6193 SMILES Strings for Rho-associated protein kinase 2

Compound Name
SMILES String
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CNC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SCC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(OC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(SC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(NC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2CCOC2=O)cc1)C(=O)Nc1ccncc1F
CN(C1CCOC1=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(SC2CCOC2=O)c1)C(=O)Nc1ccncc1F
CC1CC(Sc2ccc(NC(=O)c3cccc(c3)-c3cc(ccc3CN)C(=O)Nc3ccncc3F)cc2)C(=O)O1
CC1(C)COC(=O)C1Sc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2COC(=O)C2)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(SC2CCOC2=O)cc1F)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(NC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(SC3CCOC3=O)cc2)c1)C(=O)Nc1ccncc1
Cc1cc(NC2CCOC2=O)ccc1NC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ncc(NC2CCOC2=O)s1)C(=O)Nc1ccncc1F
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
COc1c(F)cccc1NC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Cc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)ccc1F
COc1ccc(F)cc1NC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
CCOc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
FC(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
FC(F)(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cccnc1
CC(C)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cccc(OCC2CC2)c1
COc1cccc(c1)N(CCO)C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
COc1ccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)cc1F
COc1c(F)cccc1N[C@H]1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1 |r|
COc1c(F)cccc1N[C@@H]1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1 |r|
COc1ccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c(F)c1
COc1cc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)cc(OC)c1
Fc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1F
Fc1ccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c(F)c1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(c1)N(C)C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
COc1c(F)cccc1NC1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1
CCOc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
CCOc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
CCOc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OC)c2)C1=O
CCOc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(OC)ccc2F)C1=O
CCOc1cc(ccc1-c1cn[nH]c1)N1CCC(N2CCc3cc(OC)ccc23)C1=O
Fc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccccc2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
Fc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
COc1cccc2CCN(C3CCN(C3=O)c3ccc(cc3)-c3cn[nH]c3)c12
FC1(F)Oc2ccc(NC3CCN(C3=O)c3ccc(cc3)-c3cn[nH]c3)cc2O1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1nc2ccccc2[nH]1
CC(C)(C)OC(=O)n1cc(cn1)-c1ccc(cc1)N1CCC(Br)C1=O
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1ccccc1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)NCCc1ccccc1
COc1cccc(c1)[C@@H](C)NC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1 |r|
Fc1cccc(CNC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Fc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Oc1ccccc1
COc1cccc(c1)C(=O)NC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
CCOc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccccc2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(F)F)c2)C1=O
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(F)(F)F)c2)C1=O
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(C)C)c2)C1=O
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(F)c2)C1=O
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(NS(C)(=O)=O)c2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2ccnc(N)n2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2ccnc3[nH]ccc23)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cc(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)ccc1F
COc1cccc(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)c1
COc1c(F)cccc1N[C@@H]1CCN(C1=O)c1ccc(cn1)-c1cn[nH]c1 |r|
COc1c(F)cccc1N[C@H]1CCN(C1=O)c1ccc(cn1)-c1cn[nH]c1 |r|
O=C1C(Cc2ccccc2)CCN1c1ccc(cc1)-c1cn[nH]c1
COc1cccc(CC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Fc1cccc(F)c1CC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Clc1ccccc1CC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Fc1ccccc1CC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
O=C1C(Cc2cccc(c2)C#N)CCN1c1ccc(cc1)-c1cn[nH]c1
Fc1ccc(CC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)cc1
COc1cccc(CCC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
Clc1ccccc1CCC1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)c1ccccc1
Fc1cccc(c1)C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
COc1cccc(c1)C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Fc1ccccc1C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
Clc1ccccc1C1CCN(C1=O)c1ccc(cc1)-c1cn[nH]c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC(F)F)c2)ccc1F
COc1cccc(OC2CCN(C2=O)c2ccc(Br)cc2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC(F)F)c2)c1
Cc1nc2ccc(NC3CCN(C3=O)c3ccc(cc3)-c3cn[nH]c3)cc2s1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cc(ccn1)C#N
COc1cccc(NC2CCN(C2=O)c2ccc(Br)c(OC)n2)c1C
COc1cccc(NC2CCN(C2=O)c2ccc(c(OC)n2)-c2ccncc2F)c1
COc1cccc(NC2CCN(C2=O)c2ccc(c(C)n2)-c2ccnc3[nH]ccc23)c1
COc1cccc(NC2CCN(C2=O)c2ccc(c(C)n2)-c2ccncc2F)c1
COc1cccc(NC2CCN(C2=O)c2ccc(c(C)n2)-c2ccnc(N)n2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3ccc4[nH]ncc4c3)c(OC)n2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3ccc4cn[nH]c4c3)c(OC)n2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(c(OC)n2)-c2ccnc(F)c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(c(OC)n2)-c2ccnc3[nH]ccc23)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3c[nH]nc3C)c(OC)n2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(N)=O)c1
COc1cccc(NC2CCN(C2=O)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(N[C@@H]2[C@@H](CO)CN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
COc1cccc(NC2CCN(C2=O)c2cnc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(F)c1NC1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)cc(OC)c1
COc1ccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)cc1F
COc1cc(F)ccc1NC1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(F)c2)C1=O
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1ccc(F)cc1NC1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(F)c2OC)C1=O
COc1ccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c(F)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
COc1ccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)cc1F
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)ccc1F
COc1cc(NC2CCN(C2=O)c2ccc(cc2Cl)-c2cn[nH]c2)ccc1F
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(Cl)c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2Cl)-c2cn[nH]c2)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cc2Cl)-c2cn[nH]c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)F)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)F)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)F)ccc1F
COCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OC)c2)C1=O
COCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
COCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(CO)c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(C)n2)c1
Cc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OCC3CC3)c2)C1=O
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(C)n2)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(C)n2)ccc1F
COc1cccc(NC2CCN(C2=O)c2cc(C)c(cn2)-c2cn[nH]c2)c1
Cc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(F)F)c2)C1=O
CCc1cc(ncc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OCC3CC3)c2)C1=O
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)ccc1F
COc1cc(NC2CCN(C2=O)c2cc(C)c(cn2)-c2cn[nH]c2)ccc1F
CCc1cc(ncc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OCC3CC3)c2)C1=O
CCc1cc(ncc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OCC3CC3)c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OCC3CC3)c2)C1=O
CCOc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(F)F)c2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)n1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccccc2F)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCOc3ccccc23)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cnccn2)C1=O
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cncnc1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCNc3ccccc23)C1=O
O=C1[C@@H](CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cccc(OCC2CC2)c1 |r|
FC(F)COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
CCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OC)c2)C1=O
CCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
CCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
CCc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OCC3CC3)c2)C1=O
CNc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
CNc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc3OCOc3c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc3OCCOc3c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)C#N)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)C(N)=O)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc3ncsc3c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(NC(C)=O)c2)C1=O
COc1ccc(Cl)c(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)-c2cnco2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc3CS(=O)(=O)Cc3c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(NS(C)(=O)=O)c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)-c2nnn[nH]2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC(C)C)c2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(c2)S(N)(=O)=O)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2nc(c[nH]2)C(C)(C)C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(C)nn2C)C1=O
Cc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(O)n2)nn1C
CC(C)n1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(O)n2)cn1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCOCC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCOC[C@H]2C)C1=O |r|
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CC(C)OC(C)C2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(CC2)N(C)C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCc3ccccc3C2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCCC(C)(C)C2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N(C)C2CCN(C)CC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCS(=O)(=O)CC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCc3cccnc23)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(F)(F)CC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCCC(F)C2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(F)(F)C2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(CC2)C(F)(F)F)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCN(CC2)S(C)(=O)=O)C1=O
COc1ccc(cc1)N1CCN(CC1)C1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(OC)n1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCN(CC2)c2ccc(O)cc2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(CO)CC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CC[C@H](F)C2)C1=O |r|
COC1CCN(CC1)C1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(OC)n1
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(=O)CC2)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CC[C@H](C2)N(C)C)C1=O |r|
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CC[C@@H](C2)NC(C)=O)C1=O |r|
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CC[C@H](O)C2)C1=O |r|
COc1nc(ccc1-c1cn[nH]c1)N1CCC(N2CCC(F)CC2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(nc2)-c2cn[nH]c2)c1
COc1cc(NC2CCN(C2=O)c2ccc(nc2)-c2cn[nH]c2)ccc1F
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(nc2)-c2cn[nH]c2)c1
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2F)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2F)ccc1F
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2F)c1
COc1cccc(NC2CCN(C2=O)c2cc(F)c(-c3cn[nH]c3)c(F)c2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CCC(Nc2ccc(F)c(OC)c2)C1=O
O=C1C(CCN1c1ccc(cn1)-c1cn[nH]c1)Nc1cccc(OCC2CC2)c1
FC(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(NC2[C@H](CO)CN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
COc1ccc(NC=O)c(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1C
COc1ccc(C(=O)OC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c(N)c1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2F)-c2cn[nH]c2)c1
COc1cc(NC2CCN(C2=O)c2ccc(cc2F)-c2cn[nH]c2)ccc1F
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)ccc1F
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
COc1c(F)cccc1NC1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(F)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(cc2F)-c2cn[nH]c2)c1
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(cc2F)-c2cn[nH]c2)c1
COc1c(F)cccc1NC1CCN(C1=O)c1ccc(cc1F)-c1cn[nH]c1
COc1ccc(NC2CCN(C2=O)c2ccc(cc2F)-c2cn[nH]c2)cc1F
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(OCCN(C)C)c2)ccc1F
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(O)C(F)(F)F)c1
COc1cc(NC2CCN(C2=O)c2cc(F)c(cc2F)-c2cn[nH]c2)ccc1F
COc1cc(F)cc(NC2CCN(C2=O)c2cc(F)c(cc2F)-c2cn[nH]c2)c1
COc1cccc(NC2CCN(C2=O)c2cc(F)c(cc2F)-c2cn[nH]c2)c1
FC(F)Oc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
COc1cccc(NC2CCN(C2=O)c2ncc(cc2F)-c2cn[nH]c2)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ncc(cc2F)-c2cn[nH]c2)c1
Fc1cc(ccc1-c1cn[nH]c1)N1CCC(Nc2cccc(OCC3CC3)c2)C1=O
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C2CC2)c1
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
COc1ccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(C)c2)cc1F
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(C)c2)cc(OC)c1
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)(F)F)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)(F)F)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)(F)F)ccc1F
COc1ccc(F)c(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C(F)(F)F)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)[N+]#[C-])c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C#N)c1
COc1c(F)cccc1NC1CCN(C1=O)c1ccc(-c2cn[nH]c2)c(c1)C#N
COc1cccc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C#N)c1
COc1cc(NC2CCN(C2=O)c2ccc(-c3cn[nH]c3)c(c2)C#N)ccc1F
COc1cccc(N[C@@H]2CCN(C2=O)c2ccc(Br)cc2)c1 |r|
COc1ccc(N[C@@H]2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c(OC)c1 |r|
COc1cccc(N[C@@H]2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1OC |r|
O=C1[C@@H](CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1ccc2OCOc2c1 |r|
O=C1[C@@H](CCN1c1ccc(cc1)-c1cn[nH]c1)Nc1cccc(c1)C#N |r|
NC(=O)c1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1ccc(N[C@@H]2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)cc1OC |r|
CC(=O)Nc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)N1CCc2ccccc12
O=C1C(CCN1c1ccc(cc1)-c1cn[nH]c1)N1CCCc2ccccc12
NCCS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(C)NCC(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CN(C)CC(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCC(O)CNC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cc(ccc1C(O)=O)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cccc(c1)-c1nnco1)c1ccc2[nH]ncc2c1
CC(C)NC(=O)COc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CN(CC(O)CO)C(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
OCCN(c1nnc(s1)-c1cnccn1)c1ccc2[nH]ncc2c1
Nc1cncc(n1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCS(=O)(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cnc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cccc(c1)-c1cn[nH]c1)c1ccc2[nH]ncc2c1
CS(=O)(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
COc1cccc(c1)-c1nnc(s1)N(CCO)c1ccc2[nH]ncc2c1
OC(=O)COc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(C)NC(=O)COc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cnccn1)c1ccc2[nH]ncc2c1
N(c1nnc(s1)-c1cccc(c1)-c1cnco1)c1ccc2[nH]ncc2c1
Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC1CCN(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
C1CNC(CN1)c1nnc(Nc2ccc3[nH]ncc3c2)s1
N(c1nnc(s1)-c1cccc(c1)-c1ncco1)c1ccc2[nH]ncc2c1
O=C(Nc1cccc(n1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
O=C(Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
C1CNCC(C1)c1nnc(Nc2ccc3[nH]ncc3c2)s1
COc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NC1CCN(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=C(N1CCN(CC1)c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1ccnnc1
O=C(Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
N[C@@H]1CCN(C1)c1nnc(Nc2ccc3[nH]ncc3c2)s1 |r|
Cc1cc([nH]n1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cc1cc(no1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1ccc(n1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1nccc1C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cc1cnoc1C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=N(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1cn[nH]c1
Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
C1CN(CCN1)c1nnc(Nc2ccc3[nH]ncc3c2)s1
O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1c[nH]cn1
O=C(Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)c1cccnc1
CC(C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccc(F)cc1
Clc1c(Nc2nnc(s2)-c2ccnc(NC(=O)N3CCOCC3)c2)ccc2[nH]ncc12
Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COCCOC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccc(F)cc1
CCCOC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cc(CC(=O)Nc2cc(ccn2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn1
Fc1ccc(CC(=O)Nc2cc(ccn2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
CC1CCCCC1C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)c1c(Nc2nnc(s2)-c2cccc(NC(C)=O)c2)ccc2[nH]ncc12
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C)s1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C=C)s1
CC1(CCCCC1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)(C)CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)C3CCCCC3)c2)ccc2[nH]ncc12
CC(C)(C)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CCc1c(Nc2nnc(s2)-c2cccc(NC(C)=O)c2)ccc2[nH]ncc12
FC(F)(F)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
FC(F)(F)CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN1CCN(CC1)C(=O)Nc1ccc(cc1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)N3CCNCC3)c2)ccc2[nH]ncc12
CC(C)(O)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N[C@@H](CO)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CN1CC(C1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)C#N)ccc2[nH]ncc12
C[C@H](N)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CN1CCC(CC1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)C3CCNCC3)c2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)C3CNC3)c2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3OCCOc23)ccc2[nH]ncc12
CC(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Cc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Oc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)c1ccccn1
FC(F)(F)c1cccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)n1
OC1(COC1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2C(F)(F)F)s1
CC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)(O)CNC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)nc1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ncccn3)c2)ccc2[nH]ncc12
Cc1cccc(CNC(=O)c2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)n1
CC(C)(CO)NC(=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Oc1cc(O)cc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1ncc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
Fc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1cc(OC)cc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
OC(=O)Cn1cc(cn1)C(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CN(C(C)=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)C[C@H](N)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |r|
CC(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN(c1nnc(s1)-c1cccc(NC(C)=O)c1)c1ccc2[nH]ncc2c1Cl
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ncc[nH]3)c2)ccc2[nH]ncc12
CCOc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
NC(Cc1ccc(Cl)cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ccon3)c2)ccc2[nH]ncc12
Cn1cc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cn1
Cc1cnn(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Br)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ccc(cc3)C#N)c2)ccc2[nH]ncc12
Cn1ccnc1CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3ccccn3)c2)ccc2[nH]ncc12
Cc1cc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)on1
Fc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)Cc3cnccn3)c2)ccc2[nH]ncc12
COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)cc1
Clc1c(Nc2nnc(s2)-c2cccc(NC(=O)c3cnccn3)c2)ccc2[nH]ncc12
COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
C1CN(CCN1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
NCCn1cc(cn1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]nc(F)c3c2)s1
Cn1cc(cn1)C(=O)Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]nc(Cl)c3c2)s1
Cn1cc(cn1)C(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Cn1cc(cn1)C(=O)Nc1cncc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cc(F)c(F)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CNCc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OC(=O)CS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NCCn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NCc1cncc(c1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCC(O)Cn1cc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCC(O)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
OCCS(=O)(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
NCc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cccc(n1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1ccnc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Fc1c(Nc2nnc(s2)-c2cccc(NC(=O)c3c[nH]cn3)c2)ccc2[nH]ncc12
[O-][N+](=O)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
Nc1cccc(c1)-c1nsc(Nc2ccc3[nH]ncc3c2)n1
CC(=O)c1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2C2COC2)ccc2[nH]ncc12
CN1CCN(C1=O)c1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2CCN2CCOCC2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccn2CCN2CCCC2)ccc2[nH]ncc12
CN(C)CCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
N(c1nnc(s1)-c1cncc(c1)-c1cccs1)c1ccc2[nH]ncc2c1
Clc1c(Nc2nnc(s2)-c2cncc(c2)-c2cccs2)ccc2[nH]ncc12
Cc1coc(n1)-c1cc(ccn1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN1CCN(C(=O)C1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN(C)Cc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
OCc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
CN1C(=O)Cc2c1cccc2-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nnn[nH]2)ccc2[nH]ncc12
OCCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COCCn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(C)n1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Oc1cccc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cc1coc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cc1coc(n1)-c1cc(F)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1ccnc1-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC1(C)COC(=N1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |c:5|
CC1(C)CN=C(O1)c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1 |c:4|
COc1cccc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2nccs2)ccc2[nH]ncc12
Fc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
Cc1cccc(n1)-c1cccc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
NC(=O)c1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
OC(=O)c1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)-c1ncco1
Clc1c(Nc2nnc(s2)-c2cccc(c2)-c2ncco2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cncc(c2)-c2ncco2)ccc2[nH]ncc12
CC(=O)Nc1cc(CSC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CCN(CC)Cc1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN1CCN(Cc2cc(NC(C)=O)cc(c2)-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)CC1
CN(C)Cc1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(CN2CCOCC2)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1ccc(c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)S(C)(=O)=O
CSc1ccc(NC(C)=O)cc1-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1ccc(Cl)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(CO)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1ccc(C)c(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
COc1ccc(NC(C)=O)cc1-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CN(C)Cc1ccc(cc1NC(C)=O)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
OCCn1cc(cn1)C(=O)Nc1cc(ccc1C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cc(cn1)C(=O)Nc1cc(ccc1C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(ccc1C(F)(F)F)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(ccc1-c1ncco1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCC(CC1)C(O)=O
Cn1cc(cn1)C(=O)Nc1cc(CC(O)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(CC(O)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCOCC1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)N1CCNCC1
CN(C)CCNC(=O)c1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(=O)NCC(O)CO
CC(C)(C)OC(=O)Cc1cc(cc(c1)[N+]([O-])=O)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cc(cn1)C(=O)Nc1cc(ccc1Br)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CNC(=O)c1cc(NC(C)=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1)C(N)=O
Cn1cc(cn1)C(=O)Nc1cc(OC=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
CC(=O)Nc1cc(cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)C(N)=O
CC(=O)Nc1cc(OC=O)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cc(C)cc(c1)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CC(=O)Nc1cc(ccc1C(O)=O)-c1nnc(Nc2ccc3[nH]ncc3c2)s1
CCc1cn2cccc(-c3nnc(Nc4ccc5[nH]nc(C)c5c4)s3)c2n1
FC(F)(F)c1nc2c(cc(Br)cn2n1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCCO2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)-c2ccc(cc2)C#N)ccc2[nH]ncc12
OC(=O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(=O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(C)(O)c1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(C)(C)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCCN2)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)C2CCNCC2)ccc2[nH]ncc12
Cc1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CC(C)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
FC(F)(F)c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
CCc1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c2n1
Clc1c(Nc2nnc(s2)-c2cccn3cc(nc23)-c2ccc(Br)cc2)ccc2[nH]ncc12
Brc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c2nccn2c1
Brc1ccc(cc1)-c1cn2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4)s3)c2n1
N(c1nnc(s1)-c1cccn2ccnc12)c1ccc2[nH]ncc2c1
CCCCOC(=O)N(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(F)cc2)c1)c1ccc2[nH]ncc2c1Cl
CCOC(=O)N(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(F)cc2)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(cc2)C#N)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(=O)Cn2cc(C)cn2)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(=O)Cc2ccc(F)cc2)c1)c1ccc2[nH]ncc2c1Cl
CN(c1nnc(s1)-c1cccc(NC(C)=O)c1)c1ccc2[nH]ncc2c1
CN(C)CCn1cnc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Clc1c(Nc2nnc(s2)-c2cccc3n(CCN4CCOCC4)cnc23)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3n(CCN4CCCC4)cnc23)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3[nH]c(nc23)-c2cccs2)ccc2[nH]ncc12
CN1C(=O)Cc2cccc(-c3nnc(Nc4ccc5[nH]ncc5c4Cl)s3)c12
Clc1c(Nc2nnc(s2)-c2cccc3NC(=O)Cc23)ccc2[nH]ncc12
Clc1c(Nc2nnc(s2)-c2cccc3CC(=O)Nc23)ccc2[nH]ncc12
Cn1c(nc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)C1CCOCC1
Cn1c(nc2c(cccc12)-c1nnc(Nc2ccc3[nH]ncc3c2)s1)C1CC1
Nc1nc(c[nH]1)-c1nnc(Nc2ccc3[nH]ncc3c2Cl)s1
Cn1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)s2)c1=O
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCCC1c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC(C1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@H]1CO |r|
COc1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC1CCc2ccccc12
COc1ccccc1C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC(C1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCCC1c1ccccc1F
COc1cccc(c1)C1CCCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(Cl)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCc2ccccc12
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1Cc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(Br)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)S(N)(=O)=O
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(O)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(cc1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc(C)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C |r|
COc1ccc(cc1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(C)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc2ccccc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1ccc2OCOc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)S(C)(=O)=O |r|
COC(=O)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(O)=O |r|
CCNC(=O)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
CCNC(=O)c1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)C(=O)NC1CCN(C)CC1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)NCC(C)(C)O |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)N(C)C |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)NC1CCS(=O)(=O)C1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)NC1CC1 |r|
COC(=O)c1cccc(c1)[C@H]1CC(CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)OC(C)=O |r|
CCNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
CNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCC(C)(C)O |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1CC1 |r|
CCN1CCC[C@H]1CNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COCCNC(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCC1CC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC(C)C |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1(C)CCC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1CCC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1ncco1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1CCOCC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NC1(C)CC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1cc(C)no1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1cc(C)on1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCC(F)F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CC(C1)C#N |r|
COC1CN(C1)C(=O)c1cccc(c1)[C@H]1CC(O)CN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1ccc(cc1F)C(F)(F)F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CC(F)C1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CC(F)(F)C1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)NCc1cc(F)cc(c1)C(F)(F)F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)C(=O)N1CCC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCN(CC1c1ccccc1)C(=O)OC(C)(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H]1CNC[C@H]1c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1cn[nH]c1
COc1cc(ccc1C(=O)N1CCCC1c1cccc(c1)-c1cn[nH]c1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1ccnn1C
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1cnn(CC(C)(C)O)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1c(C)noc1C
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1ccoc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(c1)-c1ccn[nH]1
COc1cc(ccc1Br)C(=O)N1CC(F)C[C@@H]1c1cccc(c1)C(=O)NC1CC1 |r|
COc1cc(ccc1-c1ccncc1)C(=O)N1CC(F)(F)C[C@@H]1c1cccc(c1)C(=O)NC1CC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(F)(F)C[C@@H]1c1cccc(c1)C(=O)NC1CC1 |r|
COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccnc(N)c1
COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccnc2[nH]ccc12
COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccnc(F)c1
COc1cccc(c1)C1CCCN1C(=O)c1ccc(c(OC)c1)-c1ccncc1F
COC1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1cccc(c1)C(=O)NCC1CC1 |r|
COC1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1cccc(c1)C(=O)N(C)CC1CC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@](C)(O)C[C@@H]1c1cccc(c1)C(=O)NCC1CC1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(C[C@@H]1c1cccc(c1)S(C)(=O)=O)OC(C)=O |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1cccc(c1)S(C)(=O)=O |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(C[C@@H]1c1ccccc1F)OC(C)=O |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@@H](O)C[C@@H]1c1ccccc1F |r|
O[C@@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1F |r|
O[C@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1F |r|
O[C@@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccccc1F |r|
O[C@H]1C[C@@H](N(C1)C(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccccc1F |r|
COc1cc(ccc1C(=O)N1C[C@H](O)C[C@@H]1c1ccccc1F)-c1cn[nH]c1 |r|
CS(=O)(=O)c1cccc(c1)C1CC(O)CN1C(=O)c1ccc(cc1)-c1ccnc2[nH]ccc12
COc1cccc(c1)C1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)O
CCc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1ccccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(OCC(F)F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(OCc2cc(C)on2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(OC2CCN(C)CC2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCCC1c1cccc(NC2CCN(C)CC2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@@H](N)C[C@@H]1c1ccccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1C[C@H](N)C[C@@H]1c1ccccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1ccc2cn[nH]c2c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CC(O)C[C@@H]1c1ccc2c(I)n[nH]c2c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc12 |r|
CCNS(=O)(=O)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
C1N(Cc2ccccc12)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ncc(F)c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ncc(Cl)c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ncc(C)c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc(C)cc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2COCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1ccnc(Nc2ccc3[nH]ncc3c2)n1
Fc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(CCc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
