.88,1.31,;-3.22,.54,;-4.55,1.31,;-4.55,2.85,;-3.22,-1,;-4.55,-1.77,;-4.55,-3.31,;-3.22,-4.08,;-3.22,-5.62,;-1.88,-6.39,;-1.78,-7.93,;-.28,-8.3,;.53,-7,;-.46,-5.82,;-1.88,-3.31,;-1.88,-1.77,;-.59,5.22,;.74,5.99,;2.07,5.22,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)N4CCN(CC4)C(=O)C4CC4)nc3c12 |r,wU:17.20,wD:14.13,(-.15,2.63,;1.36,2.29,;1.82,.83,;2.39,3.43,;3.93,3.27,;4.55,4.68,;3.41,5.71,;3.41,7.25,;2.07,8.02,;.74,7.25,;-.59,8.02,;-1.93,7.25,;-1.93,5.71,;-3.22,4.87,;-3.22,3.33,;-4.55,2.56,;-4.55,1.02,;-3.22,.25,;-1.88,1.02,;-1.88,2.56,;-3.22,-1.29,;-4.55,-2.06,;-4.55,-3.6,;-3.22,-4.37,;-1.88,-3.6,;-1.88,-2.06,;-3.22,-5.91,;-4.55,-6.68,;-1.88,-6.68,;-1.11,-8.02,;-.34,-6.68,;-.59,4.94,;.74,5.71,;2.07,4.94,)|
CC(C)n1nnc2ccc3cnc(N[C@H]4CC[C@@H](CC4)N4CCN(CC4)C(=O)c4ccccc4)nc3c12 |r,wU:14.13,wD:17.20,(-.15,3.11,;1.36,2.78,;1.82,1.31,;2.39,3.92,;3.93,3.76,;4.55,5.16,;3.41,6.19,;3.41,7.73,;2.07,8.5,;.74,7.73,;-.59,8.5,;-1.93,7.73,;-1.93,6.19,;-3.22,5.36,;-3.22,3.82,;-1.88,3.05,;-1.88,1.51,;-3.22,.74,;-4.55,1.51,;-4.55,3.05,;-3.22,-.8,;-4.55,-1.57,;-4.55,-3.11,;-3.22,-3.88,;-1.88,-3.11,;-1.88,-1.57,;-3.22,-5.42,;-4.55,-6.19,;-1.88,-6.19,;-1.88,-7.73,;-.55,-8.5,;.78,-7.73,;.78,-6.19,;-.55,-5.42,;-.59,5.42,;.74,6.19,;2.07,5.42,)|
CC(C)n1nnc2ccc3cnc(NC4CC[C@@H](CC4)NS(C)(=O)=O)nc3c12 |r,wU:17.20,(-3.87,-.93,;-5.35,-.5,;-6.46,-1.57,;-5.71,1,;-7.14,1.58,;-7.03,3.11,;-5.53,3.48,;-4.8,4.84,;-3.26,4.89,;-2.45,3.58,;-.91,3.63,;-.1,2.32,;-.83,.96,;-.02,-.35,;1.52,-.3,;2.33,-1.61,;3.87,-1.56,;4.6,-.21,;3.79,1.1,;2.25,1.06,;6.14,-.16,;6.95,-1.47,;5.64,-2.28,;7.76,-2.78,;8.26,-.66,;-2.37,.91,;-3.18,2.22,;-4.72,2.17,)|
CC(C)n1nnc2ccc3cnc(NC4CCNCC4)nc3c12
CC(C)n1nnc2ccc3cnc(NC4CCN(C)CC4)nc3c12
CC(C)n1nnc2ccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc3nnn(C(C)C)c3c2n1
CC(C)n1nnc2ccc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc3c12
CC(C)n1nnc2ccc3cnc(NC4CCN(CC4)S(=O)(=O)CC4CC4)nc3c12
COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc3nnn(C(C)C)c3c2n1
CC(C)n1nnc2ccc3cnc(NC4CCN(CC4)S(=O)(=O)C(F)F)nc3c12
CNS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc3nnn(C(C)C)c3c2n1
CC(C)n1nnc2c(F)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)n1nnc2cc(F)c3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)n1nnc2c(Cl)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)n1nnc2c(Br)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)n1nnc2c(C)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
CC(C)n1nnc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F
CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C(F)F)c3nnn(C(C)C)c3c2n1
CC(C)n1nnc2c(cc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc3c12)C(F)F
CC(C)n1nnc2c(cc3cnc(NC4CCN(CC4)S(=O)(=O)C(F)F)nc3c12)C(F)F
CC(C)n1nnc2c(CC(F)(F)F)cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12
C[C@@]1(O)CCC[C@H]1n1nnc2ccc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12 |r|
C[C@@]1(O)CCC[C@H]1n1nnc2c(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc3c12)C(F)F |r|
CC(C)n1nnc2ccc3cnc(NC4CCCNC4)nc3c12
CC(C)n1nnc2ccc3cnc(NC4CCC(=O)NC4)nc3c12
CC(C)n1nnc2ccc3cnc(NC4CCCNC4=O)nc3c12
CC(C)n1nnc2CCc3cnc(NC4CCN(CC4)S(=O)(=O)C4CC4)nc3-c12
CC(C)n1nnc2CCc3cnc(NC4CCN(CC4)S(=O)(=O)C(F)F)nc3-c12
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(Cl)cnn12)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2ccnn12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C#N)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
C[C@@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
C[C@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C1CCCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C1CC1)C(C1CC1)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(F)cnn12)C(C1CC1)C1CC1 |r|
CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)CC1 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C=C |r|
CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)CC2)n2nccc2n1 |r,wU:9.9,wD:12.13,(-2.56,-4.62,;-2.56,-3.08,;-3.9,-2.31,;-5.44,-2.31,;-4.67,-.98,;-1.23,-2.31,;-1.23,-.77,;.1,,;.1,1.54,;1.44,2.31,;1.44,3.85,;2.77,4.62,;4.1,3.85,;5.44,4.62,;4.1,2.31,;2.77,1.54,;1.44,-.77,;2.9,-.29,;3.81,-1.54,;2.9,-2.79,;1.44,-2.31,;.1,-3.08,)|
CC(C1CC1)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC(F)(F)C2)nc2ccnn12 |r|
CC(C)c1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C1CC1)C1CC1 |r|
CC(c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
C[C@@H](c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
C[C@H](c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1)C1(C)CC1 |r|
CC(c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
C[C@@H](c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
C[C@H](c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1)C1(C)CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3ncc(Cl)c3n2)CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC(C1CC1)c1cc(NC2CCNC2)n2ncc(F)c2n1
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C(F)(F)F)C(C1CC1)C1CC1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C1CC1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C)(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(F)c2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)(F)C1CC1 |r|
CC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
C[C@@H](C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C)c2n1 |r|
CC(C)(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(nc12)C(C)(C)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)[C@@H](F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)[C@H](F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CCC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CCCC1 |r|
CCC(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C1CCC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C1CC1)c1cc(NC2CCN(N)C2)n2ncc(Cl)c2n1
COC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
COC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CCC2)nc2ccnn12 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CCC3)nc12 |r|
Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CC3)nc12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(nc2ccnn12)C(F)C1CC1 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2c(F)cnn12 |r|
N[C@H]1CC[C@@H](C1)Nc1cc(CC2CC2)nc2c(Cl)cnn12 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C)(CC=C)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|
CC(C)(C=C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(F)c2n1 |r|
NN1CCC(C1)Nc1cc(nc2ccnn12)C(C1CC1)C1CC1
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(C=C)c2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(Cl)cnn12)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,wD:11.12,(-3.99,-5.66,;-3.99,-4.12,;-5.32,-3.35,;-6.86,-3.35,;-6.09,-2.02,;-2.65,-3.35,;-2.65,-1.81,;-1.32,-1.04,;-1.32,.5,;.01,1.27,;.41,2.76,;1.96,2.34,;3.31,3.09,;1.5,.87,;.01,-1.81,;1.48,-1.33,;2.38,-2.58,;1.48,-3.82,;.01,-3.35,;-1.32,-4.12,)|
C[C@@H](C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,1.0,wD:11.12,(-2.17,-4.39,;-2.17,-2.85,;-3.51,-2.08,;-4.28,-.75,;-5.05,-2.08,;-.84,-2.08,;-.84,-.54,;.49,.23,;.49,1.77,;1.83,2.54,;2.23,4.02,;3.71,3.62,;5.05,4.39,;3.32,2.14,;1.83,-.54,;3.29,-.07,;4.2,-1.31,;3.29,-2.56,;1.83,-2.08,;.49,-2.85,)|
C[C@H](C1CC1)c1cc(N[C@H]2C[C@H](N)C2)n2nccc2n1 |r,wU:9.9,wD:11.12,1.0,(-2.17,-4.39,;-2.17,-2.85,;-3.51,-2.08,;-4.28,-.75,;-5.05,-2.08,;-.84,-2.08,;-.84,-.54,;.49,.23,;.49,1.77,;1.83,2.54,;2.23,4.02,;3.71,3.62,;5.05,4.39,;3.32,2.14,;1.83,-.54,;3.29,-.07,;4.2,-1.31,;3.29,-2.56,;1.83,-2.08,;.49,-2.85,)|
CC(C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
C[C@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
C[C@@H](C1CC1)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2ncc(Cl)c2n1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2nccc2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(cnn12)C(F)(F)F)C(C1CC1)C1CC1 |r|
CCC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(C)=N)n2nccc2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(N)=N)n2ncc(F)c2n1 |r|
CC(C1CC1)c1cc(N[C@H]2CC[C@@H](C2)NC(C)=N)n2ncc(F)c2n1 |r|
CC(=N)N[C@H]1CC[C@@H](C1)Nc1cc(nc2c(F)cnn12)C(C1CC1)C1CC1 |r|
CC(C1CC1)c1cc(N[C@@H]2C[C@H](N)C2)n2nccc2n1 |r,wD:9.9,11.12,(-3.85,1.94,;-2.53,2.73,;-2.53,4.27,;-3.3,5.61,;-1.76,5.61,;-1.19,1.99,;-1.19,.45,;.15,-.32,;.15,-1.86,;-.94,-2.95,;-.94,-4.49,;-2.48,-4.49,;-3.54,-5.61,;-2.48,-2.95,;1.48,.45,;2.95,-.02,;3.85,1.22,;2.95,2.47,;1.48,1.99,;.15,2.76,)|
CCC[C@H]1NC(=O)[C@H](Cc2cccc(c2)C#N)N(CCC2CCCCC2)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC1=O)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CCCCN(C)C)NC(=O)C1(CC1)C(F)(F)F |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)C1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC1=O)N(C)C(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)CC |r|
CC[C@H](NC(=O)C1(CC1)C(F)(F)F)C(=O)N[C@@H](C1CC1)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)NC(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
COC(C)(C(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](C1CC1)C(=O)N(C)[C@H]1CCCCNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O)C(F)(F)F |r|
CC[C@H](NC(=O)C1(CC1)C(F)(F)F)C(=O)N[C@@H](CC)C(=O)N(C)[C@H]1CCCCNC(=O)[C@@H](CC)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](C1CC1)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)NC(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cccc(Cl)c2)N(CCC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
CC[C@H](NC(=O)C(C)(OC)C(F)(F)F)C(=O)N[C@@H](C1CC1)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2cc(Cl)ccc2Cl)NC(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)C1(CC1)C#C)C(=O)N[C@@H](CCCCN(C)C)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@@H](CC)NC(=O)[C@H](Cc2cccc(Cl)c2)N(CC)C(=O)[C@H](CC(C)C)NC1=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC2CC2C1)C(F)(F)F)C1CC1 |r|
CC[C@H](NC(=O)C1(CC1)C#C)C(=O)N[C@@H](CCCCN1CCOCC1)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Cc2cccc(Cl)c2)N(CC)C(=O)[C@H](CC(C)C)NC1=O |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCNC(=O)CCCNC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC1=O)N(C)C(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2C)N(C)C1=O)N(C)C(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCCN1CCOCC1)NC(=O)C1(CC1)C#C |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc(Br)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Br)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)C1(CC1)C#C)C(=O)N[C@@H](CCCCN1CCOCC1)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc(Cl)ccc2F)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)C1(CC1)C#C)C(=O)N[C@@H](CCCCN1CCOCC1)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@@H](CC)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2CCCN2C(=O)C(Cc2cc(Br)ccc2Cl)NC(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(CC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)[C@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Br)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(CCC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2F)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(CCC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(F)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@@H]1CCCN1C(=O)C1(CC1)C#C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2cc(F)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F |r|