C1Cc2sccc2CN1c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1cc(Nc2ccc3[nH]ncc3c2)ncn1
COc1ccc2CN(Cc2c1)c1cc(Nc2ccc3[nH]ncc3c2)nc(C)n1
C1N(Cc2cnccc12)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc(C)c(C)c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccncc2)n1
COc1ccc2CN(Cc2c1)c1nccc(Nc2ccc(cc2)-c2ccncc2)n1
COc1ccc2CN(Cc2c1)c1nc2CCOCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2CNCc2c(Nc2ccc3[nH]ncc3c2)n1
COc1ccc2CN(Cc2c1)c1nc2CN(C)CCc2c(Nc2ccc3[nH]ncc3c2)n1
N#Cc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COCc1ccc2CN(Cc2c1)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1cccc2CN(Cc12)c1nccc(Nc2ccc3[nH]ncc3c2)n1
Fc1cccc2CN(Cc12)c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1nc(nc(Nc2ccc3[nH]ncc3c2)c1OC)N1Cc2ccccc2C1
Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Nc1nccc(Nc2ccccc2)n1
Nc1nccc(Nc2cccc(c2)S(N)(=O)=O)n1
NC(=O)c1ccc(Nc2ccnc(N)n2)cc1
NC(=O)c1cccc(Nc2ccnc(N)n2)c1
CS(=O)(=O)c1cccc(Nc2ccnc(N)n2)c1
Nc1nccc(n1)N1CCc2ccccc12
CSc1ccc(Nc2ccnc(N)n2)cc1
COC(=O)c1cccc(Nc2ccnc(N)n2)c1
COC(=O)c1ccc(Nc2ccnc(N)n2)cc1
Nc1nccc(n1)N1CCCc2ccccc12
CC1Cc2ccccc2N1c1ccnc(N)n1
Nc1nccc(Nc2ccc(cc2)[N+]([O-])=O)n1
Nc1nccc(Nc2cccc(c2)[N+]([O-])=O)n1
COc1cccc(Nc2ccnc(N)n2)c1
Nc1nccc(Nc2ccc(OC(F)F)cc2)n1
Nc1nccc(n1)N1CCc2cc(Cl)ccc12
Nc1nccc(n1)-n1cnc2ccccc12
Nc1nccc(n1)-n1ccc2ccccc12
Nc1nccc(n1)N1CCc2ccc(cc12)[N+]([O-])=O
Nc1nccc(n1)N1CCc2cc(F)ccc12
CS(=O)(=O)c1ccc2N(CCc2c1)c1ccnc(N)n1
CC1Cc2cc(ccc2N1c1ccnc(N)n1)[N+]([O-])=O
Nc1nccc(n1)N1CCc2cc(Br)ccc12
CC1CN(c2ccccc12)c1ccnc(N)n1
CC1Cc2cc(Cl)ccc2N1c1ccnc(N)n1
Nc1nccc(n1)N1CCc2cc(ccc12)S(N)(=O)=O
CC1Cc2cc(F)ccc2N1c1ccnc(N)n1
Nc1nccc(n1)N1CCc2ccc(F)cc12
Nc1nccc(n1)-n1ccc2ccc(F)cc12
Nc1nccc(n1)-n1ccc2cc(Br)ccc12
Nc1nccc(n1)-n1ccc2ccc(Cl)cc12
COc1ccc2ccn(-c3ccnc(N)n3)c2c1
Nc1nccc(n1)-n1ccc2c(OCc3ccccc3)cccc12
COc1ccc2n(ccc2c1)-c1ccnc(N)n1
Cc1ccc2n(ccc2c1)-c1ccnc(N)n1
COc1ccc2n(cc(CCNC(C)=O)c2c1)-c1ccnc(N)n1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1ccccc1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCCc1ccccc1
Nc1nccc(n1)-n1ccc2cc(NC(=O)Cc3ccccc3)ccc12
Nc1nccc(n1)-n1ccc2cc(NC(=O)CCc3ccccc3)ccc12
Nc1nccc(n1)-n1ccc2cc(ccc12)C(=O)NCCc1ccccc1
Nc1nccc(n1)-n1ccc2cc(ccc12)C(=O)NCc1ccccc1
Nc1nccc(n1)N1CCc2c1cccc2OCc1ccccc1
Nc1nccc(n1)-n1ccc2cc(OCc3ccccc3)ccc12
Nc1nccc(n1)-n1ccc2c(OCCc3ccccc3)cccc12
Nc1nccc(n1)-n1ccc2c(OCc3ccc(Cl)cc3)cccc12
Nc1nccc(n1)-n1ccc2c(OCc3cccc(Cl)c3)cccc12
Nc1nccc(n1)-n1ccc2c(OCc3ccccc3Cl)cccc12
COc1cccc(CNC(=O)c2cccc3n(ccc23)-c2ccnc(N)n2)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(Cl)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1cccc(F)c1
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1ccc(F)cc1
CC(NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1
COc1ccccc1CNC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1
C[C@H](NC(=O)c1cccc2n(ccc12)-c1ccnc(N)n1)c1ccccc1 |r|
Nc1nccc(n1)-n1ccc2c(cccc12)C(=O)NCc1ccccc1F
COc1cccc(CNC(=O)c2cccc3N(CCc23)c2ccnc(N)n2)c1
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)N[C@@H]1CCNC1 |r|
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)NC2CC2)c1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)NC2CCNCC2)c1
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:3.2,1.1,wD:6.9,(3.37,.47,;2.6,-.86,;3.37,-2.2,;1.06,-.86,;-.27,-1.63,;-1.61,-.86,;-1.61,.68,;-.27,1.45,;1.06,.68,;-2.94,1.45,;-2.94,2.99,;-4.27,.68,;-5.61,1.45,;-5.61,2.99,;-6.94,3.76,;-8.28,2.99,;-8.28,1.45,;-6.94,.68,)|
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)N1CCS(=O)(=O)CC1
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCN(C)CC1
NC(=O)COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)NC1CC1
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCNCC1
CC(C)NC(=O)COc1cccc(c1)-c1ncc(C)c(Nc2ccc3[nH]ncc3c2)n1
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)NC1CCC1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)Nc2ccnnc2)c1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1cccc(OCC(=O)NC2CCCC2)c1
CC(C)NC(=O)COc1cccc(c1)-c1ncc(c(Nc2ccc3[nH]ncc3c2)n1)C(F)(F)F
CC(C)NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)C(F)(F)F
Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1cccc(OCC(=O)NC2CC2)c1
Cc1nc(nc(Nc2ccc3[nH]ncc3c2)c1C)-c1cccc(OCC(=O)NC2CC2)c1
CC(C)NC(=O)COc1cccc(c1)-c1nc(C)c(C)c(Nc2ccc3[nH]ncc3c2)n1
Cc1nc(nc(Nc2ccc3[nH]ncc3c2)c1C)-c1cccc(OCC(=O)NC2CCC2)c1
O=C(CN1CCOCC1)Nc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)N1CCOCC1
O=C(COc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)N1CCOCC1
O=C(Nc1cccnc1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CCOCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(N)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NN1CCOCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(N)c1ccc(cc1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCOCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NCCOc1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCNCC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(n1)N1CCNCC1
CN1CCC(CC1)NC(=O)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(OCCN(C)C)n1
O=C(NC1CCS(=O)(=O)CC1)c1cccc(c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1ccccc1CC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(CCOc1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
N[C@@H](CCc1ccccc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
N[C@H](CCc1ccccc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
CC(C(=O)Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
N[C@@H](C(=O)Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
N[C@H](C(=O)Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1 |r|
N[C@@H](Cc1ccccc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
N[C@H](Cc1ccccc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
Fc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c(Cl)c1
Clc1cccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
Cc1cccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
Clc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
Clc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c(Cl)c1
Cc1ccccc1CC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
Cc1cc(C)cc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
Fc1cc(F)cc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
COc1cc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc(OC)c1
COc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1OC
CS(=O)(=O)c1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
Clc1cccc(Cl)c1CC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
FC(F)(F)c1cccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
Fc1cc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc(c1)C(F)(F)F
Cc1cc(F)ccc1CC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
CSc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
Fc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1cccc(Cn2cc(cn2)-c2ccc(cc2)C#N)c1
Fc1ccc(cc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
CS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1cnccn1
COc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(CCCc1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Cc1ccccn1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Cc1ccncc1)Nc1ccc-2c(OCc3cnccc-23)c1
CC(=O)Nc1cccc(c1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
CC(C)(C(=O)Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
Clc1ccc(CCC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
COC(=O)c1cccc(c1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1csc(n1)-c1cccnc1
NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1csnn1
O=C(Cc1cccnc1)Nc1ccc-2c(OCc3cnccc-23)c1
CS(=O)(=O)c1cccc(c1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1cscn1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1cncnc1
OC(C(=O)Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
O=C(Cc1ccco1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(CCn1ccnc1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Cc1cnccn1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
Clc1ccccc1C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
Fc1cccc(c1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
Clc1cccc(c1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1ccc(cc1)C#N
COc1ccc(cc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
COC(=O)c1ccc(cc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
COc1ccc(CCC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
Oc1ccc(CCC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(Cc1nnn[nH]1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(CCc1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1ccc2ccccc2c1
O=C(Cc1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
Cn1cccc1C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1ccccc1-c1ccccc1
COc1cccc(c1)C(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
Clc1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1Cl
FC(F)(F)c1ccc(CC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(Cc1ccc(cc1)-n1cnc2ccccc2c1=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1csc(n1)-c1ccncc1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)C1Cc2ccccc2C1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)c1nc2ccccc2[nH]1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)N1CCc2ccccc12
Clc1ccccc1NC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(NCCc1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
Clc1cccc(NC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
O=C(Nc1cccnc1)Nc1ccc-2c(OCc3cnccc-23)c1
COc1ccc(CCNC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
Fc1ccccc1CCNC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(NCC(c1ccccc1)c1ccccc1)Nc1ccc-2c(OCc3cnccc-23)c1
Clc1ccc(CCNC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
Clc1cccc(CCNC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)c1
Cc1onc(c1NC(=O)Nc1ccc-2c(OCc3cnccc-23)c1)-c1ccccc1
O=C(NCCc1ccc2OCOc2c1)Nc1ccc-2c(OCc3cnccc-23)c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)Oc1ccccc1
Clc1ccccc1OC(=O)Nc1ccc-2c(OCc3cnccc-23)c1
Clc1ccc(OC(=O)Nc2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)OCc1ccccc1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)Oc1ccc2ccccc2c1
O=C(Nc1ccc-2c(OCc3cnccc-23)c1)Oc1cccc2ccccc12
COc1cccc(CCC(=O)Nc2ccc3c(c2)[nH]c2cnccc32)c1
Clc1cccc(CC(=O)Nc2ccc3c(c2)[nH]c2cnccc32)c1
Fc1cccc(CC(=O)Nc2ccc3c(c2)[nH]c2cnccc32)c1
O=C(Cc1ccccc1)Nc1ccc2c(c1)[nH]c1cnccc21
O=C(Cc1cccc(c1)C#N)Nc1ccc2c(c1)[nH]c1cnccc21
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
[H][C@@]12C[C@@](O)(C(=O)OCCCCCC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CC(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,(-5.43,-.71,;-4.66,.62,;-5.43,1.96,;-3.12,.62,;-2.35,-.71,;-.81,-.71,;-.04,.62,;-.81,1.96,;-2.35,1.96,;1.5,.62,;2.27,-.71,;2.27,1.96,;3.81,1.96,;4.58,.62,;6.12,.62,;6.89,1.96,;6.12,3.29,;4.58,3.29,)|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1 |r|
Clc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
CC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
O=C(NCCc1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCCCc1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
Clc1ccccc1C1(CC1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCC1CCCCC1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCC1CCCO1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCC(c1ccccc1)c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
Clc1ccccc1CCNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Clc1ccc(CCNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
COc1ccc(CCNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
Oc1ccc(CCNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(NCCOc1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NC1CCN(Cc2ccccc2)C1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccc(cc1)C#N)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccco1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cccs1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccc2OCOc2c1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cccnc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccncc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
COc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Cc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Fc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Clc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1Cl
COc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Fc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
COc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
Cc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
FC(F)(F)c1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
[O-][N+](=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
[O-][N+](=O)c1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
COc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1OC
FC(F)(F)Oc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
FC(F)(F)Oc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
FC(F)(F)c1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)ccc1Cl
O=C(NCc1ccccc1-c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cccc(c1)-c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
CN(Cc1ccccc1)C(=O)c1ccc-2c(OCc3cnccc-23)c1
Fc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
NS(=O)(=O)c1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
Nc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(NCc1ccccn1)c1ccc-2c(OCc3cnccc-23)c1
Fc1ccc(CCNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
O=C(NCCNc1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCCc1cccs1)c1ccc-2c(OCc3cnccc-23)c1
CN(CCc1ccccc1)C(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1nc2ccccc2s1)c1ccc-2c(OCc3cnccc-23)c1
Oc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
C[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
C[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
C[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
Clc1cc(Cl)cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Brc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
Clc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc-2c(OCc3cnccc-23)c1
FC(F)(F)c1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Clc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1
Cc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
FC(F)(F)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c(OC)c1
Clc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1Cl
COc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cc1OC
Clc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c(Cl)c1
Clc1cccc(CCNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CC(C)(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
Nc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Oc1ccccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Oc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
C[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
COc1cccc(c1)[C@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
COc1ccc2NC(=O)C(NC(=O)c3ccc-4c(OCc5cnccc-45)c3)c2c1
CCOc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COCCOc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CC(C)Oc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc-2c(OCc3cnccc-23)c1
CC[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cccc(OC)c1
COc1cccc(c1)C1(CCCCC1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
COc1cccc(c1)C(C)(C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
COc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1Cl
CCOc1cccc(c1)C1(CCC(C)CC1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
CCOc1cccc(c1)C(C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
NS(=O)(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CCNS(=O)(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cc1ccccc1C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cc(on1)-c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cc([nH]n1)C1CC1)c1ccc-2c(OCc3cnccc-23)c1
CC(C)c1nc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)no1
Cc1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cs1
Fc1ccc(cc1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(CNC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
O=C(NCc1nc2ccccc2[nH]1)c1ccc-2c(OCc3cnccc-23)c1
COc1ccc(cc1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccsc1)c1ccc-2c(OCc3cnccc-23)c1
Cn1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cn1
O=C(NCc1c[nH]nc1-c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
[O-][N+](=O)c1cccc(c1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Brc1ccc(cc1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Cc1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)no1
O=C(NCc1ncc([nH]1)-c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(CNC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cccnc1
Clc1ccc(cc1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
[O-][N+](=O)c1ccc(cc1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
CS(=O)(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cc(F)cc(F)c1
O=C(NCc1cccc(c1)C(=O)N1CCOCC1)c1ccc-2c(OCc3cnccc-23)c1
Fc1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c(Cl)c1
COc1c(F)ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1F
COc1ccc(F)c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1F
CCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
CCOc1cccc(c1)[C@H](C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1nc[nH]n1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1nccs1)c1ccc-2c(OCc3cnccc-23)c1
CC(C)(C)c1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c(o1)C(O)=O
O=C(NCc1ncc[nH]1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ncco1)c1ccc-2c(OCc3cnccc-23)c1
Brc1sccc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Cc1noc(C)c1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccc(=O)[nH]c1)c1ccc-2c(OCc3cnccc-23)c1
Fc1cccc(c1)C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1nnc(o1)-c1ccccc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ncon1)c1ccc-2c(OCc3cnccc-23)c1
CC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cccc(F)c1
COc1ccc(F)c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cc1ccc(F)cc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Fc1ccc(F)c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Fc1cc(F)cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cc1[nH]ncc1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1ccoc1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1n[nH]c2ccccc12)c1ccc-2c(OCc3cnccc-23)c1
Cc1nnc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)o1
O=C(NCc1n[nH]c2CCCCc12)c1ccc-2c(OCc3cnccc-23)c1
Fc1ccccc1-c1nnc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)o1
O=C(NCc1ccc2nccn2c1)c1ccc-2c(OCc3cnccc-23)c1
CCc1nnc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)o1
O=C(NCc1cc(on1)C1CC1)c1ccc-2c(OCc3cnccc-23)c1
Brc1csc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)n1
O=C(NCc1cccc2nsnc12)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cn[nH]c1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cc(on1)-c1ccco1)c1ccc-2c(OCc3cnccc-23)c1
COCc1noc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)n1
Cn1ccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)n1
Cc1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)nn1C
Cc1oc(C)c(C(O)=O)c1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1csc2ccccc12)c1ccc-2c(OCc3cnccc-23)c1
Clc1ccsc1C(=O)CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
Clc1ccc2scc(CNC(=O)c3ccc-4c(OCc5cnccc-45)c3)c2c1
CCn1cc(Br)c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)n1
Cn1cc(Br)c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)n1
O=C(NCc1nc2ccccc2o1)c1ccc-2c(OCc3cnccc-23)c1
Cc1nnc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)[nH]1
O=C(NCc1cc2ccccn2n1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1c[nH]c2ccccc12)c1ccc-2c(OCc3cnccc-23)c1
Nc1nc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)n[nH]1
Cc1cc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c(C)o1
C[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cc(F)cc(F)c1
C[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cc(F)cc(F)c1
C[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cccc(F)c1
C[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1cccc(F)c1
C[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccc(F)cc1
CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
OCCC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
COC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
OC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
CNC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
COC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc-2c(OCc3cccnc-23)c1
OC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
NC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
COC(=O)[C@@H](CCc1ccccc1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
CN(C)C(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
NC(=O)[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
COC(=O)[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
OC(=O)[C@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1Cl
COC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
OC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CNC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
NC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CN(C)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(c1)C(=O)N1CCCC1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cccc(c1)C(=O)N1CCC1)c1ccc-2c(OCc3cnccc-23)c1
CCN(C)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COCCN(C)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(c1)C(=O)N1CCCCC1)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cccc(c1)C(=O)NC1CC1)c1ccc-2c(OCc3cnccc-23)c1
COC1CN(C1)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O[C@@H]1CCN(C1)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O[C@H]1CCN(C1)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CO[C@@H]1CCN(C1)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
FC1CN(C1)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
FC1(F)CN(C1)C(=O)c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CCOC(=O)c1csc(n1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
OC(=O)c1csc(n1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cn1nccc1-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(c1)-c1cnc(nc1)N1CCC1)c1ccc-2c(OCc3cnccc-23)c1
Cn1cc(cn1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(c1)-c1c[nH]cn1)c1ccc-2c(OCc3cnccc-23)c1
Cn1cnc(c1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COC(=O)c1occc1-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cn1cncc1-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cc1nc2ccccn2c1-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COc1nc(cs1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(c1)-c1cnc2ncccn12)c1ccc-2c(OCc3cnccc-23)c1
O=C(NCc1cccc(c1)-c1cnc2ccccn12)c1ccc-2c(OCc3cnccc-23)c1
CS(=O)(=O)c1ncc(cn1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CCOC(=O)c1nc([nH]c1C(F)(F)F)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COC(=O)N1CCn2c(C1)cnc2-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
Cc1cn(C)c(n1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
O=C(NCc1cccc(c1)-c1cnc2CNCCn12)c1ccc-2c(OCc3cnccc-23)c1
COC(=O)c1coc(n1)-c1cccc(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
COC(=O)c1cccc(CNC(=O)c2ccc-3c(OC(C)c4cnccc-34)c2)c1
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(O)=O
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
CC(NC(=O)c1ccc-2c(OC(C)c3cnccc-23)c1)c1cc(F)cc(F)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OC(C)c3cnccc-23)c1
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(=O)NC1CC1
CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(OC(C)c4cnccc-34)c2)c1
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(N)=O
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
CNC(=O)c1cccc(CNC(=O)c2ccc-3c(OC(C)c4cnccc-34)c2)c1
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(=O)NC1(C)CC1
CC1Oc2cc(ccc2-c2ccncc12)C(=O)NCc1cccc(c1)C(=O)NC1CCCO1
C[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccccc1
NC[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccccc1
COc1cccc(n1)C(C)NC(=O)c1ccc-2c(COc3cnccc-23)c1
O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc-2c(COc3cnccc-23)c1
C[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccccc1Cl
COc1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cccnc-23)c1
Fc1cc(Cl)ccc1CNC(=O)c1ccc-2c(COc3cnccc-23)c1
Fc1cc(F)cc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
FC(F)Oc1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
C[C@@H](NC(=O)c1ccc-2c(COc3cnccc-23)c1)c1ccc(F)cc1
OC[C@H](Cc1ccccc1)NC(=O)c1ccc-2c(COc3cnccc-23)c1
COC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
OC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CC(C)(O)CNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CCNC(=O)c1cc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)ccc1F
CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CCN1CCC[C@H]1NC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1 |r|
COC(=O)c1cc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)ccc1F
CN1CC(C1)NC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
OC(=O)c1cc(NCc2cccc(CNC(=O)c3ccc-4c(COc5cnccc-45)c3)c2)ccc1F
O=C(NC[C@H]1CCCN1)c1cccc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)c1
CC(C)(O)CNC(=O)c1cc(CNC(=O)c2ccc-3c(COc4cnccc-34)c2)ccc1F
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)OC
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(O)=O
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
COC(=O)c1cccc(CNCc2ccc-3c(c2)C(C)Oc2cnccc-32)c1
CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(O)=O
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(c1)C(C)Oc1cnccc-21
CNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
CCNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)N(C)C1CC1
CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NC1(C)CC1
C[C@@H](NC(=O)c1ccc-2c(c1)C(C)Oc1cnccc-21)c1ccc(F)cc1
CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(N)=O
CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NC1CC1
CC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
CCN1CCC[C@H]1CNC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1ccc(F)c(c1)C(O)=O
CCNC(=O)c1cc(CNC(=O)c2ccc-3c(c2)C(CC)Oc2cnccc-32)ccc1F
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@@H](C)c1ccccc1 |r|
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cc(OC)ccc1F
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1ccc(F)cc1Cl
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1cccc(c1)C#N
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NC1(CC1)c1ccccc1Cl
C[C@@H](NC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1)c1ccccc1
COc1ccc(F)c(CNC(=O)c2ccc-3c(c2)C(Oc2cnccc-32)C2CC2)c1
OCCC(NC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1)c1ccccc1
Fc1ccc(CNC(=O)c2ccc-3c(c2)C(Oc2cnccc-32)C2CC2)c(Cl)c1
O=C(NCc1cccc(c1)C#N)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1ccc(F)cc1
C[C@@H](NC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1)c1ccc(F)cc1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NCc1c(F)cccc1Cl
Fc1cccc(Cl)c1CNC(=O)c1ccc-2c(c1)C(Oc1cnccc-21)C1CC1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)NC(CCO)c1ccccc1
C[C@@H](NC(=O)c1ccc-2c(c1)C(CC(O)CO)Oc1cnccc-21)c1ccccc1
C[C@@H](NC(=O)c1ccc-2c(COc3cncnc-23)c1)c1ccccc1
NC[C@@H](NC(=O)c1ccc-2c(COc3cncnc-23)c1)c1ccccc1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cncnc-23)c1
COC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cncnc-34)c2)c1
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc-2c(COc3cncnc-23)c1
Clc1ccccc1CNC(=O)c1ccc-2c(COc3cncnc-23)c1
O=C(N[C@@H]1CNC[C@H]1c1ccccc1)c1ccc-2c(COc3cncnc-23)c1
CC(C)(O)CNC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cncnc-34)c2)c1
OC(=O)c1cccc(CNC(=O)c2ccc-3c(COc4cncnc-34)c2)c1
C[C@@H](NC(=O)c1ccc2c(c1)oc(=O)c1cnccc21)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc2c(c1)oc(=O)c1cnccc21)c1ccccc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=O)c1cnccc21 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)n(CCN(C)C)c(=O)c1cnccc21 |r|
CCn1c2cc(ccc2c2ccncc2c1=O)C(=O)N[C@H](C)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc-2c(OCc3cnc(NC(C)=O)cc-23)c1)c1ccccc1 |r|
CC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1c(F)cccc1F
Fc1cccc(Cl)c1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
CN(C)CCC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1
Fc1ccc(Cl)c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)c1
CC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1c(F)cccc1F |w:1.0|
COc1cccc(n1)C(C)NC(=O)c1ccc-2c(OCc3cnccc-23)c1
OCC(NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1F
Fc1cccc(F)c1CNC(=O)c1ccc-2c(OCc3cnccc-23)c1
COC[C@@H](NC(=O)c1ccc-2c(OCc3cnccc-23)c1)c1ccccc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(OCc3cnc(N)cc-23)c1 |r|
C[C@@H](NC(=O)c1ccc-2c(c1)C(CC(O)CO)Oc1cnccc-21)c1ccccc1 |r|
FC(F)Oc1cccc(CNC(=O)c2ccc-3c(c2)C(Oc2cnccc-32)C2CC2)c1
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@@H](CCO)c1ccccc1 |r|
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1 |r,w:2.1|
C[C@@H](NC(=O)c1ccc-2c(COc3cnc(F)cc-23)c1)c1ccccc1 |r|
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](CCO)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2-c3ccncc3OC(C)(C)c2c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc2-c3ccncc3OC(C)(C)c2c1)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc-2c(COc3cnc(N)cc-23)c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc-2c(COc3cnc(NC(C)=O)cc-23)c1)c1ccccc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cnc(N)cc-23)c1 |r|
CC1(C)Oc2cnccc2-c2ccc(cc12)C(=O)N[C@H](CO)c1ccccc1 |r|
Nc1cc-2c(OCc3cc(ccc-23)C(=O)N[C@H](CO)c2c(F)cccc2F)cn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cnc(NC(C)=O)cc-23)c1 |r|
CC(C)CC(=O)Nc1cc-2c(OCc3cc(ccc-23)C(=O)N[C@H](C)c2ccccc2)cn1 |r|
C[C@@H](NC(=O)c1ccc-2c(COc3cnc(NC(=O)CCc4ccccc4)cc-23)c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc-2c(COc3cnc(NC(=O)CCN4CCOCC4)cc-23)c1)c1ccccc1 |r|
COC(=O)Nc1cc-2c(OCc3cc(ccc-23)C(=O)N[C@H](C)c2ccccc2)cn1
CC(C)OC(=O)Nc1cc-2c(OCc3cc(ccc-23)C(=O)N[C@H](C)c2ccccc2)cn1
C[C@@H](NC(=O)c1ccc2c(c1)n(CC=C)c(=O)c1cnccc21)c1ccc(F)cc1
C[C@@H](NC(=O)c1ccc2c(c1)n(CCN1CCCC1)c(=O)c1cnccc21)c1ccc(F)cc1
C[C@@H](NC(=O)c1ccc2c(c1)n(CCO)c(=O)c1cnccc21)c1ccc(F)cc1
COCCn1c2cc(ccc2c2ccncc2c1=O)C(=O)N[C@@H](C)c1ccccc1 |r|
COCCn1c2cc(ccc2c2ccncc2c1=O)C(=O)N[C@H](C)c1cccc(OC)c1
C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=O)c1cnccc21)c1ccc(F)cc1 |r|
COc1cccc(CNC(=O)c2ccc3c4ccncc4n(C)c(=O)c3c2)c1
CCn1c2cnccc2c2ccc(cc2c1=O)C(=O)NCc1cccc(OC)c1
COc1cccc(CNC(=O)c2ccc3c4ccncc4[nH]c(=O)c3c2)c1
Clc1ccccc1CNC(=O)c1ccc2c3ccncc3[nH]c(=O)c2c1
C[C@@H](NC(=O)c1ccc-2c(CNc3cnccc-23)c1)C1C=CC=CC1=O |c:23,25|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c3ccncc3[nH]c(=O)c2c1
Cn1c2cnccc2c2ccc(cc2c1=O)C(=O)NCc1cccc(Cl)c1
CCn1c2cnccc2c2ccc(cc2c1=O)C(=O)N[C@H](C)c1ccccc1
CCn1c2cnccc2c2ccc(cc2c1=O)C(=O)N[C@@H](C)c1cccc(Cl)c1
COc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2cnccc32)c1
C[C@@H](NC(=O)c1ccc2c(c1)[nH]c1cnccc21)c1ccccc1 |r|
Clc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c1cnccc21
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1cnccc21 |r|
OCC(NC(=O)c1ccc2c(c1)[nH]c1cnccc21)c1ccccc1
COc1cccc(c1)C(CCO)NC(=O)c1ccc2c(c1)[nH]c1cnccc21
CCOC(=O)CC(NC(=O)c1ccc2c(c1)[nH]c1cnccc21)c1cccc(OC)c1
Cn1c2cnccc2c2ccc(cc12)C(=O)NCc1ccccc1Cl
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)n(C)c1cnccc21 |r|
C[C@@H](NC(=O)c1ccc2c(c1)n(C)c1cnccc21)c1ccccc1 |r|
COc1cccc(CNC(=O)c2ccc3c(c2)n(C)c2cnccc32)c1
Cn1c2cnccc2c2ccc(cc12)C(=O)NCc1cccc(OC(F)(F)F)c1
Cn1c2cnccc2c2ccc(cc12)C(=O)NCc1cccc(F)c1
Clc1ccccc1CNC(=O)c1ccc2c(c1)n(CC1CC1)c1cnccc21
CCn1c2cnccc2c2ccc(cc12)C(=O)NC(CO)c1ccccc1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1cncc(F)c21 |r|
COc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2cncc(F)c32)c1
Fc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2cncc(F)c32)c1
Fc1cccc(F)c1CNC(=O)c1ccc2c(c1)[nH]c1cncc(F)c21
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1c(F)nccc21 |r|
COc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2c(F)nccc32)c1
FC(F)(F)Cn1c2cnccc2c2ccc(cc12)C(=O)NCc1ccccc1Cl
COc1cccc(CNC(=O)c2ccc3c(c2)n(CC(F)(F)F)c2cnccc32)c1
C[C@@H](NC(=O)c1ccc2c(c1)n(CC(F)(F)F)c1cnccc21)c1ccccc1 |r|
Fc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2c(F)nccc32)c1
Fc1cccc(F)c1CNC(=O)c1ccc2c(c1)[nH]c1c(F)nccc21
Fc1nccc2c3ccc(cc3[nH]c12)C(=O)NCc1ccccc1Cl
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1cnc(F)cc21 |r|
Fc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2cnc(F)cc32)c1
Fc1nccc2c3ccc(cc3[nH]c12)C(=O)NCc1cccc(c1)C#N
CCn1c2cnccc2c2ccc(cc12)C(=O)NCc1cccc(OC)c1
CCn1c2cnccc2c2ccc(cc12)C(=O)NCc1cccc(Cl)c1
CCn1c2cnccc2c2ccc(cc12)C(=O)NCc1cccc(c1)C#N
CCn1c2cnccc2c2ccc(cc12)C(=O)NCc1ccccc1F
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)oc1c(nccc21)C(F)F |r|
COc1ccc(F)c(CNC(=O)c2ccc3c(c2)[nH]c2cncc(C)c32)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)oc1cnccc21 |r|
C[C@@H](NC(=O)c1ccc2c(c1)oc1cnccc21)c1ccccc1 |r|
Clc1ccccc1CNC(=O)c1ccc2c(c1)oc1cnccc21
Fc1cccc(CNC(=O)c2ccc3c(c2)oc2cnccc32)c1
OCC(NC(=O)c1ccc2c(c1)oc1cnccc21)c1ccccc1
Fc1ccc(CNC(=O)c2ccc3c(c2)oc2cnccc32)cc1
COc1ccc(CNC(=O)c2ccc3c(c2)oc2cnccc32)cc1
O=C(NCc1cccc(c1)C#N)c1ccc2c(c1)oc1cnccc21
Fc1ccccc1CNC(=O)c1ccc2c(c1)oc1cnccc21
CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc3c(c2)oc2cnccc32)c1
FC1(F)Oc2ccc(CNC(=O)c3ccc4c(c3)oc3cnccc43)cc2O1
COc1cccc(c1)C(CCO)NC(=O)c1ccc2c(c1)oc1cnccc21
COc1cccc(CNC(=O)c2ccc3c(c2)oc2cncc(F)c32)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)oc1cncc(F)c21 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)oc1c(nccc21)C(F)F
COc1cccc(c1)[C@H](C)NC(=O)c1ccc2c(c1)oc1c(nccc21)C(F)F
C[C@@H](NC(=O)c1ccc2c(c1)n(CC#N)c1cnccc21)c1ccccc1
Cc1nccc2c3ccc(cc3[nH]c12)C(=O)NCc1ccccc1Cl
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1c(C)nccc21
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c1cnc(C)cc21
COc1ccc(F)c(CNC(=O)c2ccc3c(c2)[nH]c2c(C)nccc32)c1
COc1cccc(CNC(=O)c2ccc3c(c2)[nH]c2c(C)nccc32)c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
Fc1ccc2CN(Cc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2CN(Cc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc2C1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1cccnc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NCc1ccccc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccncc1