CC[C@H](NC(=O)C1(CC1)C#C)C(=O)N[C@@H](CCCCN1CCOCC1)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)C2(CC2)NC(=O)[C@H](Cc2cc(Cl)ccc2F)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CC)NC(=O)[C@H](CCCCN1CCOCC1)NC(=O)C1(CC1)C#C |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)C2(CC2)NC(=O)[C@H](Cc2cc(F)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CCC[C@H]1NC(=O)[C@H](Cc2cccc(Cl)c2)N(CCC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](C)NC(=O)[C@H](CCCCN1CCOCC1)NC(=O)C1(CC1)C#C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(F)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@H](C)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F |r|
CCC[C@H]1NC(=O)[C@H](Cc2cccc(Cl)c2)N(CCC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CCCCN1CCOCC1)NC(=O)C1(CC1)C#C |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(OC(F)F)C(F)(F)F)C1CC1 |r|
CCC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(CC)C(=O)[C@H](CCCCN1CCOCC1)NC(=O)[C@H](CC)NC(=O)C1(CC1)C#C |r|
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COC[C@H]1NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)[C@@](C)(O)C(F)(F)F |r|
CCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C(=O)N[C@H]1CCCCN(C)C(=O)[C@@H](CCC)NC(=O)[C@H](Cc2cccc(Cl)c2)N(CC)C(=O)[C@H](CC(C)C)NC1=O |r|
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CCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C(=O)N[C@H]1CCCCN(C)C(=O)[C@@H](CCC)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
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CCC[C@H]1NC(=O)[C@H](Cc2cccc(Cl)c2)N(CC)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN(C)C1=O)N(C)C(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@](C)(O)C(F)(F)F |r|
CC[C@H](NC(=O)[C@@H](NC(=O)C1(CC2(CCC2)C1)C(F)(F)F)C(C)C)C(=O)N(C)[C@H]1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
CC[C@H](NC(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Cc2cc(Cl)ccc2OCC2CC2)N(CC)C(=O)[C@H](CC(C)C)NC1=O |r|
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CC[C@H](NC(=O)[C@@](C)(O)C(F)(F)F)C(=O)N[C@@H](CCCNC(=O)c1nccs1)C(=O)N(C)[C@H]1CCCCN(C)C(=O)[C@@H](C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
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CCC1(C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F)C1CC1 |r|
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CCCN([C@H]1CCCCNC(=O)C2(CC2)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O)C(=O)[C@H](CC1CCC1)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@](C)(O)C(F)(F)F |r|
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CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2C2=CCN(CC2)C(C)=O)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC(F)(F)C1)C(F)(F)F)C1CC1 |r,t:32|
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CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2C2=CCC(O)CC2)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC(F)(F)C1)C(F)(F)F)C1CC1 |r,t:32|
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CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@H](CC1CC1)NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F |r|
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CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2-c2cn(C)nc2C)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC(F)(F)C1)C(F)(F)F)C1CC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2C[C@@H](F)CN2C(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC(F)(F)C1)C(F)(F)F)C1CC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2-c2cnn(c2)C2COC2)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC(F)(F)C1)C(F)(F)F)C1CC1 |r|
CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C(=O)N(C)[C@H]1CCCCNC(=O)C2(CC2)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C(=O)[C@H](CC(C)C)NC1=O |r|
COc1ccc(cn1)-c1ccc(Cl)cc1C[C@@H]1N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC(F)(F)C1)C(F)(F)F)C1CC1 |r|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C2(CC2)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C1CC1 |r|
COCCOCCO[C@](C)(C(=O)N1C[C@H](F)C[C@H]1C(=O)N[C@@H](C1CC1)C(=O)N(C)[C@H]1CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2C2=CCN(CC2)C(C)=O)N(C)C(=O)[C@H](CC(C)C)NC1=O)C(F)(F)F |t:55|
CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(=O)C(C)(C)NC(=O)[C@H](Cc2cc(Cl)ccc2Cl)N(C)C1=O)N(C)C(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1(CC1)C(F)(F)F)C1CC1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(CS(C)(=O)=O)cn3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(N(C)S(C)(=O)=O)cn3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(NS(C)(=O)=O)cc3F)=NC2)C1
CC(=O)N(C)c1ccc(NC2=NCC([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)=C2)nc1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(CC=O)cn3)n[nH]2)C1
CC(=O)Cc1ccc(NC2=NCC([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)=C2)nc1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(CS(C)(=O)=O)cc3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(CS(=O)(=O)C4CC4)cn3)=NC2)C1
COc1ccc(NC2=NCC([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)=C2)nc1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(CN(C)C)cc3F)=NC2)C1
CC(C)NC(=O)O[C@@H]3CC[C@H](c2cc(Nc1ccc(CS(C)(=O)=O)c(C(F)(F)F)n1)n[nH]2)C3
COCCN(C=O)c1ccc(NC2=NCC(C3CCC(OC(=O)NC(C)C)C3)=C2)nc1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccccn3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(N4CCCC4=O)cn3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(NS(C)(=O)=O)nc3)=NC2)C1
CCS(=O)(=O)c1ccc(NC2=NCC(C3CCC(OC(=O)NC(C)C)C3)=C2)c(F)c1
COCc1ccc(NC2=NCC(C3CCC(OC(=O)NC(C)C)C3)=C2)nc1
CC(C)NC(=O)OC3CCC(c2cc(Nc1ncc(NS(C)(=O)=O)cn1)n[nH]2)C3
COCCCc1ccc(NC2=NCC(C3CCC(OC(=O)NC(C)C)C3)=C2)nc1
CC(C)NC(=O)OC1CCC(c2cc(Cc3ccc4c(n3)OCC4)n[nH]2)C1
CC(C)NC(=O)OC1CCC(C2=CC(NC3CCN(S(C)(=O)=O)CC3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2=CC(Nc3ccc(NS(C)(=O)=O)c(F)c3)=NC2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(F)n3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(N)(=O)=O)cc3F)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](C2CC(Nc3ccc4c(c3)CS(=O)(=O)C4)=NN2)C1
Cc1cc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccc1NS(C)(=O)=O
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(N4CCCS4(=O)=O)cn3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(OC(F)(F)F)n3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(Cl)n3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cc(OC(F)(F)F)c(NS(C)(=O)=O)cn3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cc(F)c(NS(C)(=O)=O)cc3F)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(N)(=O)=O)c(F)c3)n[nH]2)C1
CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3ccc(S(N)(=O)=O)cc3F)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(N4CCCC4=O)c(F)c3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(-c4cnco4)cn3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(F)c3F)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(-n4ccnc4)cn3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)OCO4)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(Cl)c3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(P(C)(C)=O)cc3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CC(=O)N4)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)N4)n[nH]2)C1
COc1nc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccc1NS(C)(=O)=O
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(C(N)=O)cc3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(OC(F)(F)F)c3)n[nH]2)C1
CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4ccc5c(c4)CS(=O)(=O)N5)n[nH]3)C2)CC1
CC(C)NC(=O)OC1=CC[C@@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)N4)n[nH]2)C1
CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3ccc(CS(C)(=O)=O)c(C(F)(F)F)c3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CCN4S(C)(=O)=O)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(N)(=O)=O)c(Cl)n3)n[nH]2)C1
CNC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)N4)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(C)(=O)=O)cc3)n[nH]2)C1
COc1cc(Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)ccc1NS(C)(=O)=O
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CNS4(=O)=O)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(N4CCCC4=O)c(Cl)n3)[nH]n2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(=O)(=O)CCCO)cc3F)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(N=S(C)(C)=O)cc3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC3CCN(S(=O)(=O)c4cnn(C)c4)CC3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(C)(=N)=O)cc3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(=N)(=O)C4CC4)cc3)n[nH]2)C1
C[C@H](NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)C4)n[nH]2)C1)C(F)(F)F
C[C@@H](NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)C4)n[nH]2)C1)C(F)(F)F
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)n[nH]2)C1
O=C(NC1CC1)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)C4)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(=O)(=O)NC4CC4)cn3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(=O)(=O)N(C)C)cn3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(C)(=N)=O)c(F)c3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]3CC[C@H](c2cc(Nc1ccc(NS(C)(=O)=O)c(OC(F)F)c1)n[nH]2)C3
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(C#N)cc3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(C)(=N)=O)c(Cl)c3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(NS(C)(=O)=O)c(C(F)F)c3)n[nH]2)C1
CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)S(=O)(=O)CC4)n[nH]2)C1
[2H]C([2H])([2H])C([2H])(NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc(S(N)(=O)=O)c(Cl)n3)n[nH]2)C1)C([2H])([2H])[2H]
[2H]C([2H])([2H])C([2H])(NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3ccc4c(c3)CS(=O)(=O)C4)n[nH]2)C1)C([2H])([2H])[2H]
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)c2ccsc2n1
Cc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)c2sccc2n1
C=CC(=O)Nc1ccc2c(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)C3CCOCC3)C4(C)C)nccc2c1
C=CC(=O)Nc1cccc2c(Nc3n[nH]c4c3CN(C(=O)N[C@H](CN(C)C)C3CCOCC3)C4(C)C)nccc12
C=CC(=O)Nc1ccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)nc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)cc1