CN(Cc1ccccc1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2[nH]1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nc2ccccc2o1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(CC1)c1ccccc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1
COC[C@@H]1CCCN1C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |r|
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NCC1CC1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCN(CC1)c1ncccn1
COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(Cc2ccccc2)CC1
CC(=O)N[C@H]1C[C@@]1(c1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCC1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccccc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccc2ncsc2c1
CN(C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
c1ccc2c(c1)CCN2C(=O)Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccc2OCCOc2c1
CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
Cc1cc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)on1
Cc1cc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)no1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nccs1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1nncs1
Clc1ccc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)nn1
Cc1nnc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)s1
Cc1ccc2N(CCc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc12
FC(F)(F)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC1(C)OB(OC1(C)C)c1ccc(CC(=O)N2Cc3ccccc3C2)c(F)c1
Fc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
CC1(C)CN(C(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC1Cc2ccccc2N1C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC(C(=O)N1CCc2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C(=O)N1Cc2ccccc2C1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1Cc2ccccc2C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1csc(n1)-c1ccncc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1csc(n1)-c1ccccc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ncc(s1)-c1ccncc1
FC(F)(F)c1ccc(cc1)-c1nc(cs1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1cc(F)cc(c1)N(C(=O)c1cscn1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1csc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN1CCc2nc(sc2C1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1ccnc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nc2CCCCc2s1
[O-][N+](=O)c1ccc(cc1)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCN(Cc2ccccc2)CC1
COCCN1CCC(C1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCN(Cc2ccccc2)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cccc(c1)N1CCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCOCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)-n1ccnc1
CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C(Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
COc1ccc2CN(Cc2c1)C(=O)Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1ccc2CN(Cc2c1)C(=O)Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Oc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
O=c1[nH]nc(-c2ccc(Nc3ncc(o3)-c3ccccc3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3nc(cs3)-c3ccccc3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3nc4ccccc4o3)cc2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccccc12
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1CCc2ccccc12
O=c1[nH]nc(-c2ccc(Nc3ncc4ccccc4n3)cc2)c2ccccc12
COc1ccc2CCN(C(=O)Nc3ccc(cc3)-c3c[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N[C@@H]1CCc2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N[C@H]1CCc2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3ccccc3)cc12
O=c1[nH]nc(-c2ccc(Nc3nc4ccccc4s3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3nncc4ccccc34)cc2)c2ccccc12
Cc1ccc2oc(Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)nc2c1
O=c1[nH]nc(-c2ccc(Nc3nnc(s3)-c3ccccc3)cc2)c2ccccc12
O=c1[nH]nc(-c2ccc(Nc3ncc(s3)-c3ccccc3)cc2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn2ccccc2n1
Cn1c(cc2ccccc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCc2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)-n1cncn1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1onc2ccccc12
CN(C)c1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc2ccccn2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1c(cc2cc(Cl)ccc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC1(C)CCc2[nH]cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2C1=O
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2ccccc2)c2ccccc12
CCOc1ccc2oc(C)c(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cc2ncccn2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnc2ccccn12
Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Oc1cccc2OC(Cc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCn1c(cc2ccccc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)c1c(cn2nc[nH]c(=O)c12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2CCCC(=O)c12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ncccc12
CN1Cc2occ(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2C(=O)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nc2ncccn2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2cccnc12
Clc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nc2ccccc2s1
Cn1nc2CCCCc2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc2[nH]cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1noc2ccccc12
Clc1cnc2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1cnc2[nH]cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cn2cc(nc2cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1cc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
COc1ccc2[nH]nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Clc1nccn2cc(nc12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1ccn2cc(nc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2cc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)n(C)c2c1
CC(C)Oc1ccc2cc([nH]c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc2cc([nH]c12)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCOc1ccc2n(C)c(cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc2ccccc2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)n1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn2ccncc2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn2CCCCc2n1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1c[nH]c2ncccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cc2ccccc2n1Cc1ccccc1
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)Cn1cc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
Cc1nc2cc(C)ccn2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCc1nc2ncccn2c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccc2c(cnn2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN(C)CCN(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(N(CC1COC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1[nH]nc2ccccc12
O=C(N(CC1COC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
CC1(CN(C(=O)c2n[nH]c3ccccc23)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)COC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCOC2)c2ccccc12
OC(COCc1ccccc1)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCCO2)c2ccccc12
OCC(O)CN(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(N(CC1CCOCC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
COCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(N(CC1CCO1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
CC(O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
COCCOCCN(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(N(CCC1CCOCC1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
O=C(N(CCOCc1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
Fc1ccc2c(nn(CC3COC3)c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2ccccn2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2cccnc2)c2ccccc12
O=C(N(CCCOCc1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12
COCCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCCCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(Cc2ccncc2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1c[nH]c2ccncc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2cc(F)ccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCCCO2)c2ccccc12
CC(C)(O)Cn1cc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2cccnc12
Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1ccc2n(CC3CCOC3)nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Fc1ccc2c(nn(CC3CCOC3)c2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COCCOc1ccc2c(cnn2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2cc(OCCN3CCCC3)ccc12
CN(C)CCON(C(=O)c1cnn2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)=C(F)N(C(=O)c1n[nH]c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |(-13.76,-7.11,;-12.73,-8.25,;-13.2,-9.72,;-11.22,-7.93,;-10.74,-6.47,;-10.19,-9.08,;-8.68,-8.76,;-7.65,-9.9,;-8.21,-7.29,;-9.11,-6.05,;-8.21,-4.8,;-6.74,-5.28,;-5.41,-4.51,;-4.08,-5.28,;-4.08,-6.82,;-5.41,-7.59,;-6.74,-6.82,;-10.67,-10.54,;-12.17,-10.86,;-12.65,-12.33,;-11.62,-13.47,;-10.11,-13.15,;-9.64,-11.68,;-12.09,-14.93,;-13.6,-15.25,;-14.08,-16.72,;-13.05,-17.86,;-13.52,-19.33,;-11.54,-17.54,;-10.51,-18.69,;-9,-18.37,;-8.53,-16.9,;-9.56,-15.76,;-11.06,-16.08,)|
COc1cc2cc(oc2cc1F)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2ccc(OCCN3CCCC3)cc12
COCCOc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC(O)COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
OCCOc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2ccc(OCCN3CCOCC3)cc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn2cc(OCCN3CCOCC3)ccc12
Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)(F)c1c(cnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)-c1ccccc1
Cn1ncc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1-c1ccccc1
Fc1c(Cl)cccc1C1=NOC(C1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |t:9|
COCC(O)COc1ccn2ncc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cccc(c1)-n1cnc(c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CC(=NO1)c1ccccc1 |c:25|
COc1ccccc1-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Clc1cccc(c1)-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Clc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(Cc2ccccc2)c1
Cn1nc(cc1C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12 |TLB:13:8:15:12.14.11,13:12:15:9.8.7,THB:7:6:9.8.13:11,7:8:6.15.14:11,5:6:9.8.13:11|
Fc1c(Cl)cccc1CN(C(=O)c1cn[nH]c1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc(c1)-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1C(C)(C)C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cccc(c1)N1CCC(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1=O
Cc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Fc1c(Cl)cccc1N1CC(CC1=O)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CCN(C1=O)c1ccccc1
COc1ccccc1N1CCC(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1=O
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CN(C(=O)C1)c1ccccc1
CC(C)N1CC(CC1=O)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nn(c(C)c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)-c1ccccc1
Clc1ccccc1-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)c1c(nnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1c(nnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)c1ccc(CN(C(=O)c2cnoc2)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)cc1
Cc1nocc1C(=O)N(c1ccc(CO)cc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCc1c(nnn1-c1cccc(Cl)c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccn(n1)-c1ccccc1
Cn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nn(cc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)-c1ccccc1
CCCc1cc(nn1C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1c[nH]c(n1)-c1ccccc1
CCCc1c(nnn1-c1ccccc1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1c(nnn1-c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCn1cncc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(C)n1cc(NC(=O)c2ccncc2)c(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(nn1C(C)(C)C)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccnn1-c1ccccc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1n[nH]c(n1)-c1ccccn1
Cc1n[nH]nc1C(=O)N(c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1Cl
COc1ccc(C#N)c(c1)-n1cnc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ncn(n1)-c1ccccn1
CC1CC(N(NC(=O)c2cncs2)c2ccccc12)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc(c[nH]1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cc1nc(Nc2ccccc2)sc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CN(C)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1nc2CCCCc2s1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1onc2ccccc12
Cn1c(cc2ccccc12)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCOCC1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCC1
COc1cc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c(C)c1
FC(F)(F)Oc1cc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c(Br)c1
CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3c[nH]c(=O)c4ccccc34)c2c1
COc1cc2c(c[nH]c(=O)c2cc1OC)-c1ccc(CC(=O)N2Cc3ccccc3C2)cc1
Fc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1c[nH]c(=O)c2ccccc12
COc1ccc2CCN(C(=O)Nc3ccc(cc3)-c3c[nH]c(=O)c4cc(OC)c(OC)cc34)c2c1
CC(C)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1n[nH]c(=O)c2ccccc12
Fc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(CC(=O)N2Cc3ccccc3C2)cc1
Cc1cc(CC(=O)N2Cc3ccccc3C2)ccc1-c1c[nH]c(=O)c2ccccc12
Cc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1c[nH]c(=O)c2ccccc12
CC(C)(O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(NC(=O)N2CCc3ccccc23)cc1
COc1ccc2CN(Cc2c1)C(=O)Oc1ccc(cc1)-c1c[nH]c(=O)c2ccc(OC)cc12
COc1ccc2CCN(C(=O)Nc3ccc(cc3)-c3c[nH]c(=O)c4ccc(OC)cc34)c2c1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(OC(=O)N2Cc3ccccc3C2)cc1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3cccnc3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3ccccn3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCc3ccncc3)cc12
CC(C)Oc1ccc2N(CCc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(O[C@@H]3CCOC3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(O[C@H]3CCOC3)cc12
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1noc2CCCCc12
CN1CC[C@H](C1)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CC(C)(C)c1cc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)no1
CN(C)CCOc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1onc(NC(=O)Cc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1C
CN1CC[C@@H](C1)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN1CCC(CC1)Oc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
COC(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCC3COC3)cc12
[O-][N+](=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCCN3CCCC3)cc12
Fc1cc(CC(=O)N2CCc3ccccc23)ccc1-c1c[nH]c(=O)c2ccccc12
CC(C)(O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3c[nH]c(=O)c4ccccc34)c2c1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(CC(=O)N2CCc3ccc(OCC(C)(C)O)cc23)cc1
OC(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN(C)C(=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN1CCN(CC1)C(=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(cc12)C(=O)N1CCOCC1
OC1CCN(CC1)C(=O)c1ccc2N(CCc2c1)C(=O)Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OC1CCN(CC1)C(=O)c1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
O=C(Cc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCc2ccc(OCC(=O)N3CCOCC3)cc12
NC(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN1CCN(CC1)C(=O)COc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc2CCN(C(=O)Cc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c2c1
Cc1cc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CN(C)CCn1nc(C(=O)Nc2ccc(c(C)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CN(C)CCn1nc2ccccc2c1C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2n(CC3COC3)nc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2onc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2nn(CC3CCN(Cc4ccccc4)CC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2c[nH]c3ncc(F)cc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1cccc2cc([nH]c12)C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cnn3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1nc2ccccn2c1C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cnc3ccccn23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2nn(CC3(C)COC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(c(Cl)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(C)OC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
Clc1cc(NC(=O)c2cnc3ccccn23)ccc1-c1n[nH]c(=O)c2ccccc12
Clc1cc(NC(=O)c2nn(CC3CCOCC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Clc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CC1(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)COC1
Cc1cc(NC(=O)c2nn(CC3CCN(CCCCO)CC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCCCCN1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1ccc2c(c1)c(c[nH]c2=O)-c1ccc(NC(=O)N2CCc3ccccc23)cc1C
Cc1cc(NC(=O)N2CCc3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cc1cccc(C(CONC(=O)c2cnn3ccccc23)N2CCCC2)c1-c1n[nH]c(=O)c2ccccc12 |(5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;-.17,-5.07,;-1.2,-6.21,;-2.71,-5.89,;-3.74,-7.04,;-5.25,-6.72,;-5.72,-5.25,;-6.28,-7.86,;-5.96,-9.37,;-7.29,-10.14,;-8.43,-9.11,;-9.97,-9.27,;-10.87,-8.02,;-10.25,-6.62,;-8.71,-6.46,;-7.81,-7.7,;-.65,-3.61,;-2.11,-3.13,;-2.11,-1.59,;-.65,-1.11,;.26,-2.36,;2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,)|
Cc1cc(NC(=O)c2nn(CC3CNC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Clc1cc(NC(=O)c2nn(CC3CNC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OC(=O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(c(Cl)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
CN1CC(Cn2nc(C(=O)Nc3ccc(c(C)c3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
OC(=O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
COC(=O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)CNC(=O)Cn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OC1(CNC(=O)Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CCC1
CC(C)(O)CNC(=O)CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
O=C(CCn1nc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12)N1CCOCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CNC2)c2ccccc12
CC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
CN1CC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
COC(=O)N1CC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1nn(CC2CCNCC2)c2ccccc12
CC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1cc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CCOc1cc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CCOc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CC(C)OC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
FCCOC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
FC(F)(F)COC(=O)N1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1cc(ccc1NC(=O)c1nn(CC2CCOC2)c2ccccc12)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2O)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
Oc1cc(ccc1NC(=O)c1nn(CC2CCOC2)c2ccccc12)-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCOC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
CN1CCC(Cn2nc(C(=O)Nc3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)c3ccccc23)CC1
COc1cc(ccc1NC(=O)c1nn(CC(C)(C)O)c2ccccc12)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(cc2F)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCCn1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)(O)Cn1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCc1cc(NC(=O)c2nn(CCC3CCOCC3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2cnn3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
Cn1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
CC(C)n1nc(C(=O)Nc2ccc(c(CO)c2)-c2n[nH]c(=O)c3ccccc23)c2ccccc12
OCc1cc(NC(=O)c2cnc3ccccn23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCOC3)c3ccc(F)cc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCCO3)c3ccccc23)ccc1-c1n[nH]c(=O)c2ccccc12
OCc1cc(NC(=O)c2nn(CC3CCOC3)c3cc(F)ccc23)ccc1-c1n[nH]c(=O)c2ccccc12
COc1ccc2c(n[nH]c(=O)c2c1)-c1ccc(NC(=O)c2nn(CC(C)(C)O)c3ccccc23)cc1
COc1ccc2c(n[nH]c(=O)c2c1)-c1ccc(NC(=O)c2cn3ccccc3n2)cc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CC2(CCNCC2)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn(nn1)C1CCNCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCCC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(CC2CC2)c1
FC(F)(F)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(C)(O)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OC(Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C(F)(F)F
COCC(O)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
OC(Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)(C(F)(F)F)C(F)(F)F
CC(C)(C)n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CCCn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)C(F)(F)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCOCC1
FC(F)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
CC(O)Cn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Clc1ccc(cc1)-n1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1COC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCOC1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cn[nH]c1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1C2CCC1CC2
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)[C@H]1C[C@@H]2CC[C@H]1C2 |THB:23:25:28.29:31|
Cc1c(cnn1-c1ccccc1)C(=O)Nc1ccc(c(C)c1)-c1n[nH]c(=O)c2ccccc12
Cc1cc(NC(=O)c2cc(n(C)n2)C(C)(C)C)ccc1-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCS(=O)(=O)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(c1)C1CCNC1
FC(F)(F)CCn1cc(cn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1cnn(CCCN2CCCC2)c1
COc1ccc(cc1)-n1nnc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1C
COc1ccc(cc1)-n1nnc(C)c1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1OC(F)F)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1cccc(c1)-n1cc(nn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
COc1ccccc1-n1nnc(C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1C
COc1ccccc1-n1cc(nn1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
Cn1nc(cc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C1CC1
Cn1nc(cc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)C(F)(F)F
FC(F)(F)Cn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)n1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)Cn1nccc1C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
FC(F)Cn1ccc(n1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br
NC(=O)CCCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-1)-n1cnc2c(-[#7])ncnc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
O=C(Nc1ccnnc1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)cc2nccn12
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1ncnc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)C1NC(Nc2ccc3[nH]ncc3c2)=c2sccc2=N1 |c:41,t:35|
O=C(NCc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1nnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnncc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2cc(ccc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1c[nH]c2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)C(=O)Nc1ccnnc1
Fc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Cc1nc(nc(Nc2ccc3[nH]ncc3c2)c1C)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
O=C(Nc1ccnnc1)c1ccc2ccc(cc2n1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Cc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Cc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Cc1c(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)C(=O)Nc2ccnnc2)ccc2[nH]ncc12
CN(C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)c1ccnnc1
Fc1ccccc1Cn1nnc2c(ncnc12)-n1ccnc1
CCc1cc2c(s1)N=CNC2=O
CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cn[nH]c12
Cn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
CC(=O)c1cccc(c1)-n1nnnc1SCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
Oc1ccc(cc1)-c1nnc(SCC(=O)c2cccs2)n1Cc1ccco1
Nc1nc2ccccc2n1C(=O)CCc1ccccc1
COc1ccc2cc3c(N)c(sc3nc2c1)C(=O)NCc1ccco1
O=C(c1ccccc1)c1ccc2nc[nH]c2c1
COC(=O)c1cccc2C(N=O)c3ccccc3-c12
O=C(CSc1nnc([nH]1)-c1ccncc1)c1ccccc1
COc1ccc2[nH]c(=O)c3C=CC(C)(C)Oc3c2c1 |c:10|
CCN1CCN(Cc2nnnn2C(C)(C)C)CC1
O=C(Nc1ccncc1)C1(CCCC1)c1ccccc1
O=C(Cc1ccccc1)Nc1ccc2oc(nc2c1)-c1ccncc1
Cc1ccc(Cn2c(nc3ccccc23)-c2nonc2N)cc1
Cc1cccc(NC(=O)CSc2nnc(o2)-c2ccco2)c1C
Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)C3CC3)cc2c1=O
Cc1[nH]nc2OC(=N)C(C#N)C(c3ccc(o3)-c3ccccc3C#N)c12
O=C(CCCOc1ccccc1)Nc1ccncc1
Cc1c(oc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1cccnc1
COc1ccc2c(Cl)c(sc2c1)C(N)=O
Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)Cn1c(noc1=O)-c1ccccc1
Clc1ccc2c(c1)nc[nH]c2=O
CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
O=C(NCc1ccc2OCOc2c1)c1ccc2snnc2c1
Oc1cccc(NC(=O)CSc2nc(c[nH]2)-c2ccc(F)cc2)c1
Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)-c1cccs1
Cc1ccc(cc1)-n1c(nnc1-c1ccncc1)-c1ccco1
COc1cc(N)cc(NC(=O)c2ccncc2)c1
CN1C(N=O)c2cccc3cccc1c23
c1[nH]c2ccccc2c1-c1ccncc1
c1ccc2c(c1)c3ccncc3[nH]2
Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
c1cc2c(cc1N)cn[nH]2
Cc1cc(=O)n([nH]1)-c1ccccc1
Nc1ccc2cn[nH]c2c1
C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3
[H][C@@]12CCCN1C(=O)[C@H](C(C)C)N1C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]21O)C(C)C |c:36|
Cc1ccc2c(n1)sc1c(N)ncnc21
CC(=O)c1cc(C#N)c(SCc2ccncc2)nc1C
CCOC(=O)C1=C(CSc2nc(ccc2C#N)-c2ccncc2)OC(=N)C(C#N)C1c1cccnc1 |c:5|
C1CCC(CC1)Nc1ncnc2nc[nH]c12
C(Cn1c(N=Cc2cccs2)nc2ccccc12)N1CCCCC1 |w:4.3|
COc1ccc2[nH]c3c(ncn(Cc4ccco4)c3=O)c2c1
Cc1cc2c(ccc3[nH]onc23)n1
N#Cc1c2CCCCCc2sc1N=Cc1ccco1 |w:12.13|
N#Cc1c2CCCCCc2sc1N=Cc1cccs1 |w:12.13|
CC(=O)CSc1ncnc2nc[nH]c12
CC(C)CC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Cc1cc(=O)n([nH]1)-c1ccc2ccccc2n1
Fc1ccccc1C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
C(Sc1nnc(o1)-c1ccncc1)c1nc2ccccc2[nH]1
CCCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
O=C(Oc1cccc2c1cc[nH]c2=O)c1ccccc1
Clc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
C1CN(CCO1)c1ncnc2nc[nH]c12
COc1ccc2n(C)c3c(ncn(Cc4ccco4)c3=O)c2c1
OC(=O)c1cc(NCc2ccc3OCOc3c2)ccc1N1CCOCC1
C1Oc2ccc(cc2O1)-c1csc(Nc2ccc3OCCOc3c2)n1
O=C(COc1ccc(cc1)-c1nnco1)Nc1sccc1C#N
OC1Cn2n(C1)c(=O)ccc2=O
C(Nc1ncnc2sc3CCCCCc3c12)c1ccco1
CCC(=O)Nc1ccc(cc1)C(=O)Cn1nc(C(O)=O)c2ccccc2c1=O
CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1
Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1ccc2OCOc2c1
O=C(Nc1nc(cs1)-c1ccncc1)c1ccco1
COc1ccc(CCC(=O)Nc2nc3CCN(C)Cc3s2)cc1OC
CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1
Nc1ncnc2n(ncc12)-c1ccccc1
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1
CC(=O)c1ccc(NC(=O)C2CC(=NO2)c2ccc(F)cc2)cc1 |c:12|
CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccs1
CSc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1
Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2
CN1C(=O)CSc2ccc(NC(=O)NCc3cccnc3)cc12
COC1(OC)N=C(N)C2(C#N)C(c3ccc4OCOc4c3)C12C#N |t:5|
C1COC2(CCN(CC2)c2ncnc3nc[nH]c23)O1
CC(C)CCN1CC(CC1=O)C(=O)N1CCN(CC1)c1ccc(F)cc1
Cc1cccc2cc(=O)[nH]c(C)c12
C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Brc1ccc2[nH]ncc2c1
CCCCc1c(C)nc(N)[nH]c1=O
CN(C1CCCCC1)C(=O)c1cccc(c1)-n1c(O)c2CC=CCc2c1O |c:23|
CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2
O=c1n(CN2CCOCC2)nc2-c3ccccc3-c3cccc1c23
COC(=O)c1sc2cnccc2c1N
Cc1nn(c2CCc3cnc(N)nc3-c12)-c1ccccn1
COc1cccc(c1)-c1nnc(SCC(=O)c2cccs2)n1CC=C
c1cc2cnccc2c(c1)N
COc1ccc2cc3cc(oc3nc2c1)C(=O)NCC1COc2ccccc2O1
CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OC)cc1
Oc1ccc2C(C(C#N)C(=N)Oc2c1)c1ccncc1
COc1ccc2[nH]c3c([nH]c(=S)n(CCCCC(=O)NCCN4CCCC4)c3=O)c2c1
CCn1cc(C(=O)Nn2cnnc2)c(=O)c2ccc(C)nc12
COCCN(CCOC)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1ccncc1
CCOC1(OCC)N=C(N)C2(C#N)C(c3ccc(NC(C)=O)cc3)C12C#N |t:7|
CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Cc1c(nnn1-c1nonc1N)C(=O)OCc1ccccc1
Cc1[nH]c2ccccc2c1C1=CCNCC1 |t:12|
Cc1cccc(N2CCN(CC2)C(=O)c2cn(C)c(=O)c3n(C)c4ccccc4c23)c1C
Cc1csc(NC(=O)CSc2nnc(o2)-c2ccncc2)n1
Cn1c(CSCc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1nccs1
Cc1onc(c1C(=O)Nc1nnc(s1)-c1ccncc1)-c1ccccc1
Clc1ccccc1NC(=O)CSc1nnc(o1)-c1ccncc1
CC(CC(=O)Nc1ccncc1)c1ccccc1
Clc1cccc(NC(=O)c2ccncc2)c1
CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1nnc(C)s1
Fc1cccc(Cl)c1CC(=O)Nc1ccncc1
Cc1occc1C(=O)Nc1nnc(s1)-c1ccncc1
O=C(Nc1ccc2C(=O)NC(=O)c2c1)C1CCCCC1
CCCCC(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
Fc1cccc(F)c1C(=O)Nc1ccncc1
Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
CCn1ncc(Cl)c1C(=O)Nc1ccncc1
CC(C)CN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccncc1
Clc1ccc(cc1Cl)C1=NOC(C1)C(=O)N1CCN(CC1)C(=O)c1ccco1 |t:9|
Cc1ccc(o1)C(=O)Nc1ccncc1
CC(CCc1ccccc1)NC(=O)c1ccncc1
Nc1nonc1-c1nc2ccccc2[nH]1
COC(=O)c1nnn(c1CSCCO)-c1nonc1N
CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N
CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1nccs1
C(COc1ccccc1)Cc1nc(no1)-c1ccncc1
O=C(Cc1cccs1)Nc1nnc(s1)-c1ccncc1
NC(=O)c1c(N)scc1-c1cccs1
Nc1sc2CN(CCc2c1C#N)C(=O)OCc1ccccc1
CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
NC(=O)c1sc2nc3CCCc3c(-c3ccco3)c2c1N
Fc1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
Clc1ccccc1-c1nn2c(nnc2s1)-c1ccncc1
CC(=O)c1cccc(NC(=O)NCc2cccs2)c1
COc1ccccc1OCc1ccc(o1)C(=O)Nc1ccncc1
Cc1ccc(SCc2nc(no2)-c2ccncc2)cc1
COCCSc1ccccc1C(=O)Nc1ccncc1
COc1cccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c1
Cc1cc(N2CCOCC2)c2c(N)c(C)cc(C)c2n1
O=C(Nc1ccc(cc1)N1CCOCC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Fc1ccc(NC(=O)Nc2ccncc2)c(F)c1
N#Cc1cc2CCCc2nc1SCc1ccncc1
CCc1c(C)scc1C(=O)Nc1ccncc1
N(c1nc(cs1)-c1ccncc1)c1cccnc1
Nn1c(SCC(=O)Nc2ccc3OCOc3c2)nnc1-c1ccncc1
Cc1cc(Cl)ccc1OCc1nnc([nH]1)-c1ccc(O)cc1
CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1
Cc1cc(NC(=O)CSc2nc(cs2)-c2ccccc2)no1
CC(Oc1ccccc1)C(=O)Nc1ccc(cc1)C(N)=O
CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccncc1
O=C(CSc1ccccc1)Nc1cccc(c1)C#N
C(Nc1nc(cs1)-c1ccncc1)c1ccco1
O=C(Nc1ccncc1)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
Cc1c(C)c2cc(ccc2n1C)C(=O)NCc1cccs1
Cc1onc(c1C(=O)N1CCN(C\C=C\c2ccccc2)CC1)-c1ccccc1
Clc1ccccc1-c1nnc2sc(nn12)-c1ccncc1
Cn1c(cc2sccc12)C(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)c1ccco1
O=C(NCCc1c[nH]c2ccccc12)Nc1cccc(c1)C#N
CC(=O)n1cc(-c2ccncc2)c2ccccc12
FC(F)(F)c1cccnc1N1CCN(CC1)c1ncnc2nc[nH]c12
CCN(CC)S(=O)(=O)c1ccc2NC(=O)c3cccc1c23
CC1Cc2ccccc2N1c1ncnc2nc[nH]c12
C1CC(=CCN1c1ncnc2nc[nH]c12)c1ccccc1 |c:2|
C1CCN(CC1)c1ncnc2nc[nH]c12
C(CNc1ncnc2nc[nH]c12)Cn1ccnc1
C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccccc1
CCCN(CCC)c1ncnc2nc[nH]c12
C(Nc1ncnc2nc[nH]c12)c1ccco1
Cc1cccc(Nc2ncnc3nc[nH]c23)c1
CCOC(=O)N1CCN(CC1)c1ncnc2nc[nH]c12
O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1
OC1CCN(CC1)c1ncnc2nc[nH]c12
COc1ccc(cc1)N1CCN(CC1)c1ncnc2nc[nH]c12
OCCN1CCN(CC1)c1ncnc2nc[nH]c12
C1CCC(C1)Nc1ncnc2nc[nH]c12
COc1ccccc1CNc1ncnc2nc[nH]c12
CCCCC(=O)Nc1ccc2C(=O)NC(=O)c2c1
C1CCCN(CC1)c1ncnc2nc[nH]c12
COc1ccccc1N1CCN(CC1)c1ncnc2nc[nH]c12
CCOC(=O)C1CCN(CC1)c1ncnc2nc[nH]c12
CN(CCO)c1ncnc2nc[nH]c12
C(N1CCN(CC1)c1ncnc2nc[nH]c12)c1ccc2OCOc2c1
C1CCCC(CC1)Nc1ncnc2nc[nH]c12
O=C(Nc1ccncc1)c1cc2ccccc2o1
CC(=O)c1ccc(OCC(O)COc2ccc(cc2)C(C)=O)cc1
NC(=O)c1sc2nc(N3CCCCC3)c3CCCCc3c2c1N
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1
CCOc1ccc(cc1)C(=O)Nc1ccncc1
CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1
O=C(Nc1ccncc1)c1cccs1
COc1cc(C=Nn2nnnc2N)ccc1OCc1ccc(F)cc1 |w:6.6|
N(c1nc(cs1)-c1ccncc1)c1ccccn1
O=c1cc(oc2ccccc12)-c1ccncc1
CC1(C)CC(=O)C(=CNc2ccc3[nH]ncc3c2)C(=O)C1 |(3.08,-1.95,;4.62,-1.95,;3.85,-3.28,;4.62,-.41,;5.95,.36,;5.95,1.9,;7.29,-.41,;8.62,.36,;9.95,-.41,;11.29,.36,;11.29,1.9,;12.62,2.67,;13.96,1.9,;15.41,2.37,;16.31,1.13,;15.41,-.11,;13.96,.36,;12.62,-.41,;7.29,-1.95,;8.62,-2.72,;5.95,-2.72,)|
CCCC(C)C(=O)Nc1ccc(cc1)C(N)=O
COc1cc(cc(OC)c1OC)N=CC1C(=O)Nc2ccccc12 |w:12.12|
Fc1cccc(c1)C(=O)Nc1ccncc1
CCN1C(=O)N(CC)C(O)(c2ccccc2)C1(O)c1ccccc1
Cc1c(sc(N)c1C#N)C(=O)N1CCCCC1
O=C(Nc1ccncc1)c1ccc2OCCOc2c1
O=NCc1c[nH]c2ccccc12
O=C(Nn1c(=S)[nH]c2ccccc2c1=O)c1ccncc1
Oc1ccc(NC(=O)c2cc(ccc2Cl)S(=O)(=O)N2CCCC2)cc1
CN(C)c1ccc(cc1)-c1ccncc1
Nc1nonc1-c1nc2ccccc2n1CCOC=C
Fc1ccccc1C(=O)Nc1ccncc1
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:6.9,wD:3.2,1.1,(4.6,-3.38,;4.87,-1.86,;6.32,-1.34,;3.69,-.87,;2.92,.46,;1.38,.46,;.61,-.87,;1.38,-2.21,;2.92,-2.21,;-.93,-.87,;-1.7,.46,;-1.7,-2.21,;-3.24,-2.21,;-4.01,-3.54,;-5.55,-3.54,;-6.32,-2.21,;-5.55,-.87,;-4.01,-.87,)|
CC1CN(CCN1)S(=O)(=O)c1cccc2cnccc12
CC(Sc1nc2n(ncc2c(=O)[nH]1)-c1cccc(Cl)c1)C(N)=O
CS(=O)(=O)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
N#Cc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CC(=O)Nc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CS(=O)(=O)c1ccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)cc1
N#Cc1cccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)c1
CC(=O)Nc1ccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CN(C)CCCOc1ccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CSc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)-c1ccccc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)-n1ccnc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)N1CCCC1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)N1CCOCC1
CC(C)Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CCCCc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CC(C)Oc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Cc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1C
CCSc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
OCCOc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CN(C)Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)C1CC1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1cccc(c1)C1CC1
FC(F)(F)Oc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CC(C)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c(C)c1
OCc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(SC2CC2)cc1
CC(C)(C)OC(=O)NCc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CS(=O)(=O)Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
CN(C)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CCc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C#Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
NCc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
CC(=O)c1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C=Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
N#Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
OCCOc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CSc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CS(=O)(=O)Cc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
OCC#Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
OCCC#Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc(cc1)C#CC1CC1
Brc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Oc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
C#Cc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CS(=O)(=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Cc1n[nH]c2ccc(NC3CCCN(Cc4ccccc4)C3)cc12
Nc1n[nH]c2ccc(NC3CCCN(Cc4ccccc4)C3)cc12
CS(=O)(=O)Nc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2occc2c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2OCCOc2c1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2sccc2c1
NC(=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
NS(=O)(=O)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CC(C)(C)OC(=O)NCc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1OCCO
Cc1ccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)cc1O
CCOC(=O)COc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
NCc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Clc1ccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)cc1Cl
FC(F)(F)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
FC(F)(F)c1cccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)c1
CCOc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Cc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
COc1ccccc1CN1CCCC(C1)Nc1ccc2[nH]ncc2c1
Oc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)ccc1I
Clc1ccc(Oc2cccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)c2)cc1
FC(F)(F)c1cccc(Oc2cccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)c2)c1
Brc1ccc(Br)c(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Fc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1F |r|
Fc1ccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)cc1F |r|
CSc1ccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
CSc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
C#Cc1ccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
C#Cc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Cc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
COc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
Clc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1Cl |r|
Clc1ccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)cc1 |r|
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2cc[nH]c2c1
Oc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)ccc1C#C
OCCCOc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
NCCOc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
OC(=O)COc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CS(=O)(=O)Nc1cccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)c1
OCCOc1cccc(CN2CCC(C2)Nc2ccc3[nH]ncc3c2)c1
Nc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)ccc1Cl
OCCOc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OCCOc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OCCOc1cccc(CN2CC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OCCOc1cccc(CN2CC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
NC(=O)COc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
NC(=O)Cn1ccc2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc12
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccc2[nH]ccc2c1
OCCn1ccc2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc12
CS(=O)(=O)Nc1cc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)ccc1Cl
OCCN1CCc2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc12
NC(=O)Cn1ccc2cc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)ccc12
NC(=O)Cn1ccc2ccc(CN3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)cc12 |r|
NC(=O)Cn1ccc2ccc(CN3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)cc12 |r|
OCCn1ccc2ccc(CN3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)cc12 |r|
OCCn1ccc2ccc(CN3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)cc12 |r|
CC(=O)NCCOc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CC(C)(C)OC(=O)Cn1ccc2cc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)ccc12
OC[C@H](O)COc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OCCn1ccc2cc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)ccc12
OC[C@@H](O)COc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
C[C@@H](O)COc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OC(O)COc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
C[C@@H](O)COc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OC(=O)Cn1ccc2cc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)ccc12
CCS(=O)(=O)Nc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CN(c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1)S(C)(=O)=O
CC(=O)NCc1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
CCS(=O)(=O)Nc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
CCS(=O)(=O)Nc1cccc(CN2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OC(=O)COc1cccc(CN2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
OCCOc1cccc(CN2CCC(CC2)Nc2ccc3[nH]ncc3c2)c1
COc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
CS(=O)(=O)c1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
N#Cc1cccc(CN2CCCC(C2)Nc2cccc3cnccc23)c1
CC(=O)Nc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
CS(=O)(=O)c1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
C(N1CCC(C1)Nc1cccc2cnccc12)c1ccccc1
N#Cc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
CC(=O)Nc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
CSc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1
C(N1CCCC(C1)Nc1cccc2cnccc12)c1ccc(cc1)C1CC1
C(N1CCCC(C1)Nc1cccc2cnccc12)c1cccc(c1)C1CC1
C(N1CCCC(C1)Nc1cccc2cnccc12)c1ccc(SC2CC2)cc1
C(N1CCCC(CC1)Nc1cccc2cnccc12)c1ccccc1
Clc1ccc(CN2CCCC(C2)Nc2cccc3cnccc23)cc1Cl
FC(F)(F)c1cccc(CN2CCCC(C2)Nc2cccc3cnccc23)c1
Clc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1Cl
COc1ccc(CN2CCC(C2)Nc2cccc3cnccc23)cc1
FC(F)(F)c1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
C(N1CC[C@@H](C1)Nc1cccc2cnccc12)c1ccc(cc1)C1CC1 |r|
C(N1CC[C@H](C1)Nc1cccc2cnccc12)c1cccc(c1)C1CC1 |r|
C(N1CC[C@H](C1)Nc1cccc2cnccc12)c1ccc(SC2CC2)cc1 |r|
C(N1CC[C@H](C1)Nc1cccc2cnccc12)c1ccc(cc1)C1CC1 |r|
C(N1CC[C@@H](C1)Nc1cccc2cnccc12)c1cccc(c1)C1CC1 |r|
C(N1CC[C@@H](C1)Nc1cccc2cnccc12)c1ccc(SC2CC2)cc1 |r|
Cc1ccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)cc1 |r|
CSc1ccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)cc1 |r|
Clc1ccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)cc1 |r|
Cc1ccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)cc1 |r|
CSc1ccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)cc1 |r|
Clc1ccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)cc1 |r|
C#Cc1ccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)cc1 |r|
OCCOc1cccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CCC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
OCCOc1cccc(CN2CCC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CC[C@@H](C2)Nc2cccc3cnccc23)c1 |r|
OCCOc1cccc(CN2CCC[C@@H](C2)Nc2cccc3cnccc23)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CCC[C@@H](C2)Nc2cccc3cnccc23)c1 |r|
CS(=O)(=O)Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
OCCOc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
NC(=O)COc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
CCS(=O)(=O)Nc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
O=C(COc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1)N1CCOCC1 |r|
OC(=O)COc1cccc(CN2CC[C@H](C2)Nc2cccc3cnccc23)c1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cccnc4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4nnnc4C)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4cccnc4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5cc(ccc5n4)C(N)=O)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4ccncc4)c3)sc2C1
N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4csnn4)c3)sc2C1 |r|
N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4csnn4)c3)sc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4cccnc4)c3)cc2C1
N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5cc(O)ccc5c4)c3)cc2C1
N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)C4CSN=N4)c3)cc2C1 |c:30|
N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4ccncc4)c3)sc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4ccncc4)c3)cc2C1
N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4ccncc4)c3)sc2C1 |r|
Cc1nnnn1-c1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](N)Cc2s1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4nnnc4C)c3)cc2C1
Cc1nnnn1-c1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@H](N)Cc2s1 |r|
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4ccnc4)c3)cc2C1
N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cccnc4)c3)sc2C1 |r|
N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cccnc4)c3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(c4C)-c4nonc4N)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5cc(ccc5n4)C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4cnco4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C(N)=O)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5[nH]4)C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cccnc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5[nH]4)C(N)=O)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nc(sc4C)-c4ccncc4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cccnc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnco4)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C#N)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnc(C)o4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4ccncc4)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4ccncc4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4sc(nc4C)-c4ccncc4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cc(ccc5[nH]4)C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cc(ccc5[nH]4)C(N)=O)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(ccc5n4)C#N)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)N4CCc5c4cccc5C#N)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5n4C)C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cc(ccc5n4C)C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4sc(nc4C)-c4ccncc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cc(ccc5n4C)C(N)=O)c3)cc2C1
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(ccc5n4)C#N)c3)sc2C1 |r|
CCn1c(cc2cc(ccc12)C#N)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cccnc4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnc(C)o4)c3)sc2C1
CCn1c(cc2ccc(cc12)C#N)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4ccncc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5c(cc[nH]c5=O)n4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cc5cc(ccc5n4C)C#N)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4nnn(c4C)-c4nonc4N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cccc(O)c5cc4O)c3)cc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccnc(C)c4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4nnco4)c3)cc2C1
Cc1c(nnn1-c1nonc1N)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cnc(s4)-c4ccnc(C)c4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4cc[nH]n4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5[nH]c(=O)ccc5c4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccc(N)nc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4cncn4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5NC(=O)COc5c4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5NC(=O)CCc5c4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-n4ccnc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4cccnc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cnco4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cnc(s4)-c4cccnc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4c(C)nc5cnccc45)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4ccnc4C)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)N4CCc5c4cccc5C#N)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4nc(cs4)-c4cccnc4)c3)cc2C1
CCN1C(=O)CSc2ccc(cc12)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4ccnc4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4cnco4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)sc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cn[nH]c4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5n4C)C(N)=O)c3)cc2C1
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C#N)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4nnnc4C)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4cccnc4)c3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnco4)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cn[nH]c4)c3)sc2C1
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnco4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cn[nH]c4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4ccnc4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4cnco4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4ccncc4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(c4C)-c4nonc4N)c3)sc2C1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1csc(n1)-c1cccnc1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cn2ccc(cc2n1)C#N |r|
Nc1nonc1-n1nnc(C(=O)NCc2cccc(c2)C(=O)Nc2nc3CC[C@@H](Cc3s2)N2CCOCC2)c1-c1ccccc1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1ccc(cc1)-c1cnco1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1csc(n1)-c1ccncc1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cc(n[nH]1)-c1ccncc1 |r|
Cc1nc(sc1C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)-c1ccncc1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)-c1cn[nH]c1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1ccc(cc1)-n1ccnc1 |r|
Cc1nnnn1-c1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cc2ccc(cc2[nH]1)C#N |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4sc(nc4C)-c4ccncc4)c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4ccncc4)c3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5cc(ccc5n4)C(N)=O)c3)sc2C1
CC(C)(C)OC(=O)NC1CCN(CC1)c1ncnc2[nH]c(=O)[nH]c12
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)c1ccc(Cl)cc1
NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ncnc2[nH]ccc12
NCC1(CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(OC(F)(F)F)cc1
NC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ccnc2[nH]ccc12
c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl
NC1(Cc2ccccc2Cl)CCN(CC1)c1ncnc2[nH]ccc12
CC(C)(C)c1ccc(CC2(N)CCN(CC2)c2ncnc3[nH]ccc23)cc1
NC1(Cc2ccc(Cl)cc2Cl)CCN(CC1)c1ncnc2[nH]ccc12
[H][C@]1(Cc2ccc(cc2)-c2cn[nH]c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
[H][C@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
[H][C@@]1(Cc2ccc(cc2)-c2ccnc(N)c2)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
[H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(Cl)ccc2N(C)C1=O |r|
[H][C@@]1(Cc2ccc(cc2)-c2ccnc3[nH]ccc23)NC(=O)c2cc(OC)ccc2N(C)C1=O |r|
CC(C)NC(=O)CNc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CCCC(=O)Oc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(CN1CCOCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CCCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COCCN(C)CC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CC(C)NC(=O)COc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Oc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CC(C)(C)C(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CNCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COCCNC(=O)COc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(COc1ccccc1-c1nc(N(CC(=O)NCC2CC2)c2ccc3[nH]ncc3c2)c2ccccc2n1)NCC1CC1
O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccoc1
O=C(COc1ccccc1-c1nc(N(CC(=O)NCc2ccccc2)c2ccc3[nH]ncc3c2)c2ccccc2n1)NCc1ccccc1
O=C(CN1CCCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(COc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)NCc1ccccc1
COCCNC(=O)COc1ccccc1-c1nc(N(CC(=O)NCCOC)c2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)C1CCCNC1
COC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)N1CCOCC1
CN(C)C(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccncc1
O=C(Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)c1ccccn1
CN(C)CCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COCC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CC(=O)Oc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCCC3)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCC3CC3)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3=O)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCC(O)C3)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCCC3=O)c(OC)cc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCOC)c(OC)cc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CCN(C)CC3)c(OC)cc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN3CC[C@@H](C3)N(C)C)c(OC)cc2n1 |r|
CCCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3n(ncc3c2)C(=O)OC(C)(C)C)c2cc(OCCOC)c(OC)cc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3n(C)ncc3c2)c2cc(OCCN(C)C)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OC)c(OCCOC)cc2n1
C(CN1CCOCC1)Oc1ccc2nc(nc(Nc3ccc4[nH]ncc4c3)c2c1)-c1ccccc1
Oc1ccc2nc(nc(Nc3ccc4[nH]ncc4c3)c2c1)-c1ccccc1
CC(=O)Oc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COCCNC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C(COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1)Nc1cccnc1
NC(=O)COc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COc1cc2nc(nc(Nc3ccc4[nH]ncc4c3)c2cc1OCCN1CCCC1)-c1cccc(NC(=O)CN2CCOCC2)c1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCCN3CCOCC3)c(OC)cc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc(OCCN(C)C)ccc2n1
CCCC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccc(OCCOC)cc2n1
CN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(cc4)C#N)c3)sc2C1
COc1ccc(cc1Cl)C(=O)N[C@H](C1CC1)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CCCC[C@@H](NC(=O)Nc1cccc(c1)C#N)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)N3CCC[C@@H]3C(=O)Nc3ccc(cc3)C#N)sc2C1 |r|
CCCC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(cc4)C#N)c3)sc2C1 |r|
CC[C@@H](NC(=O)Nc1cccc(c1)C#N)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
N[C@H]1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(cc4)C#N)c3)sc2C1 |r|
CC[C@@H](NC(=O)Nc1ccc(cc1)C#N)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
O=C(COc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)Nc1ccc(cc1)C#N |r|
CC[C@@H](NC(=O)c1ccc(OC)c(Cl)c1)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CNC[C@@H]3C(=O)Nc3ccc(cc3)C#N)sc2C1 |r|
O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 |r|
O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1ccc(CCN2CCCC2)cc1 |r|
C[C@@H](Oc1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1)C(=O)Nc1ccc(cc1)C#N |r|
N[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C#N)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)N3CCC[C@@H]3C(=O)Nc3cccc(c3)C#N)sc2C1 |r|
N[C@@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C#N)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3sc(nc3C)-c3ccncc3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3ccncc3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)sc2C1 |r|
CCCN[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C#N)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3nnn(c3C)-c3nonc3N)sc2C1 |r|
CCCN[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@@H](C)NC(=O)c3ccc(OC)c(OC)c3)sc2C1 |r|
COc1ccc(cc1OC)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CCCN[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@@H](C)NC(=O)c3ccc(OC)c(Cl)c3)sc2C1 |r|
COc1ccc(cc1C)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CCCN[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@@H](C)NC(=O)c3ccc(OC)c(C)c3)sc2C1 |r|
COc1ccc(cc1Cl)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3ccc(cc3)C#N)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc4cc(O)ccc4c3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)N3CCc4c3cccc4C#N)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3ccc(cc3)C(N)=O)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C(N)=O)sc2C1 |r|
O=C(Nc1cccc(c1)C#N)N1CCCC1c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3sc(nc3C)-c3ccncc3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3nnn(-c4nonc4N)c3-c3ccccc3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-n3nnnc3C)sc2C1 |r|
O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1ccc2CCNCc2c1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3csc(n3)-c3cccnc3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)C3CCCN3C(=O)Nc3cccc(c3)C#N)sc2C1
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cccc(c3)-c3cccnc3)sc2C1 |r|
O=C(Nc1cccc(c1)C#N)N1CCCC1c1cccc(c1)C(=O)Nc1nc2CCN(Cc3ccccc3)Cc2s1
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3csc(n3)-c3ccncc3)sc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)C3CCCN3C(=O)Nc3cccc(c3)C#N)cc2C1
CN1CCc2nc(NC(=O)c3cccc(c3)C3CCCN3C(=O)Nc3ccc(cc3)C#N)sc2C1
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-n3ccnc3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3cnco3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cn4cc(ccc4n3)C(N)=O)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)C3CCCN3C(=O)Nc3ccc(cc3)C(N)=O)sc2C1
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cccc(c3)-c3cn[nH]c3)sc2C1 |r|
C[C@@H](NC(=O)Nc1cccc(c1)C#N)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
C[C@H](NC(=O)Nc1ccc(cc1)C#N)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc4[nH]c(=O)ccc4c3)sc2C1 |r|
C[C@@H](NC(=O)Nc1ccc(cc1)C#N)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3cc[nH]n3)sc2C1 |r|
COc1ccc(cc1Cl)C(=O)N[C@H](C)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
COc1ccc(cc1C)C(=O)N[C@H](C)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
COc1ccc(cc1OC)C(=O)N[C@H](C)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-n3ccnc3)sc2C1 |r|
O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CCN(Cc3ccccc3)Cc2s1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc4[nH]c(=O)ccc4c3)sc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C#N)cc2C1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)N1CCc2c1cccc2C#N |r|
CN1CCc2nc(NC(=O)c3cccc(c3)C3CCCCN3C(=O)Nc3cccc(c3)C#N)sc2C1
COc1ccc(cc1OC)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
COc1ccc(cc1Cl)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)C3CCCN(C3)C(=O)Nc3cccc(c3)C#N)sc2C1
COc1ccc(cc1C)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)C3CCCCN3C(=O)Nc3ccc(cc3)C#N)sc2C1
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(cc1)-c1cnco1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1csc(n1)-c1ccncc1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(cc1)-n1ccnc1 |r|
NC(=O)c1ccc2nc(cn2c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)ccc2c1 |r|
Cc1nc(sc1C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)-c1ccncc1 |r|
Oc1ccc2cc(ccc2c1)C(=O)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1ccc(cc1)-c1ccncc1 |r|
Nc1nonc1-n1nnc(C(=O)N2CCC[C@@H]2c2cccc(c2)C(=O)Nc2nc3CC[C@@H](Cc3s2)N2CCOCC2)c1-c1ccccc1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1csc(n1)-c1cccnc1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1cccc(c1)-c1cn[nH]c1 |r|
COc1ccc(cc1OC)C(=O)N[C@H](C)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
O=C(Nc1ccc(cc1)C#N)OCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)NCCC#N |r|
COc1ccc(cc1Cl)C(=O)N[C@H](C)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
COc1ccc(cc1C)C(=O)N[C@H](C)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
FC(F)(F)CCN[C@H]1CCc2nc(NC(=O)c3cccc(COC(=O)Nc4ccc(cc4)C#N)c3)sc2C1 |r|
C[C@@H](NC(=O)Nc1cccc(c1)C#N)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cn4ccc(cc4n3)C#N)sc2C1 |r|
C[C@@H](NC(=O)Nc1ccc(cc1)C#N)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cn4cc(ccc4n3)C#N)sc2C1 |r|
O=C(COc1cccc(c1)C(=O)Nc1nc2CCC(Cc2s1)N1CCN(CC1)C1CC1)Nc1ccc(cc1)C#N
C[C@@H](NC(=O)Nc1ccc(cc1)C(N)=O)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
CN1CCN(CC1)C1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(cc4)C#N)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H](NC(=O)Nc3cccc(c3)C#N)C3CC3)sc2C1 |r|
COCCN(C)C1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc(cc4)C#N)c3)sc2C1
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H](NC(=O)Nc3ccc(cc3)C#N)C3CC3)sc2C1 |r|
CN1CCc2nc(NC(=O)c3cccc(OCC(=O)Nc4ccc5[nH]ncc5c4)c3)sc2C1
CN(C)[C@H]1CCc2c(sc(n2)NC(=O)c3cccc(c3)[C@H]4CCCN4C(=O)Nc5cccc(c5)C#N)C1
O=C(Nc1cccc(c1)C#N)N1CCC[C@@H]1c1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 |r|
CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cc([nH]n3)-c3ccncc3)sc2C1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1cn2ccc(cc2n1)C#N |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3ccncc3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3cnco3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3csc(n3)-c3cccnc3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3csc(n3)-c3ccncc3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cc([nH]n3)-c3ccncc3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc4cc(O)ccc4c3)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cn4cc(ccc4n3)C(N)=O)sc2C1 |r|
CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3cccc(c3)-c3cn[nH]c3)sc2C1 |r|
O=C(Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)[C@H]1CCCN1C(=O)c1cc([nH]n1)-c1ccncc1 |r|
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccc(cc1)N1CCCCC1
O=C(Oc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1CCC(C1)c1ccccc1
O=C(NCc1ccccc1)Nc1nc(cs1)-c1ccncc1
O=C(NCCc1ccccc1)Nc1nc(cs1)-c1ccncc1
CN(Cc1ccccc1)C(=O)Nc1nc(cs1)-c1ccncc1
COc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
COc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
COc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COc1cccc(CNC(=O)N(C)c2nc(cs2)-c2ccncc2)c1
COc1cccc(CN(C)C(=O)Nc2nc(cs2)-c2ccncc2)c1
Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Nc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
O=C(NCc1cccc2[nH]ccc12)Nc1nc(cs1)-c1ccncc1
CNc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
NC(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CC(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CS(=O)(=O)Nc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Oc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Oc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COCCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CCCOc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
CC(C)Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
FC(F)Oc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Fc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Fc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Fc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Clc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Clc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Clc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
Cc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
Cc1ccccc1CNC(=O)Nc1nc(cs1)-c1ccncc1
Cc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1
COc1cccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1OC
COc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)cc1OC
Clc1ccc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c(Cl)c1
Fc1cc(F)cc(CNC(=O)Nc2nc(cs2)-c2ccncc2)c1
O=C(NCc1cccc2ccccc12)Nc1nc(cs1)-c1ccncc1
O=C(NCc1ccco1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1cccnc1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1ccccn1)Nc1nc(cs1)-c1ccncc1
O=C(NCc1ccncc1)Nc1nc(cs1)-c1ccncc1
C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
C[C@@H](N(C)C(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
C[C@H](N(C)C(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
OC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
OCC(NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1
OC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
CC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
CC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
NC(=O)[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
NC(=O)[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
COC[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
COC[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1 |r|
CC(C)(NC(=O)Nc1nc(cs1)-c1ccncc1)c1ccccc1
O=C(NC(c1ccccc1)c1ccccc1)Nc1nc(cs1)-c1ccncc1
COc1cccc(c1)[C@@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
COc1cccc(c1)[C@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
COc1ccc(cc1)[C@@H](C)NC(=O)Nc1nc(cs1)-c1ccncc1 |r|
C[C@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1 |r|
C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1 |r|
CC(NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(F)c1
C[C@@H](NC(=O)Nc1nc(cs1)-c1ccncc1)c1cccc(Cl)c1 |r|
Clc1ccccc1NC(=O)Nc1nc(cs1)-c1ccncc1
O=C(N[C@@H]1CCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(N[C@H]1CCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(N[C@@H]1CCCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(N[C@H]1CCCc2ccccc12)Nc1nc(cs1)-c1ccncc1 |r|
O=C(Nc1nc(cs1)-c1ccncc1)N1CCc2ccccc2C1
O=C(Nc1nc(cs1)-c1ccncc1)N1CCN(CC1)c1ccncc1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
O=C(Nc1ccc(cc1)-c1cncc2ccccc12)N1Cc2ccccc2C1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12)N1Cc2ccccc2C1
Fc1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCOCC3)cc2C1
COc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)CC1
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(cc2C1)C#N
Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
O=C(Nc1ccc(cc1)C1=NNC(=O)Cc2ccccc12)N1Cc2ccccc2C1 |t:10|
O=C(Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1
FC(F)(F)c1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccccc3C2)cc1
CN(C)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
CCN(CC)Cc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1c[nH]c(=O)c2ccccc12
CN1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2c[nH]c(=O)c3ccccc23)CC1
FC(F)(F)c1cccc2c1c(n[nH]c2=O)-c1ccc(NC(=O)N2Cc3ccc(CN4CCCC4)cc3C2)cc1
CN1CCC(CC1)Oc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
F[C@@H]1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1
F[C@H]1CCN(Cc2ccc3CN(Cc3c2)C(=O)Nc2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCC3)cc2C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2cccn12)N1Cc2ccc(CN3CCCC3)cc2C1
O=C(Nc1ccc(cc1)-c1cccc2C(=O)NCc12)N1Cc2ccccc2C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2ccncc2C1
O=C(Nc1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)N1Cc2cccnc2C1
O=C(NC1CCC(=CC1)c1c[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1 |c:6|
O=C(NC1CCC(=CC1)c1n[nH]c(=O)c2ccccc12)N1Cc2ccccc2C1 |c:6|
O=C(NC1CCC(=CC1)c1n[nH]c(=O)c2ccccc12)N1Cc2ccc(CN3CCCC3)cc2C1 |c:6|
Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1
COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC1(CC1)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(O)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1csc(n1)-c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN1CCOCC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(COC(=O)NC(C)(C)C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN1CCN(C)CC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN1CCCC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccn1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1nc2ccccc2s1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)-c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccnc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1
COc1ccccc1CNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1OC(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(OC(F)(F)F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(Cl)c1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)(C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(Cl)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1S(=O)(=O)CC(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc2OCOc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](C)[C@H](O)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](C)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Br)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(OCC(C)C)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1SCC(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Oc2ccccc2)cc1Cl
COc1ccc(F)c(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)c(OC)c1F
COc1ccc(F)c(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)cc(F)c1
COc1cc(ccc1C(=O)NCc1ccccc1Cl)-c1cn[nH]c1
COc1cccc(CNC(=O)c2ccc(cc2OC)-c2cn[nH]c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1cn[nH]c1
COc1cccc(CNC(=O)c2ccc(-c3c[nH]nc3C)c(OC)c2)c1
COc1cc(ccc1-c1c[nH]nc1C)C(=O)NCc1ccccc1Cl
COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
COc1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1C)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1S(C)(=O)=O)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1F)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(O)=O
CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)N1CCCC1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1cc(F)cc(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H]1C[C@H]1c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)ccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N(C)CCc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N(C)Cc1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc2ccccc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)c(F)c(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(Cl)ccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc2nc(N)sc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(OC(F)F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)c(F)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)ccc(C)c1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1cccc(CN2CCN(C)CC2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)ccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1(C)CC1
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(CN(C)C)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc2[nH]ncc12
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)N1CCCC1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)ccc(F)c1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cc(F)cc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CCO)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cc(F)cc(F)c1F
COC(=O)C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(NS(C)(=O)=O)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)N(C)C