C=CC(=O)Nc1cnc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)nc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC2CN(C)Cc4ccccc42)C3(C)C)cc1
Cc1nccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)n1
C=CC(=O)Nc1ccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)C2CCOCC2)C3(C)C)cc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N[C@H]2CCCN(C)C2)C3(C)C)cc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC2(CN(C)C)CC2)C3(C)C)cc1
C=CC(=O)Nc1ccc(C(=O)Nc2n[nH]c3c2CN(C(=O)NC(CN(C)C)C2CCOC2)C3(C)C)cc1
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCNCC5)cn4)nc3c21
CCN1CCN(c2ccc(Nc3ncc4ccc5nnn(C(C)C)c5c4n3)cc2)CC1
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCC(CCCO)CC5)cc4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCNCC5)cc4F)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCOCC5)cc4F)nc3c21
COc2cc(N1CCNCC1)ccc2Nc5ncc4ccc3nnn(C(C)C)c3c4n5
COc2cc(N1CCN(C)CC1)ccc2Nc5ncc4ccc3nnn(C(C)C)c3c4n5
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCNCC5)c(F)c4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)nc3c21
CCN1CCN(c2ccc(Nc3ncc4ccc5nnn(C(C)C)c5c4n3)cc2F)CC1
CC(C)n1nnc2ccc3cnc(Nc4ccc(N5CCOCC5)c(F)c4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(N(CCN5CCOCC5)S(C)(=O)=O)cc4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(OCCN(C)C)cc4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(C(=O)N5CCNCC5)cc4)nc3c21
CC(C)n1nnc2ccc3cnc(Nc4ccc(C(=O)N5CCN(C)CC5)cc4)nc3c21
COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncn3C)cc2n1C(=O)OC(C)(C)C
COc1cc(ccc1Nc1ncc2ccnc(N[C@@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1 |r|
COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)cc1
COc1ccc(Nc2ncc3ccnc(-c4cnn(C)c4)c3n2)c(OC)c1
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(C3CC3)c2n1)-c1cnn(C)c1
COc1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(OC)c1
Cc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
COc1ccc(Nc2cc3c(cccc3cn2)-c2ccco2)cc1
COc1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)cc1
COc1cc(ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1)-c1cnn(C)c1
CC(C)Oc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
CCOc1cc(ccc1Nc1ncc2ccnc(-c3cnn(C)c3)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(N3CCCC3)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(NCC3CC3)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)C)c2n1)-c1cnn(C)c1
COc1cc(ccc1Nc1ncc2ccnc(N[C@H](C)C(C)(C)C)c2n1)-c1cnn(C)c1 |r|
COc1cc(ccc1Nc1ncc2ccnc(SC3CCCCC3)c2n1)-c1cnn(C)c1
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(cc1)N1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNCC2)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNCC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(CN2CCNCC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCN(C)CC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)CC(CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNC[C@@H]2C)cc1 |r|
CC(C)CC(CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNC[C@H]2C)cc1 |r|
CC(C)CC(CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCN(CC2)C2CCN(C)CC2)cc1 |r|
CCN1CCN(Cc2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)NC(Cc2ccsc2)C(N)=O)CC1 |r|
CCN1CCN(Cc2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)NC(Cc2ccsc2)C(N)=O)[C@@H](C)C1 |r|
CCCN1CCN(Cc2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)NC(Cc2ccsc2)C(N)=O)CC1 |r|
CCCN1CCN(Cc2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)NC(Cc2ccsc2)C(N)=O)[C@@H](C)C1 |r|
CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CC2CCNCC2)cc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6](-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccsc1)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)cc1 |r|
[#6]-[#6](-[#6])-[#6]-[#6](-[#6]-[#6](=O)-[#7]-[#6](-[#6]-c1ccsc1)-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-c1ccc(\[#6]=[#6]-2/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-2)cc1 |r|
CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN(C)C2CCCNC2)cc1 |r|
CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNC2CCNCC2)cc1 |r|
CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN(C)C2CCNCC2)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNCC2)c(O)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CCOc1cc(ccc1CN1CCNCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)CC(CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNCC2)c(O)c1 |r|
CCOc1cc(ccc1CN1CCNCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |r|
CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNC[C@@H]2C)c(O)c1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(OC2CCNCC2)cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)CC(CC(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(OC2CCNCC2)cc1 |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(OC2CCNCC2)c(OC)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cc(OC2CCNCC2)cc(OC2CCNCC2)c1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O |r|
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
Nc1nccc(n1)-c1c[nH]c2ncccc12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)C(F)(F)F |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Br)cc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccncc1 |r|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(F)cc1 |r|
CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12
CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r|
Nc1nccc(n1)-c1c[nH]c2nccc(O)c12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(C=C)cc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1F |r|
COc1ccnc2n(C)cc(-c3ccnc(N)n3)c12
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1
NC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1
CS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
CC(C)Oc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12
CC(C)c1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12
NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncccc4c23)cc1
NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1
O=C1Cc2c([nH+]c3ccn(Cc4ccccc4)cc23)-c2ccccc2N1
[O-][n+]1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Nc1ncnc2nc(NCCO)c(cc12)C#N
Cc1c(C#N)c(NCCO)nc2ncnc(N)c12
Nc1ncnc2nc(Nc3ccc(cc3)S(N)(=O)=O)c(cc12)C#N
Cc1c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)nc2ncnc(N)c12
Nc1scc2c1c(NCCO)nc1ncnc(N)c21
Nc1scc2c1c(Nc1ccc(cc1)S(N)(=O)=O)nc1ncnc(N)c21
Nc1nc(NCCO)nc2nc(NCCO)c(cc12)C#N
Cc1c(C#N)c(NCCO)nc2nc(NCCO)nc(N)c12
Nc1nc(NCCO)nc2nc(Nc3ccc(cc3)S(N)(=O)=O)c(cc12)C#N
Cc1c(C#N)c(Nc2ccc(cc2)S(N)(=O)=O)nc2nc(NCCO)nc(N)c12
Nc1scc2c1c(NCCO)nc1nc(NCCO)nc(N)c21
Nc1scc2c1c(Nc1ccc(cc1)S(N)(=O)=O)nc1nc(NCCO)nc(N)c21
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
NC(=O)c1c(Br)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12 |r|
Nc1ncnc2n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(-c3cccs3)c(C#N)c12 |r|
Nc1ncnc2n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(-c3ccco3)c(C#N)c12 |r|
Nc1ncnc2n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c(-c3ccc(Br)s3)c(C#N)c12 |r|
O=C1CC\C=C/COc2cccc(c2)-c2ccnc(Nc3cccc(N1)c3)n2 |c:4|
CN1C\C=C\CC(=O)Nc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
C1C\C=C\CNc2cccc(Nc3nccc(n3)-c3cccc(O1)c3)c2 |t:2|
CN1C\C=C\CNC(=O)c2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CC(C)(C)CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:7|
FC(F)(F)C(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:8|
FC(F)(F)CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:7|
CN1C\C=C\CCOc2cccc(c2)-c2cc(nc(Nc3cccc(C1)c3)n2)N1CCCC1 |t:3|
C1C\C=C\CNCc2cccc(Nc3nccc(n3)-c3cccc(O1)c3)c2 |t:2|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\COCc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\COCc2cccc(Nc3nccc(n3)-c3cccc(C1)c3)c2 |t:3|
C1CC1N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:6|
CC(C)CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:6|
C(C1CC1)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:7|
C(N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2)c1ccccn1 |t:3|
COCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:6|
OCCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:5|
CC(C)NCC(=O)N1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:9|
COc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:22|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(Cl)c(C1)c3)n2 |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OC(F)(F)F)c(C1)c3)n2 |t:3|
COCCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:25|
CCS(=O)(=O)c1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:25|
CCS(=O)(=O)CCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:28|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OCC(=O)N4CCCC4)c(C1)c3)n2 |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(N4CCOCC4)c(C1)c3)n2 |t:3|
CCN(CC)CCOc1ccc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc1c2)c3 |t:28|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OCCN4CCOCC4)c(C1)c3)n2 |t:3|
CN1CCN(CCOc2ccc3Nc4nccc(n4)-c4cccc(OCC\C=C\CN(C)Cc2c3)c4)CC1 |t:28|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OCCN4CCCCC4)c(C1)c3)n2 |t:3|
N#CCN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3ccc(OCCN4CCCC4)c(C1)c3)n2 |t:5|
COc1cc2Nc3nccc(n3)-c3cccc(OCC\C=C\CN(C)Cc(c2)c1OCCN1CCCC1)c3 |t:21|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)C(F)(F)F)c3)n2 |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(N)cc(C1)c3)n2 |t:3|
CCS(=O)(=O)CNc1cc2CN(C)C\C=C\CCOc3cccc(c3)-c3ccnc(Nc(c2)c1)n3 |t:14|
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cc(C1)cc(NC(=O)N1CCOCC1)c3)n2 |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2cc(C)nc(Nc3cccc(C1)c3)n2 |t:3|
CN1C\C=C\CCOc2cccc(c2)-c2nc(Nc3cccc(C1)c3)ncc2C |t:3|
CN1C\C=C\CCOc2cc(F)cc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
COc1ccc-2cc1OCC\C=C\CN(C)Cc1cccc(Nc3nccc-2n3)c1 |t:12|
NS(=O)(=O)c1ccc(Nc2nc(-c3cccc4c5ccccc5oc34)c3nc[nH]c3n2)cc1
c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(=O)N2
COc1ccc2NC(=O)\C(=C3\Nc4ccccc4\C\3=N/OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
Cc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\OCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |r|
COc1ccc2NC(=O)\C(=C3/Nc4ccccc4/C/3=N\O)c2c1
OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1cc2ncnc(Nc3cc(-c4ccccc4)n(n3)-c3ccccc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(Cl)cc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccc(F)cc3)c2cc1OC
COc1cc2ncnc(Nc3cc([nH]n3)-c3ccccc3)c2cc1OC
COc1cc2ncnc(Nc3cc(O)[nH]n3)c2cc1OC
COc1ccc(cc1)-c1cc(Nc2ncnc3cc(OC)c(OC)cc23)n[nH]1
COc1cc2ncnc(Nc3n[nH]cc3C#N)c2cc1OC
C(Cc1c[nH]c2ccccc12)Nc1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cc2ccccc2s1
C(Cc1ccccc1)Nc1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccnc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(F)cc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc2ccccc12
CN1CCN(CC1)c1nccc(n1)-c1c[nH]c2ncccc12
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(Cl)cc1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(F)(F)F
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cc2ccccc2o1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccoc1
COc1ccc(cc1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccc(OC(F)(F)F)cc1
CSc1ccccc1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
C1CCN(C1)c1nccc(n1)-c1c[nH]c2ncccc12
COc1ccc(CCNc2nccc(n2)-c2c[nH]c3ncccc23)cc1OC
C1CN(CCO1)c1nccc(n1)-c1c[nH]c2ncccc12
Cc1cccc(c1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
COc1ccc2ccccc2c1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(c1)C(F)(F)F
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1cccc(F)c1
CCc1ccccc1-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
COc1ccc(CCNc2nccc(n2)-c2c[nH]c3ncccc23)cc1
COc1ccc2[nH]c(cc2c1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
CSc1ccc(cc1)-c1cnc2[nH]cc(-c3ccnc(N)n3)c2c1
Nc1nccc(n1)-c1c[nH]c2ncc(cc12)-c1ccsc1
C1CCN(CC1)c1nccc(n1)-c1c[nH]c2ncccc12
FC(F)(F)c1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
Fc1ccc2ncc(-c3cccc(C=O)c3)n2n1
FC(F)(F)c1ccc(cc1)-c1cnc2ccc(Cl)nn12
Nc1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1 |r|
Nc1ccc(Cl)cc1-c1cnc2ccc(Cl)nn12
CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CSc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1 |r|
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)c1
CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1 |r|
CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CCOC(=O)Nc1ccc2ncc(-c3cccnc3)n2n1
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(Cl)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc(Cl)ccc3N)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
O\N=C\c1cccc(c1)-c1cnc2ccc(Cl)nn12
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
CC[C@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(N)n3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4cc(Br)ccc4[nH]3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(SC)c3)n2n1 |r|
Clc1ccc2ncc(-c3cccnc3)n2n1
CSc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
COc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
Fc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
FC(F)(F)c1cccc(\C=C\c2cnc3ccc(Cl)nn23)c1
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccnc3)n2n1 |r|
COc1ccc2ncc(-c3ccnc(N)n3)n2n1
OCCN1CCN(CC1)c1ccc2ncc(-c3cccc(Cl)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@@H](CC)CO)c3)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
COc1ccc2ncc(-c3ccc(cc3)C(F)(F)F)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(n3)S(C)(=O)=O)n2n1 |r|
Clc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r|
COc1ccc2ncc(-c3ccnc(n3)[S+](C)[O-])n2n1
CCOC(=O)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1
Clc1cccc(c1)-c1cnc2ccc(nn12)N1CCC(CC1)N1CCCCC1
Clc1ccc2ncc(-c3cccc(C=O)c3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1 |r|
COc1ccc2ncc(-c3ccnc(SC)n3)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)S(C)(=O)=O)n2n1 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r|
Clc1cccc(c1)-c1cnc2ccc(Cl)nn12
COc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1
CC[C@@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
COc1ccc2ncc(\C=C\c3cccc(c3)C(F)(F)F)n2n1
CC[C@@H](CO)Nc1ccc2ncc(-c3cc4ccccc4[nH]3)n2n1 |r|
CC[C@H](CO)NC(=O)c1cccc(c1)-c1cnc2ccc(N[C@H](CC)CO)nn12 |r|
CC[C@@H](CO)Nc1ccc2ncc(-c3ccnc(SC)n3)n2n1 |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Cl)c3)ncnc12 |r,wU:12.15,10.10,(26.01,-22.02,;24.92,-23.11,;23.43,-22.71,;22.35,-23.8,;22.75,-25.29,;24.23,-25.68,;25.32,-24.6,;24.63,-27.17,;26.14,-27.49,;23.6,-28.32,;22.09,-28,;20.8,-28.83,;19.97,-27.54,;21.26,-26.71,;18.46,-27.22,;17.83,-25.81,;16.3,-25.98,;15.98,-27.48,;14.65,-28.26,;13.31,-27.48,;11.98,-28.26,;10.65,-27.48,;10.65,-25.94,;9.31,-25.18,;7.98,-25.94,;7.98,-27.48,;6.64,-28.26,;9.31,-28.26,;14.65,-29.8,;15.98,-30.56,;17.31,-29.8,;17.31,-28.26,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(Nc3ccncc3)ncnc12 |r,wU:12.15,10.10,(34.42,-23.86,;33.3,-24.92,;31.82,-24.49,;30.71,-25.56,;31.08,-27.06,;32.56,-27.48,;33.67,-26.42,;32.92,-28.98,;34.42,-29.33,;31.87,-30.11,;30.37,-29.75,;29.06,-30.56,;28.25,-29.25,;29.56,-28.44,;26.75,-28.9,;26.15,-27.48,;24.62,-27.61,;24.26,-29.1,;22.92,-29.85,;21.6,-29.05,;20.25,-29.79,;18.94,-28.99,;17.59,-29.73,;17.55,-31.27,;18.87,-32.07,;20.22,-31.33,;22.88,-31.39,;24.2,-32.18,;25.55,-31.45,;25.58,-29.91,)|
CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:4.3,7.10,20.22,22.27,(16.83,-30.61,;16.84,-32.15,;15.51,-32.93,;18.17,-32.92,;19.5,-32.14,;19.5,-30.6,;20.83,-29.83,;22.16,-30.59,;22.17,-32.13,;20.84,-32.91,;23.5,-29.82,;24.83,-30.58,;24.84,-32.12,;26.18,-32.88,;27.5,-32.11,;27.5,-30.57,;28.64,-29.53,;28.01,-28.13,;26.48,-28.3,;26.16,-29.8,;30.14,-29.85,;30.99,-31.14,;32.28,-30.29,;31.43,-29,;33.79,-30.6,;34.81,-29.46,;36.32,-29.77,;34.4,-27.97,;32.91,-27.58,;32.52,-26.09,;33.6,-25,;35.09,-25.39,;36.17,-24.3,;35.49,-26.87,)|
FC(F)(F)c1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12 |r,wU:15.18,13.13,(34.82,-21.98,;33.34,-21.59,;32.94,-20.11,;34.42,-20.49,;32.26,-22.68,;30.77,-22.28,;29.68,-23.37,;30.08,-24.85,;31.57,-25.26,;32.66,-24.17,;31.96,-26.74,;33.47,-27.06,;30.93,-27.89,;29.43,-27.57,;28.14,-28.41,;27.29,-27.12,;28.59,-26.27,;25.79,-26.79,;25.17,-25.39,;23.64,-25.55,;23.31,-27.06,;21.98,-27.82,;20.65,-27.06,;19.32,-27.82,;17.98,-27.06,;16.64,-27.82,;15.31,-27.06,;15.31,-25.52,;16.64,-24.74,;17.98,-25.52,;21.98,-29.36,;23.31,-30.14,;24.65,-29.36,;24.65,-27.82,)|
COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2C[C@@H](C2)NC(=O)c2cccc(C)n2)cc1OC |r,wU:16.17,18.22,(11.31,-24.61,;12.65,-25.37,;13.98,-24.58,;13.97,-23.04,;15.29,-22.27,;16.63,-23.02,;17.96,-22.24,;19.3,-22.99,;19.32,-24.53,;20.66,-25.29,;21.98,-24.5,;21.96,-22.96,;23.1,-21.92,;22.46,-20.52,;20.93,-20.7,;20.62,-22.21,;24.61,-22.23,;25.46,-23.51,;26.74,-22.66,;25.9,-21.38,;28.25,-22.96,;29.28,-21.81,;30.79,-22.12,;28.86,-20.33,;27.37,-19.94,;26.95,-18.46,;28.03,-17.36,;29.52,-17.75,;30.61,-16.65,;29.94,-19.23,;16.65,-24.56,;15.33,-25.34,;15.34,-26.89,;14.02,-27.66,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(F)c3)ncnc12 |r,wU:12.15,10.10,(31.27,-11.82,;30.17,-12.91,;28.69,-12.51,;27.6,-13.6,;28,-15.09,;29.49,-15.48,;30.57,-14.39,;29.89,-16.97,;31.39,-17.29,;28.85,-18.12,;27.35,-17.8,;26.06,-18.63,;25.22,-17.34,;26.51,-16.51,;23.71,-17.02,;23.08,-15.61,;21.55,-15.77,;21.23,-17.28,;19.9,-18.05,;18.57,-17.28,;17.23,-18.05,;15.9,-17.28,;15.9,-15.74,;14.57,-14.97,;13.24,-15.74,;13.24,-17.28,;11.9,-18.05,;14.57,-18.05,;19.9,-19.59,;21.23,-20.36,;22.56,-19.59,;22.56,-18.05,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCNCC3)ncnc12 |r,wU:12.15,10.10,(35.5,-21.79,;34.42,-22.88,;32.93,-22.48,;31.84,-23.57,;32.24,-25.06,;33.72,-25.45,;34.81,-24.37,;34.13,-26.94,;35.63,-27.26,;33.1,-28.09,;31.59,-27.77,;30.29,-28.6,;29.46,-27.31,;30.75,-26.48,;27.95,-26.99,;27.32,-25.59,;25.79,-25.75,;25.47,-27.25,;24.14,-28.03,;22.81,-27.25,;21.47,-28.03,;20.14,-27.25,;20.14,-25.71,;18.81,-24.95,;17.48,-25.71,;17.48,-27.25,;18.81,-28.03,;24.14,-29.57,;25.47,-30.33,;26.81,-29.57,;26.81,-28.03,)|
CC(=O)N[C@H]1CC[C@@H](CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:7.10,20.22,22.27,wD:4.3,(16.83,-30.61,;16.84,-32.15,;15.51,-32.93,;18.17,-32.92,;19.5,-32.14,;20.84,-32.91,;22.17,-32.13,;22.16,-30.59,;20.83,-29.83,;19.5,-30.6,;23.5,-29.82,;24.83,-30.58,;24.84,-32.12,;26.18,-32.88,;27.5,-32.11,;27.5,-30.57,;28.64,-29.53,;28.01,-28.13,;26.48,-28.3,;26.16,-29.8,;30.14,-29.85,;30.99,-31.14,;32.28,-30.29,;31.43,-29,;33.79,-30.6,;34.81,-29.46,;36.32,-29.77,;34.4,-27.97,;32.91,-27.58,;32.52,-26.09,;33.6,-25,;35.09,-25.39,;36.17,-24.3,;35.49,-26.87,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)c(F)c3)ncnc12 |r,wU:12.15,10.10,(29.23,-17.32,;28.14,-18.41,;26.65,-18.01,;25.57,-19.1,;25.97,-20.59,;27.45,-20.98,;28.54,-19.89,;27.85,-22.47,;29.36,-22.79,;26.82,-23.62,;25.31,-23.3,;24.02,-24.13,;23.19,-22.84,;24.48,-22.01,;21.68,-22.52,;21.05,-21.11,;19.52,-21.28,;19.2,-22.78,;17.87,-23.56,;16.53,-22.78,;15.2,-23.56,;13.87,-22.78,;13.87,-21.24,;12.54,-20.48,;11.2,-21.24,;9.86,-20.48,;11.2,-22.78,;9.86,-23.56,;12.54,-23.56,;17.87,-25.09,;19.2,-25.86,;20.53,-25.09,;20.53,-23.56,)|
CC(=O)N1CCC(CC1)Nc1ncnc2n(cnc12)[C@@H]1C[C@@H](C1)NC(=O)c1cccc(C)n1 |r,wU:19.21,21.26,(17.13,-19.64,;18.45,-20.43,;18.43,-21.97,;19.8,-19.68,;21.12,-20.47,;22.46,-19.73,;22.49,-18.19,;21.17,-17.39,;19.82,-18.14,;23.84,-17.44,;25.16,-18.23,;25.13,-19.77,;26.45,-20.56,;27.8,-19.82,;27.82,-18.28,;28.99,-17.27,;28.38,-15.85,;26.85,-15.98,;26.5,-17.48,;30.49,-17.61,;31.3,-18.92,;32.61,-18.1,;31.79,-16.79,;34.11,-18.45,;35.16,-17.32,;36.66,-17.66,;34.79,-15.83,;33.31,-15.4,;32.93,-13.91,;34.04,-12.84,;35.52,-13.26,;36.63,-12.19,;35.89,-14.75,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:10.10,12.15,(35.5,-22.63,;34.42,-23.72,;32.93,-23.33,;31.84,-24.42,;32.24,-25.9,;33.73,-26.3,;34.82,-25.21,;34.13,-27.79,;35.63,-28.1,;33.1,-28.93,;31.59,-28.61,;30.31,-29.46,;29.46,-28.16,;30.75,-27.33,;27.95,-27.85,;27.33,-26.44,;25.8,-26.6,;25.48,-28.11,;24.15,-28.88,;22.81,-28.11,;21.47,-28.89,;20.14,-28.12,;18.81,-28.89,;18.81,-30.43,;20.14,-31.2,;21.48,-30.43,;17.48,-31.2,;16.15,-30.44,;17.48,-32.74,;16.15,-33.52,;16.16,-35.05,;14.82,-32.76,;14.81,-34.27,;24.15,-30.42,;25.48,-31.19,;26.82,-30.42,;26.81,-28.88,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(F)cc3)ncnc12 |r,wU:12.15,10.10,(29.02,-22.38,;27.93,-23.46,;26.44,-23.06,;25.35,-24.16,;25.75,-25.64,;27.24,-26.04,;28.33,-24.95,;27.64,-27.52,;29.15,-27.85,;26.61,-28.67,;25.1,-28.35,;23.81,-29.19,;22.97,-27.9,;24.26,-27.06,;21.47,-27.58,;20.84,-26.17,;19.31,-26.33,;18.99,-27.84,;17.65,-28.61,;16.32,-27.84,;14.99,-28.61,;13.66,-27.84,;12.32,-28.61,;10.99,-27.84,;10.99,-26.3,;9.65,-25.53,;12.32,-25.53,;13.66,-26.3,;17.65,-30.15,;18.99,-30.92,;20.32,-30.15,;20.32,-28.61,)|