COc1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)ccc(F)c1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(Cl)cc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)N(C)C(C)=O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccc2OCCOc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC1=CCC2NC(=O)NC2=C1 |c:28,t:19|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(Cl)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc2sccc2c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc2OCCc2c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1 |r|
COC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1Cl)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)Cc1ccc(F)cc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 |r|
COC[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)[C@@H](O)c1ccccc1 |r|
COc1cccc(CCNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
COc1cccc(c1)C1(CC1)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@H](C)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(C#N)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1cccc(c1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1ccc(cc1)C(F)(F)F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(O)c1ccccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@@H](O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCCc1cccc(O)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(N1CCCC1)c1ccccc1
COc1ccccc1CCNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@@H](O)c1cccc(Cl)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)Cc1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@@H](C)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC[C@H](O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(O)c1cccc(Cl)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCC(N1CCNCC1)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](CO)Cc1ccccc1 |r|
COC(=O)c1cc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)ccc1F
COc1cccc(n1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)(F)F |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(Cn2ccnn2)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C#N
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(cc1)C#N
COc1cccc(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C
COc1ccc(F)c(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)cc1Cl
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccc(F)cc1 |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1Cl
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2c(C)n[nH]c2C)c(C)c1 |r,wD:8.9,(8.11,-3.96,;7.34,-2.62,;5.8,-2.62,;5.03,-3.96,;3.49,-3.96,;2.72,-2.62,;3.49,-1.29,;5.03,-1.29,;2.72,.04,;3.49,1.38,;1.18,.04,;.41,1.38,;1.18,2.71,;-1.13,1.38,;-1.9,2.71,;-3.44,2.71,;-4.21,1.38,;-5.75,1.38,;-6.65,.13,;-5.88,-1.2,;-8.11,.61,;-8.11,2.15,;-6.65,2.62,;-5.88,3.96,;-3.44,.04,;-4.21,-1.29,;-1.9,.04,)|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OCC(C)(C)O)c1)c1ccccc1 |r|
COC(=O)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1 |r|
COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1cccc(O)n1
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccccc1 |r|
COc1cccc(CNC(=O)c2ccc(cc2CO)-c2cn[nH]c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CO)c1ccccc1F
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccc(F)cc1 |r|
CC(NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1cccc(O)n1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CCN(C)C)c1ccccc1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C=C)c1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CO)c1c(F)cccc1F
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](C)c1cccc2ccccc12 |r|
COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(c1ccccc1F)C(C)(C)O
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C(O)CO)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](CO)c1c(F)cccc1F |r|
CCc1ccccc1CNC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(O)c1)c1ccc(F)cc1 |r|
COc1cc(ccc1C(=O)NCc1c(F)cccc1Cl)-c1c[nH]nc1C
COc1cc(ccc1C(=O)NCc1c(F)cccc1Cl)-c1cn[nH]c1
C[C@@H](NC(=O)c1cc(F)c(cc1F)-c1cn[nH]c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(Cc1ccccc1)C(C)=O
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)S(C)(=O)=O)c1ccccc1 |r|
COc1cc(ccc1C(=O)NCc1c(F)cccc1Cl)-c1c[nH]nc1C(F)(F)F
COc1cc(-c2cn[nH]c2)c(F)cc1C(=O)N[C@H](C)c1ccccc1 |r|
CCOc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
CCOc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1ccccc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccc(F)cc1 |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1ccccc1 |r|
CCOc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1c(F)cccc1F |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N)c1c(F)cccc1F |r|
COc1c(F)c(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(Cl)c1)c1c(F)cccc1F |r|
COc1cc(ccc1C(=O)N[C@H](CO)c1c(F)cccc1F)-c1cn[nH]c1 |r|
OC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)(F)F)c1c(F)cccc1F |r|
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(cc1OC)-c1cn[nH]c1
COc1cc(ccc1C(=O)N[C@H](CO)Cc1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NC(CO)c1ccccc1F)-c1cn[nH]c1
COc1cc(ccc1C(=O)N[C@H](C)c1ccc(F)cc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NCc1c(F)cccc1F)-c1cn[nH]c1
COc1cc(ccc1C(=O)NC(CCN(C)C)c1ccccc1)-c1cn[nH]c1
COc1cc(ccc1C(=O)N[C@H](CCO)c1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NCc1ccc(F)cc1Cl)-c1cn[nH]c1
OCCc1cc(ccc1C(=O)NCc1ccccc1)-c1cn[nH]c1
COc1cc(ccc1C(=O)NC(c1ccccc1F)C(C)(C)O)-c1cn[nH]c1
COc1cccc(CNC(=O)c2ccc(cc2N)-c2cn[nH]c2)c1
COc1cc(ccc1C(=O)N[C@H](CO)[C@H](O)c1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CO |r|
COc1cc(ccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CO)-c1cn[nH]c1 |r|
Nc1cc(ccc1C(=O)NCCCc1ccccc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1Cl
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC1(CCC1)c1ccccc1
COc1cc(ccc1C(=O)NC(C)c1c(F)cccc1Cl)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H]([C@H](O)CO)c1ccccc1 |r|
COc1cc(ccc1C(=O)N[C@H]([C@H](O)CO)c1ccccc1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)NC(C)c1c(F)cccc1F)-c1cn[nH]c1
COc1cc(ccc1C(=O)NCc1cccc(c1)S(N)(=O)=O)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)S(N)(=O)=O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NC(CN)Cc1ccccc1
COc1cc(ccc1C(=O)NC(CN)Cc1ccccc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC(C)(C)O
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)N(C)C
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(O)=O
CCNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(C)c2)c1
CCN1CCCC1CNC(=O)c1cccc(CNC(=O)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccc(F)c(c1)C(O)=O
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NCC1CC1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CC1
Cc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC[C@H]1CCCN1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCNCc2s1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1
COc1cc(ccc1C(=O)NCc1cccc(c1)C(=O)NC1CCN(C)CC1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(N)=O
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CC(O)=O)c1ccccc1 |r|
CNC(=O)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CC(=O)NCC(C)(C)O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r|
CC(=O)NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
Cc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r|
CC(C)(O)COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CN)c1ccccc1 |r|
NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OCCO)c1)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNC(C)=O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNS(C)(=O)=O)c1ccccc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNS(=O)(=O)C1CC1)c1ccccc1 |r|
CCS(=O)(=O)NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 |r|
CN(C)C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C)c1)c1ccccc1 |r|
CC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F |r|
CCNC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CNC1CC1)c1c(F)cccc1F |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)NCc1ccccc1C(C)C
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r,w:1.0|
C[C@H](O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
C[C@@H](O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(CO)c1)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(CO)c1)c1ccccc1 |r|
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1 |r|
COC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)O)c1ccccc1 |r|
CC(NC(=O)c1ccc(-c2cn[nH]c2)c(C=O)c1)c1ccccc1F
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1F
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1F |r|
CCC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1ccccc1
CCC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1 |r|
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NC(C)c1c(F)cccc1F
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)NCc1c(F)cccc1Cl
CC(O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1c(F)cccc1F |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)=O)c1ccccc1 |r|
COC(=O)c1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)N(C)C)c1ccc(F)cc1 |r|
CNc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccc(F)cc1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N(Cc1ccccc1F)CC(C)(C)O
CC(NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)F)c1ccccc1F
C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)F)c1ccccc1F |r|
C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(F)F)c1ccccc1F |r|
COC(=O)c1n[nH]cc1-c1ccc(C(=O)N[C@H](C)c2cccc(OC)c2)c(OC)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C#N |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c(C)n[nH]c1C |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1CO |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OC)-c1c[nH]nc1C(C)O |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
C[C@@H](NC(=O)c1cc(F)c(cc1OCCN(C)C)-c1c[nH]nc1C)c1ccccc1 |r|
C[C@H](NC(=O)c1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1)c1ccccc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OCCN(C)C)-c1c[nH]nc1C |r|
COc1cc(cc(F)c1C(=O)N[C@H](C)c1ccccc1)-c1cn[nH]c1 |r|
CCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(OC)c1)-c1cn[nH]c1 |r|
COCCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(OC)c1)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1OCCO)-c1cn[nH]c1 |r|
COc1ccc(F)c(c1)C(C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C(C)O
OC[C@@H](NC(=O)c1cc([nH]n1)-c1ccncc1)c1cccc(F)c1 |r|
COc1cccc(CNC(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CN(C)C(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CN(CCO)C(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CN(CCN(C)C)C(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(CNC(=O)Nc2cnn(c2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3s2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2cc([nH]n2)-c2ccncc2)c1F
COc1ccc(F)c(CNC(=O)Nc2cc([nH]n2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](C)NC(=O)Nc1cc(n[nH]1)-c1ccncc1 |r|
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
CC(C)c1cc(C(C)C)c(-c2cccc(c2)P(C2CCCCC2)C2CCCCC2)c(c1)C(C)C
O=c1n(Cc2ccccc2)ncn1-c1ccc(cc1)-c1cn[nH]c1
COc1cccc(Cn2ncn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
Fc1ccc(F)c(Cn2ncn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1cnn(Cc2ccccc2)c1=O
COc1cccc(Cn2ncn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1cnn(Cc2cccc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1cnn(C(C)c2ccccc2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1cnn(CCc2ccccc2)c1=O
COc1cc(ccc1-n1cnn(Cc2ccccc2)c1=O)-c1cn[nH]c1
COc1cccc(Cn2ncn(-c3ccc(cc3OC)-c3cn[nH]c3)c2=O)c1
COc1cc(ccc1-n1cnn(Cc2cccc(F)c2)c1=O)-c1cn[nH]c1
COc1cc(ccc1-n1cnn(Cc2cc(F)ccc2F)c1=O)-c1cn[nH]c1
COc1cc(ccc1-n1cnn(CCc2ccccc2)c1=O)-c1cn[nH]c1
CC(c1ccccc1)n1ncn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
O=c1n(Cc2ccccc2)cnn1-c1ccc(cc1)-c1cn[nH]c1
COc1cccc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
Fc1cccc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
Fc1ccc(F)c(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
CC(c1ccccc1)n1cnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccccc2)c1=O
COc1cccc(Cn2cnn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cc(F)ccc2F)c1=O
COc1cc(F)cc(Cn2cnn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(C(C)c2ccccc2)c1=O
Fc1ccccc1Cn1cnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
Clc1ccccc1Cn1cnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccccc2F)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccccc2Cl)c1=O
Fc1cccc(F)c1Cn1cnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
O=c1n(Cc2cccc(c2)C#N)cnn1-c1ccc(cc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(c2)C#N)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cc(F)cc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(OC(F)F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccc(F)cc2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2c(F)cccc2F)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cc(F)cc(OC)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(c2)C#N)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccccc2F)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccc(F)cc2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cc(F)cc(F)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(OC)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(OC(F)F)c2)c1=O
COc1cccc(c1)C(C)n1cnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1cc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)cc(OC)c1
COc1cc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)ccc1F
COc1cccc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1F
COc1ccc(F)cc1Cn1cnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1ccc(Cn2cnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)cc1F
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2ccccc2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2cccc(F)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(Cc2c(F)cccc2F)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1ncn(C(C)c2ccccc2)c1=O
Cc1nn(Cc2ccccc2)c(=O)n1-c1ccc(cc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)-n1c(C)nn(Cc2ccccc2)c1=O
COc1cccc(Cn2nc(C)n(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1c(C)nn(C(C)c2ccccc2)c1=O
COc1cc(ccc1-n1c(C)nn(Cc2ccccc2)c1=O)-c1cn[nH]c1 |(-2.01,-3.29,;-1.24,-1.96,;-2.01,-.62,;-3.55,-.62,;-4.32,.71,;-3.55,2.04,;-2.01,2.04,;-1.24,.71,;.3,.71,;1.21,-.54,;.44,-1.87,;2.67,-.06,;2.67,1.48,;3.76,2.57,;5.25,2.17,;5.65,.68,;7.14,.29,;8.23,1.37,;7.83,2.86,;6.34,3.26,;1.21,1.96,;.44,3.29,;-5.86,.71,;-6.76,-.54,;-8.23,-.06,;-8.23,1.48,;-6.76,1.96,)|
COc1cccc(Cn2nc(C)n(-c3ccc(cc3OC)-c3cn[nH]c3)c2=O)c1 |(8.17,4.36,;8.57,2.88,;7.48,1.79,;7.88,.3,;6.79,-.79,;5.3,-.39,;4.91,1.1,;3.42,1.5,;2.33,.41,;2.33,-1.13,;.86,-1.61,;.09,-2.94,;-.04,-.36,;-1.58,-.36,;-2.35,.97,;-3.89,.97,;-4.66,-.36,;-3.89,-1.7,;-2.35,-1.7,;-1.58,-3.03,;-2.35,-4.36,;-6.2,-.36,;-7.11,-1.61,;-8.57,-1.13,;-8.57,.41,;-7.11,.88,;.86,.88,;.09,2.22,;5.99,2.19,)|
COc1cc(ccc1-c1cn[nH]c1)-n1c(C)nn(Cc2cccc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1c(C)nn(CCc2ccccc2)c1=O
Cc1nn(CCc2ccccc2)c(=O)n1-c1ccc(cc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)-n1c(C)nn(Cc2cc(F)ccc2F)c1=O
COc1cccc(Cn2nc(C)n(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
Cc1nn(Cc2cccc(F)c2)c(=O)n1-c1ccc(cc1)-c1cn[nH]c1
Cc1nn(Cc2cc(F)ccc2F)c(=O)n1-c1ccc(cc1)-c1cn[nH]c1
COc1cc(F)cc(Cn2nc(C)n(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
CC(c1ccccc1)n1nc(C)n(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1cc(ccc1-n1c(C)nn(Cc2cccc(F)c2)c1=O)-c1cn[nH]c1 |(-2.41,-3.65,;-1.64,-2.32,;-2.41,-.99,;-3.95,-.99,;-4.72,.35,;-3.95,1.68,;-2.41,1.68,;-1.64,.35,;-.1,.35,;.8,-.9,;.03,-2.23,;2.26,-.42,;2.26,1.12,;3.37,2.22,;4.88,1.82,;5.29,.31,;6.8,-.1,;7.9,1.01,;7.5,2.52,;8.63,3.65,;5.99,2.92,;.8,1.59,;.03,2.93,;-6.26,.35,;-7.17,-.9,;-8.63,-.42,;-8.63,1.12,;-7.17,1.59,)|
COc1cc(ccc1-n1c(C)nn(C(C)c2ccccc2)c1=O)-c1cn[nH]c1 |(-2.01,-3.67,;-1.24,-2.34,;-2.01,-1.01,;-3.55,-1.01,;-4.32,.33,;-3.55,1.66,;-2.01,1.66,;-1.24,.33,;.3,.33,;1.21,-.92,;.44,-2.25,;2.67,-.44,;2.67,1.1,;3.76,2.19,;3.36,3.67,;5.25,1.79,;5.65,.3,;7.14,-.1,;8.23,.99,;7.83,2.48,;6.34,2.88,;1.21,1.57,;.44,2.91,;-5.86,.33,;-6.76,-.92,;-8.23,-.44,;-8.23,1.1,;-6.76,1.57,)|
COc1cc(F)cc(Cn2nc(C)n(-c3ccc(cc3OC)-c3cn[nH]c3)c2=O)c1 |(8.62,-1.93,;7.14,-1.53,;6.74,-.04,;7.83,1.04,;7.43,2.53,;8.52,3.62,;5.94,2.93,;4.85,1.84,;3.36,2.24,;2.28,1.15,;2.28,-.39,;.81,-.87,;.04,-2.2,;-.09,.38,;-1.63,.38,;-2.4,1.71,;-3.94,1.71,;-4.71,.38,;-3.94,-.95,;-2.4,-.95,;-1.63,-2.29,;-2.4,-3.62,;-6.25,.38,;-7.16,-.87,;-8.62,-.39,;-8.62,1.15,;-7.16,1.63,;.81,1.63,;.04,2.96,;5.25,.35,)|
COc1cc(ccc1-n1c(C)nn(CCc2ccccc2)c1=O)-c1cn[nH]c1 |(-2.35,-4.56,;-1.58,-3.23,;-2.35,-1.9,;-3.89,-1.9,;-4.66,-.56,;-3.89,.77,;-2.35,.77,;-1.58,-.56,;-.04,-.56,;.86,-1.81,;.09,-3.14,;2.33,-1.33,;2.33,.21,;3.42,1.3,;4.91,.9,;5.99,1.99,;7.48,1.59,;8.57,2.68,;8.17,4.16,;6.68,4.56,;5.6,3.47,;.86,.68,;.09,2.02,;-6.2,-.56,;-7.11,-1.81,;-8.57,-1.33,;-8.57,.21,;-7.11,.68,)|
COc1cc(ccc1-n1c(C)nn(Cc2cc(F)ccc2F)c1=O)-c1cn[nH]c1 |(-2.4,-3.64,;-1.63,-2.31,;-2.4,-.97,;-3.94,-.97,;-4.71,.36,;-3.94,1.69,;-2.4,1.69,;-1.63,.36,;-.09,.36,;.81,-.88,;.04,-2.22,;2.28,-.41,;2.28,1.13,;3.39,2.24,;4.9,1.83,;6,2.94,;7.51,2.53,;8.62,3.64,;7.92,1.02,;6.81,-.08,;5.3,.32,;4.19,-.78,;.81,1.61,;.04,2.94,;-6.25,.36,;-7.15,-.88,;-8.62,-.41,;-8.62,1.13,;-7.15,1.61,)|
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1ccccc1
COc1cccc(Cn2c(C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(F)c1
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cc(F)ccc1F
COc1cc(F)cc(Cn2c(C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
CC(c1ccccc1)n1c(C)nn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1CCc1ccccc1
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1ccccc1Cl
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1ccccc1F
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2ccccc2)c1=O
COc1cccc(Cn2c(C)nn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cc(F)ccc2F)c1=O
COc1cc(F)cc(Cn2c(C)nn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(C(C)c2ccccc2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(CCc2ccccc2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2ccccc2F)c1=O
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cc(F)cc(F)c1
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(c2)C#N)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2c(F)cccc2F)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cc(F)cc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(OC(F)F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2ccc(F)cc2)c1=O
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(OC(F)F)c1
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(c1)C#N
Cc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1c(F)cccc1F
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(OC)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(F)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cc(F)ccc2F)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cc(F)cc(F)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(C(C)c2ccccc2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(CCc2ccccc2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(c2)C#N)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cccc(OC(F)F)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2ccccc2F)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2ccc(F)cc2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2cc(F)cc(OC)c2)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2c(F)cccc2F)c1=O
CCc1cc(ccc1-c1cn[nH]c1)-n1nc(C)n(Cc2ccccc2)c1=O
COc1cccc(c1)C(C)n1c(C)nn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1cc(Cn2c(C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)cc(OC)c1
COc1cc(Cn2c(C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)ccc1F
COc1cccc(Cn2c(C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1F
COc1ccc(F)cc1Cn1c(C)nn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1ccc(Cn2c(C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)cc1F
COc1cccc(Cn2c(CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
OCc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1ccccc1
COc1cc(Cn2c(CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)cc(OC)c1
OCc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(F)c1
OCc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cc(F)ccc1F
OCc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cc(F)cc(F)c1
OCc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(OC(F)F)c1
OCc1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(c1)C#N
CC(C)(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1ccccc1
COc1cccc(Cn2c(nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)C(C)(C)O)c1
CC(C)(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(F)c1
CC(C)(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cc(F)ccc1F
CC(C)(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cc(F)cc(F)c1
CC(C)(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1c(F)cccc1F
CC(C)(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1cccc(OC(F)F)c1
CC(O)c1nn(-c2ccc(cc2)-c2cn[nH]c2)c(=O)n1Cc1ccccc1
COc1cccc(Cn2c(CN(C)C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cccc(Cn2c(CN3CCOCC3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)C(C)(C)O)c1
COc1cccc(Cn2c(CN3CCCC3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(Cn2c(nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)C(C)O)cc(OC)c1
COc1cc(F)cc(Cn2c(CN(C)C)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CN3CCOCC3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CN3CCCC3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CNCCO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CN3CCNCC3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CNC(C)CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2c(CN3CCC(O)C3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cccc(Cn2c(CN3CCC(O)C3)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1ccc(F)cc1Cn1c(CO)nn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
COc1cc(Cn2c(CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)ccc1F
COc1ccc(Cn2c(CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)cc1F
COc1cccc(Cn2c(CO)nn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1F
COc1cccc(Cn2c(C)nn(-c3ccc(cc3)-c3ccnc(N)c3)c2=O)c1
COc1cccc(Cn2cnn(-c3ccc(cc3)-c3ccnc(N)c3)c2=O)c1
COc1cccc(Cn2cnn(-c3ccc(cc3)-c3ncnc4[nH]ccc34)c2=O)c1
COc1cccc(Cn2c(C)nn(-c3ccc(cc3)-c3ncnc4[nH]ccc34)c2=O)c1
COc1cccc(Cn2c(C)nn(-c3ccc(cc3)-c3ccnc4[nH]ccc34)c2=O)c1
COc1cccc(Cn2c(C)nn(-c3ccc(cc3)-c3ccnc(N)n3)c2=O)c1
COc1cccc(Cn2cnn(-c3ccc(cc3)-c3ccnc4[nH]ccc34)c2=O)c1
COc1cccc(Cn2cnn(-c3ccc(cc3)-c3ccnc(N)n3)c2=O)c1
Fc1cccc(Cn2nnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
Fc1ccc(F)c(Cn2nnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
COc1cc(F)cc(Cn2nnn(-c3ccc(cc3)-c3cn[nH]c3)c2=O)c1
CC(c1ccccc1)n1nnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
Clc1ccccc1Cn1nnn(-c2ccc(cc2)-c2cn[nH]c2)c1=O
O=c1n(Cc2ccccc2)nnn1-c1ccc(cc1)-c1cn[nH]c1
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2ccccc2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2cccc(F)c2)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2cc(F)ccc2F)c1=O
COc1cc(F)cc(Cn2nnn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2ccccc2F)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2c(F)cccc2F)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2cccc(c2)C#N)c1=O
COc1cc(ccc1-c1cn[nH]c1)-n1nnn(Cc2ccc(F)cc2)c1=O
COc1cccc(Cn2nnn(-c3ccc(-c4cn[nH]c4)c(OC)c3)c2=O)c1
CCNC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COCCN(C)CC(=O)Nc1cccc(c1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CNC(=O)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
CN(C)CCC(=C)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
O=C1N(CCC11Cc2ccccc2N1)c1ccc2-c3c[nH]nc3CCc2c1
COc1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4CCc3c2)c1
COc1cccc(N[C@H]2CCN(C2=O)c2ccc3-c4c[nH]nc4CCc3c2)c1 |r|
N[C@H](CCc1ccccc1)C(=O)Nc1ccc2-c3c[nH]nc3CCc2c1 |r|
COc1cccc(CNC(=O)Nc2ccc3-c4c[nH]nc4COc3n2)c1
COc1cccc(c1)[C@@H](C)N1CCN(C1=O)c1ccc2-c3c[nH]nc3CCc2c1 |r|
COc1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4CCc3n2)c1
COc1cccc(N[C@@H]2CCN(C2=O)c2ccc3-c4c[nH]nc4CCc3c2)c1 |r|
COc1cccc(NC2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3c2)c1
COc1cccc(NC2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
COc1cc(F)cc(NC2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
COc1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3c2)c1
COc1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
COc1cc(F)cc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
COc1cccc(CN2CCN(C2=O)c2ccc3-c4c(C)[nH]nc4CCc3c2)c1
Cc1ccc(F)c(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
Fc1cc(F)cc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
Cc1c(F)cccc1CN1CCN(C1=O)c1ccc2-c3c[nH]nc3COc2n1
NC(=O)c1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
Cc1c(F)cccc1NC1CCN(C1=O)c1ccc2-c3c[nH]nc3COc2n1
Fc1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
Cc1cc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)ccc1F
COc1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1F
Cc1cc(F)ccc1CN1CCN(C1=O)c1ccc2-c3c[nH]nc3COc2n1
Fc1ccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)cc1F
Fc1ccc(F)c(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
CC(C)(C)c1cccc(CN2CCN(C2=O)c2ccc3-c4c[nH]nc4COc3n2)c1
O=C1C(CCN1c1ccc2-c3c[nH]nc3COc2n1)Nc1ccc2ncsc2c1
Fc1cccc(F)c1CN1CCN(C1=O)c1ccc2-c3c[nH]nc3COc2n1
O=C1C(CCN1c1ccc2-c3c[nH]nc3COc2n1)Nc1cccc(c1)C#N
O=C1C(CCN1c1ccc2-c3c[nH]nc3COc2n1)Nc1cccc(c1)-c1cnco1
CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)Nc1ccc2cnccc2c1
CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc2cnccc2c1
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc3cnccc3c2)c1
COc1cccc(CN(CCO)C(=O)Nc2ccc3cnccc3c2)c1
COC(=O)c1ccc(CN(CCO)C(=O)Nc2ccc3cnccc3c2)cc1
OC[C@H](NC(=O)Nc1ccc2cnccc2c1)c1ccccc1 |r|
CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc2cnccc2c1
CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc2cnccc2c1
CN(C)CCN(Cc1ccc(Oc2ccc(cc2)C#N)cc1)C(=O)Nc1ccc2cnccc2c1
CC(C)C1CCC(CC1)C(=O)Nc1ccncc1 |(1.33,-2.31,;2.67,-3.08,;4,-2.31,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-9.24,;1.33,-10.01,;4,-10.01,;4,-11.55,;5.33,-12.32,;5.33,-13.86,;4,-14.63,;2.67,-13.86,;2.67,-12.32,)|
CN1CCn2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1
CN1CCc2ccc(NC(=O)c3cccc(c3)C(CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2C1
O=C(COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1)NC1CC1
CN(C)CCNC(=O)COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
CC(C)NC(=O)c1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2C1 |r|
CN1Cc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2C1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)Nc1ccccc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
CNC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCc1ccccc1 |r|
CN(C)Cc1cccc(NC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)c1 |r|
CC(NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(OCC(=O)NC2CC2)c1
CC(NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(OCC(=O)Nc2ccc3CCN(C)Cc3c2)c1
COc1ccc(cc1C)C(=O)N[C@H](CO)c1cccc(c1)C(=O)Nc1nc2CCN(C)Cc2s1 |r|
CN(C)CCc1ccc(NC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCCCC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCOCC1 |r|
CN1CCC(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCC(F)(F)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCCC1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2C1=O |r|
Cn1ccc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3ccncc3)cc2c1=O |r|
CN(C)c1ccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cc1 |r|
CN(C)c1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)c1 |r|
CN(C)Cc1ccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cc1 |r|
CN(C)Cc1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)c1 |r|
COCCOc1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)c1 |r|
CCN(CC)C1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r,wD:20.24,(11.34,5.01,;10,4.24,;10,2.7,;11.34,1.93,;12.67,2.7,;8.67,1.93,;8.67,.39,;7.34,-.38,;6,.39,;6,1.93,;7.34,2.7,;4.67,-.38,;3.33,.39,;3.33,1.93,;2,-.38,;2,-1.92,;.67,-2.69,;-.67,-1.92,;-.67,-.38,;.67,.39,;-2,.39,;-2,1.93,;-.67,2.7,;-3.33,-.38,;-4.67,.39,;-4.67,1.93,;-6,-.38,;-7.34,.39,;-8.67,-.38,;-8.67,-1.92,;-7.34,-2.69,;-6,-1.92,;-10,-2.69,;-11.34,-1.92,;-12.67,-2.69,;-12.67,-4.23,;-11.34,-5.01,;-10,-4.23,)|
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cn3)-c3ccncc3)cc2C1 |r|
CN(C1CC1)C(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCc1ccc(CN(C)C)cc1 |r|
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCC(F)(F)CC1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3cccc(c3)-c3ccncc3)cc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3cccc(c3)-c3ccn[nH]3)cc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3ccn[nH]3)cc2C1 |r|
CN1CCc2ccc(NC(=O)c3cccc(c3)[C@@H](CO)NC(=O)c3ccc(cc3)-c3cccnc3)cc2C1 |r|
CN([C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)C(=O)c1ccc(cc1)-c1ccncc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1cn[nH]c1)c1cccc(c1)C(=O)NC1CCCC1 |r|
CN(C)Cc1ccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cn2)-c2ccncc2)cc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCC1 |r|
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCN(C)CC1 |r|
CN1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
OC[C@@H](NC(=O)c1ccc(cn1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
CN(C)C1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r,wD:18.22,(12,2.31,;10.67,3.08,;10.67,4.62,;9.34,2.31,;9.34,.77,;8,,;6.67,.77,;6.67,2.31,;8,3.08,;5.33,,;4,.77,;4,2.31,;2.67,,;2.67,-1.54,;1.33,-2.31,;,-1.54,;;1.33,.77,;-1.33,.77,;-1.33,2.31,;,3.08,;-2.67,,;-4,.77,;-4,2.31,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.31,;-5.33,-1.54,;-9.34,-2.31,;-10.67,-1.54,;-12,-2.31,;-12,-3.85,;-10.67,-4.62,;-9.34,-3.85,)|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCC(F)(F)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCN(CC1)C1CC1 |r|
CC(C)N1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
CC(C)N1CCC(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
CN1CCC(C)(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCN(CC1)C1CC1 |r|
CCN1CCC(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
CC(C)N1CCC(CNC(=O)c2cccc(c2)[C@@H](C)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
OC[C@@H](NC(=O)c1cc(n[nH]1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
CC(C)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
OC[C@@H](NC(=O)c1cccc(c1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
Cc1ccc(cc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1ccncc1 |r|
COc1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)c1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCC1 |r|
COCC1(CCCC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1ccc(cc1C)C(=O)N[C@H](C)c1cccc(c1)C(=O)NCC1CCN(CC1)C(C)C |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1(O)CCCCC1 |r|
CCc1ccc(cc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1ccncc1 |r|
CC1(CCC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
CN(C)C1(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CCCC1 |r|
COC1(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CCC1 |r|
CN(C)CC1(CCCC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCc1cccc(F)c1 |r|
C[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CC1 |r|
COC(=O)N1CCC(CC1)NC(=O)c1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COC(=O)N1CCC(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCN(CC(F)(F)F)CC1 |r|
COc1ccc(NC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cn1 |r|
COc1cc(ccc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
CN(C)Cc1cccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
OC[C@@H](NC(=O)c1cccc(c1)-c1cn[nH]c1)c1cccc(c1)C(=O)NC1CCCC1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CC1 |r|
COc1ccc(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1F)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
COC1(CNC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)CCCC1 |r|
Cc1cc(ccc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1ccncc1 |r|
OC[C@@H](NC(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NCC1CCCC1 |r|
COc1ccc(NC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2cccnc2)cn1 |r|
OC[C@@H](NC(=O)c1ccc(cc1F)-c1cn[nH]c1)c1cccc(c1)C(=O)NC1CCCC1 |r|
Cc1cc(ccc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
C[C@@H](NC(=O)c1ccc(cc1)-c1cn[nH]c1)c1cccc(c1)C(=O)NC1CCCC1 |r|
C[C@@H](N(CCN(C)C)C(=O)c1ccc(cc1)-c1ccncc1)c1cccc(c1)C(=O)NC1CCCC1 |r|
CCOc1cc(ccc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
CCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
COc1cc(ccc1C(=O)N[C@H](CO)c1cccc(c1)C(=O)NC1CCCC1)-c1ccncc1 |r|
COCCOc1cc(ccc1C(=O)N[C@H](C)c1cccc(c1)C(=O)NC1CCCC1)-c1cn[nH]c1 |r|
COc1cccc(CN2C(=O)N(CC22CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(c1)[C@H](C)N1C(=O)N(CC11CC1)c1ccc(cc1)-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)N1C(=O)N(CC11CC1)c1ccc(cc1)-c1cn[nH]c1 |r|
CCc1cc(ccc1-c1cn[nH]c1)N1CC2(CC2)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1cc(ccc1-c1cn[nH]c1)N1CC2(CC2)N(Cc2cccc(OC)c2)C1=O
COc1cc(CN2C(=O)N(CC22CC2)c2ccc(cc2)-c2cn[nH]c2)ccc1F
O=C1N(Cc2cccc(OCC3CC3)c2)C2(CC2)CN1c1ccc(cc1)-c1cn[nH]c1
COc1cc(F)cc(CN2C(=O)N(CC22CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(F)cc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1N(Cc2cccc(OCC3CC3)c2)C2(CN1c1ccc(cc1)-c1cn[nH]c1)CCOCC2
Fc1ccccc1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
Fc1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1N(Cc2cccc(c2)C#N)C2(CN1c1ccc(cc1)-c1cn[nH]c1)CCOCC2
Clc1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Oc1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Fc1ccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)cc1F
FC(F)(F)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Clc1ccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)cc1Cl
FC(F)(F)Oc1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1N(CC2(CCOCC2)N1Cc1ccc2cccnc2c1)c1ccc(cc1)-c1cn[nH]c1
Fc1ccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c(F)c1
Fc1cccc(F)c1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
Fc1cc(F)cc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Cc1c(F)cccc1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
Cc1cc(F)ccc1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
Cc1ccc(F)cc1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
COc1cc(F)ccc1CN1C(=O)N(CC11CCOCC1)c1ccc(cc1)-c1cn[nH]c1
Fc1c(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)cccc1OC(F)(F)F
O=C1N(CC2CCCCC2)C2(CN1c1ccc(cc1)-c1cn[nH]c1)CCOCC2
CNC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
NC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C(NC1CCC1)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
CC(C)NC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
CC(C)CNC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
OCCNC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C(NCC1CC1)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
FC(F)(F)CNC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
CC1(CC1)NC(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C(NC1CCOC1)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
CCN(C)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
CN(C)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
FC1CN(C1)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O[C@H]1CCN(C1)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
CN(C1CC1)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
CN(C)C1CN(C1)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
OCC1CCN(CC1)C(=O)c1cccc(CN2C(=O)N(CC22CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
Cc1c(F)cccc1CN1C(=O)N(CC11CCN(CC1)C(=O)OC(C)(C)C)c1ccc(cc1)-c1cn[nH]c1
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ccc(-c3cn[nH]c3)c(C)n2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)OC(C)(C)C)N(Cc2cccc(OC)c2)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)OC(C)(C)C)N(Cc2cccc(F)c2C)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(F)cc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)ccc1F
O=C1N(Cc2cccc(OCC3CC3)c2)C2(CN1c1ccc(cc1)-c1cn[nH]c1)CCNCC2
FC(F)Oc1cccc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Oc1cccc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Fc1ccccc1CN1C(=O)N(CC11CCNCC1)c1ccc(cc1)-c1cn[nH]c1
Fc1cccc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1F
Fc1cc(F)cc(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
Fc1ccc(F)c(CN2C(=O)N(CC22CCNCC2)c2ccc(cc2)-c2cn[nH]c2)c1
O=C1N(CC2CCCCC2)C2(CN1c1ccc(cc1)-c1cn[nH]c1)CCNCC2
Cc1cc(F)ccc1CN1C(=O)N(CC11CCNCC1)c1ccc(cc1)-c1cn[nH]c1
O=C1N(CC2(CCNCC2)N1CC1CCOCC1)c1ccc(cc1)-c1cn[nH]c1
COc1cccc(CN2C(=O)N(CC22CCNCC2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCNCC2)c2ccc(-c3cn[nH]c3)c(C)n2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCNCC2)N(Cc2cccc(OC)c2)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(C)=O)c2ccc(Br)cc2)c1
CC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2F)c2ccc(cc2)-c2cn[nH]c2)CC1
CC(=O)N1CCC2(CN(C(=O)N2Cc2cc(F)ccc2F)c2ccc(cc2)-c2cn[nH]c2)CC1
CC(=O)N1CCC2(CN(C(=O)N2CC2CCCCC2)c2ccc(cc2)-c2cn[nH]c2)CC1
CC(=O)N1CCC2(CN(C(=O)N2Cc2ccc(F)cc2C)c2ccc(cc2)-c2cn[nH]c2)CC1
CC(=O)N1CCC2(CN(C(=O)N2Cc2ccc(F)cc2F)c2ccc(cc2)-c2cn[nH]c2)CC1
CC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(cc2)-c2cn[nH]c2)CC1
CC(=O)N1CCC2(CN(C(=O)N2Cc2cc(F)ccc2C)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(C)=O)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(C)=O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(C)=O)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(C)=O)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(C)=O)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(C)=O)N(Cc2cc(F)cc(OC)c2)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(C)=O)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
CNC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(N)=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)N(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
COC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(Br)cc2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OCC(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
CCOC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OCC(C)(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
COCCOC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OC(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
CCCOC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)OCCOCc2ccccc2)c2ccc(cc2)-c2cn[nH]c2)c1
COC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
COC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)OC)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)OC)N(Cc2cccc(OC)c2)C1=O
CCOC(=O)N1CCC2(CN(C(=O)N2Cc2cc(F)cc(OC)c2)c2ccc(-c3cn[nH]c3)c(CC)n2)CC1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)OC)N(Cc2cc(F)cc(OC)c2)C1=O
COC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(cc2)-c2cn[nH]c2)CC1
COC(=O)N1CCC2(CN(C(=O)N2Cc2cc(F)cc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
CCOC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cn2)-c2cn[nH]c2)CC1
COC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ncc(-c3cn[nH]c3)c(OC)n2)CC1
CCOC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ncc(-c3cn[nH]c3)c(OC)n2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(C)CC2)c2ccc(Br)cc2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC3CCOC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC3CC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
CCCN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CCC(C)C)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC3CCCC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(O)CO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
CCN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
CCC(CC)CN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)C)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CCc3ccccc3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCC(F)(F)F)CC2)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCC(F)(F)F)CC2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCC(F)(F)F)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(F)F)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(F)F)CC2)N(Cc2cccc(F)c2C)C1=O
Cc1c(F)cccc1CN1C(=O)N(CC11CCN(CC(F)F)CC1)c1ccc(cc1)-c1cn[nH]c1
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC(F)F)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(F)F)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CCC(F)(F)F)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(F)F)CC2)N(Cc2cccc(F)c2C)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ccc(Br)cc2)c1
COc1cccc(CN2C(=O)N(CC22CCN(C[C@@H](C)O)CC2)c2ccc(Br)cc2)c1 |r|
COc1cccc(CN2C(=O)N(CC22CCN(C[C@H](C)O)CC2)c2ccc(Br)cc2)c1 |r|
COc1cccc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COCCN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
Cc1c(F)cccc1CN1C(=O)N(CC11CCN(CCO)CC1)c1ccc(cc1)-c1cn[nH]c1
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CC[N+]([O-])(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1 |(8.41,4.48,;8.79,2.99,;7.69,1.91,;8,.38,;6.91,-.7,;5.43,-.31,;5.03,1.18,;3.54,1.58,;2.21,.81,;.74,1.29,;-.03,2.62,;-.16,.04,;.74,-1.21,;2.21,-.73,;1.81,-2.22,;2.9,-3.31,;4.38,-2.91,;4.38,-4.45,;5.72,-3.68,;7.05,-2.91,;8.39,-3.68,;4.78,-1.42,;3.69,-.33,;-1.7,.04,;-2.47,-1.29,;-4.01,-1.29,;-4.78,.04,;-4.01,1.37,;-2.47,1.37,;-6.32,.04,;-7.23,-1.21,;-8.69,-.73,;-8.69,.81,;-7.23,1.29,;6.12,2.27,)|
COc1cccc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)O)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCO)CC2)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCO)CC2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)(C)O)CC2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CCO)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)(C)O)CC2)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cccc(F)c2C)C1=O
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC(C)O)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)O)CC2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ccc(cn2)-c2cn[nH]c2)c1
COCCN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cn2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COCCN1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)O)CC2)N(Cc2cccc(F)c2C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC(C)(C)O)CC2)N(Cc2cccc(F)c2C)C1=O
CNC(=O)CN1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC(N)=O)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC(=O)N(C)C)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCC(F)(F)CC2)c2ccc(Br)cc2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCOCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CCC(F)(F)C2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CO)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)[C@H](C)O)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)[C@@H](C)O)c2ccc(cc2)-c2cn[nH]c2)c1 |r|
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)c2ccc3cc[nH]c3c2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)c2cnn3ccccc23)c2ccc(cc2)-c2cn[nH]c2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CO)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2COC2)N(Cc2cccc(F)c2C)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(F)F)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CO)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2COC2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CO)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)O)N(Cc2cc(F)cc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)O)N(Cc2cc(F)cc(OC)c2)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2(C)COC2)c2ccc(cc2)-c2cn[nH]c2)c1C
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2(C)COC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(F)F)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CO)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2COC2)c2ccc(cn2)-c2cn[nH]c2)c1
COCC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(cn2)-c2cn[nH]c2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)O)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(cn2)-c2cn[nH]c2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CC(C)C)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)C)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CC(F)(F)C2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CN(C)C)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)CO)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)O)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)COC)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CCCO2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2CC(F)C2)N(Cc2cccc(OC)c2)C1=O |(-4.8,-3.58,;-5.57,-2.24,;-4.8,-.91,;-3.26,-.91,;-2.49,.42,;-3.26,1.76,;-4.8,1.76,;-5.57,.42,;-7.11,.42,;-8.02,1.67,;-9.48,1.19,;-9.48,-.35,;-8.02,-.82,;-.95,.42,;-.05,-.82,;1.42,-.35,;1.02,-1.83,;2.11,-2.92,;3.6,-2.52,;3.99,-1.04,;2.9,.05,;4.93,-3.29,;4.93,-4.83,;6.26,-2.52,;7.75,-2.92,;8.15,-1.43,;9.48,-.66,;6.66,-1.04,;1.42,1.19,;2.75,1.96,;4.24,1.57,;4.64,.08,;6.12,-.32,;7.21,.77,;6.9,2.3,;8,3.37,;7.62,4.87,;5.33,2.66,;-.05,1.67,;-.82,3,)|
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2CC(F)(F)C2)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CN(C)C)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)CO)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)[C@@H]2CC2(F)F)c2ncc(-c3cn[nH]c3)c(OC)n2)c1 |r|
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CC(C)C)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)C)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C2(O)CC2)N(Cc2cccc(OC)c2)C1=O
CCc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)[C@H]2CC2(F)F)N(Cc2cccc(OC)c2)C1=O |r|
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CN(C)C)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COCC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(OC)c2)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)CO)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C(C)(C)O)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C(=O)C2COC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CC(C)c2ccccc2)N(Cc2cccc(F)c2C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CN(C)C)N(Cc2cccc(F)c2C)C1=O
COCC(=O)N1CCC2(CN(C(=O)N2Cc2cccc(F)c2C)c2ccc(-c3cn[nH]c3)c(OC)n2)CC1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CCN2CCCC2=O)N(Cc2cccc(F)c2C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)CO)N(Cc2cccc(F)c2C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)CO)N(Cc2cccc(F)c2C)C1=O
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C(=O)C(C)(C)O)N(Cc2cccc(F)c2C)C1=O
COc1cccc(CN2C(=O)N(CC22CCN(CC3CCC(F)(F)CC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC3CCC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC3CCOCC3)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)S(C)(=O)=O)c2ccc(Br)cc2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cc(F)cc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(CN2C(=O)N(CC22CCN(CC2)C2COC2)c2ccc(-c3cn[nH]c3)c(OC)n2)c1
COc1nc(ccc1-c1cn[nH]c1)N1CC2(CCN(CC2)C2COC2)N(Cc2cccc(F)c2C)C1=O
COc1cccc(NC2C(=O)N(CC22CN(C2)C(=O)OC(C)(C)C)c2ccc(Br)cc2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)OC(C)(C)C)c2ncc(Br)c(OC)n2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)c2cnn3ccccc23)c2ncc(-c3cn[nH]c3)c(OC)n2)c1
COc1cccc(NC2C(=O)N(CC22CN(C2)C(C)=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CN(C2)C(=O)C2COC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CN(C2)C(=O)C(C)(C)O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CN(C2)C(=O)C(F)F)c2ccc(cc2)-c2cn[nH]c2)c1
COC(=O)N1CC2(C1)CN(C(=O)C2Nc1cccc(OC)c1)c1ccc(cc1)-c1cn[nH]c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(C)=O)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)CO)c2ccc(cc2)-c2cn[nH]c2)c1
COC(=O)N1CCC2(CN(C(=O)C2Nc2cccc(OC)c2)c2ccc(cc2)-c2cn[nH]c2)CC1
COc1cccc(NC2C(=O)N(CC22CCN(CCO)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC(C)(C)O)CC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)CC(C)c2ccccc2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1ccc(CCC(=O)N2CCC3(CN(C(=O)C3Nc3cccc(OC)c3)c3ccc(cn3)-c3cn[nH]c3)CC2)cc1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)CCn2cc(C)c3ccccc23)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)Cc2csc(C)n2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)CCc2nnc(o2)-c2ccccc2)c2ccc(cn2)-c2cn[nH]c2)c1
COc1cccc(NC2C(=O)N(CC22CCN(CC2)C(=O)CCN2CCCC2=O)c2ccc(cn2)-c2cn[nH]c2)c1
OCC(NC(=O)c1cc([nH]n1)-c1ccncc1)c1cccc(F)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3s2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2s1)-c1cn[nH]c1 |r|
COc1cccc(CN(CCN(C)C)C(=O)c2cc3ccc(nc3s2)-c2cn[nH]c2)c1
COc1cccc(c1)[C@@H](CO)NC(=O)c1cc2ccc(nc2s1)-c1cn[nH]c1 |r|
C[C@@H](NC(=O)c1cc2ccc(nc2s1)-c1cn[nH]c1)c1cccc(F)c1 |r|
C[C@@H](NC(=O)c1cc(n[nH]1)-c1ccncc1)c1cccc(Cl)c1 |r|
OC[C@@H](NC(=O)c1cc(n[nH]1)-c1ccncc1)c1cccc(Cl)c1 |r|
OC[C@@H](NC(=O)c1cc(n[nH]1)-c1ccncc1)c1ccccc1 |r|
CCOC(=O)c1sc(C)nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)OCc2ccccc2)C1 |r,wU:16.19,wD:14.15,12.12,(.65,16.16,;-.84,15.77,;-1.93,16.85,;-3.42,16.46,;-3.82,14.97,;-4.51,17.54,;-5.97,17.07,;-6.88,18.31,;-8.42,18.31,;-5.97,19.56,;-4.51,19.08,;-3.17,19.85,;-3.17,21.39,;-2.08,22.48,;-3.17,23.57,;-2.08,24.66,;-3.17,25.75,;-4.26,24.66,;-3.17,27.29,;-1.84,28.06,;-.5,27.29,;-1.84,29.6,;-.5,30.37,;-.5,31.91,;-1.84,32.68,;-1.84,34.22,;-.5,34.99,;.83,34.22,;.83,32.68,;-4.26,22.48,)|
CC(C)(O)CCc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@@]2(C1)CC(C2)Oc1c(sc2ccccc12)C(N)=O |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2nc(n3cc(ccc23)-n2ccccc2=O)C(F)(F)F)C1)C1CC1 |r|
Cn1cc(C(N)=O)c(OC2C[C@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCCC(F)(F)F)ccc34)C2)n1 |r,wD:11.36,13.15,(-8.23,-15.17,;-6.69,-15.17,;-5.79,-16.41,;-4.32,-15.94,;-2.99,-16.71,;-1.66,-15.94,;-2.99,-18.25,;-4.32,-14.4,;-2.99,-13.63,;-2.99,-12.09,;-4.08,-11,;-2.99,-9.91,;-4.08,-8.82,;-2.99,-7.73,;-1.9,-8.82,;-2.99,-6.19,;-1.66,-5.42,;-1.66,-3.88,;-.32,-6.19,;-.32,-7.73,;1.14,-8.21,;2.05,-6.96,;3.58,-6.8,;4.2,-5.39,;5.69,-5,;6.78,-6.08,;6.38,-7.57,;4.89,-7.97,;3.41,-8.37,;4.5,-6.48,;5.29,-9.46,;3.3,-4.15,;1.77,-4.31,;1.14,-5.72,;-1.9,-11,;-5.79,-13.92,)|
CCOC(=O)c1cnn(C(=O)OC(C)(C)C)c1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3c(C4CC4)c(OCC(C)(C)O)ccc23)C1 |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccccc2c1C(N)=O |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@@]2(C1)CC(C2)Oc1nc2ncccc2cc1C(N)=O |r,wU:23.28,wD:23.31,21.23,(8.85,-36.49,;8.45,-37.98,;9.54,-39.07,;9.93,-37.58,;6.96,-38.38,;5.87,-37.29,;4.38,-37.69,;3.48,-36.44,;1.95,-36.6,;1.32,-38.01,;-.14,-38.49,;-.14,-40.03,;1.32,-40.5,;2.23,-39.26,;3.76,-39.09,;4.85,-40.18,;5.24,-41.67,;6.33,-40.58,;-1.48,-37.72,;-1.48,-36.18,;-2.81,-38.49,;-2.81,-40.03,;-3.9,-41.11,;-2.81,-42.2,;-1.72,-41.11,;-3.9,-43.29,;-2.81,-44.38,;-1.72,-43.29,;-2.81,-45.92,;-4.15,-46.69,;-5.48,-45.92,;-6.81,-46.69,;-8.15,-45.92,;-9.48,-46.69,;-9.48,-48.23,;-8.15,-49,;-6.81,-48.23,;-5.48,-49,;-4.15,-48.23,;-2.81,-49,;-1.48,-48.23,;-2.81,-50.54,)|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@@]2(C1)CC(C2)Oc1nc2NCCCc2cc1C(N)=O |r,wD:21.23,23.25,(8.62,7.05,;8.15,5.59,;9.18,4.44,;9.65,5.91,;6.64,5.27,;5.61,6.41,;4.1,6.09,;3.07,7.23,;1.57,6.91,;1.09,5.45,;-.32,4.82,;-.15,3.29,;1.35,2.97,;2.12,4.31,;3.63,4.63,;4.66,3.48,;4.98,1.97,;6.12,3,;-1.65,5.59,;-1.65,7.13,;-2.98,4.82,;-2.98,3.28,;-4.07,2.19,;-2.98,1.11,;-1.89,2.19,;-4.07,.02,;-2.98,-1.07,;-1.89,.02,;-2.98,-2.61,;-4.32,-3.38,;-5.65,-2.61,;-6.98,-3.38,;-8.32,-2.61,;-9.65,-3.38,;-9.65,-4.92,;-8.32,-5.69,;-6.99,-4.92,;-5.65,-5.69,;-4.32,-4.92,;-2.99,-5.69,;-1.65,-4.93,;-2.99,-7.23,)|
NC(=O)c1cc2sccc2nc1OC1CC2(CC(C2)NC(=O)C2CCC(CC2)C(F)(F)F)C1 |(8.76,-35.23,;7.43,-36,;7.43,-37.54,;6.09,-35.23,;4.76,-36,;3.43,-35.23,;1.96,-35.7,;1.06,-34.46,;1.96,-33.21,;3.43,-33.69,;4.76,-32.92,;6.09,-33.69,;7.43,-32.92,;7.43,-31.38,;8.52,-30.29,;7.43,-29.2,;8.52,-28.11,;7.43,-27.02,;6.34,-28.11,;7.43,-25.48,;8.76,-24.71,;10.1,-25.48,;8.76,-23.17,;10.1,-22.4,;10.1,-20.86,;8.76,-20.04,;7.43,-20.86,;7.43,-22.4,;8.76,-18.5,;8.76,-16.96,;10.3,-18.5,;7.22,-18.5,;6.34,-30.29,)|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)Oc2ccc(cc2)[N+]([O-])=O)C1)C1CC1 |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(F)F)ccc23)C1)C1CC1 |r,wD:9.9,11.11,13.16,(-.79,-11.31,;-2.13,-12.08,;-2.13,-13.62,;-3.46,-11.31,;-4.92,-11.78,;-5.83,-10.54,;-4.92,-9.29,;-3.46,-9.77,;-2.13,-9,;-2.13,-7.46,;-1.04,-6.37,;-2.13,-5.28,;-3.21,-4.19,;-2.13,-3.1,;-1.04,-4.19,;-2.13,-1.56,;-.79,-.79,;-.79,.75,;.54,-1.56,;.54,-3.1,;2.01,-3.58,;2.91,-2.33,;4.44,-2.17,;5.07,-.76,;6.56,-.36,;7.65,-1.45,;9.13,-1.05,;10.22,-2.14,;9.53,.43,;4.16,.48,;2.63,.32,;2.01,-1.08,;-3.21,-6.37,;-7.37,-10.54,;-8.7,-9.77,;-8.7,-11.31,)|
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)N[C@H]1C[C@@]2(C1)CC(C2)Oc1nc2CCOCc2cc1C(N)=O |r,wU:20.22,wD:18.19,(9.25,4.68,;8.17,5.77,;8.56,7.26,;9.65,6.17,;6.68,5.37,;5.59,6.46,;4.1,6.06,;3.07,7.21,;1.57,6.89,;1.09,5.42,;-.32,4.8,;-.16,3.27,;1.35,2.94,;2.12,4.28,;3.63,4.6,;-1.65,5.57,;-1.65,7.11,;-2.98,4.8,;-2.98,3.26,;-4.07,2.17,;-2.98,1.08,;-1.9,2.17,;-4.07,-.01,;-2.98,-1.1,;-1.9,-.01,;-2.98,-2.64,;-4.32,-3.41,;-5.65,-2.64,;-6.99,-3.41,;-8.32,-2.64,;-9.65,-3.41,;-9.65,-4.95,;-8.32,-5.72,;-6.99,-4.95,;-5.65,-5.72,;-4.32,-4.95,;-2.98,-5.72,;-2.98,-7.26,;-1.65,-4.95,)|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(Cc2ccccc2)CC1=O |r,wU:16.23,wD:14.15,19.24,(3.33,-7.57,;2,-8.34,;2,-9.88,;.67,-7.57,;-.67,-8.34,;-2,-7.57,;-3.33,-8.34,;-4.67,-7.57,;-4.67,-6.03,;-3.33,-5.26,;-2,-6.03,;-.67,-5.26,;.67,-6.03,;2,-5.26,;2,-3.72,;3.09,-2.63,;2,-1.54,;.91,-2.63,;.91,-.45,;2,.64,;3.09,-.45,;2,2.18,;.67,2.95,;-.67,2.18,;.67,4.49,;2,5.26,;2,6.8,;.67,7.57,;.67,9.11,;-.67,9.88,;-2,9.11,;-2,7.57,;-.67,6.8,;3.33,4.49,;3.33,2.95,;4.67,2.18,)|
Cn1cc(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)n1 |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)-c1ccccc1 |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3c(C4CC4)c(OCCC(F)(F)F)ccc23)C1)-c1ccccc1 |r|
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)-c1ccccc1 |r,wD:23.28,20.24,18.19,(10.13,4.48,;9.04,5.57,;9.44,7.06,;10.53,5.97,;7.53,5.25,;6.5,6.4,;5,6.08,;3.97,7.22,;2.46,6.9,;1.98,5.44,;.58,4.81,;.74,3.28,;2.25,2.96,;3.02,4.29,;4.52,4.61,;-.76,5.58,;-.76,7.12,;-2.09,4.81,;-2.09,3.27,;-3.18,2.18,;-2.09,1.09,;-1,2.18,;-1,0,;-2.09,-1.09,;-3.18,0,;-2.09,-2.63,;-3.5,-3.25,;-4.9,-2.63,;-5.93,-3.77,;-5.16,-5.1,;-3.66,-4.78,;-2.41,-5.69,;-1,-5.06,;-2.57,-7.22,;-7.47,-3.61,;-8.09,-2.2,;-9.62,-2.04,;-10.53,-3.29,;-9.9,-4.69,;-8.37,-4.86,)|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)-c1ccccc1 |r,wD:26.32,23.28,21.23,(10.13,4.48,;9.04,5.57,;9.44,7.06,;10.53,5.97,;7.53,5.25,;6.5,6.4,;5,6.08,;3.97,7.22,;2.46,6.9,;1.98,5.44,;.58,4.81,;.74,3.28,;2.25,2.96,;3.02,4.29,;4.52,4.61,;5.55,3.47,;5.87,1.96,;7.02,2.99,;-.76,5.58,;-.76,7.12,;-2.09,4.81,;-2.09,3.27,;-3.18,2.18,;-2.09,1.09,;-1,2.18,;-1,0,;-2.09,-1.09,;-3.18,0,;-2.09,-2.63,;-3.5,-3.25,;-4.9,-2.63,;-5.93,-3.77,;-5.16,-5.1,;-3.66,-4.78,;-2.41,-5.69,;-1,-5.06,;-2.57,-7.22,;-7.47,-3.61,;-8.09,-2.2,;-9.62,-2.04,;-10.53,-3.29,;-9.9,-4.69,;-8.37,-4.86,)|
CCn1cc(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)n1 |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(CC2CCNCC2)sc1C(N)=O |r|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(C)(C)O)ccc34)C2)c(s1)C(N)=O |r|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)c(s1)C(N)=O |r|
COCCn1cc(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)n1 |r|
COCCn1ncc(C(N)=O)c1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3c(C4CC4)c(OCC(C)(C)O)ccc23)C1 |r,wD:13.13,15.15,17.20,(-7.59,1.82,;-8.73,.79,;-8.41,-.72,;-6.95,-1.19,;-6.63,-2.7,;-7.66,-3.84,;-6.89,-5.18,;-5.38,-4.86,;-4.13,-5.76,;-2.73,-5.13,;-4.3,-7.29,;-5.22,-3.32,;-3.89,-2.55,;-3.89,-1.01,;-2.8,.07,;-3.89,1.16,;-4.98,2.25,;-3.89,3.34,;-2.8,2.25,;-3.89,4.88,;-2.55,5.65,;-2.55,7.19,;-1.22,4.88,;-1.06,3.35,;.45,3.03,;1.22,4.36,;2.72,4.68,;3.76,3.54,;4.08,2.03,;5.22,3.06,;3.2,6.15,;4.71,6.47,;5.74,5.32,;7.24,5.64,;7.64,7.13,;8.33,4.56,;8.73,6.04,;2.17,7.29,;.66,6.97,;.19,5.51,;-4.98,.07,)|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3nn(C(F)F)c4cc(OCC(C)(C)O)ccc34)C2)c(s1)C(N)=O |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1[nH]ncc1C(N)=O |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(CCCN)cc1C(N)=O |r|
CC(C)(O)COc5ccc4c(C(=O)NC1CC3(C1)CC(Oc2c(C(N)=O)cnn2CCCN)C3)cnn4c5C6CC6
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(CCN)cc1C(N)=O |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C(F)F |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)-c1ccccc1C#N |r|
Cn1cc(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(ccc34)N3CCOCC3)C2)n1 |r,wD:9.8,11.10,13.15,(-8.45,-4.16,;-6.92,-4.32,;-6.15,-5.66,;-4.65,-5.34,;-3.4,-6.24,;-1.99,-5.61,;-3.56,-7.77,;-4.49,-3.8,;-3.15,-3.03,;-3.15,-1.49,;-2.06,-.41,;-3.15,.68,;-4.24,1.77,;-3.15,2.86,;-2.06,1.77,;-3.15,4.4,;-1.82,5.17,;-1.82,6.71,;-.48,4.4,;-.32,2.87,;1.18,2.55,;1.95,3.88,;3.46,4.2,;3.94,5.67,;2.9,6.81,;1.4,6.49,;.92,5.03,;5.44,5.99,;6.47,4.84,;7.98,5.16,;8.45,6.63,;7.42,7.77,;5.92,7.45,;-4.24,-.41,;-5.89,-3.18,)|
Cn1cc(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(ccc34)N3CC4(COC4)C3)C2)n1 |r,wD:9.8,11.10,13.15,(-9.08,-4.14,;-7.55,-4.3,;-6.78,-5.64,;-5.27,-5.32,;-4.02,-6.22,;-2.62,-5.59,;-4.19,-7.75,;-5.11,-3.78,;-3.78,-3.01,;-3.78,-1.47,;-2.69,-.39,;-3.78,.7,;-4.86,1.79,;-3.78,2.88,;-2.69,1.79,;-3.78,4.42,;-2.44,5.19,;-2.44,6.73,;-1.11,4.42,;-.95,2.89,;.56,2.57,;1.33,3.9,;2.84,4.22,;3.31,5.69,;2.28,6.83,;.77,6.51,;.3,5.05,;4.82,6.01,;6.11,5.17,;6.95,6.46,;8.24,5.62,;9.08,6.91,;7.79,7.75,;5.66,7.3,;-4.86,-.39,;-6.52,-3.16,)|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(ccc34)N3CC(CO)(CCl)C3)C2)c(s1)C(N)=O |r|
CN1CCN(CC1)c1ccc2c(cnn2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(C)cc1C(N)=O |r|
Cn1cc(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3nn(C(F)F)c4cc(OCC(C)(C)O)ccc34)C2)n1 |r|
Cc1c(C(N)=O)c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)nn1C |r|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)-c1ccccc1 |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1c(cnn1C(F)F)C(N)=O |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCCC(F)(F)F)ccc23)C1)-c1ccccc1 |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cc(cc(c2)-c2cnn(c2)C(F)F)C#N)C1)-c1ccccc1 |r|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)-c1ccccc1 |r|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn(c3C)-c3ccc(cc3)C#N)C2)c(s1)C(N)=O |r,wD:5.4,7.6,9.11,(-9.07,-3.56,;-7.54,-3.72,;-6.51,-2.58,;-5.1,-3.2,;-3.69,-2.58,;-3.69,-1.04,;-2.6,.05,;-3.69,1.14,;-4.78,2.23,;-3.69,3.32,;-2.6,2.23,;-3.69,4.86,;-2.36,5.63,;-2.36,7.17,;-1.03,4.86,;-.87,3.33,;.64,3.01,;1.41,4.34,;.38,5.49,;.86,6.95,;2.94,4.5,;3.85,3.26,;5.38,3.42,;6.12,4.8,;5.1,6.07,;3.57,5.91,;7.65,4.94,;9.18,5.08,;-4.78,.05,;-5.26,-4.73,;-6.77,-5.05,;-4.02,-5.64,;-2.61,-5.01,;-4.18,-7.17,)|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)C1CC1 |r|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)C1CC1 |r,wD:21.26,18.22,16.17,(2.33,6.95,;1.85,5.49,;.44,4.86,;.6,3.33,;2.11,3.01,;2.88,4.34,;4.41,4.5,;5.32,3.26,;6.85,3.42,;7.48,4.83,;9.01,4.99,;6.57,6.07,;5.04,5.91,;-.89,5.63,;-.89,7.17,;-2.22,4.86,;-2.22,3.32,;-3.31,2.23,;-2.22,1.14,;-1.14,2.23,;-1.14,.05,;-2.22,-1.04,;-3.31,.05,;-2.22,-2.58,;-3.63,-3.2,;-5.04,-2.58,;-6.07,-3.72,;-5.3,-5.05,;-3.79,-4.73,;-2.55,-5.64,;-1.14,-5.01,;-2.71,-7.17,;-7.6,-3.56,;-8.85,-2.65,;-9.01,-4.19,)|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(C)cc1C(N)=O |r,wD:22.27,19.23,17.18,(.86,6.95,;.38,5.49,;-1.03,4.86,;-.87,3.33,;.64,3.01,;1.41,4.34,;2.94,4.5,;3.85,3.26,;5.38,3.42,;6.12,4.8,;5.1,6.07,;3.57,5.91,;7.65,4.94,;9.18,5.08,;-2.36,5.63,;-2.36,7.17,;-3.69,4.86,;-3.69,3.32,;-4.78,2.23,;-3.69,1.14,;-2.6,2.23,;-2.6,.05,;-3.69,-1.04,;-4.78,.05,;-3.69,-2.58,;-5.1,-3.2,;-6.51,-2.58,;-7.54,-3.72,;-9.07,-3.56,;-6.77,-5.05,;-5.26,-4.73,;-4.02,-5.64,;-2.61,-5.01,;-4.18,-7.17,)|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(C)cc1C(N)=O |r|
COc1ccc(cn1)-n1ncc(C(=O)N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2nn(C)cc2C(N)=O)c1C |r|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)-c1ccccc1 |r|
COc1ccc(cn1)-n1ncc(C(=O)N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2nn(cc2C(N)=O)C2CC2)c1C |r,wD:20.24,17.20,15.15,(9.49,3.77,;8.55,4.99,;7.01,4.83,;6.11,6.07,;4.58,5.91,;3.95,4.5,;4.86,3.26,;6.39,3.42,;2.42,4.34,;1.65,3.01,;.14,3.33,;-.02,4.86,;-1.35,5.63,;-1.35,7.17,;-2.69,4.86,;-2.69,3.32,;-3.77,2.23,;-2.69,1.14,;-1.6,2.23,;-1.6,.05,;-2.69,-1.04,;-3.77,.05,;-2.69,-2.58,;-4.09,-3.2,;-5.5,-2.58,;-6.53,-3.72,;-5.76,-5.05,;-4.25,-4.73,;-3.01,-5.64,;-1.6,-5.01,;-3.17,-7.17,;-8.06,-3.56,;-9.28,-2.62,;-9.49,-4.14,;1.39,5.49,;1.86,6.95,)|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C1CC1 |r,wD:21.26,18.22,16.17,(2.34,6.95,;1.86,5.49,;.45,4.86,;.61,3.33,;2.12,3.01,;2.89,4.34,;4.42,4.5,;5.33,3.26,;6.86,3.42,;7.48,4.83,;9.02,4.99,;6.58,6.07,;5.05,5.91,;-.88,5.63,;-.88,7.17,;-2.22,4.86,;-2.22,3.32,;-3.3,2.23,;-2.22,1.14,;-1.13,2.23,;-1.13,.05,;-2.22,-1.04,;-3.3,.05,;-2.22,-2.58,;-3.62,-3.2,;-5.03,-2.58,;-6.06,-3.72,;-5.29,-5.05,;-3.78,-4.73,;-2.54,-5.64,;-1.13,-5.01,;-2.7,-7.17,;-7.59,-3.56,;-8.81,-2.62,;-9.02,-4.14,)|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc23)C1)C(F)F |r,wU:9.9,11.11,13.16,(-7.59,5.19,;-6.34,6.1,;-4.93,5.47,;-6.5,7.63,;-7.83,8.4,;-7.51,9.9,;-5.98,10.06,;-5.36,8.66,;-3.85,8.34,;-3.37,6.87,;-2,6.17,;-2.7,4.8,;-3.4,3.43,;-2.03,2.73,;-1.33,4.1,;-1.55,1.27,;-.05,.94,;.98,2.09,;.43,-.52,;-.48,-1.77,;.43,-3.01,;1.89,-2.54,;3.23,-3.31,;4.56,-2.54,;5.9,-3.31,;5.9,-4.85,;7.23,-5.62,;8.56,-6.39,;8,-4.28,;8.77,-2.95,;9.33,-5.05,;6.67,-3.51,;6.46,-6.95,;5.69,-8.28,;5.13,-6.18,;7.79,-7.72,;4.56,-1,;3.23,-.23,;1.89,-1,;-4.07,5.5,;-8.54,11.05,;-10.05,10.73,;-8.07,12.51,)|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(F)(F)F)ccc23)C1)C(F)F |r|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C(F)F |r|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C(F)F |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(F)(F)F)ccc23)C1)C1CC1 |r,wD:9.9,11.11,13.16,(-1.82,-5.06,;-3.23,-5.69,;-3.39,-7.22,;-4.48,-4.78,;-5.98,-5.1,;-6.75,-3.77,;-5.72,-2.63,;-4.32,-3.25,;-2.91,-2.63,;-2.91,-1.09,;-1.82,0,;-2.91,1.09,;-4,2.18,;-2.91,3.27,;-1.82,2.18,;-2.91,4.81,;-1.57,5.58,;-1.57,7.12,;-.24,4.81,;-.08,3.28,;1.43,2.96,;2.2,4.29,;3.7,4.61,;4.18,6.08,;5.68,6.4,;6.72,5.25,;8.22,5.57,;9.71,5.97,;8.62,7.06,;9.31,4.48,;3.15,7.22,;1.64,6.9,;1.17,5.44,;-4,0,;-8.28,-3.61,;-9.5,-2.67,;-9.71,-4.19,)|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(F)F)ccc23)C1)C1CC1 |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2nc(n3ccccc23)C(F)(F)F)C1)C1CC1 |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2nc(n3cc(ccc23)-c2ccc(F)nc2)C(F)(F)F)C1)C1CC1 |r|
NC(=O)c1cn(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2nc(n3cc(Br)ccc23)C(F)(F)F)C1)C1CC1 |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc23)C1)C1CC1 |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc23)C1)C1CC1 |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2nc(n3cc(ccc23)-c2ccc(F)nc2)C(F)(F)F)C1)C1CC1 |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2nc(n3ccccc23)C(F)(F)F)C1)C1CC1 |r,wD:9.9,11.11,13.16,(1.55,-5.43,;.14,-6.05,;-.02,-7.59,;-1.1,-5.15,;-2.57,-5.63,;-3.47,-4.38,;-2.57,-3.13,;-1.1,-3.61,;.23,-2.84,;.07,-1.31,;1.04,-.11,;-.16,.86,;-1.35,1.83,;-.39,3.02,;.81,2.05,;-.55,4.56,;.7,5.46,;.54,6.99,;2.11,4.83,;2.43,3.33,;3.96,3.17,;4.58,4.57,;6.05,5.05,;6.37,6.56,;5.22,7.59,;3.76,7.11,;3.44,5.6,;4.73,1.83,;5.5,.5,;6.06,2.6,;3.39,1.06,;-1.13,-.34,;-5.01,-4.38,;-6.32,-3.57,;-6.37,-5.11,)|
Cc1c(cnn1-c1ccccc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C1CC1 |r,wD:20.25,17.21,15.16,(2.89,6.93,;2.57,5.43,;1.16,4.8,;1.32,3.27,;2.83,2.95,;3.6,4.28,;5.13,4.44,;6.07,3.23,;7.6,3.43,;8.18,4.86,;7.24,6.07,;5.71,5.87,;-.17,5.57,;-.17,7.11,;-1.51,4.8,;-1.51,3.26,;-2.6,2.17,;-1.51,1.08,;-.42,2.17,;-.42,-.01,;-1.51,-1.09,;-2.6,-.01,;-1.51,-2.63,;-2.91,-3.26,;-4.38,-2.79,;-5.28,-4.03,;-4.38,-5.28,;-2.91,-4.8,;-1.58,-5.57,;-.25,-4.8,;-1.58,-7.11,;-6.82,-4.03,;-8.13,-3.22,;-8.18,-4.76,)|
Cc1c(cnn1-c1ccc(F)cc1F)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C1CC1 |r|
Cc1c(cnn1-c1ccc(F)cc1F)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)C1CC1 |r|
Cc1c(cnn1-c1ccccc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc(sc1C(N)=O)C1CC1 |r,wD:20.25,17.21,15.16,(2.89,6.93,;2.57,5.43,;1.16,4.8,;1.32,3.27,;2.83,2.95,;3.6,4.28,;5.13,4.44,;6.07,3.23,;7.6,3.43,;8.18,4.86,;7.24,6.07,;5.71,5.87,;-.17,5.57,;-.17,7.11,;-1.51,4.8,;-1.51,3.26,;-2.6,2.17,;-1.51,1.08,;-.42,2.17,;-.42,-.01,;-1.51,-1.09,;-2.6,-.01,;-1.51,-2.63,;-2.91,-3.26,;-4.38,-2.79,;-5.28,-4.03,;-4.38,-5.28,;-2.91,-4.8,;-1.58,-5.57,;-.25,-4.8,;-1.58,-7.11,;-6.82,-4.03,;-8.13,-3.22,;-8.18,-4.76,)|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn(cc1C(N)=O)C1CC1 |r|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(F)F)ccc34)C2)c(s1)C(N)=O |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2ccccc2cc1C(N)=O |r,wD:26.32,23.28,21.23,(8.65,6.98,;8.17,5.51,;9.2,4.37,;9.7,5.83,;6.67,5.19,;5.63,6.34,;4.13,6.02,;3.1,7.16,;1.59,6.84,;1.12,5.38,;-.29,4.75,;-.13,3.22,;1.38,2.9,;2.15,4.23,;3.65,4.55,;4.68,3.41,;5,1.9,;6.15,2.93,;-1.62,5.52,;-1.62,7.06,;-2.96,4.75,;-2.96,3.21,;-4.05,2.12,;-2.96,1.03,;-1.87,2.12,;-1.87,-.06,;-2.96,-1.15,;-4.05,-.06,;-2.96,-2.69,;-4.37,-3.31,;-5.7,-2.54,;-7.03,-3.31,;-8.37,-2.54,;-9.7,-3.31,;-9.7,-4.85,;-8.37,-5.62,;-7.03,-4.85,;-5.7,-5.62,;-4.37,-4.85,;-3.03,-5.62,;-1.7,-4.85,;-3.03,-7.16,)|
Cc1nn(C)c2nc(OC3CC4(C[C@@H](C4)NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)c(cc12)C(N)=O |r|
NC(=O)c1cc2sccc2nc1OC1CC2(CC(C2)NC(=O)c2cnn3ccccc23)C1 |(-.36,-7.23,;-.36,-5.69,;.98,-4.92,;-1.69,-4.92,;-3.03,-5.69,;-4.36,-4.92,;-5.82,-5.4,;-6.73,-4.15,;-5.82,-2.91,;-4.36,-3.38,;-3.03,-2.61,;-1.69,-3.38,;-.36,-2.61,;-.36,-1.07,;.73,.02,;-.36,1.1,;.73,2.19,;-.36,3.28,;-1.45,2.19,;-.36,4.82,;.98,5.59,;.98,7.13,;2.31,4.82,;2.47,3.29,;3.98,2.97,;4.75,4.3,;6.25,4.62,;6.73,6.09,;5.7,7.23,;4.19,6.91,;3.72,5.45,;-1.45,.02,)|
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)NC1CC2(C1)CC(C2)Oc1nc2ccsc2cc1C(N)=O |(4.52,-3.98,;5.55,-2.84,;7.06,-3.16,;5.95,-4.32,;5.08,-1.37,;3.57,-1.05,;3.09,.41,;1.59,.73,;1.11,2.2,;2.14,3.34,;1.98,4.87,;3.39,5.5,;4.42,4.35,;3.65,3.02,;4.12,1.56,;.65,5.64,;.65,7.18,;-.69,4.87,;-.69,3.33,;.4,2.24,;-.69,1.15,;-1.78,2.24,;.4,.07,;-.69,-1.02,;-1.78,.07,;-.69,-2.56,;-2.02,-3.33,;-3.35,-2.56,;-4.69,-3.33,;-6.15,-2.86,;-7.06,-4.1,;-6.15,-5.35,;-4.69,-4.87,;-3.35,-5.64,;-2.02,-4.87,;-.69,-5.64,;.65,-4.87,;-.69,-7.18,)|
NC(=O)c1cc2sccc2nc1OC1CC2(CC(C2)NC(=O)C2CCC(F)(F)CC2)C1 |(1.08,-4.87,;-.25,-5.64,;-.25,-7.18,;-1.59,-4.87,;-2.92,-5.64,;-4.25,-4.87,;-5.72,-5.35,;-6.62,-4.1,;-5.72,-2.86,;-4.25,-3.33,;-2.92,-2.56,;-1.59,-3.33,;-.25,-2.56,;-.25,-1.02,;.84,.07,;-.25,1.15,;.84,2.24,;-.25,3.33,;-1.34,2.24,;-.25,4.87,;1.08,5.64,;1.08,7.18,;2.42,4.87,;2.42,3.33,;3.75,2.56,;5.08,3.33,;5.85,2,;6.62,3.33,;5.08,4.87,;3.75,5.64,;-1.34,.07,)|
NC(=O)c1cc2sccc2nc1OC1CC2(CC(C2)NC(=O)C2CN(Cc3ccc(Cl)cc3)C(=O)C2)C1 |(-.19,-6.35,;-1.52,-7.12,;-1.52,-8.66,;-2.86,-6.35,;-4.19,-7.12,;-5.53,-6.35,;-6.99,-6.83,;-7.9,-5.58,;-6.99,-4.34,;-5.53,-4.81,;-4.19,-4.04,;-2.86,-4.81,;-1.52,-4.04,;-1.52,-2.5,;-.44,-1.41,;-1.52,-.33,;-.44,.76,;-1.52,1.85,;-2.61,.76,;-1.52,3.39,;-.19,4.16,;-.19,5.7,;1.14,3.39,;2.55,4.02,;3.58,2.87,;5.11,3.04,;5.74,4.44,;7.27,4.6,;7.9,6.01,;6.99,7.26,;7.62,8.66,;5.46,7.1,;4.83,5.69,;2.81,1.54,;3.44,.13,;1.3,1.86,;-2.61,-1.41,)|
NC(=O)c1cc2sccc2nc1OC1CC2(CC(C2)NC(=O)c2cccc(c2)C#N)C1 |(.52,-4.87,;-.82,-5.64,;-.82,-7.18,;-2.15,-4.87,;-3.48,-5.64,;-4.82,-4.87,;-6.28,-5.35,;-7.19,-4.1,;-6.28,-2.86,;-4.82,-3.33,;-3.48,-2.56,;-2.15,-3.33,;-.82,-2.56,;-.82,-1.02,;.27,.07,;-.82,1.15,;.27,2.24,;-.82,3.33,;-1.9,2.24,;-.82,4.87,;.52,5.64,;.52,7.18,;1.85,4.87,;1.85,3.33,;3.19,2.56,;4.52,3.33,;4.63,4.95,;3.19,5.64,;5.97,5.73,;7.3,6.5,;-1.9,.07,)|
NC(=O)c1cc2COCCc2nc1OC1CC2(CC(C2)NC(=O)c2cnn3ccccc23)C1 |(2.12,-4.87,;.78,-5.64,;.78,-7.18,;-.55,-4.87,;-1.89,-5.64,;-3.22,-4.87,;-4.55,-5.64,;-5.89,-4.87,;-5.89,-3.33,;-4.55,-2.56,;-3.22,-3.33,;-1.89,-2.56,;-.55,-3.33,;.78,-2.56,;.78,-1.02,;1.87,.07,;.78,1.15,;1.87,2.24,;.78,3.33,;-.31,2.24,;.78,4.87,;2.12,5.64,;2.12,7.18,;3.45,4.87,;4.86,5.5,;5.89,4.35,;5.12,3.02,;5.59,1.56,;4.56,.41,;3.06,.73,;2.58,2.2,;3.61,3.34,;-.31,.07,)|