COc1cccc(Nc2ncnc3n(cnc23)[C@@H]2C[C@@H](C2)NC(=O)c2cccc(C)n2)c1 |r,wU:17.18,19.23,(16.66,-26.35,;15.34,-25.58,;15.33,-24.04,;13.98,-23.27,;13.99,-21.72,;15.34,-20.96,;16.66,-21.74,;18.01,-20.97,;19.35,-21.76,;19.35,-23.3,;20.69,-24.07,;22.02,-23.3,;22.02,-21.75,;23.17,-20.71,;22.55,-19.33,;21.02,-19.48,;20.69,-20.98,;24.67,-20.96,;25.58,-22.22,;26.82,-21.33,;25.91,-20.07,;28.34,-21.57,;29.31,-20.39,;30.84,-20.63,;28.76,-18.95,;27.24,-18.7,;26.68,-17.26,;27.67,-16.05,;29.19,-16.31,;30.18,-15.11,;29.74,-17.76,;16.66,-23.28,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NC3CCNCC3)ncnc12 |r,wU:12.15,10.10,(29.95,-17.13,;28.87,-18.21,;27.38,-17.81,;26.3,-18.91,;26.7,-20.4,;28.18,-20.79,;29.27,-19.7,;28.58,-22.27,;30.08,-22.6,;27.55,-23.43,;26.04,-23.1,;24.75,-23.94,;23.91,-22.65,;25.2,-21.81,;22.41,-22.33,;21.78,-20.92,;20.25,-21.09,;19.93,-22.59,;18.6,-23.37,;17.27,-22.59,;15.93,-23.37,;14.59,-22.59,;13.26,-23.37,;13.26,-24.91,;14.6,-25.67,;15.93,-24.91,;18.6,-24.91,;19.93,-25.67,;21.26,-24.91,;21.26,-23.37,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12 |r,wU:12.15,10.10,(32.81,-21.74,;31.71,-22.82,;30.22,-22.42,;29.14,-23.52,;29.54,-25,;31.02,-25.4,;32.11,-24.31,;31.42,-26.88,;32.93,-27.21,;30.39,-28.04,;28.88,-27.71,;27.59,-28.55,;26.76,-27.26,;28.05,-26.42,;25.25,-26.94,;24.62,-25.53,;23.09,-25.69,;22.77,-27.2,;21.44,-27.97,;20.1,-27.2,;18.77,-27.97,;17.44,-27.2,;17.44,-25.66,;16.1,-24.89,;14.77,-25.66,;13.43,-24.89,;14.77,-27.2,;13.43,-27.97,;16.1,-27.97,;21.44,-29.51,;22.77,-30.28,;24.1,-29.51,;24.1,-27.97,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12 |r,wU:12.15,10.10,(29.63,-23.6,;28.54,-24.68,;27.05,-24.28,;25.97,-25.38,;26.36,-26.86,;27.85,-27.26,;28.94,-26.17,;28.25,-28.74,;29.75,-29.07,;27.22,-29.89,;25.71,-29.57,;24.42,-30.41,;23.58,-29.12,;24.87,-28.28,;22.07,-28.8,;21.45,-27.39,;19.92,-27.55,;19.6,-29.06,;18.27,-29.83,;16.93,-29.06,;15.59,-29.83,;14.26,-29.06,;12.93,-29.83,;11.6,-29.06,;11.6,-27.52,;12.93,-26.75,;14.26,-27.52,;18.27,-31.37,;19.6,-32.14,;20.93,-31.37,;20.93,-29.83,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCCCC3)ncnc12 |r,wU:12.15,10.10,(34.03,-20.69,;32.94,-21.78,;31.45,-21.38,;30.37,-22.47,;30.76,-23.96,;32.25,-24.35,;33.34,-23.27,;32.65,-25.84,;34.15,-26.16,;31.62,-26.99,;30.11,-26.67,;28.82,-27.5,;27.98,-26.21,;29.27,-25.38,;26.47,-25.89,;25.85,-24.49,;24.32,-24.65,;24,-26.15,;22.67,-26.93,;21.33,-26.15,;20,-26.93,;18.66,-26.15,;17.33,-26.93,;16,-26.15,;16,-24.61,;17.33,-23.85,;18.66,-24.61,;22.67,-28.47,;24,-29.23,;25.33,-28.47,;25.33,-26.93,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCC3CCN(CC3)C(=O)OC(C)(C)C)ncnc12 |r,wU:12.15,10.10,(33.46,-18.55,;32.37,-19.63,;30.88,-19.22,;29.79,-20.32,;30.18,-21.8,;31.67,-22.2,;32.76,-21.12,;32.06,-23.69,;33.56,-24.01,;31.02,-24.84,;29.51,-24.51,;28.22,-25.33,;27.39,-24.04,;28.69,-23.22,;25.88,-23.71,;25.26,-22.31,;23.73,-22.46,;23.4,-23.97,;22.07,-24.74,;20.74,-23.96,;19.41,-24.73,;18.07,-23.95,;18.08,-22.41,;16.75,-21.64,;15.41,-22.4,;15.41,-23.94,;16.73,-24.72,;14.08,-21.63,;14.09,-20.09,;12.74,-22.39,;11.41,-21.62,;10.08,-20.84,;11.42,-20.09,;10.08,-22.38,;22.06,-26.28,;23.39,-27.05,;24.73,-26.29,;24.74,-24.75,)|
Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccc(Br)c3)ncnc12 |r,wU:12.15,10.10,(36.41,-23.55,;35.32,-24.63,;33.83,-24.23,;32.74,-25.33,;33.14,-26.81,;34.63,-27.21,;35.72,-26.12,;35.02,-28.69,;36.54,-29.01,;33.99,-29.84,;32.49,-29.52,;31.2,-30.36,;30.36,-29.07,;31.65,-28.23,;28.86,-28.74,;28.23,-27.34,;26.7,-27.5,;26.37,-29.01,;25.04,-29.78,;23.71,-29.01,;22.38,-29.78,;21.04,-29.01,;21.04,-27.47,;19.7,-26.7,;18.37,-27.47,;18.37,-29.01,;17.04,-29.78,;19.7,-29.78,;25.04,-31.32,;26.37,-32.09,;27.71,-31.32,;27.71,-29.78,)|
O=C(N[C@H]1C[C@H](C1)n1cnc2c(NCc3cccnc3)ncnc12)c1cccc(n1)-c1ccccc1 |r,wU:5.7,3.2,(29.63,-26.83,;28.12,-26.52,;27.09,-27.66,;25.59,-27.34,;24.29,-28.19,;23.45,-26.89,;24.74,-26.05,;21.95,-26.58,;21.32,-25.17,;19.78,-25.33,;19.46,-26.84,;18.13,-27.61,;16.8,-26.84,;15.47,-27.61,;14.13,-26.84,;12.8,-27.62,;11.47,-26.85,;11.47,-25.31,;12.8,-24.54,;14.13,-25.3,;18.13,-29.15,;19.47,-29.92,;20.81,-29.15,;20.81,-27.61,;27.72,-25.03,;26.23,-24.63,;25.83,-23.15,;26.92,-22.06,;28.41,-22.45,;28.8,-23.94,;29.49,-21.36,;29.09,-19.88,;30.18,-18.79,;31.67,-19.18,;32.06,-20.67,;30.98,-21.76,)|
COc1ccnc2c1c(-c1ccnc(N)n1)c1ccnc(N)n21
COc1ccnc2[nH]cc(-c3ccncn3)c12
Oc1ccnc2[nH]cc(-c3ccncn3)c12
COc1ccnc2[nH]cc(-c3ccnc(SC)n3)c12
Nc1nccc(n1)-c1c[nH]c2nccc(Cl)c12
Cn1cc(-c2ccnc(N)n2)c2c(O)ccnc12
CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Nc1nccc(n1)-c1c[nH]c2nc(Br)ccc12
COCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1F)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(Cl)c1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c3ccccc3cc3ccccc13)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccc(Cl)cc1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1)cc2=O |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1Cl)cc2=O |r|
NC(=O)c1c(O)cc(O)c2c3nc[nH]c(=O)c3oc12
NC(=O)c1c(O)cc(O)c2c1oc1c2[nH]c(=O)[nH]c1=O
NC(=O)c1c(O)cc(O)c2c1oc1c(N)ncnc21
CC(=O)C1C(=O)C=C2Oc3c(c(O)cc(O)c3C(N)=O)[C@]2(C)C1=O |r,t:6|
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1ccc(cc1)C#N
Clc1ccc2nc(nc(Nc3cc([nH]n3)C3CC3)c2c1)-c1cccc(c1)C#N
N#Cc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
N#Cc1ccc(cc1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
NS(=O)(=O)c1ccc(s1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1
NS(=O)(=O)c1ccc(s1)-c1nccc(Nc2cc([nH]n2)C2CC2)n1
NS(=O)(=O)c1ccc(s1)-c1ncc(C#N)c(Nc2cc([nH]n2)C2CC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cc(ccc2Cl)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)C(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C(=O)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1F
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Cc1nc(N)sc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
NCCOCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:21.21,t:18|
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15|
NCCOCCOCCO
NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccccc3)C(=O)N2)cc1 |w:18.18,t:15|
O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
O=C1NC(Nc2ccccc2)=NC1=Cc1ccccc1 |w:13.15,c:11|
[#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-[#7](-[#6]-[#6])-[#6]-[#6])o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-n2ccnc2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-n2cccn2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-n2cc(-[#6])cn2)o1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1csc(n1)-c1ccsc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1csc(n1)-c1cccs1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccccn1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1cccc(-[#6])n1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#6]-[#8]-c1cccc(n1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#6](-[#8])=O |r|
[#6]-[#6]-[#8]-c1cccc(n1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(F)cc1)-[#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]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-c1ccc(cn1)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1 |r|
[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1 |r|
[#6]-[#6](-[#6])-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1 |r|
[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2ccc(F)cc2)-[#6](-[#8])=O)cc1-[#8]-[#6]-[#6] |r|
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1c(C)noc1C
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1C
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(c1)C(F)F
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(CC(F)(F)F)c1
COc1ccc(cc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(F)(F)F
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cncnc3)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnccn3)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cccnc3)cc2n1C(=O)OC(C)(C)C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnco3)cc2n1C(=O)OC(C)(C)C
Cn1ccc(n1)-c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2[nH]1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2n1C(=O)OC(C)(C)C
CN(C)S(=O)(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2n1C(=O)OC(C)(C)C
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn(C)nc2C(F)(F)F)c(OC)c1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccccc3Cl)cc2[nH]1
COc1cc(ccc1Nc1cc2[nH]c(cc2cn1)-c1cnn(C)c1)C(=O)N(C)C
CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5
COC1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
CCOc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
CN(C)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cncn1C
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCC3)cc2n1C(=O)OC(C)(C)C
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2[nH]1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cnco1
COC1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)c(Cl)c1
COc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Clc1ccccc1Nc1cc2[nH]c(cc2cn1)-c1cn[nH]c1
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)C(=O)N3CCS(=O)(=O)CC3)cc2n1C(=O)OC(C)(C)C
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnn(C)c2)c(Cl)c1
C(CN1CCOCC1)Oc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
CN(C)C(=O)c1ccc(Nc2cc3n(C(=O)OC(C)(C)C)c(cc3cn2)-c2cnco2)c(Cl)c1
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1OC
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
C(c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1)n1cccn1
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
c1cc(cc(c1)C(F)(F)F)CC(=O)Nc2cc(ccc2F)Oc3ccc4c(c3C#N)sc(n4)NC(=O)C5CC5
COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cnn(C)c2)nc1
Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)OCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCC1CCCCC1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1 |r,wU:11.11,wD:14.18,(23.87,-32.62,;24.64,-31.28,;26.18,-31.28,;26.95,-32.62,;28.49,-32.62,;29.26,-31.28,;30.81,-31.28,;31.58,-32.62,;30.81,-33.95,;29.26,-33.95,;23.87,-29.95,;24.64,-28.61,;23.87,-27.28,;24.64,-25.95,;26.18,-25.95,;26.95,-27.28,;26.18,-28.61,;26.95,-24.61,;28.49,-24.61,;29.26,-23.28,;30.81,-23.28,;31.58,-24.61,;30.81,-25.95,;29.26,-25.95,;33.12,-24.61,;34.66,-24.61,;22.32,-29.95,;21.56,-31.28,;20.01,-31.28,;19.24,-29.95,;20.01,-28.61,;21.56,-28.61,;17.7,-29.95,;16.93,-31.28,;15.39,-31.28,;14.61,-29.95,;15.39,-28.61,;16.93,-28.61,)|
O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccccc1 |r,wU:11.11,wD:14.18,(25.33,-38.6,;25.33,-37.05,;26.66,-36.28,;27.99,-37.05,;29.32,-36.28,;29.32,-34.75,;30.66,-33.97,;31.99,-34.75,;31.99,-36.28,;30.66,-37.05,;23.99,-36.28,;22.66,-37.05,;22.66,-38.6,;21.33,-39.36,;20,-38.6,;20,-37.05,;21.33,-36.28,;18.67,-39.36,;17.34,-38.6,;16,-39.36,;14.67,-38.6,;14.67,-37.05,;16,-36.28,;17.34,-37.05,;13.34,-36.28,;12,-35.51,;23.99,-34.75,;22.66,-33.97,;22.66,-32.44,;23.99,-31.67,;25.33,-32.44,;25.33,-33.97,)|
Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cccc(n1)C#N
CCNC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:6.5,wD:9.12,(20.34,-20.62,;21.68,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.61,-22.92,;18.97,-26.02,;17.63,-25.26,;16.3,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.58,-23.73,;26.95,-23.02,;28.25,-23.85,;28.18,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.43,-26.75,;30.92,-25.65,)|
Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
CC(=O)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wD:7.10,4.3,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F
COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:5.4,wD:8.11,(21.69,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.62,-22.92,;18.97,-26.02,;17.63,-25.26,;16.31,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.59,-23.73,;26.96,-23.02,;28.26,-23.85,;28.19,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.44,-26.75,;30.92,-25.66,)|
Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O |r,wU:13.13,wD:16.20,(21.82,-25.31,;22.6,-26.64,;21.82,-27.98,;22.6,-29.31,;24.13,-29.31,;24.91,-27.98,;26.45,-27.98,;27.22,-29.31,;28.76,-29.31,;29.53,-27.98,;28.76,-26.64,;27.22,-26.64,;31.08,-27.98,;31.85,-26.64,;31.08,-25.31,;31.85,-23.97,;33.39,-23.97,;34.16,-25.31,;33.39,-26.64,;34.16,-22.64,;35.7,-22.64,;36.47,-21.3,;38.02,-21.3,;38.79,-22.64,;38.02,-23.97,;36.47,-23.97,;40.33,-22.64,;41.87,-22.64,;31.85,-29.31,;31.08,-30.65,;33.39,-29.31,;34.16,-30.65,;35.7,-30.65,;36.47,-29.31,;38.02,-29.31,;38.79,-30.65,;38.02,-31.98,;36.47,-31.98,;24.13,-26.64,;24.91,-25.31,)|
CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ncc2ccccc2n1)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(61.19,-8.94,;59.85,-9.71,;58.52,-8.94,;59.85,-11.25,;58.51,-12.02,;58.51,-13.56,;57.18,-14.32,;55.86,-13.55,;55.83,-12.02,;57.18,-11.24,;54.52,-14.32,;53.19,-13.56,;51.85,-14.33,;50.51,-13.56,;50.51,-12.01,;49.19,-11.25,;49.18,-9.72,;50.51,-8.95,;51.84,-9.71,;51.84,-11.24,;53.18,-12.01,;61.19,-12.03,;61.17,-13.56,;62.51,-14.33,;63.84,-13.57,;63.84,-12.02,;62.51,-11.25,;65.18,-14.34,;65.34,-15.87,;66.85,-16.19,;67.62,-14.85,;69.15,-14.69,;66.59,-13.71,)|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cc(ccn1)C#N
CN(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnn(C)c1)c1ccc(cn1)C#N
CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)|
Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)S(C)(=O)=O |r,wU:13.14,wD:16.21,(31.03,-25.96,;29.49,-26.06,;28.51,-24.88,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;25.77,-24.62,;25.84,-23.08,;24.54,-22.26,;23.17,-22.98,;23.11,-24.52,;24.41,-25.34,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;21.93,-20.61,;23.25,-19.82,;20.58,-19.86,;21.53,-19.11,)|
Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)CCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|
Cn1cc(cn1)-c1ccc(N[C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)cc1 |r,wU:11.11,wD:14.18,(31.03,-25.96,;29.49,-26.06,;28.51,-24.88,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;25.77,-24.62,;25.84,-23.08,;24.54,-22.26,;23.17,-22.98,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.11,-24.52,;24.41,-25.34,)|
Cn1c(cccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(12.97,-30.07,;12.2,-31.41,;12.97,-32.74,;12.2,-34.08,;10.66,-34.08,;9.88,-32.74,;10.66,-31.41,;9.88,-30.07,;14.51,-32.74,;15.28,-34.08,;16.83,-34.08,;17.59,-32.74,;16.83,-31.41,;15.28,-31.41,;19.14,-32.74,;19.91,-31.41,;19.14,-30.07,;19.91,-28.74,;21.45,-28.74,;22.22,-30.07,;21.45,-31.41,;22.22,-27.4,;23.76,-27.4,;24.53,-26.07,;26.08,-26.07,;26.85,-27.4,;26.08,-28.74,;24.53,-28.74,;28.39,-27.4,;29.93,-27.4,;19.91,-34.08,;19.14,-35.41,;21.45,-34.08,;22.22,-35.41,;23.76,-35.41,;24.53,-34.08,;26.08,-34.08,;26.85,-35.41,;26.08,-36.75,;24.53,-36.75,)|
Cn1ccc(cc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(13.41,-28.38,;14.96,-28.38,;15.73,-29.72,;17.27,-29.72,;18.04,-28.38,;17.27,-27.05,;15.73,-27.05,;14.96,-25.71,;19.58,-28.38,;20.35,-29.72,;21.9,-29.72,;22.67,-28.38,;21.9,-27.05,;20.35,-27.05,;24.21,-28.38,;24.98,-27.05,;24.21,-25.71,;24.98,-24.38,;26.52,-24.38,;27.29,-25.71,;26.52,-27.05,;27.29,-23.04,;28.84,-23.04,;29.6,-21.71,;31.15,-21.71,;31.92,-23.04,;31.15,-24.38,;29.6,-24.38,;33.46,-23.04,;35.01,-23.04,;24.98,-29.72,;24.21,-31.05,;26.52,-29.72,;27.29,-31.05,;28.84,-31.05,;29.6,-29.72,;31.15,-29.72,;31.92,-31.05,;31.15,-32.38,;29.6,-32.38,)|
Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccccn1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)C2CCCCC2)cc1
Cn1cc(NC(=O)c2c(Cl)cccc2Cl)c(n1)C(=O)NC1CCN(CC1)C(=O)c1c(Cl)cccc1Cl
N[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(46.13,-48.47,;45.35,-47.14,;43.81,-47.15,;43.04,-45.82,;43.8,-44.49,;45.33,-44.47,;46.11,-45.8,;43.02,-43.17,;41.48,-43.18,;40.69,-41.85,;40.72,-44.52,;41.64,-45.77,;40.73,-47.03,;39.26,-46.56,;39.25,-45.01,;38,-44.11,;36.45,-44.1,;35.69,-42.77,;35.68,-45.44,;36.44,-46.76,;37.98,-46.76,;35.68,-48.09,;34.13,-48.09,;33.36,-46.75,;34.14,-45.42,;33.38,-44.08,)|
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)Cc2ccccc2)cc1
Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCCCC1
COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(n1)C(=O)NC1CCCC1
Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NCC1CC1
c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2ccccc2)cc1
O[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1c(F)cccc1F |r,wU:1.0,wD:4.7,(32.02,-49.35,;31.25,-48.02,;29.71,-48.03,;28.93,-46.7,;29.69,-45.37,;31.23,-45.35,;32.01,-46.68,;28.91,-44.04,;27.37,-44.06,;26.59,-42.73,;26.61,-45.4,;27.53,-46.65,;26.63,-47.91,;25.15,-47.44,;25.14,-45.89,;23.89,-44.99,;22.35,-44.98,;21.58,-43.65,;21.57,-46.31,;22.34,-47.64,;23.88,-47.64,;21.57,-48.97,;20.02,-48.97,;19.26,-47.63,;20.03,-46.3,;19.27,-44.96,)|
Fc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CCCNC1 |r|
Fc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCN(CC1)C(=O)c1c(Cl)cccc1Cl
CCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(n1)C(=O)Nc1ccccc1
Fc1cc(F)c(C(=O)Nc2c[nH]nc2C(=O)NC2CCNCC2)c(F)c1
CCn1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)c(n1)C(=O)NCC(C)C
c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F
Nc1cccc(Nc2nc3ccccc3nc2C([O-])=O)c1
OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
c1ccc2c(c1)nc(c(n2)Nc3cccc(c3)O)C(=O)O
OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCCCC3N)nc12
CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12 |(32.15,-14.56,;33.17,-13.41,;34.68,-13.72,;32.68,-11.95,;33.59,-10.69,;32.67,-9.44,;31.2,-9.93,;29.86,-9.16,;29.86,-7.62,;31.19,-6.85,;31.18,-5.31,;32.52,-4.54,;32.52,-3,;31.18,-2.24,;29.84,-3.02,;29.85,-4.55,;28.53,-9.93,;28.53,-11.48,;27.2,-12.25,;25.86,-11.47,;25.86,-9.93,;24.54,-9.16,;23.2,-9.93,;21.87,-9.15,;23.2,-11.47,;24.53,-12.25,;29.87,-12.25,;31.21,-11.48,)|
Nc1n[nH]c(N)c1\N=N\c1ccc(O)cc1
CCC(CC)C(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(O)cc1
O=C(Nc1n[nH]c2ncc(cc12)-c1cncnc1)C1CCCCC1
CCC(=O)Nc1n[nH]c2ncc(cc12)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2[nH]nc(NC(=O)CCCl)c2c1
CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4|
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5|
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4|
O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5|
ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4|
ON1C(=O)C2=C(C1=O)c1cn(CCCCCCn3cc2c2ccccc32)c2ccccc12 |c:4|
CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4|
Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4|
ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4|
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4|
CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6|
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1)-c1nncn1C |r|
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1nncn1C
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cn(C)nc1C
COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(CCN(C)C)n1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc(C)n1C
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C)C3)c2n1)-c1nncn1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)C#N)c2n1)-c1nncn1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nncn1C
COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
CCOc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12
CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC3(C)C)c2n1)-c1nncn1C
COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nnc2CCCn12
COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)|
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
CN(C)CCN(C)C(=O)c1ccc(Nc2ncc-3c(CCc4cnc(N)nc-34)n2)cc1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)NC4CCCC4)nc-23)n1
Clc1ccc(Nc2ncc3CCc4nc(Nc5ccccc5)ncc4-c3n2)cc1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc-23)n1
Nc1ncc2CCc3nc(Nc4ccccc4)ncc3-c2n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(F)cc4)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(N)=O)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(N)cc4)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N4CCNCC4)nc-23)n1
C1Cc2nc(Nc3ccccc3)ncc2-c2nc(Nc3ccccc3)ncc12
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc-3c(CCc4cnc(N)nc-34)n2)cc1
CSc1ncc-2c(CCc3cnc(Nc4ccccc4)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(Cl)cc4)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(O)=O)nc-23)n1
CCOC(=O)c1ccc(Nc2ncc3CCc4nc(SC)ncc4-c3n2)cc1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)C)nc-23)n1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N4CCOCC4)nc-23)n1
CSc1ncc-2c(CCc3cnc(NC(=O)N4CCN(CC4)C(=O)OC(C)(C)C)nc-23)n1
Nc1ncc2CCc3nc(Nc4ccc(Cl)cc4)ncc3-c2n1
CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)|
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccccc3)nc-21
CN(C)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)nc1
CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)nc1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)N4CCOCC4)nc3-c12
CCOC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CN(C)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
CCOC(=O)c1nn(C)c-2c1C(C)Cc1cnc(Nc3ccccc3)nc-21
CC1Cc2cnc(Nc3ccccc3)nc2-c2c1c(nn2C)C(N)=O
CCNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
CN(C)c1cccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(Cl)cc4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cc4)N4CCNCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccc(cn4)N4CCOCC4)nc3-c12
Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)N4CCNCC4)nc3-c12
CCOC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccccc3)nc-21
Cc1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)cc1
CN(C)c1ccnc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
COc1cccc(NC(=O)NC2=CC(=O)CC(C)(C)C2)c1 |t:11|
Cc1cccc(c1)-c1ccc2nc(NC(=O)CCC3CCCC3)nn2c1
Clc1ccc(cc1)-c1cc(NC(=O)C2CCCCC2)[nH]n1
Cc1c(cccc1S(N)(=O)=O)-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
Cc1c(cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1)C(O)=O
Nc1nc(OCC2CCCCC2)c2nc([nH]c2n1)-c1cccc(c1)S(N)(=O)=O
Cc1c(cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1)C(N)=O
Cc1c(O)cccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
Cc1ccccc1-c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
Cc1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
CCc1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
CC(C)c1nc2c(OCC3CCCCC3)nc(N)nc2[nH]1
Nc1nc(OCC2CCCCC2)c2nc([nH]c2n1)-c1ccccc1Cl
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc34)c12