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)NC1CC2(C1)CC(C2)Oc1nc2CCOCc2cc1C(N)=O |(8.34,8.45,;7.87,6.98,;8.9,5.84,;9.38,7.3,;6.36,6.66,;5.89,5.2,;4.38,4.88,;3.35,6.02,;1.84,5.7,;1.37,4.24,;-.04,3.61,;.12,2.08,;1.63,1.76,;2.4,3.09,;3.9,3.41,;-1.37,4.38,;-1.37,5.92,;-2.71,3.61,;-2.71,2.07,;-1.62,.98,;-2.71,-.11,;-3.8,.98,;-1.62,-1.2,;-2.71,-2.29,;-3.8,-1.2,;-2.71,-3.83,;-4.04,-4.6,;-5.37,-3.83,;-6.71,-4.6,;-8.04,-3.83,;-9.38,-4.6,;-9.38,-6.14,;-8.04,-6.91,;-6.71,-6.14,;-5.37,-6.91,;-4.04,-6.14,;-2.71,-6.91,;-1.37,-6.14,;-2.71,-8.45,)|
NC(=O)c1cc2sccc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cccc(c2)C#N)C1 |r,wD:13.14,15.16,17.21,(-.82,-7.18,;-.82,-5.64,;.52,-4.87,;-2.15,-4.87,;-3.48,-5.64,;-4.82,-4.87,;-6.28,-5.35,;-7.19,-4.1,;-6.28,-2.86,;-4.82,-3.33,;-3.48,-2.56,;-2.15,-3.33,;-.82,-2.56,;-.82,-1.02,;.27,.07,;-.82,1.15,;-1.9,2.24,;-.82,3.33,;.27,2.24,;-.82,4.87,;.52,5.64,;.52,7.18,;1.85,4.87,;1.85,3.33,;3.19,2.56,;4.52,3.33,;4.63,4.95,;3.19,5.64,;5.97,5.73,;7.3,6.5,;-1.9,.07,)|
CC(C)(O)COc1ccc2c(cnn2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2ccsc2cc1C(N)=O |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cccc(c2)C#N)C1 |r|
NC(=O)c1cc2sccc2nc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(Cc2ccccc2)CC1=O |r,wD:13.14,15.16,18.23,(3.19,-7.57,;1.85,-8.34,;1.85,-9.88,;.52,-7.57,;-.82,-8.34,;-2.15,-7.57,;-3.61,-8.04,;-4.52,-6.8,;-3.61,-5.55,;-2.15,-6.03,;-.82,-5.26,;.52,-6.03,;1.85,-5.26,;1.85,-3.72,;2.94,-2.63,;1.85,-1.54,;.76,-2.63,;.76,-.45,;1.85,.64,;2.94,-.45,;1.85,2.18,;.52,2.95,;-.82,2.18,;.52,4.49,;1.85,5.26,;1.85,6.8,;.52,7.57,;.52,9.11,;-.82,9.88,;-2.15,9.11,;-2.15,7.57,;-.82,6.8,;3.19,4.49,;3.19,2.95,;4.52,2.18,)|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2ccc(F)c(c2)C#N)C1 |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cccc(CC#N)c2)C1 |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cc(ccc2F)C#N)C1 |r|
COc1ccc(cc1C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2CCOCc2cc1C(N)=O |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2ccc3[nH]ncc3c2)C1 |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2ccc(Br)c(c2)C#N)C1 |r,wD:14.15,16.17,18.22,(,-7.18,;,-5.64,;1.33,-4.87,;-1.33,-4.87,;-2.67,-5.64,;-4,-4.87,;-5.33,-5.64,;-6.67,-4.87,;-6.67,-3.33,;-5.33,-2.56,;-4,-3.33,;-2.67,-2.56,;-1.33,-3.33,;,-2.56,;,-1.02,;1.09,.07,;,1.15,;-1.09,2.24,;,3.33,;1.09,2.24,;,4.87,;1.33,5.64,;1.33,7.18,;2.67,4.87,;4,5.64,;5.33,4.87,;5.33,3.33,;6.67,2.56,;4,3.92,;2.67,3.33,;4,2.38,;4,.84,;-1.09,.07,)|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2ccc(C#N)c(F)c2)C1 |r|
Cc1sc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)nc2c1C |r|
Cc1sc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cccc(c4)C#N)C3)nc2c1C |r|
Cc1sc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnc5ccc(F)cc5c4)C3)nc2c1C |r|
Cc1csc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)nc12 |r|
Cc1csc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cccc(c4)C#N)C3)nc12 |r|
Cc1csc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnc5ccc(F)cc5c4)C3)nc12 |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnc3ccc(F)cc3c2)C1 |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)nc12 |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cccc(c4)C#N)C3)nc12 |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnc5ccc(F)cc5c4)C3)nc12 |r|
NC(=O)c1cn(nc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(Cc2ccccc2)C1=O)C1CC1 |r,wD:9.9,11.11,14.18,(3.08,-8.07,;1.62,-8.55,;1.3,-10.06,;.47,-7.52,;-1.03,-7.84,;-1.8,-6.5,;-.77,-5.36,;.63,-5.99,;1.97,-5.22,;1.97,-3.68,;3.06,-2.59,;1.97,-1.5,;.88,-2.59,;.88,-.41,;1.97,.68,;3.06,-.41,;1.97,2.22,;3.21,3.12,;4.68,2.65,;2.74,4.59,;1.2,4.59,;.29,5.83,;.92,7.24,;2.45,7.4,;3.08,8.81,;2.17,10.06,;.64,9.89,;.01,8.49,;.72,3.12,;-.74,2.65,;-3.34,-6.5,;-4.68,-5.73,;-4.68,-7.27,)|
CC(C)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nn(cc3C(N)=O)C3CC3)C2)C1=O |r,wD:13.15,11.11,9.8,(2.45,8.19,;.92,8.03,;.01,9.27,;.29,6.62,;1.2,5.37,;2.74,5.37,;3.21,3.91,;4.68,3.43,;1.97,3,;1.97,1.46,;.88,.37,;1.97,-.72,;3.06,-1.8,;1.97,-2.89,;.88,-1.8,;1.97,-4.43,;.63,-5.2,;-.77,-4.58,;-1.8,-5.72,;-1.03,-7.05,;.47,-6.73,;1.62,-7.76,;3.08,-7.29,;1.3,-9.27,;-3.34,-5.72,;-4.68,-4.95,;-4.68,-6.49,;3.06,.37,;.72,3.91,;-.74,3.43,)|
CC(C)C1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nc(sc3C(N)=O)C3CC3)C2)C1=O |r,wD:12.14,10.10,8.7,(.92,8.65,;.29,7.24,;-1.24,7.08,;1.2,6,;2.74,6,;3.21,4.53,;4.68,4.06,;1.97,3.63,;1.97,2.09,;.88,1,;1.97,-.09,;3.06,-1.18,;1.97,-2.27,;.88,-1.18,;1.97,-3.81,;.63,-4.58,;-.77,-3.95,;-1.8,-5.1,;-1.03,-6.43,;.47,-6.11,;1.62,-7.14,;3.08,-6.67,;1.3,-8.65,;-3.34,-5.1,;-4.68,-4.33,;-4.68,-5.87,;3.06,1,;.72,4.53,;-.74,4.06,)|
NC(=O)c1sc(nc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(Cc2cccnc2)C1=O)C1CC1 |r,wD:9.9,11.11,14.18,(3.08,-6.51,;1.62,-6.98,;1.3,-8.49,;.47,-5.95,;-1.03,-6.27,;-1.8,-4.94,;-.77,-3.79,;.63,-4.42,;1.97,-3.65,;1.97,-2.11,;3.06,-1.02,;1.97,.07,;.88,-1.02,;.88,1.16,;1.97,2.25,;3.06,1.16,;1.97,3.79,;3.21,4.69,;4.68,4.22,;2.74,6.16,;1.2,6.16,;.29,7.4,;-1.24,7.24,;-2.14,8.49,;-3.68,8.33,;-4.3,6.92,;-3.4,5.67,;-1.87,5.83,;.72,4.69,;-.74,4.22,;-3.34,-4.94,;-4.68,-4.17,;-4.68,-5.71,)|
CCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nc(sc3C(N)=O)C3CC3)C2)C1=O |r,wD:11.13,9.9,7.6,(-1.24,7.78,;.29,7.94,;1.2,6.7,;2.74,6.7,;3.21,5.23,;4.68,4.76,;1.97,4.33,;1.97,2.79,;.88,1.7,;1.97,.61,;3.06,-.48,;1.97,-1.57,;.88,-.48,;1.97,-3.11,;.63,-3.88,;-.77,-3.25,;-1.8,-4.39,;-1.03,-5.73,;.47,-5.41,;1.62,-6.44,;3.08,-5.96,;1.3,-7.94,;-3.34,-4.39,;-4.68,-3.62,;-4.68,-5.16,;3.06,1.7,;.72,5.23,;-.74,4.76,)|
C[C@@H](O)C1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nc(sc3C(N)=O)C3CC3)C2)C1=O |r,wU:1.1,wD:12.14,10.10,8.7,(-1.24,7.08,;.29,7.24,;.92,8.65,;1.2,6,;2.74,6,;3.21,4.53,;4.68,4.06,;1.97,3.63,;1.97,2.09,;.88,1,;1.97,-.09,;3.06,-1.18,;1.97,-2.27,;.88,-1.18,;1.97,-3.81,;.63,-4.58,;-.77,-3.95,;-1.8,-5.1,;-1.03,-6.43,;.47,-6.11,;1.62,-7.14,;3.08,-6.67,;1.3,-8.65,;-3.34,-5.1,;-4.68,-4.33,;-4.68,-5.87,;3.06,1,;.72,4.53,;-.74,4.06,)|
CC(C)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nc(sc3C(N)=O)C3CC3)C2)C1=O |r,wD:13.15,11.11,9.8,(-2.14,8.49,;-1.24,7.24,;-1.87,5.83,;.29,7.4,;1.2,6.16,;2.74,6.16,;3.21,4.69,;4.68,4.22,;1.97,3.79,;1.97,2.25,;.88,1.16,;1.97,.07,;3.06,-1.02,;1.97,-2.11,;.88,-1.02,;1.97,-3.65,;.63,-4.42,;-.77,-3.79,;-1.8,-4.94,;-1.03,-6.27,;.47,-5.95,;1.62,-6.98,;3.08,-6.51,;1.3,-8.49,;-3.34,-4.94,;-4.68,-4.17,;-4.68,-5.71,;3.06,1.16,;.72,4.69,;-.74,4.22,)|
COc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn(c3C)-c3ccc(cc3)C#N)C2)c(s1)C(N)=O |r,wD:6.5,8.7,10.12,(-8.27,-25.42,;-7.5,-24.09,;-5.96,-24.09,;-5.06,-22.84,;-3.6,-23.32,;-2.26,-22.55,;-2.26,-21.01,;-1.17,-19.92,;-2.26,-18.83,;-3.35,-17.74,;-2.26,-16.65,;-1.17,-17.74,;-2.26,-15.11,;-.93,-14.34,;-.93,-12.8,;.41,-15.11,;.41,-16.65,;1.87,-17.13,;2.78,-15.88,;1.87,-14.64,;2.27,-13.15,;4.32,-15.88,;5.09,-17.22,;6.63,-17.22,;7.4,-15.88,;6.63,-14.55,;5.09,-14.55,;8.94,-15.88,;10.48,-15.88,;-3.35,-19.92,;-3.6,-24.86,;-5.06,-25.34,;-2.26,-25.63,;-.93,-24.86,;-2.26,-27.17,)|
COc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn(c3C)-c3ccc(Cl)cc3)C2)c(s1)C(N)=O |r,wU:8.30,wD:10.12,6.5,(-8.72,-4.83,;-7.81,-3.58,;-6.28,-3.74,;-5.25,-2.6,;-3.85,-3.22,;-2.51,-2.45,;-2.51,-.91,;-1.42,.18,;-2.51,1.26,;-3.6,2.35,;-2.51,3.44,;-1.42,2.35,;-2.51,4.98,;-1.18,5.75,;-1.18,7.29,;.16,4.98,;.32,3.45,;1.82,3.13,;2.59,4.46,;1.56,5.61,;1.88,7.11,;4.12,4.63,;5.03,3.38,;6.56,3.54,;7.19,4.95,;8.72,5.11,;6.28,6.19,;4.75,6.03,;-3.6,.18,;-4.01,-4.76,;-5.51,-5.08,;-2.86,-5.79,;-1.4,-5.31,;-3.18,-7.29,)|
COc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn(c3C)-c3ccc(cn3)C(F)(F)F)C2)c(s1)C(N)=O |r,wU:8.33,wD:10.12,6.5,(-9.46,-4.83,;-8.56,-3.58,;-7.03,-3.74,;-6,-2.6,;-4.59,-3.22,;-3.26,-2.45,;-3.26,-.91,;-2.17,.18,;-3.26,1.26,;-4.34,2.35,;-3.26,3.44,;-2.17,2.35,;-3.26,4.98,;-1.92,5.75,;-1.92,7.29,;-.59,4.98,;-.43,3.45,;1.08,3.13,;1.85,4.46,;.82,5.61,;1.14,7.11,;3.38,4.63,;4.01,6.03,;5.54,6.19,;6.44,4.95,;5.82,3.54,;4.29,3.38,;7.98,5.11,;9.46,5.27,;8.37,6.6,;8.75,3.77,;-4.34,.18,;-4.75,-4.76,;-6.26,-5.08,;-3.61,-5.79,;-2.14,-5.31,;-3.93,-7.29,)|
COc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(F)F)ccc34)C2)c(s1)C(N)=O |r,wU:8.31,wD:10.12,6.5,(-9.18,-4.88,;-8.28,-3.63,;-6.75,-3.79,;-5.72,-2.65,;-4.31,-3.27,;-2.98,-2.5,;-2.98,-.96,;-1.89,.12,;-2.98,1.21,;-4.07,2.3,;-2.98,3.39,;-1.89,2.3,;-2.98,4.93,;-1.64,5.7,;-1.64,7.24,;-.31,4.93,;-.15,3.4,;1.36,3.08,;2.13,4.41,;3.63,4.73,;4.11,6.2,;5.62,6.52,;6.65,5.37,;8.15,5.69,;9.18,4.55,;8.63,7.16,;3.08,7.34,;1.57,7.02,;1.1,5.56,;-4.07,.12,;-4.47,-4.81,;-5.98,-5.13,;-3.33,-5.84,;-1.86,-5.36,;-3.65,-7.34,)|
COc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc34)C2)c(s1)C(N)=O |r|
COc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(F)(F)F)ccc34)C2)c(s1)C(N)=O |r,wD:6.5,8.7,10.12,(-9.35,-5.21,;-8.52,-3.91,;-6.98,-3.99,;-6.01,-2.79,;-4.57,-3.33,;-3.29,-2.49,;-3.29,-.95,;-2.2,.14,;-3.29,1.23,;-4.38,2.32,;-3.29,3.41,;-2.2,2.32,;-3.29,4.95,;-1.95,5.72,;-1.95,7.26,;-.62,4.95,;-.46,3.42,;1.05,3.09,;1.82,4.43,;3.32,4.75,;3.8,6.21,;5.31,6.53,;6.34,5.39,;7.84,5.71,;8.87,4.56,;8.32,7.17,;9.35,6.03,;2.77,7.36,;1.26,7.04,;.79,5.57,;-4.38,.14,;-4.65,-4.87,;-6.13,-5.28,;-3.45,-5.84,;-2.01,-5.28,;-3.68,-7.36,)|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccccc2c1C(N)=O |r|
Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccccc2c1C(N)=O |r|
Cc1c(cnn1-c1ccc(cn1)C(F)(F)F)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccccc2c1C(N)=O |r|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccccc2c1C(N)=O |r|
NC(=O)c1c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(F)F)ccc34)C2)nn2ccccc12 |r|
NC(=O)c1c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc34)C2)nn2ccccc12 |r|
COc1ccc2c(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(C(F)F)c5cc(OCC(C)(C)O)ccc45)C3)nn2c1 |r|
COc1ccc2c(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnn5cc(OCC(F)F)ccc45)C3)nn2c1 |r|
Cc1ccc2c(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(C(F)F)c5cc(OCC(C)(C)O)ccc45)C3)nn2c1 |r|
NC(=O)c1c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(F)F)ccc34)C2)nn2cc(F)ccc12 |r,wD:6.5,8.7,10.12,(-1.14,-5.35,;-2.6,-5.84,;-2.91,-7.35,;-3.75,-4.82,;-3.61,-3.28,;-2.28,-2.5,;-2.28,-.96,;-1.19,.13,;-2.28,1.22,;-3.37,2.31,;-2.28,3.39,;-1.19,2.31,;-2.28,4.93,;-.95,5.7,;-.95,7.24,;.38,4.93,;.55,3.4,;2.05,3.08,;2.82,4.42,;4.33,4.74,;4.8,6.2,;6.31,6.52,;7.34,5.38,;8.85,5.7,;9.88,4.55,;9.32,7.16,;3.77,7.35,;2.27,7.03,;1.79,5.56,;-3.37,.13,;-5.02,-2.67,;-6.04,-3.83,;-7.58,-3.84,;-8.34,-5.18,;-9.88,-5.2,;-7.55,-6.51,;-6.01,-6.49,;-5.26,-5.15,)|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2cc(F)ccc2c1C(N)=O |r|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2cc(F)ccc2c1C(N)=O |r|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2cc(ccc2c1C(N)=O)C(F)(F)F |r,wD:26.31,23.27,21.22,(10.03,4.55,;9,5.7,;9.48,7.16,;10.51,6.02,;7.49,5.38,;6.46,6.52,;4.96,6.2,;3.93,7.35,;2.42,7.03,;1.94,5.56,;.54,4.93,;.7,3.4,;2.21,3.08,;2.83,1.68,;1.93,.43,;4.36,1.52,;2.98,4.42,;4.48,4.74,;-.8,5.7,;-.8,7.24,;-2.13,4.93,;-2.13,3.39,;-3.22,2.31,;-2.13,1.22,;-1.04,2.31,;-1.04,.13,;-2.13,-.96,;-3.22,.13,;-2.13,-2.5,;-3.46,-3.28,;-4.87,-2.67,;-5.89,-3.83,;-7.43,-3.84,;-8.18,-5.18,;-7.4,-6.51,;-5.86,-6.49,;-5.1,-5.15,;-3.6,-4.82,;-2.45,-5.84,;-.99,-5.35,;-2.75,-7.35,;-9.72,-5.2,;-10.51,-3.87,;-10.48,-6.54,;-8.97,-3.86,)|
NC(=O)c1c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4cc(OCC(F)F)ccc34)C2)nn2cc(ccc12)C(F)(F)F |r,wD:6.5,8.7,10.12,(-.81,-5.39,;-2.27,-5.86,;-2.59,-7.37,;-3.42,-4.83,;-3.26,-3.3,;-1.92,-2.53,;-1.92,-.99,;-.84,.1,;-1.92,1.19,;-3.01,2.28,;-1.92,3.37,;-.84,2.28,;-1.92,4.91,;-.59,5.68,;-.59,7.22,;.74,4.91,;.9,3.37,;2.41,3.05,;3.18,4.39,;4.69,4.71,;5.16,6.17,;6.65,6.57,;7.74,5.48,;9.23,5.88,;10.32,4.79,;9.63,7.37,;4.13,7.32,;2.63,7,;2.15,5.53,;-3.01,.1,;-4.66,-2.67,;-5.7,-3.82,;-7.24,-3.82,;-8.01,-5.15,;-7.24,-6.49,;-5.7,-6.49,;-4.93,-5.15,;-9.55,-5.15,;-10.32,-6.49,;-10.32,-3.82,;-8.78,-3.82,)|
Cc1ccn2nc(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(C(F)F)c5cc(OCC(C)(C)O)ccc45)C3)c(C(N)=O)c2c1 |r|
Cc1cccc2c(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(C(F)F)c5cc(OCC(C)(C)O)ccc45)C3)nn12 |r|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2c(cccc2c1C(N)=O)-c1ccccc1 |r,wD:26.31,23.27,21.22,(10.12,4.79,;9.03,5.88,;9.43,7.37,;10.51,6.28,;7.54,5.48,;6.45,6.57,;4.96,6.17,;3.93,7.32,;2.43,7,;1.95,5.53,;.54,4.91,;.7,3.37,;2.21,3.05,;2.84,1.65,;1.93,.4,;4.37,1.49,;2.98,4.39,;4.49,4.71,;-.79,5.68,;-.79,7.22,;-2.12,4.91,;-2.12,3.37,;-3.21,2.28,;-2.12,1.19,;-1.03,2.28,;-1.03,.1,;-2.12,-.99,;-3.21,.1,;-2.12,-2.53,;-3.46,-3.3,;-4.86,-2.67,;-5.89,-3.82,;-7.43,-3.82,;-8.2,-5.15,;-7.43,-6.49,;-5.89,-6.49,;-5.12,-5.15,;-3.62,-4.83,;-2.47,-5.86,;-1.01,-5.39,;-2.79,-7.37,;-8.2,-2.48,;-7.43,-1.15,;-8.2,.18,;-9.74,.18,;-10.51,-1.15,;-9.74,-2.48,)|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2cc(ccc2c1C(N)=O)-c1ccc(F)nc1 |r|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccc(cc2c1C(N)=O)-c1ccc(F)nc1 |r,wD:26.31,23.27,21.22,(10.12,7.02,;9.03,8.11,;9.43,9.59,;10.51,8.51,;7.54,7.71,;6.45,8.8,;4.96,8.4,;3.93,9.54,;2.43,9.22,;1.95,7.76,;.54,7.13,;.7,5.6,;2.21,5.28,;2.84,3.87,;1.93,2.63,;4.37,3.71,;2.98,6.61,;4.49,6.93,;-.79,7.9,;-.79,9.44,;-2.12,7.13,;-2.12,5.59,;-3.21,4.5,;-2.12,3.41,;-1.03,4.5,;-1.03,2.32,;-2.12,1.24,;-3.21,2.32,;-2.12,-.3,;-3.46,-1.07,;-4.86,-.45,;-5.89,-1.59,;-7.43,-1.59,;-8.2,-2.93,;-7.43,-4.26,;-5.89,-4.26,;-5.12,-2.93,;-3.62,-2.61,;-2.47,-3.64,;-1.01,-3.16,;-2.79,-5.14,;-8.2,-5.59,;-9.74,-5.59,;-10.51,-6.93,;-9.74,-8.26,;-10.51,-9.59,;-8.2,-8.26,;-7.43,-6.93,)|
CC(C)(O)COc1ccc2c(nn(C(F)F)c2c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nn2ccc(cc2c1C(N)=O)-c1ccccc1 |r,wD:26.31,23.27,21.22,(10.12,6.35,;9.03,7.44,;9.43,8.93,;10.51,7.84,;7.54,7.04,;6.45,8.13,;4.96,7.73,;3.93,8.88,;2.43,8.56,;1.95,7.09,;.54,6.46,;.7,4.93,;2.21,4.61,;2.84,3.21,;1.93,1.96,;4.37,3.05,;2.98,5.95,;4.49,6.27,;-.79,7.23,;-.79,8.77,;-2.12,6.46,;-2.12,4.92,;-3.21,3.84,;-2.12,2.75,;-1.03,3.84,;-1.03,1.66,;-2.12,.57,;-3.21,1.66,;-2.12,-.97,;-3.46,-1.74,;-4.86,-1.11,;-5.89,-2.26,;-7.43,-2.26,;-8.2,-3.59,;-7.43,-4.93,;-5.89,-4.93,;-5.12,-3.59,;-3.62,-3.27,;-2.47,-4.3,;-1.01,-3.83,;-2.79,-5.81,;-8.2,-6.26,;-9.74,-6.26,;-10.51,-7.59,;-9.74,-8.93,;-8.2,-8.93,;-7.43,-7.59,)|
COc1cccc2c(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(C(F)F)c5cc(OCC(C)(C)O)ccc45)C3)nn12 |r|
CC(C)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nn4ccccc4c3C(N)=O)C2)C1=O |r,wD:13.15,11.11,9.8,(3.61,1.35,;4.38,2.68,;3.61,4.01,;5.92,2.68,;6.69,1.35,;8.23,1.35,;8.71,-.12,;10.2,-.52,;7.46,-1.02,;7.46,-2.56,;6.38,-3.65,;7.46,-4.74,;8.55,-5.83,;7.46,-6.92,;6.38,-5.83,;7.46,-8.46,;6.13,-9.23,;4.67,-8.75,;3.76,-10,;2.23,-10.16,;1.6,-11.57,;2.51,-12.81,;4.04,-12.65,;4.67,-11.24,;6.13,-10.77,;7.46,-11.54,;8.8,-10.77,;7.46,-13.08,;8.55,-3.65,;6.22,-.12,;4.73,-.52,)|
CC(CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nn4ccccc4c3C(N)=O)C2)C1=O)C(F)(F)F |r|
CC(CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3nn4ccccc4c3C(N)=O)C2)C1=O)C(F)(F)F |r|
CC(C)CNc1nnc(s1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2CCOCc2cc1C(N)=O |r|
NC(=O)c1cc2COCCc2nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cccc(OC(F)(F)F)c2)C1 |r|
Cc1nc(NCC(C)(C)O)sc1C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2CCOCc2cc1C(N)=O |r,wD:20.24,17.20,15.15,(6.1,-.43,;5.71,1.06,;6.69,2.25,;5.86,3.55,;6.42,4.98,;7.95,5.21,;8.91,4.01,;10.43,4.24,;8.35,2.57,;9.87,2.8,;4.37,3.16,;4.28,1.62,;2.98,.79,;3.05,-.74,;1.62,1.5,;.32,.67,;-1.19,1,;-1.52,-.5,;-.01,-.83,;-1.85,-2,;-3.35,-1.67,;-3.02,-.17,;-4.65,-2.5,;-6.05,-1.87,;-6.21,-.34,;-7.62,.29,;-7.78,1.82,;-9.18,2.45,;-10.43,1.54,;-10.27,.01,;-8.87,-.62,;-8.71,-2.15,;-7.3,-2.78,;-7.14,-4.31,;-5.74,-4.94,;-8.39,-5.21,)|
CC(C)CNc1nc(C)c(s1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2CCOCc2cc1C(N)=O |r,wD:19.23,16.19,14.14,(10.43,4.24,;8.91,4.01,;8.35,2.57,;7.95,5.21,;6.42,4.98,;5.86,3.55,;6.69,2.25,;5.71,1.06,;6.1,-.43,;4.28,1.62,;4.37,3.16,;2.98,.79,;3.05,-.74,;1.62,1.5,;.32,.67,;-1.19,1,;-1.52,-.5,;-.01,-.83,;-1.85,-2,;-3.35,-1.67,;-3.02,-.17,;-4.65,-2.5,;-6.05,-1.87,;-6.21,-.34,;-7.62,.29,;-7.78,1.82,;-9.18,2.45,;-10.43,1.54,;-10.27,.01,;-8.87,-.62,;-8.71,-2.15,;-7.3,-2.78,;-7.14,-4.31,;-5.74,-4.94,;-8.39,-5.21,)|
Cc1c(cnn1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2n(C)ncc2cc1C(N)=O |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnn5c(C6CC6)c(OCC(C)(C)O)ccc45)C3)nc12 |r,wD:12.11,14.13,16.18,(-4.49,-6.43,;-3.88,-7.85,;-4.67,-9.17,;-3.65,-10.33,;-2.24,-9.72,;-.84,-10.37,;.42,-9.48,;1.82,-10.12,;1.96,-11.66,;3.07,-9.23,;.28,-7.94,;1.37,-6.86,;1.37,-5.32,;2.45,-4.23,;1.37,-3.14,;.28,-2.05,;1.37,-.96,;2.45,-2.05,;1.37,.58,;2.85,.98,;3.94,-.11,;3.25,2.47,;4.67,3.07,;4.54,4.6,;3.03,4.95,;2.29,6.3,;3.08,7.62,;4.43,8.36,;3.08,9.16,;.75,6.32,;-.02,7.66,;.75,8.99,;-.02,10.32,;.75,11.66,;-1.56,10.32,;-.79,11.66,;-.04,5,;.7,3.66,;2.24,3.63,;.28,-4.23,;-1.12,-7.3,;-2.38,-8.19,)|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cccc(CO)n4)C3)nc12 |r,wD:12.11,14.13,16.18,(-6.13,-3.64,;-5.44,-5.02,;-6.15,-6.38,;-5.08,-7.48,;-3.7,-6.8,;-2.27,-7.37,;-1.06,-6.41,;.37,-6.98,;.6,-8.5,;1.58,-6.02,;-1.28,-4.89,;-.19,-3.8,;-.19,-2.26,;.89,-1.17,;-.19,-.08,;-1.28,1.01,;-.19,2.1,;.89,1.01,;-.19,3.64,;1.29,4.04,;2.38,2.95,;1.69,5.52,;.6,6.61,;1,8.1,;2.49,8.5,;3.58,7.41,;5.07,7.81,;6.15,6.72,;3.18,5.92,;-1.28,-1.17,;-2.72,-4.32,;-3.92,-5.28,)|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nnc(s4)-c4ccc(cc4)C(F)(F)F)C3)nc12 |r|
Cc1c(cnn1-c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2n(C)ncc2cc1C(N)=O |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nnc(s4)-c4ccc(F)cc4F)C3)nc12 |r,wD:12.11,14.13,16.18,(-4.8,-6.27,;-4.11,-7.65,;-4.83,-9.01,;-3.75,-10.12,;-2.37,-9.43,;-.94,-10,;.27,-9.04,;1.7,-9.61,;1.93,-11.13,;2.91,-8.65,;.04,-7.52,;1.13,-6.43,;1.13,-4.89,;2.22,-3.8,;1.13,-2.71,;.04,-1.62,;1.13,-.53,;2.22,-1.62,;1.13,1.01,;2.62,1.41,;3.71,.32,;3.02,2.89,;4.46,3.44,;4.38,4.98,;2.89,5.38,;2.05,4.09,;2.34,6.82,;.82,7.06,;.26,8.5,;1.23,9.69,;.68,11.13,;2.75,9.45,;3.31,8.02,;4.83,7.77,;.04,-3.8,;-1.39,-6.95,;-2.59,-7.91,)|
Cc1c(cnn1-c1ccc(cc1)C#N)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2n(C)ncc2cc1C(N)=O |r,wD:22.27,19.23,17.18,(1.19,7.01,;.87,5.5,;-.54,4.87,;-.38,3.34,;1.13,3.02,;1.9,4.35,;3.43,4.52,;4.33,3.27,;5.87,3.43,;6.55,4.84,;5.59,6.08,;4.06,5.92,;8.08,5,;9.61,5.16,;-1.87,5.64,;-1.87,7.18,;-3.21,4.87,;-3.21,3.33,;-4.3,2.24,;-3.21,1.15,;-2.12,2.24,;-2.12,.07,;-3.21,-1.02,;-4.3,.07,;-3.21,-2.56,;-4.53,-3.35,;-5.87,-2.6,;-7.2,-3.39,;-8.67,-2.93,;-9.16,-1.47,;-9.56,-4.19,;-8.63,-5.42,;-7.18,-4.93,;-5.83,-5.68,;-4.51,-4.89,;-3.16,-5.64,;-1.84,-4.85,;-3.14,-7.18,)|
Cc1c(cnn1-c1ccc(cc1)-c1cnn(C)c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2n(C)ncc2cc1C(N)=O |r,wD:26.32,23.28,21.23,(-.13,7.05,;-.45,5.54,;-1.85,4.91,;-1.69,3.38,;-.19,3.06,;.58,4.4,;2.12,4.56,;3.02,3.31,;4.55,3.47,;5.18,4.88,;4.27,6.13,;2.74,5.96,;6.71,5.04,;7.48,6.37,;8.99,6.05,;9.15,4.52,;10.48,3.75,;7.74,3.9,;-3.19,5.68,;-3.19,7.22,;-4.52,4.91,;-4.52,3.37,;-5.61,2.29,;-4.52,1.2,;-3.43,2.29,;-3.43,.11,;-4.52,-.98,;-5.61,.11,;-4.52,-2.52,;-5.61,-3.61,;-7.04,-3.04,;-8.25,-4,;-9.77,-3.74,;-10.45,-2.36,;-10.48,-5.11,;-9.4,-6.21,;-8.02,-5.52,;-6.59,-6.09,;-5.39,-5.13,;-3.95,-5.7,;-3.73,-7.22,;-2.75,-4.74,)|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cc(-c5ccc(cc5)S(C)(=O)=O)n(n4)C(F)F)C3)nc12 |r,wD:12.11,14.13,16.18,(-9.16,-1.47,;-8.67,-2.93,;-9.56,-4.19,;-8.63,-5.42,;-7.18,-4.93,;-5.83,-5.68,;-4.51,-4.89,;-3.16,-5.64,;-3.14,-7.18,;-1.84,-4.85,;-4.53,-3.35,;-3.21,-2.56,;-3.21,-1.02,;-2.12,.07,;-3.21,1.15,;-4.3,2.24,;-3.21,3.33,;-2.12,2.24,;-3.21,4.87,;-1.87,5.64,;-1.87,7.18,;-.54,4.87,;.87,5.5,;1.9,4.35,;3.43,4.52,;4.33,3.27,;5.87,3.43,;6.49,4.84,;5.59,6.08,;4.06,5.92,;8.02,5,;9.56,5.16,;7.86,6.53,;8.19,3.47,;1.13,3.02,;-.38,3.34,;1.75,1.61,;.85,.37,;3.29,1.45,;-4.3,.07,;-5.87,-2.6,;-7.2,-3.39,)|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cc(-c5ccc(cc5)C#N)n(n4)C(F)F)C3)nc12 |r,wD:12.11,14.13,16.18,(-9.16,-1.47,;-8.67,-2.93,;-9.56,-4.19,;-8.63,-5.42,;-7.18,-4.93,;-5.83,-5.68,;-4.51,-4.89,;-3.16,-5.64,;-3.14,-7.18,;-1.84,-4.85,;-4.53,-3.35,;-3.21,-2.56,;-3.21,-1.02,;-2.12,.07,;-3.21,1.15,;-4.3,2.24,;-3.21,3.33,;-2.12,2.24,;-3.21,4.87,;-1.87,5.64,;-1.87,7.18,;-.54,4.87,;.87,5.5,;1.9,4.35,;3.43,4.52,;4.33,3.27,;5.87,3.43,;6.55,4.84,;5.59,6.08,;4.06,5.92,;8.08,5,;9.61,5.16,;1.13,3.02,;-.38,3.34,;1.75,1.61,;.85,.37,;3.29,1.45,;-4.3,.07,;-5.87,-2.6,;-7.2,-3.39,)|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nnc(s4)-c4cccc(c4)S(C)(=O)=O)C3)nc12 |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnc5n(CC(F)F)ncc5c4)C3)nc12 |r|
Cc1c(cnn1-c1ccc(cc1)-c1cnn(CC(F)F)c1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2n(C)ncc2cc1C(N)=O |r,wD:29.35,26.31,24.26,(-1.46,7.05,;-1.78,5.54,;-3.19,4.91,;-3.03,3.38,;-1.52,3.06,;-.75,4.4,;.78,4.56,;1.69,3.31,;3.22,3.47,;3.84,4.88,;2.94,6.13,;1.41,5.96,;5.38,5.04,;6.15,6.37,;7.65,6.05,;7.81,4.52,;9.15,3.75,;10.48,4.52,;11.81,3.75,;10.48,6.06,;6.41,3.9,;-4.52,5.68,;-4.52,7.22,;-5.85,4.91,;-5.85,3.37,;-6.94,2.29,;-5.85,1.2,;-4.77,2.29,;-4.77,.11,;-5.85,-.98,;-6.94,.11,;-5.85,-2.52,;-6.94,-3.61,;-8.38,-3.04,;-9.58,-4,;-11.1,-3.74,;-11.79,-2.36,;-11.81,-5.11,;-10.74,-6.21,;-9.36,-5.52,;-7.93,-6.09,;-6.72,-5.13,;-5.29,-5.7,;-5.06,-7.22,;-4.08,-4.74,)|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(CC(F)F)c5cc(OCC(C)(C)O)ccc45)C3)nc12 |r|
Cn1ncc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4nn(CC(F)F)c5cc(OCC(C)(C)F)ccc45)C3)nc12 |r|
Cc1sc2cc(C(N)=O)c(O[C@H]3C[C@@]4(C[C@@H](C4)NC(=O)c4cnn(c4C)-c4ccc(F)cc4F)C3)nc2c1C |r|
CC(C)CNC1=NN=C(C1C)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2c(C)c(C)sc2cc1C(N)=O |r,c:7,t:5|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:15,t:11|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C[C@H](N)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccc(cc1)C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)COC(=O)CCC(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:14,t:10|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:11,t:7|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1CC1C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc1ccc2cnccc2c1 |r,c:13,t:9|
CCCCCCCCCN(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CCCN(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CN(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CC(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CCCC(N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12
CCC[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
CCC[C@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
C[C@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r|
C[C@@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r,@:3|
C[C@H](N)C1CCN(CC1)S(=O)(=O)c1cccc2cnccc12 |r,@@:3|
NC(=O)c1cccnc1OC1CC2(CC(C2)Nc2nc3cc(F)c(Br)cc3s2)C1
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc3ccc(F)cc3s2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc3ccc(Cl)cc3s2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc3c(Cl)cccc3s2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc3c(Cl)cc(Cl)cc3s2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc3c(F)cccc3o2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc3c(F)cc(Cl)cc3s2)C1 |r|
COc1ccc(cc1)-c1csc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)n1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc(cs2)-c2ccc(Cl)cc2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc(cs2)-c2ccccc2Cl)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc(cs2)-c2ccccc2F)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc(cs2)-c2ccc(F)cc2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nc(cs2)-c2ccccc2)C1 |r,wD:10.10,12.12,14.17,(-.83,-5.15,;-2.16,-5.92,;-2.16,-7.46,;-3.49,-5.15,;-4.83,-5.92,;-6.16,-5.15,;-6.16,-3.61,;-4.83,-2.84,;-3.49,-3.61,;-2.16,-2.84,;-2.16,-1.3,;-1.07,-.22,;-2.16,.87,;-3.25,1.96,;-2.16,3.05,;-1.07,1.96,;-2.16,4.59,;-.83,5.36,;.64,4.89,;1.54,6.13,;.64,7.38,;-.83,6.9,;3.08,6.13,;3.85,4.8,;5.39,4.8,;6.16,6.13,;5.39,7.46,;3.85,7.46,;-3.25,-.22,)|
Cn1c(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)nc2c(F)cccc12 |r|
Cn1cc(cn1)-c1cccc2sc(NC3CC4(C3)CC(C4)Oc3ncccc3C(N)=O)nc12 |(9.28,-7.94,;7.75,-8.11,;6.72,-6.96,;5.31,-7.59,;5.47,-9.12,;6.98,-9.44,;3.97,-6.82,;2.64,-7.59,;1.31,-6.82,;1.31,-5.28,;2.64,-4.51,;2.96,-3,;4.49,-2.84,;5.26,-1.51,;6.8,-1.51,;7.89,-.42,;8.98,-1.51,;7.89,-2.6,;10.07,-.42,;11.16,-1.51,;10.07,-2.6,;12.7,-1.51,;13.47,-2.84,;12.7,-4.17,;13.47,-5.51,;15.01,-5.51,;15.78,-4.17,;15.01,-2.84,;15.78,-1.51,;17.32,-1.51,;15.01,-.17,;5.12,-4.25,;3.97,-5.28,)|
NC(=O)c1cccnc1OC1CC2(CC(C2)Nc2nnc(o2)-c2ccc(OC(F)(F)F)cc2)C1 |(10.2,.77,;8.66,.77,;7.89,2.1,;7.89,-.56,;8.66,-1.9,;7.89,-3.23,;6.35,-3.23,;5.58,-1.9,;6.35,-.56,;5.58,.77,;4.04,.77,;2.95,1.86,;1.86,.77,;.77,1.86,;-.32,.77,;.77,-.32,;-1.86,.77,;-2.63,-.56,;-4.16,-.72,;-4.48,-2.23,;-3.15,-3,;-2,-1.97,;-2.99,-4.53,;-4.23,-5.44,;-4.07,-6.97,;-2.66,-7.6,;-2.5,-9.13,;-1.1,-9.75,;.31,-10.38,;-.47,-8.35,;-1.72,-11.16,;-1.42,-6.69,;-1.58,-5.16,;2.95,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nnc(o2)-c2ccc(F)cc2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nnc(o2)-c2ccc(F)c(F)c2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nnc(o2)-c2ccc(F)c(F)c2F)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nnc(o2)-c2ccc(F)cc2F)C1 |r|
NC(=O)c1cccnc1OC1CC2(CC(C2)Nc2cnc3cc(F)ccc3n2)C1 |(13.04,5.16,;11.5,5.16,;10.73,6.5,;10.73,3.83,;11.5,2.5,;10.73,1.16,;9.19,1.16,;8.42,2.5,;9.19,3.83,;8.42,5.16,;6.88,5.16,;5.79,6.25,;4.7,5.16,;3.61,6.25,;2.52,5.16,;3.61,4.08,;.98,5.16,;.21,3.83,;-1.33,3.83,;-2.1,2.5,;-1.33,1.16,;-2.1,-.17,;-1.33,-1.5,;-2.1,-2.84,;.21,-1.5,;.98,-.17,;.21,1.16,;.98,2.5,;5.79,4.08,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2cnc3ccc(F)cc3n2)C1 |r,wD:10.10,12.12,14.17,(-.67,-5.26,;-2,-6.03,;-2,-7.57,;-3.33,-5.26,;-4.67,-6.03,;-6,-5.26,;-6,-3.72,;-4.67,-2.95,;-3.33,-3.72,;-2,-2.95,;-2,-1.41,;-.91,-.32,;-2,.77,;-3.09,1.86,;-2,2.95,;-.91,1.86,;-2,4.49,;-.67,5.26,;-.67,6.8,;.67,7.57,;2,6.8,;3.33,7.57,;4.67,6.8,;4.67,5.26,;6,4.49,;3.33,4.49,;2,5.26,;.67,4.49,;-3.09,-.32,)|
COc1ccc2ncnc(N[C@H]3C[C@]4(C3)C[C@@H](C4)Oc3ncccc3C(N)=O)c2c1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ncnc3cc(Cl)ccc23)C1 |r|
COc1ccc2c(N[C@H]3C[C@]4(C3)C[C@@H](C4)Oc3ncccc3C(N)=O)ncnc2c1 |r,wD:13.16,10.12,8.7,(6,2.95,;4.67,2.18,;3.33,2.95,;2,2.18,;.67,2.95,;.67,4.49,;-.67,5.26,;-2,4.49,;-2,2.95,;-3.09,1.86,;-2,.77,;-.91,1.86,;-.91,-.32,;-2,-1.41,;-3.09,-.32,;-2,-2.95,;-3.33,-3.72,;-4.67,-2.95,;-6,-3.72,;-6,-5.26,;-4.67,-6.03,;-3.33,-5.26,;-2,-6.03,;-.67,-5.26,;-2,-7.57,;-.67,6.8,;.67,7.57,;2,6.8,;2,5.26,;3.33,4.49,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ncnc3ccc(F)cc23)C1 |r|
COc1cnc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)c2cc(Cl)ccc12 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ncc3ccccc3n2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ncc3cc(F)ccc3n2)C1 |r,wD:10.10,12.12,14.17,(-.67,-5.26,;-2,-6.03,;-2,-7.57,;-3.33,-5.26,;-4.67,-6.03,;-6,-5.26,;-6,-3.72,;-4.67,-2.95,;-3.33,-3.72,;-2,-2.95,;-2,-1.41,;-.91,-.32,;-2,.77,;-3.09,1.86,;-2,2.95,;-.91,1.86,;-2,4.49,;-.67,5.26,;-.67,6.8,;.67,7.57,;2,6.8,;3.33,7.57,;4.67,6.8,;6,7.57,;4.67,5.26,;3.33,4.49,;2,5.26,;.67,4.49,;-3.09,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ncc3ccc(F)cc3n2)C1 |r,wD:10.10,12.12,14.17,(-.67,-5.26,;-2,-6.03,;-2,-7.57,;-3.33,-5.26,;-4.67,-6.03,;-6,-5.26,;-6,-3.72,;-4.67,-2.95,;-3.33,-3.72,;-2,-2.95,;-2,-1.41,;-.91,-.32,;-2,.77,;-3.09,1.86,;-2,2.95,;-.91,1.86,;-2,4.49,;-.67,5.26,;-.67,6.8,;.67,7.57,;2,6.8,;3.33,7.57,;4.67,6.8,;4.67,5.26,;6,4.49,;3.33,4.49,;2,5.26,;.67,4.49,;-3.09,-.32,)|
Cc1ccc2c(N[C@H]3C[C@]4(C3)C[C@@H](C4)Oc3ncccc3C(N)=O)nccc2c1 |r|
COc1ccc2c(N[C@H]3C[C@]4(C3)C[C@@H](C4)Oc3ncccc3C(N)=O)nc(OC)cc2c1 |r,wD:13.16,10.12,8.7,(6,1.79,;4.67,1.02,;3.33,1.79,;2,1.02,;.67,1.79,;.67,3.33,;-.67,4.1,;-2,3.33,;-2,1.79,;-3.09,.7,;-2,-.39,;-.91,.7,;-.91,-1.47,;-2,-2.56,;-3.09,-1.47,;-2,-4.1,;-3.33,-4.87,;-4.67,-4.1,;-6,-4.87,;-6,-6.41,;-4.67,-7.18,;-3.33,-6.41,;-2,-7.18,;-.67,-6.41,;-2,-8.72,;-.67,5.64,;.67,6.47,;.67,8.01,;-.67,8.78,;2,5.64,;2,4.1,;3.33,3.33,)|
COc1ccc2c(N[C@H]3C[C@]4(C3)C[C@@H](C4)Oc3ncccc3C(N)=O)nccc2c1 |r,wD:13.16,10.12,8.7,(6,2.95,;4.67,2.18,;3.33,2.95,;2,2.18,;.67,2.95,;.67,4.49,;-.67,5.26,;-2,4.49,;-2,2.95,;-3.09,1.86,;-2,.77,;-.91,1.86,;-.91,-.32,;-2,-1.41,;-3.09,-.32,;-2,-2.95,;-3.33,-3.72,;-4.67,-2.95,;-6,-3.72,;-6,-5.26,;-4.67,-6.03,;-3.33,-5.26,;-2,-6.03,;-.67,-5.26,;-2,-7.57,;-.67,6.8,;.67,7.57,;2,6.8,;2,5.26,;3.33,4.49,)|
CC1(C)OB(OC1(C)C)c1cnc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)nc1 |r,wD:19.23,16.19,14.14,(1.56,19.11,;.02,19.11,;1.36,19.88,;-.88,17.86,;-2.35,18.34,;-2.35,19.88,;-.88,20.35,;-.11,21.69,;.45,21.12,;-3.68,17.57,;-3.68,16.03,;-5.01,15.26,;-6.35,16.03,;-7.68,15.26,;-7.68,13.72,;-8.77,12.63,;-7.68,11.54,;-6.59,12.63,;-6.59,10.45,;-7.68,9.36,;-8.77,10.45,;-7.68,7.82,;-9.02,7.05,;-10.35,7.82,;-11.68,7.05,;-11.68,5.51,;-10.35,4.74,;-9.02,5.51,;-7.68,4.74,;-7.68,3.2,;-6.35,5.51,;-6.35,17.57,;-5.01,18.34,)|
NC(=O)c1cccnc1OC1C[C@]2(C[C@@H](C2)Nc2ncc3cc(Br)ccc3n2)C1 |r,wD:12.31,14.17,(-.67,-5.26,;-2,-6.03,;-2,-7.57,;-3.33,-5.26,;-4.67,-6.03,;-6,-5.26,;-6,-3.72,;-4.67,-2.95,;-3.33,-3.72,;-2,-2.95,;-2,-1.41,;-3.09,-.32,;-2,.77,;-3.09,1.86,;-2,2.95,;-.91,1.86,;-2,4.49,;-.67,5.26,;-.67,6.8,;.67,7.57,;2,6.8,;3.33,7.57,;4.67,6.8,;6,7.57,;4.67,5.26,;3.33,4.49,;2,5.26,;.67,4.49,;-.91,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CCCC(F)(F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CCC(F)(F)CC2)C1 |r,wD:10.10,12.12,14.17,(-2.77,-7.57,;-2.77,-6.03,;-1.44,-5.26,;-4.1,-5.26,;-5.44,-6.03,;-6.77,-5.26,;-6.77,-3.72,;-5.44,-2.95,;-4.1,-3.72,;-2.77,-2.95,;-2.77,-1.41,;-1.68,-.32,;-2.77,.77,;-3.86,1.86,;-2.77,2.95,;-1.68,1.86,;-2.77,4.49,;-1.44,5.26,;-1.44,6.8,;-.1,7.57,;1.23,6.8,;1.23,5.26,;-.1,4.49,;2.56,4.49,;2.56,2.95,;3.9,2.18,;5.23,2.95,;6.77,2.95,;6,1.61,;5.23,4.49,;3.9,5.26,;-3.86,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CCC(F)(F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CC(F)(F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CCC(F)CC2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CCCC(F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CC[C@H](F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)N2CCC(CC2)C(F)(F)F)C1 |r,wD:10.10,12.12,14.17,(-2,-5.26,;-3.33,-6.03,;-3.33,-7.57,;-4.67,-5.26,;-6,-6.03,;-7.34,-5.26,;-7.34,-3.72,;-6,-2.95,;-4.67,-3.72,;-3.33,-2.95,;-3.33,-1.41,;-2.25,-.32,;-3.33,.77,;-4.42,1.86,;-3.33,2.95,;-2.25,1.86,;-3.33,4.49,;-2,5.26,;-2,6.8,;-.67,7.57,;.67,6.8,;.67,5.26,;-.67,4.49,;2,4.49,;2,2.95,;3.33,2.18,;4.72,2.92,;4.67,4.49,;3.33,5.26,;6.05,2.15,;7.38,1.38,;5.28,.82,;6.82,3.48,;-4.42,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(NC3CCC(F)(F)CC3)n2)C1 |r|
CC(C)(CO)CNc1ccnc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)n1 |r,wD:18.21,15.17,13.12,(5.92,2.93,;4.59,2.17,;6.08,1.77,;4.59,.63,;5.92,-.14,;3.26,2.95,;3.26,4.49,;1.93,5.26,;1.93,6.8,;.59,7.57,;-.74,6.8,;-.74,5.26,;-2.07,4.49,;-2.07,2.95,;-3.16,1.86,;-2.07,.77,;-.99,1.86,;-.99,-.32,;-2.07,-1.41,;-3.16,-.32,;-2.07,-2.95,;-3.41,-3.72,;-4.74,-2.95,;-6.08,-3.72,;-6.08,-5.26,;-4.74,-6.03,;-3.41,-5.26,;-2.07,-6.03,;-.74,-5.26,;-2.07,-7.57,;.59,4.49,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)-c2ccncc2)C1 |r,wD:10.10,12.12,14.17,(-.67,-5.26,;-2,-6.03,;-2,-7.57,;-3.33,-5.26,;-4.67,-6.03,;-6,-5.26,;-6,-3.72,;-4.67,-2.95,;-3.33,-3.72,;-2,-2.95,;-2,-1.41,;-.91,-.32,;-2,.77,;-3.09,1.86,;-2,2.95,;-.91,1.86,;-2,4.49,;-.67,5.26,;-.67,6.8,;.67,7.57,;2,6.8,;2,5.26,;.67,4.49,;3.33,4.49,;3.33,2.95,;4.67,2.18,;6,2.95,;6,4.49,;4.67,5.26,;-3.09,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)-c2ccc(F)cc2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)-c2ccc(cc2)C#N)C1 |r,wD:10.10,12.12,14.17,(-2,-5.26,;-3.33,-6.03,;-3.33,-7.57,;-4.67,-5.26,;-6,-6.03,;-7.34,-5.26,;-7.34,-3.72,;-6,-2.95,;-4.67,-3.72,;-3.33,-2.95,;-3.33,-1.41,;-2.25,-.32,;-3.33,.77,;-4.42,1.86,;-3.33,2.95,;-2.25,1.86,;-3.33,4.49,;-2,5.26,;-2,6.8,;-.67,7.57,;.67,6.8,;.67,5.26,;-.67,4.49,;2,4.49,;2,2.95,;3.33,2.18,;4.72,2.92,;4.67,4.49,;3.33,5.26,;6.05,2.15,;7.38,1.38,;-4.42,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)-c2cccc(F)c2)C1 |r|
CN(C)C(=O)c1ccc(cc1)-c1ccnc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)n1 |r,wD:22.26,19.22,17.17,(4.67,-.13,;6,.64,;7.34,-.13,;6,2.18,;7.34,2.95,;4.67,2.95,;3.33,2.18,;2,2.95,;2,4.49,;3.33,5.26,;4.67,4.49,;.67,5.26,;.67,6.8,;-.67,7.57,;-2,6.8,;-2,5.26,;-3.33,4.49,;-3.33,2.95,;-4.42,1.86,;-3.33,.77,;-2.25,1.86,;-2.25,-.32,;-3.33,-1.41,;-4.42,-.32,;-3.33,-2.95,;-4.67,-3.72,;-6,-2.95,;-7.34,-3.72,;-7.34,-5.26,;-6,-6.03,;-4.67,-5.26,;-3.33,-6.03,;-2,-5.26,;-3.33,-7.57,;-.67,4.49,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)-c2cccnc2)C1 |r,wD:10.10,12.12,14.17,(-.67,-5.26,;-2,-6.03,;-2,-7.57,;-3.33,-5.26,;-4.67,-6.03,;-6,-5.26,;-6,-3.72,;-4.67,-2.95,;-3.33,-3.72,;-2,-2.95,;-2,-1.41,;-.91,-.32,;-2,.77,;-3.09,1.86,;-2,2.95,;-.91,1.86,;-2,4.49,;-.67,5.26,;-.67,6.8,;.67,7.57,;2,6.8,;2,5.26,;.67,4.49,;3.33,4.49,;3.33,2.95,;4.67,2.18,;6,2.95,;6,4.49,;4.67,5.26,;-3.09,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2nccc(n2)-c2cccc(c2)C#N)C1 |r,wD:10.10,12.12,14.17,(-2,-5.26,;-3.33,-6.03,;-3.33,-7.57,;-4.67,-5.26,;-6,-6.03,;-7.34,-5.26,;-7.34,-3.72,;-6,-2.95,;-4.67,-3.72,;-3.33,-2.95,;-3.33,-1.41,;-2.25,-.32,;-3.33,.77,;-4.42,1.86,;-3.33,2.95,;-2.25,1.86,;-3.33,4.49,;-2,5.26,;-2,6.8,;-.67,7.57,;.67,6.8,;.67,5.26,;-.67,4.49,;2,4.49,;2,2.95,;3.33,2.18,;4.67,2.95,;4.72,4.52,;3.33,5.26,;6.05,5.29,;7.38,6.06,;-4.42,-.32,)|
CN(C)C(=O)c1cccc(c1)-c1ccnc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)n1 |r,wD:22.26,19.22,17.17,(2,.64,;3.33,-.13,;3.33,-1.67,;4.67,.64,;6,-.13,;4.67,2.18,;6,2.95,;6,4.49,;4.67,5.26,;3.33,4.49,;3.33,2.95,;2,5.26,;2,6.8,;.67,7.57,;-.67,6.8,;-.67,5.26,;-2,4.49,;-2,2.95,;-3.09,1.86,;-2,.77,;-.91,1.86,;-.91,-.32,;-2,-1.41,;-3.09,-.32,;-2,-2.95,;-3.33,-3.72,;-4.67,-2.95,;-6,-3.72,;-6,-5.26,;-4.67,-6.03,;-3.33,-5.26,;-2,-6.03,;-.67,-5.26,;-2,-7.57,;.67,4.49,)|
Cn1cc(cn1)-c1ccnc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)n1 |r|