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)C(C)(C)C
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(cc1)-c1ccccc1
CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCC(N)CC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3sc(NC4CCCC4)nc3C)nc2)CC1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCCNCC2)ncc1F
CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F
Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)ncc1F
CN(C)C1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2sc(NC3CCCC3)nc2C)nc1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CN(C1CCCC1)c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
Cc1nc(sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1)N(C1CCCC1)C1CCCC1
Cc1nc(Nc2ccccc2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN(c1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1)c1ccccc1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCCNCC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C(C)=O)n1
CC(C)Nc1nc(C)c(s1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCOCC2)n1
FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C=O)n1
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(=S)n4ccnc4)CCc3n2)ncc1F
CCn1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
C[C@H]1CC[C@@H](CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F |r,wU:4.7,wD:1.0,(6.44,7.83,;6.04,6.35,;4.55,5.95,;4.15,4.46,;5.24,3.37,;6.73,3.77,;7.13,5.26,;4.84,1.88,;5.75,.64,;7.29,.64,;4.84,-.61,;3.38,-.13,;2.05,-.9,;2.05,-2.44,;.71,-.13,;.71,1.41,;2.05,2.18,;3.38,1.41,;-.62,2.18,;-1.95,1.41,;-3.29,2.18,;-4.62,1.41,;-4.62,-.13,;-3.29,-.9,;-3.29,-2.44,;-4.62,-3.21,;-4.62,-4.75,;-5.96,-5.52,;-5.96,-7.06,;-4.62,-7.83,;-3.29,-7.06,;-1.95,-7.83,;-3.29,-5.52,;-7.29,-4.75,;-7.29,-3.21,;-5.96,-2.44,;-5.96,-.9,;-3.29,3.72,;-1.95,4.49,;-.62,3.72,;.71,4.49,)|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(\C)=N\O)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=S)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC[Si](C)(C)C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CCNC(N)=N)CCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C)c4c3)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CC#C)CCc3n2)ncc1F
CCOP(=O)(OCC)N(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)P(C)(C)=O)CCc3n2)ncc1F
CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO
COc1ccc(OC)c2c1[nH]c1ccccc1c2=S
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
Clc1[nH]c2ccccc2c1\C=C1\C(=O)Nc2ccccc12
CC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
Cc1nc2c(s1)C(=O)C=C(Nc1ccc(C)cc1)C2=O |t:9|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N
Nc1n[nH]c2nc3ccccc3nc12
CCCCOc1c(c[nH]c2nncc12)C(=O)c1c(F)cc(C)cc1F
CCOC(=O)c1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N
CCNc1cc(N[C@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,wD:7.6,(-2.06,7.78,;-2.83,6.45,;-4.37,6.45,;-5.14,5.11,;-4.37,3.78,;-5.14,2.45,;-4.37,1.11,;-5.14,-.22,;-6.68,-.22,;-7.45,-1.55,;-6.68,-2.89,;-7.45,-4.22,;-5.14,-2.89,;-4.37,-1.55,;-6.68,2.45,;-7.45,3.78,;-8.99,3.78,;-9.46,2.32,;-10.97,2,;-11.44,.53,;-10.41,-.61,;-10.57,-2.14,;-11.91,-2.91,;-13.24,-2.14,;-13.24,-.6,;-14.57,.17,;-15.91,-.6,;-15.91,-2.14,;-14.57,-2.91,;-9.17,-2.77,;-8.14,-1.63,;-8.91,-.29,;-8.43,1.17,;-6.68,5.11,)|
CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
CCN(CC)C(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CCS(=O)(=O)c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3
CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c(F)cc(F)cc5[nH]4)c3c2)c1C
OCCNc1nc(Nc2cccc(F)c2)c2cn[nH]c2n1
C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCCO)nc(OCC2CCCCC2)c1N=O
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Cc1ccc2nc(Nc3nc(Nc4ccc(cc4)S(N)(=O)=O)ncc3F)sc2c1
NS(=O)(=O)c1ccc(Nc2nccc(Nc3nc4ccc(F)cc4s3)n2)cc1
Cc1cnc(Nc2ccc(cc2)S(N)(=O)=O)nc1Nc1nc2ccccc2s1
Cc1cnc(Nc2ccc(cc2)S(C)(=O)=O)nc1Nc1nc2ccccc2s1
CS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3nc4ccccc4s3)n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc(F)c(Nc3nc4ccccc4s3)n2)cc1
Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1)N1CCNCC1
CN1CCN(CC1)c1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(Oc3c(C)n[nH]c3C)c2o1
COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
COc1cc(O)c2c(oc(cc2=O)-c2ccc(cc2)N2CCN(C)CC2)c1Oc1c(C)n[nH]c1C
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cccc(\C=C\C(=O)NO)c3)nc(nc12)N1CCOCC1
CCn1cnc2c(NCc3cccc(\C=C\C(=O)NO)c3)nc(nc12)N1CCOCC1
[O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1
NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Cc1cccc(Nc2ncc3CCCCc3n2)c1
Cc1ccccc1Nc1ncc2CCCCc2n1
Cc1ccc(Nc2ncc3CCCCc3n2)cc1
COc1cccc(Nc2ncc3CCCCc3n2)c1
CCc1cccc(Nc2ncc3CCCCc3n2)c1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc(NC(=O)C3(CC3)C(=O)Nc3ccc(C)cc3)cc2)ncc1F
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
Clc1cccc(NC(=O)COc2ccc(cc2)-c2nc3ccccc3c(=O)[nH]2)c1
COc1ccccc1NC(=O)COc1ccc(cc1OC)-c1nc2ccccc2c(=O)[nH]1
COc1cc(ccc1OS(C)(=O)=O)-c1nc2ccccc2c(=O)[nH]1
COc1ccc(cc1OCC(=O)NC1CCCCC1)-c1nc2ccccc2c(=O)[nH]1
O=C(CCC(=O)N1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1)NCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12
Cc1ccccc1Nc1nc(Nc2cccnc2)ncc1Cl
Cc1ccccc1Nc1nc(NC2CC2)ncc1Cl
Cc1ccccc1Nc1nc(NC2CCCCC2)ncc1Cl
Cc1ccccc1Nc1nc(Nc2ccccc2)ncc1Cl
Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)cc1
Cc1ccccc1Nc1nc(NCc2ccccc2)ncc1Cl
Cc1ccccc1Nc1nc(NCCc2ccccc2)ncc1Cl
Cc1ccccc1Nc1nc(NCc2ccco2)ncc1Cl
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
Cc1ccccc1Nc1nc(Nc2ccccn2)ncc1Cl
Cc1ccccc1Nc1nc(Nc2cc(Cl)ccn2)ncc1Cl
Cc1ccccc1Nc1nc(Nc2ccncc2)ncc1Cl
COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)ccn1
Cc1ccccc1Nc1nc(NCc2ccncc2)ncc1Cl
Cc1ccccc1Nc1nc(NCCc2ccccn2)ncc1Cl
Cc1ccccc1Nc1nc(NCCc2cccnc2)ncc1Cl
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)nc1
CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)nc1
Cc1ccccc1Nc1nc(Nc2ccc(cn2)N2CCNCC2)ncc1Cl
Cc1ccccc1Nc1nc(Nc2ccc(cn2)N2CCOCC2)ncc1Cl
Cc1ccccc1Nc1nc(Nc2ccc(cn2)N2CCCCC2)ncc1Cl
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)cc1
CCN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)cc1
Cc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1Cl
Cc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1Cl
Cc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCCCC2)ncc1Cl
CN1CCCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3ccccc3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3ccc(cc3)C(F)(F)F)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3ccc(C)cc3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3ccc(F)cc3)n2)nc1
COc1ccc(CNc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)cc1
COc1cccc(CNc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)c1
COc1ccccc1CNc1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1Cl
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCCc3ccccc3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCCc3ccc(F)cc3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCCc3ccccc3F)n2)nc1
COc1ccc(CCNc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)cc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NCc3ccco3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(C)cc3)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(C)c3)n2)nc1
CCc1ccc(Nc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)cc1
CC(C)c1ccc(Nc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)cc1
CC(C)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)c1
CC(C)c1ccccc1Nc1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1Cl
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccc(cc3)C(C)(C)C)n2)nc1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3c(C)cc(C)cc3C)n2)nc1
COc1ccc(Nc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)cc1
COc1cccc(Nc2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2Cl)c1
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(C)=O)c3)n2)nc1
CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1
c1cc2c(cc1Cl)C(=O)C(=O)N2
NNc1ccc(cc1)S(N)(=O)=O
NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1
Nc1ccccc1NC(=O)Cc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)cc1
C[C@H](CO)n1cnnc1-c1cccc(NC(=O)Nc2cc3ccccn3n2)n1 |r|
COc1ccc(cc1OC)C1Nc2c(ncn2-c2ccc(N3CCN(C)CC3)c(c2)[N+]([O-])=O)C(=N1)C(N)=O |c:37|
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CC[C@H]([C@@H]1CO)c1c(OP(O)(O)=O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
Nc1nccc(n1)-c1c2cccnc2n2c(N)nccc12
c1ccc(c(c1)C(=O)c2c(nc(s2)N[C@H]3C[C@@H]4CC[C@H]3C4)N)[N+](=O)[O-]
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2C(F)C(C)(C)CC(=O)c12)-c1ccccn1
COC1c2c(c(C)nn2-c2ccccn2)C(=O)CC1(C)C
Cc1nn(c2C(O)C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2C(Cl)C(C)(C)CC(=O)c12)-c1ccccn1
CC1c2c(c(C)nn2-c2ccccn2)C(=O)CC1(C)C
CN(C)C1c2c(c(C)nn2-c2ccccn2)C(=O)CC1(C)C
Cc1nn(c2C(Sc3ccccc3)C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2C(C(C)(C)CC(=O)c12)S(=O)(=O)c1ccccc1)-c1ccccn1
Cc1nn(c2C(N=[N+]=[N-])C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2C(N)C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2C(Br)CCC(=O)c12)-c1ccccn1
CC1CC(=O)c2c(C)nn(c2C1Br)-c1ccccn1
CC(C)C1CC(=O)c2c(C)nn(c2C1Br)-c1ccccn1
Cc1nn(c2C(Br)C(CC(=O)c12)c1ccccc1)-c1ccccn1
Cc1nn(c2C(Br)C(C)(C)CC(O)c12)-c1ccccn1
Cc1nn(c2C(Br)C(C)(C)C\C(=N/O)c12)-c1ccccn1
CC1(C)Cc2c(cnn2-c2ccccn2)C(=O)C1
CC1(C)CC(=O)c2cnn(c2C1Br)-c1ccccn1
CC(C)Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccccn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ncccc1C
Cc1nn(c2CC(C)(C)C(Br)C(=O)c12)-c1ncccc1C
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ncccc1C(F)(F)F
Cc1nn(c2CC(C)(C)C(Br)C(=O)c12)-c1ncccc1C(F)(F)F
Cc1nn(c2CC(C)(C)CC(=O)Nc12)-c1ccccn1
Cc1nn(c2CC(C)(C)CNC(=O)c12)-c1ccccn1
Cc1nn(c2C(Br)C(C)(C)CNC(=O)c12)-c1ccccn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ncccn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1cnccn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncc1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(C)cn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(Cl)cn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(Cl)nn1
Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12
Cc1nn(-c2nc3ccccc3s2)c2C(Br)C(C)(C)CC(=O)c12
Cc1nn(CCC#N)c2C(Br)C(C)(C)CC(=O)c12
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccncn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(cn1)C(F)(F)F
COc1cccc(n1)-n1nc(C)c2c1C(Br)C(C)(C)CC2=O
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(cn1)[N+]([O-])=O
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(N)cn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
COC(=O)CC(=O)Nc1ccc(nc1)-n1nc(C)c2c1C(Br)C(C)(C)CC2=O
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(NS(N)(=O)=O)cn1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc(NS(C)(=O)=O)cn1
CC(=O)Nc1ccc(nc1)-n1nc(C)c2c1C(Br)C(C)(C)CC2=O
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccc2ccccc2c1
Cc1nn(c2C(Br)C(C)(C)CC(=O)c12)-c1ccccc1
NS(=O)(=O)c1ccc(Nc2nc(-c3cccc(c3)-c3ccccc3)c3nc[nH]c3n2)cc1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccncc3)c2F)cc1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccc(F)nc3)c2F)cc1
Cc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
COc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
Nc1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(-c3ccccc3)c2F)cc1
Oc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
OCc1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
COC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
NC(=O)c1cccc(c1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F
CN1CCC(CNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
CN1CCN(CCNC(=O)c2cccc(c2)-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)CC1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(c2F)-c2cccc(c2)C(=O)NCCCN2CCOCC2)cc1
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c2c(F)ccc(c2F)-c2cc(ccc2F)C(=O)NCCCN2CCOCC2)cc1
Cc1ccc(cc1-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F)C(=O)NCCCN1CCOCC1
c1cn2c(n1)C(=CNC2=O)C3CCCCC3
CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21
CC(=O)c1c(C)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n2cc(nc12)C(C)(C)C
Cc1ccc(Nc2nc(Cl)nc3n(Cc4ccc(cc4)C(=O)Nc4ccccc4N)cnc23)cc1
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc(c[nH]2)-c2ccccc2)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3[nH]2)cc1Cl |c:4|
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1Cl |c:4|
CC(=O)c1c(C)c2ccc(Nc3nccc(n3)-c3cccnc3)cc2oc1=O
COc1ccccc1-c1ccnc(Nc2ccc3c(C)c(C(C)=O)c(=O)oc3c2)n1
COc1ccccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CCc1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccccc3OC)cc2oc1=O
COc1ccccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCNCC2)n1
COc1ccccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCCNCC2)n1
COc1ccccc1-c1cc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncn1
COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CCC(=O)c1c(N2CCOCC2)c2ccc(Nc3nccc(n3)-c3ccc(F)cc3OC)cc2oc1=O
COc1cc(F)ccc1-c1ccnc(Nc2ccc3c(cc(=O)oc3c2)N2CCOCC2)n1
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCN(C)CC4)c(C(C)=O)c(=O)oc3c2)ncc1F
CCN1CCN(CC1)c1c(C(C)=O)c(=O)oc2cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)ccc12
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCCNCC4)c(C(C)=O)c(=O)oc3c2)ncc1F
CCC(=O)c1c(N2CCOCC2)c2ccc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc2oc1=O
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)ncc1Cl
COc1cc(F)ccc1-c1nc(Nc2ccc3c(N4CCN(C)CC4)c(C(C)=O)c(=O)oc3c2)ncc1Cl
CCCCNc1nc2ccc(cc2[nH]1)[N+]([O-])=O
CCCCNc1nc2cc(ccc2s1)[N+]([O-])=O
O=C(C=CNc1cc(nn1-c1ccccc1)-c1ccccc1)c1ccccc1
Fc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
Clc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
Brc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
Cc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
COc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
O=C(C=CNc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccs1
c1ccc(cc1)-c1nn(-c2ccccc2)c2nccc(-c3ccccc3)c12
Fc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Clc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Brc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Cc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
COc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
c1csc(c1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
N#Cc1c(nc2n(nc(-c3ccccc3)c2c1-c1ccc(cc1)N1CCCCC1)-c1ccccc1)-c1ccccc1
N#Cc1c(nc2n(nc(-c3ccccc3)c2c1-c1ccc(cc1)N1CCOCC1)-c1ccccc1)-c1ccccc1
CN1CCN(CC1)c1ccc(cc1)-c1c(C#N)c(nc2n(nc(-c3ccccc3)c12)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCCCC2)c1C#N)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCN(C)CC2)c1C#N)-c1ccccc1
Clc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCCCC2)c1C#N)-c1ccccc1
Clc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCOCC2)c1C#N)-c1ccccc1
CN1CCN(CC1)c1ccc(cc1)-c1c(C#N)c(nc2n(nc(-c3ccccc3)c12)-c1ccccc1)-c1ccc(Cl)cc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccncc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cccnc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cncnc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1cnc(N)nc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]ncc2c1
CN(C)c1nccn2c(-c3cnn(C)c3)c(nc12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccccc1
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccccc1
CN(C)c1nccn2c(c(nc12)-c1ccccc1)-c1ccnc(N)n1
CSc1nccc(n1)-c1c(nc2c(Cl)nccn12)-c1ccc(F)cc1
CSc1nccc(n1)-c1c(nc2c(nccn12)N(C)C)-c1ccc(F)cc1
CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccnc(N)n1
CSc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
Nc1nccc(n1)-c1c(nc2c(N)nccn12)-c1ccc(F)cc1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(O)c2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1Cl
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C
CC(=O)N1CCN(CC1)c1cccc(Nc2ncc3CCc4nc(N)sc4-c3n2)c1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)S(C)(=O)=O)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCNCC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNC(=O)CC2)ncc1C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN3CCC2CC3)ncc1C |THB:16:18:22.23:26.25,(4.01,-25.19,;4.78,-26.52,;4,-27.85,;2.46,-28,;2.12,-29.52,;.78,-30.28,;3.46,-30.3,;4.62,-29.27,;3.45,-31.83,;4.77,-32.61,;4.75,-34.15,;6.08,-34.92,;7.42,-34.16,;8.75,-34.92,;10.08,-34.16,;10.08,-32.61,;8.75,-31.85,;7.42,-32.62,;8.74,-30.31,;9.82,-31.09,;9.43,-29.51,;7.91,-28.84,;7.84,-27.32,;7.18,-28.55,;7.26,-30.38,;6.2,-31.14,;6.52,-29.6,;3.43,-34.91,;2.1,-34.14,;2.11,-32.6,;.78,-31.83,)|
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1C(F)(F)F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCNCC2)ncc1C(F)(F)F
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1C=C
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)ncc1Br
CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1)C(F)(F)F
CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
CNc1nc(C2CC2)c(s1)-c1ccnc(Nc2cccc(c2)C(=O)NC2CCN(C)CC2)n1
CNc1nc(C(C)C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N2CCN(CC2)C(C)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCCCCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCNCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(cc(c2)N2CCN(CC2)C(C)=O)N2CCN(CC2)C(C)=O)n1
CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCN(CC2)C(C)=O)N2CCN(CC2)C(C)=O)ncc1C#N
CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCN(CC2)C(C)=O)N2CCN(CC2)C(C)=O)ncc1C
CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCl)nc2n(C2CCCC2)c1=O
CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Br)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)nc1-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|
C\C=C\C(=O)Nc1cc(F)c(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
COc1cc(NC(=O)\C=C\C)c(C)cc1N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|
CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(N4CCOCC4)c(C(C)=O)c(=O)oc3c2)n1
CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1
Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1c[nH]nc1C(F)(F)F
Fc1cc2[nH]ncc2c2c3CCCCc3c(nc12)-c1cn[nH]c1
Fc1cc2[nH]ncc2c2c3C4CCC(C4)c3c(nc12)-c1c[nH]nc1C(F)(F)F
OCc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
Cc1n[nH]c2ccc3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
Cc1n[nH]c2cc(F)c3nc(-c4c[nH]nc4C(F)(F)F)c4CCCCc4c3c12
ONC(=O)CCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
OC(=O)CCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2ccccc12
ONC(=O)CCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)N(CC#C)c2ccccc12
CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CC(C)N1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cn(C(C)C)c4ncccc34)nc2)CC1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(OC4CCNCC4)ccc3cn2)c(F)c1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(NC4CCNCC4)ccc3cn2)c(F)c1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(CC4CCNCC4)ccc3cn2)c(F)c1
OCc1ccn(n1)-c1ccc(Nc2cc3nc(ccc3cn2)N(CC(O)=O)C2CCNCC2)c(F)c1
C[C@@](O)(C1CCNCC1)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
CN1CCC(CC1)Oc1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1
CN1CCC(CC1)N(CC(O)=O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
C[C@@H](C1CCN(C)CC1)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
CN1CCC(CC1)[C@@H](O)c1ccc2cnc(Nc3ccc(cc3F)-n3ccc(CO)n3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccccc3F)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-n3cccn3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)S(C)(=O)=O)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccc(c3)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)-c3cccn(C)c3=O)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cccc(c3)N3CCOCC3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCOCC3)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)N3CCN(CC3)C(C)=O)cc2n1 |r|
CCc1ccc(F)c(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ccc3F)C(F)(F)F)cc2n1 |r|
CC(C)Oc1ccc(F)c(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCOCC3)cc2n1 |r|
C[C@](c1ccc2cnc(cc2n1)Nc3cc(c(cc3F)C#N)N4CCOCC4)(C5CCN(CC5)C)O
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CCOCC4)c(cc3F)C#C)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3ccc(cc3F)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)N3CCCC3)cc2n1 |r|
CC(C)Nc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(OC4CCC4)ncc3F)cc2n1 |r|
CCc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cn1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(F)(F)F)cc2n1 |r|
CC(C)c1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
CC(C)Oc1cc(Nc2cc3nc(ccc3cn2)[C@](C)(O)C2CCN(C)CC2)c(F)cc1C#N |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(c(cc3F)C#N)C(F)(F)F)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(N4CC5CCC(C4)O5)c(cc3F)C#N)cc2n1 |r|
CN1CCC(CC1)[C@@](C)(O)c1ccc2cnc(Nc3cc(ncc3F)C(N)=O)cc2n1 |r|
CC(C)N1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
Fc1cnc(Nc2ccc(cn2)N2CCNCC2)nc1-c1ccc2C(=O)NCCc2c1
CCN1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CN1CCc2cc(ccc2C1=O)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
O=C(Cc1ccc2ccccc2c1)NC1=CC(=CC1)C1CC1 |c:18,t:16|
CC(C(=O)NC1=CC(=CC1)C1CC1)c1ccc(cc1)N1CCCC1=O |c:7,t:5|
OS(=O)(=O)c1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
CN(C)CCCNCc1ccc2cc3c(ccc4nc5ccc(CNCCCN(C)C)cc5cc34)cc2c1
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N[C@H](CCSC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2
CCN1C(=O)\C(=C2/Nc3ccccc3C2=O)c2cccnc12
O=C1Nc2ccccc2\C1=C1\Nc2ncccc2C1=O
CC(C)N1C(=O)\C(=C2/Nc3ccccc3C2=O)c2cccnc12