NC(=O)c1cccnc1OC1C[C@]2(C[C@@H](C2)Nc2ncc(cn2)C#N)C1 |r,wD:12.27,14.17,(,-5.64,;-1.33,-6.41,;-1.33,-7.95,;-2.67,-5.64,;-4,-6.41,;-5.33,-5.64,;-5.33,-4.1,;-4,-3.33,;-2.67,-4.1,;-1.33,-3.33,;-1.33,-1.79,;-2.42,-.7,;-1.33,.38,;-2.42,1.47,;-1.33,2.56,;-.24,1.47,;-1.33,4.1,;,4.87,;1.33,4.1,;2.67,4.87,;2.72,6.44,;1.33,7.18,;,6.41,;4.05,7.21,;5.38,7.98,;-.24,-.7,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CCCC(F)(F)C2)C1 |r,wD:10.10,12.12,14.17,(-2.77,-7.57,;-2.77,-6.03,;-1.44,-5.26,;-4.1,-5.26,;-5.44,-6.03,;-6.77,-5.26,;-6.77,-3.72,;-5.44,-2.95,;-4.1,-3.72,;-2.77,-2.95,;-2.77,-1.41,;-1.68,-.32,;-2.77,.77,;-3.86,1.86,;-2.77,2.95,;-1.68,1.86,;-2.77,4.49,;-1.44,5.26,;-1.44,6.8,;-.1,7.57,;1.23,6.8,;1.23,5.26,;-.1,4.49,;2.56,4.49,;2.56,2.95,;3.9,2.18,;5.23,2.95,;5.23,4.49,;6.77,4.49,;6.32,5.58,;3.9,5.26,;-3.86,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CCC(F)(F)CC2)C1 |r,wD:10.10,12.12,14.17,(-2.77,-7.57,;-2.77,-6.03,;-1.44,-5.26,;-4.1,-5.26,;-5.44,-6.03,;-6.77,-5.26,;-6.77,-3.72,;-5.44,-2.95,;-4.1,-3.72,;-2.77,-2.95,;-2.77,-1.41,;-1.68,-.32,;-2.77,.77,;-3.86,1.86,;-2.77,2.95,;-1.68,1.86,;-2.77,4.49,;-1.44,5.26,;-1.44,6.8,;-.1,7.57,;1.23,6.8,;1.23,5.26,;-.1,4.49,;2.56,4.49,;2.56,2.95,;3.9,2.18,;5.23,2.95,;6.77,2.95,;6.32,1.86,;5.23,4.49,;3.9,5.26,;-3.86,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CCC(F)(F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CCC(F)CC2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CCCC(F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CCC(CC2)C(F)(F)F)C1 |r,wD:10.10,12.12,14.17,(-3.33,-7.57,;-3.33,-6.03,;-2,-5.26,;-4.67,-5.26,;-6,-6.03,;-7.34,-5.26,;-7.34,-3.72,;-6,-2.95,;-4.67,-3.72,;-3.33,-2.95,;-3.33,-1.41,;-2.25,-.32,;-3.33,.77,;-4.42,1.86,;-3.33,2.95,;-2.25,1.86,;-3.33,4.49,;-2,5.26,;-2,6.8,;-.67,7.57,;.67,6.8,;.67,5.26,;-.67,4.49,;2,4.49,;2,2.95,;3.33,2.18,;4.67,2.95,;4.67,4.49,;3.33,5.26,;6,2.18,;7.34,2.95,;6,.64,;7.34,1.41,;-4.42,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)-c2cccc(c2)C#N)C1 |r,wD:10.10,12.12,14.17,(-3.33,-7.57,;-3.33,-6.03,;-2,-5.26,;-4.67,-5.26,;-6,-6.03,;-7.34,-5.26,;-7.34,-3.72,;-6,-2.95,;-4.67,-3.72,;-3.33,-2.95,;-3.33,-1.41,;-2.25,-.32,;-3.33,.77,;-4.42,1.86,;-3.33,2.95,;-2.25,1.86,;-3.33,4.49,;-2,5.26,;-2,6.8,;-.67,7.57,;.67,6.8,;.67,5.26,;-.67,4.49,;2,4.49,;2,2.95,;3.33,2.18,;4.67,2.95,;4.67,4.49,;3.33,5.26,;6,5.26,;7.34,6.03,;-4.42,-.32,)|
CN(C)C(=O)c1cccc(c1)-c1nccc(N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2ncccc2C(N)=O)n1 |r,wD:22.26,19.22,17.17,(4.67,7.57,;6,6.8,;7.34,7.57,;6,5.26,;7.34,4.49,;4.67,4.49,;4.67,2.95,;3.33,2.18,;2,2.95,;2,4.49,;3.33,5.26,;.67,5.26,;.67,6.8,;-.67,7.57,;-2,6.8,;-2,5.26,;-3.33,4.49,;-3.33,2.95,;-4.42,1.86,;-3.33,.77,;-2.25,1.86,;-2.25,-.32,;-3.33,-1.41,;-4.42,-.32,;-3.33,-2.95,;-4.67,-3.72,;-6,-2.95,;-7.34,-3.72,;-7.34,-5.26,;-6,-6.03,;-4.67,-5.26,;-3.33,-6.03,;-3.33,-7.57,;-2,-5.26,;-.67,4.49,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CC(F)(F)C2)C1 |r,wD:10.10,12.12,14.17,(-2.35,-7.57,;-2.35,-6.03,;-1.02,-5.26,;-3.69,-5.26,;-5.02,-6.03,;-6.35,-5.26,;-6.35,-3.72,;-5.02,-2.95,;-3.69,-3.72,;-2.35,-2.95,;-2.35,-1.41,;-1.26,-.32,;-2.35,.77,;-3.44,1.86,;-2.35,2.95,;-1.26,1.86,;-2.35,4.49,;-1.02,5.26,;-1.02,6.8,;.31,7.57,;1.65,6.8,;1.65,5.26,;.31,4.49,;2.98,4.49,;3.38,3,;4.87,3.4,;5.27,1.91,;6.35,3.8,;4.47,4.89,;-3.44,-.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)N2CC[C@H](F)C2)C1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@@]2(C[C@@H](C2)Nc2ccnc(n2)-c2cccc(F)c2)C1 |r|
COc1ccc2-c3nc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)c(F)c4)sc3CCc2c1
COc1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
CC(C)(O)COc1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cc1nn(C)cc1-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cc1n[nH]c(C)c1-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3s2)-c2cc(n[nH]2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC2CC2)cc1Cl
COc1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2cn3cc(Br)ccc3n2)cc1Cl
Cn1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)c2cccnc12
CC(=O)c1cccnc1Oc1ccc(CC(=O)NC2=NN=C(C2)c2cnccn2)cc1F |c:21,t:19|
Cc1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1-c1ccccn1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cccc(F)n1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(F)cn1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1F
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccccc1
Cn1ccc(cc1=O)-c1csc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)n1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2cc[nH]c(=O)c2)cc1F
COC(=O)Nc1cc(ccn1)-c1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1C
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(=O)n(C)c1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(=O)n(c1)C(F)F
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)nc1-c1cccc(C)n1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(C3CCC3)c(s2)-c2ccccn2)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3s2)-c2cc[nH]c(=O)c2)cc1F
Cn1ccc(cc1=O)-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cn1cc(c(n1)C1CC1)-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cc1[nH]nc(c1C)-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cc1cc(-c2ccc3sc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)c(F)c4)nc3c2)n(C)n1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3s2)-c2cnn(c2)C(F)F)cc1F
Cn1nccc1-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3s2)-c2cn[nH]c2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3s2)-c2c[nH]nc2C(F)(F)F)cc1F
Cn1ccc(n1)-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cn1cc(cn1)-c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cn1cc(cn1)-c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)cn2c1
Cn1cc(cn1)-c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(Cl)c3)cn2c1
Cn1cc(cn1)-c1ccc2n(CC(F)(F)F)c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
CN1CCN(CC1)c1ncc(cn1)-c1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1C
COc1ncc(cn1)-c1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1C
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cncnc1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cnc(nc1)C(C)(C)O
COc1cccc(n1)-c1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1C
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccncc1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cccc(n1)C#N
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1C1CC1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(cc1)S(C)(=O)=O
CC(C)S(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1C
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccc(C)c(Cl)c1
COc1ccc(cc1OC)-c1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)sc1C
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1
COc1ccc2-c3nc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)cc4)sc3CCc2c1
Cc1nsc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)n1
COc1cc(C#N)c2n(ccc2c1)C(=O)Cc1ccc(Oc2ncccc2C(N)=O)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2ccc3OCCOc3c2)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nnc(s2)-c2ccccc2)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)N2CCc3cc(OCc4ccccc4)ccc23)cc1
Cc1sc(nc1-c1ccccc1)C(=O)Cc1ccc(Oc2ncccc2C(N)=O)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2cccc3oc(=O)ccc23)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2cccc(OC(F)(F)F)c2)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2cccc(c2)C#N)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(cs2)-c2cccc(F)c2)cc1
COC(=O)c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
NC(=O)c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)sc2c1
COc1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)sc2c1
Cc1ccc2[nH]c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
COC(=O)c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)sc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3[nH]2)C#N)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3[nH]2)C(=O)c2ccccc2)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cccc(Cl)c3[nH]2)cc1
COC(=O)c1ccc2n(C)c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
Cn1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)c2ccccc12
CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)sc2c1
Cc1cccc(Nc2ncnc3ccc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)cc4)cc23)c1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)cc2)nc1-c1ccc(F)cc1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2Cc2ccccc2)cc1Cl
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)nc1-c1ccccc1F
Cc1nc2sccn2c1-c1csc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)n1
COc1cccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(Cl)c3)nc12
COc1cccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc12
CN1CCc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2C1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(F)nc1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccnn1C
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccccn1
Cc1cnc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)s1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccnc(C)n1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nnc(s2)-c2cccnc2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nnc(s2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nnc(s2)C2CC2)cc1F
COc1ccc(Cc2nnc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)s2)cc1OC
COc1cccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc12
CN1CCC(CC1)Oc1ccc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)cc1
Cc1cccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nn12
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nnc(s2)-c2ccncc2)cc1F
Cc1nc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)sc1C
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2ccn(CC(F)(F)F)n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2ccn(n2)-c2ccc(cn2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc(ns2)C2CC2)cc1F
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)nc1-c1cccnc1F
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)nc1-c1ccc(F)nc1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)nc1-c1cnn(C)c1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(Cl)c2)nc1-c1ccc(Cl)nc1
COc1ccc2-c3nc(NC(=O)C(C)c4ccc(Oc5ncccc5C(N)=O)cc4)sc3CCc2c1
CC(C)(O)COc1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
CC(C)(O)COc1ccc2-c3nc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)cc4)sc3CCc2c1
CC(C)(O)COc1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)sc2c1
CC(C)(O)COc1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC(F)F)cc1F
CC(C)(O)COc1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(Cl)c3)nc2c1
CC(C)(O)COc1ccc2-c3nc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)c(Cl)c4)sc3CCc2c1
CC(C)(O)COc1ccc2CCN(C(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)c2c1
COc1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(Cl)c3)nc2c1
COc1ccc2-c3nc(NC(=O)Cc4ccc(Oc5ncccc5C(N)=O)c(Cl)c4)sc3CCc2c1
COc1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(OC)c3)nc2c1
COc1cc(CC(=O)Nc2nc3cc(OCC(C)(C)O)ccc3s2)ccc1Oc1ncccc1C(N)=O
COc1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(Br)c3)nc2c1
COc1ccc2n(CC(F)F)c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(OC(F)F)nc3s2)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2n[nH]c3ccccc23)cc1Cl
COc1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n(CC(F)F)c2c1
COc1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)cc3)nc2c1
COc1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(Cl)c3)nc2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cccc(n3n2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(F)cccn3n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(F)cn3n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(cn3n2)C(F)(F)F)cc1F
Cc1cc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nn2cc1C
Cc1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nn2c1C
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccn3n2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2cn3cc(ccc3n2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(Br)ccn3n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccn3n2)-c2cnn(c2)C(F)F)cc1F
Cc1nn(C)cc1-c1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cn1nccc1-c1ccn2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
Cn1nccc1-c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nn2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(OC(F)F)cccn3n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cn3n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(cccn3n2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(F)ccn3n2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(OCc4ccccc4)ccn3n2)cc1F
Cn1cc(cn1)-c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n(CC3CC3)c2c1
CP(C)(=O)c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n(CC3CC3)c2c1
CP(C)(=O)c1ccc2sc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
CP(C)(=O)c1cccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nn12
CP(C)(=O)c1ccc2n(CC(F)(F)F)c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
CP(C)(=O)c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)cn2c1
CP(C)(=O)c1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n(CC(F)F)c2c1
Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cccc(C)n1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC2CCC2)cc1F
CC(C)n1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccccc12
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CCC(F)(F)F)cc1F
COCCn1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccccc12
COCCn1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2cc(ccc12)C(N)=O
COCCn1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccc(OC)cc12
COCCn1c(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc2ccc(cc12)C(N)=O
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC2CCOCC2)cc1F
COc1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n(CC3CC3)c2c1
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(F)cccc3n2CC2CC2)cc1F
COc1ccc2n(CC3CC3)c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc2c1
COc1cccc2n(CC3CC3)c(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)nc12
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cccc(F)c3n2CC2CC2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(F)ccc3n2CC2CC2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(F)cc3n2CC(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccccc3n2CC2CC2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(F)cc3n2CC2CC2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(F)cccc3n2CC(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(OCc4ccccc4)cc3n2CC2CC2)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(F)cccc3n2CC2CC2)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(F)cc3n2CC2CC2)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3c(F)cccc3n2CC(F)F)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(F)ccc3n2CC2CC2)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(cc3n2CC2CC2)C(F)(F)F)cc1F
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3ccc(cc3n2CC2CC2)C(F)(F)F)cc1Cl
NC(=O)c1cccnc1Oc1ccc(CC(=O)Nc2nc3cc(ccc3n2CC2CC2)C(F)(F)F)cc1Cl
CC(C)(O)COc1ccc2nc(NC(=O)Cc3ccc(Oc4ncccc4C(N)=O)c(F)c3)n(CC3CC3)c2c1
COc1cccc(c1)C(CCO)NC(=O)c1ccnc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCO)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCO)NC(=O)c1cncc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCO)NC(=O)c1cc(ccn1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
OCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1
COc1cccc(c1)C(CCN)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CCN(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CN(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1ccc(F)c(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cc(F)cc(c1)-c1ccc2[nH]ncc2c1
OCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
COc1cccc(c1)C(CN1CCCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cc(ccc1F)-c1ccc2[nH]ncc2c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cc(F)ccc1F
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cc(F)cc(F)c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1ccc(F)c(F)c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1F
OCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1ccccc1F
COc1cccc(CNC(=O)c2cccc(c2)-c2ccc3[nH]ncc3c2)c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1
NCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(F)c1
Fc1cccc(c1)C(CN1CCCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CO)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(N)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(N)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COCCC(NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1)c1cccc(OC)c1
COc1cccc(c1)C(CN1CCNCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]ncc2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(cc2CNCc12)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(cc2cccnc12)-c1ccc2[nH]nc(C)c2c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(C)c1
COc1cccc(c1)C(CN(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN1CCCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CNC(C)C)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(CN2CCCC2)cc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(C)c2c1
NCC(NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(F)c2c1)c1cccc(F)c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(F)c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(Cl)c1
COc1cccc(c1)C1(CCNC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C1(CCNC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C1(CCNC1)NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC(F)F)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC(F)(F)F)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ccc1OC)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(OC)cc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN1CCNCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1
COc1cccc(c1)C(CN1CCNCC1)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(cc(c1)-c1ccc2[nH]nc(C)c2c1)C#N
COc1cccc(c1)C(CN)NC(=O)c1cc(CN2CCCC2)cc(c1)-c1ccc2[nH]nc(F)c2c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CO)c1cccc(F)c1
OCC(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1)c1cccc(F)c1
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(F)c1F
NCC(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(F)c2c1)c1cccc(F)c1F
Cc1n[nH]c2ccc(cc12)-c1cccc(c1)C(=O)NC(CN)c1cccc(OC2CC2)c1
COc1cccc(c1)C(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1)C(C)(C)N
CNCC(NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1)c1cccc(OC)c1
CNCC(NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(C)c2c1)c1cccc(OC)c1
Cc1n[nH]c2ccc(cc12)-c1ccnc(c1)C(=O)NC(CN)c1cccc(C)c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C3CC3)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cc(ncn1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CNC(C)C)NC(=O)c1cc(ccn1)-c1ccc2[nH]nc(C)c2c1
COc1cccc(c1)C(CN)NC(=O)c1cccc(c1)-c1cc(OC)c2[nH]ncc2c1
COc1cccc(c1)C(CNS(C)(=O)=O)NC(=O)c1cccc(c1)-c1ccc2[nH]nc(C)c2c1
CC(C)NC(=O)c1cc2ccc(cc2o1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)C1COc2ccc(cc2O1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1ccc2cc(sc2c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CNC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C)C(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CC1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCCCC1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCOC1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCC(CC1)NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)cc(OCCN(C)C)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccn(CCN(C)C)c2n1
CC(C)NC(=O)c1ccc2cc([nH]c2c1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
COC(=O)c1ccc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1
Cn1cc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)c2occc2n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CC(NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)c1ccccc1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2ccsc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2cc[nH]c2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2scnc2n1
O=C(NC1CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cnoc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cnccn1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncn1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cccnc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccnnc1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CC(CO)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccc2[nH]ncc2c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cn[nH]c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)(C)OC(=O)n1cc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
O=C(Nc1ccccc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C)c1ccc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CN1CCN(CC(=O)n2ccc3ccc(cc23)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)CC1
O=C(Nc1nncs1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)(C)OC(=O)n1ncc2cc(NC(=O)c3cc4ccc(cc4[nH]3)-c3nccc(Nc4ccc5[nH]ncc5c4)n3)ccc12
O=C(Nc1cnc2[nH]ccc2c1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1c[nH]c2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C)c1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)C1Cc2ccc(cc2N1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CNC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)OC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(Nc1ccccn1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CC(C)NC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
COc1ccc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CN1CCC(CC1)n1cc(NC(=O)c2cc3ccc(cc3[nH]2)-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cn1
CN1CCC(CC1)N1CCC(CC1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCC(CC1)N1CCCC(C1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCN(CC1)C1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCC2(CC1)CCN(CC2)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1ccc2ccc(cc2n1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CCN(CC)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(NC1CCOC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(NC1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN1CCC(C1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN1CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1COC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C(CO)CO)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1CCNC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC2(CCNCC2)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CC2CNCC2C1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CC2(CNC2)C1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
Clc1cnccc1NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnccc1NC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CNC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
CN(C1CCOCC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COC(=O)C(Cc1c[nH]cn1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(NC1CCCN(C1)C1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN(C1CCOC1)C(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1ccncc1)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Nc1cccnc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CC(C1)C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
NC(=N)N1CCC2(CC1)CCN(CC2)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(Oc1ccccc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
O=C(N1CCC2(CCNCC2)CC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CNC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CN(C)C(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
CCNC(=O)c1cc2cc(ccc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CCNC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CCN(CCO)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1CC(O)C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |(8.01,1.26,;8.01,-.28,;9.34,-1.05,;9.74,-2.54,;11.23,-2.14,;12.56,-2.91,;10.83,-.65,;6.67,-1.05,;6.67,-2.59,;5.34,-.28,;5.18,1.25,;3.67,1.57,;2.9,2.91,;1.36,2.91,;.59,1.57,;1.36,.24,;2.9,.24,;3.93,-.9,;-.95,1.57,;-1.72,2.91,;-3.26,2.91,;-4.03,1.57,;-3.26,.24,;-4.03,-1.09,;-5.57,-1.09,;-6.34,-2.43,;-7.88,-2.43,;-8.65,-1.09,;-7.88,.24,;-6.34,.24,;-10.19,-1.09,;-11.09,-2.34,;-12.56,-1.86,;-12.56,-.32,;-11.09,.15,;-1.72,.24,)|
CN(C1CCOC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C1CCC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1ccncc1
O=C(NC1CCOC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
O=C(NC1CCC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
O=C(N1CCC2(CCNCC2)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2ccc(cc2[nH]1)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC(F)(F)F)C(=O)c1cc2cc(ccc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CC#N)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC1COCCN1C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)(F)C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
OC1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
OC1CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
CC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(CCC#N)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)(F)C1CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC(CC1)C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC(C1)C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
FC1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)(F)CNC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(NC(=O)c1cc2ccc(cc2n1C)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(F)(F)F
CC1(CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C#N
O=C(N1CCCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCC2(CCN2)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CS(=O)(=O)C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
FC1CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
F[C@H]1CN(C[C@H]1F)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
FC1(F)CCN(CC1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC11CCN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1CC(C1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1 |(12.56,-3.48,;11.23,-2.71,;9.74,-3.11,;9.34,-1.62,;10.83,-1.22,;8.01,-.85,;6.67,-1.62,;6.67,-3.16,;5.34,-.85,;5.18,.68,;3.67,1,;2.9,2.34,;1.36,2.34,;.59,1,;1.36,-.33,;2.9,-.33,;3.93,-1.48,;-.95,1,;-1.72,-.33,;-3.26,-.33,;-4.03,-1.67,;-5.57,-1.67,;-6.34,-.33,;-7.88,-.33,;-8.65,-1.67,;-7.88,-3,;-6.34,-3,;-10.19,-1.67,;-11.09,-2.91,;-12.56,-2.44,;-12.56,-.9,;-11.09,-.42,;-4.03,1,;-5.54,1.32,;-5.7,2.85,;-4.29,3.48,;-3.26,2.34,;-1.72,2.34,)|
FC1(F)C2CN(CC12)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1CCS(=O)(=O)CC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
ON=C1CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |(12.56,.65,;11.23,1.42,;9.89,.65,;9.49,-.84,;8.01,-.44,;8.4,1.05,;6.67,-1.21,;6.67,-2.75,;5.34,-.44,;5.18,1.09,;3.67,1.41,;2.9,2.75,;1.36,2.75,;.59,1.41,;1.36,.08,;2.9,.08,;3.93,-1.06,;-.95,1.41,;-1.72,2.75,;-3.26,2.75,;-4.03,1.41,;-3.26,.08,;-4.03,-1.25,;-5.57,-1.25,;-6.34,.08,;-7.88,.08,;-8.65,-1.25,;-7.88,-2.59,;-6.34,-2.59,;-10.19,-1.25,;-11.09,-2.5,;-12.56,-2.02,;-12.56,-.48,;-11.09,-.01,;-1.72,.08,)|
O=C(N1CC(C1)C#N)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC(O)(C1)C(F)(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC(C1)C(F)(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC2C(C1)C2(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CCC2(CC2(F)F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@H](F)[C@H](F)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(C1)=CC#N |(4.2,-3.43,;4.6,-1.94,;6.01,-1.31,;5.84,.22,;4.34,.54,;3.57,1.87,;2.03,1.87,;1.26,.54,;2.03,-.8,;3.57,-.8,;-.28,.54,;-1.05,1.87,;-2.59,1.87,;-3.36,.54,;-2.59,-.8,;-3.36,-2.13,;-4.9,-2.13,;-5.67,-.8,;-7.21,-.8,;-7.98,-2.13,;-7.21,-3.46,;-5.67,-3.46,;-9.52,-2.13,;-10.43,-3.38,;-11.89,-2.9,;-11.89,-1.36,;-10.43,-.88,;-1.05,-.8,;7.34,-2.08,;7.34,-3.62,;8.67,-1.31,;10.16,-1.71,;10.56,-.23,;9.07,.17,;11.89,.54,;11.89,2.08,;11.89,3.62,)|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(C1)C#C
CC(=O)C1CN(C1)C(=O)c1cc2ccc(cc2n1C)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@@H](O)[C@H](F)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@@H](F)[C@H](Br)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1C[C@@H](O)[C@@H](F)C1 |r|
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(O)(C1)C(F)(F)F
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(CF)C1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2s1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
Cn1c(cc2ccc(cc12)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
O=C(Oc1ccccc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(C1)C(F)(F)F
O=C(C1CC2(C1)CCNCC2)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1cc(ccc1Nc1ccnc(n1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1)-c1cn[nH]c1
O=C(OC1CCNC1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN1CCC(C1)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)N1CCN(CC1)C1COC1
CC(C)(C)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(OCc1ccccc1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(C1CCOCC1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
OC1CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |(8.95,-4.61,;8.95,-3.07,;7.86,-1.98,;8.95,-.89,;10.04,-1.98,;8.95,.65,;10.28,1.42,;7.61,1.42,;7.45,2.95,;5.95,3.27,;5.18,4.61,;3.64,4.61,;2.87,3.27,;3.64,1.94,;5.18,1.94,;6.21,.79,;1.33,3.27,;.56,4.61,;-.98,4.61,;-1.75,3.27,;-.98,1.94,;-1.75,.61,;-3.29,.61,;-4.06,-.73,;-5.6,-.73,;-6.37,.61,;-5.6,1.94,;-4.06,1.94,;-7.91,.61,;-8.82,-.64,;-10.28,-.16,;-10.28,1.38,;-8.82,1.85,;.56,1.94,)|
FC1(F)CC(C1)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2[nH]ccc2n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cc[nH]c2n1
NC(=O)c1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
OC(=O)c1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
CC1(CC(F)(F)C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc3[nH]ncc3c2)c2sccc2n1
FC1(F)CC(C1)OC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2[nH]1)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc([nH]c2c1)C(=O)N1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2sccc2n1
Cc1[nH]ncc1-c1ccc(Nc2nc(ncc2F)-c2ccc3CN(Cc3c2)C(=O)C2CC(F)(F)C2)cc1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CCOCC1
CC(=O)N1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(CC3CC(F)(F)C3)C(=O)c2c1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(CCc2c1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
O=C(CC1CCOC1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cc(ccc1Nc1nc(ncc1F)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1)-c1cn[nH]c1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)OC1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2CN(Cc2c1)C(=O)OC1CC(F)(F)C1
COCn1c(cc2ccc(cc12)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2N(CCc2c1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)OC(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC1(CC(F)(F)C1)C(=O)N1Cc2ccc(cc2C1)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
COCn1c(cc2ccc(cc12)-c1nc2CNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
O=C(OC1CC2(CNC2)C1)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC1(CC(F)(F)C1)C(=O)N1CCc2ccc(cc2C1)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CCC(CC1)OC(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CCN(Cc2c1)C(=O)C1CCC(F)(F)CC1
COCc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(sc2c1)C(=O)N1CC(F)(F)C1
CC1(CC(F)(F)C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC(F)Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1ncc(c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(F)(F)F)C(=O)N1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(-c3cn[nH]c3)c(F)c2)n1)-n1ccnc1
COCn1c(cc2ccc(cc12)-c1ncnc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
COc1cc(Nc2ccc3[nH]ncc3c2)nc(n1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
COc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
O=C(NC1CCN(CC1)c1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
N(c1ccc2[nH]ncc2c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nc2ccccc2o1
CCN(CC)C(=O)c1cc2ccc(cc2[nH]1)-c1ncc(OC)c(Nc2ccc(cc2)-c2cn[nH]c2)n1
N(c1ccc(cc1)-c1cn[nH]c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nccs1
O=C(Nc1ccncc1C#N)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Ic1cnccc1NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
COc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)C(=O)N(C)C)ccc1-c1cn[nH]c1
O=C(NC1CCCN(C1)c1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)C(=O)Nc1ccncc1Cl
CN(C)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(-c3cn[nH]c3)c(F)c2)n1
Fc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)C(=O)N2CC(F)(F)C2)ccc1-c1cn[nH]c1
Clc1cnc(nc1Nc1ccc2[nH]ncc2c1)-c1ccc2cc([nH]c2c1)C(=O)Nc1ccnnc1
Clc1cnccc1N1CCC(CC1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
Clc1cnccc1N1CCC(CC1)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
C[C@@H](NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)c1ccc(nc1)C(F)(F)F |r|
C[C@@H](NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)c1ccncc1 |r|
C[C@@H](NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1ccncc1 |r|
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2OCCOc2n1)C(=O)N1CC(F)(F)C1
OC[C@H]1CN(CCO1)C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
OC[C@@H]1COCCN1C(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
C[C@H](CN)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
C[C@@H](CN)NC(=O)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
CC(C)NC(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccccc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)cc(OCCN(C)C)n1
COc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc([nH]c2c1)C(=O)N(C)CC(F)(F)F
N(c1ccc(cc1)-c1cn[nH]c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1ncccn1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)-n1ccnc1
O=C(NC1CCCC(C1)N1CCOCC1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
N(c1ccc2[nH]ncc2c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nc2ccccc2s1
O=C(NC1CCCN(C1)c1ccncc1)c1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Clc1cnccc1N1CCC(CC1)NC(=O)c1cc2ccc(cc2s1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CC(C)NC(=O)c1cc2ccc(cc2[nH]1)-c1nc(Cc2ccccc2)cc(Nc2ccc3[nH]ncc3c2)n1
Cc1cc2ccc(cc2[nH]1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CCn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(-c3cn[nH]c3)c(F)c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc3[nH]ncc3c2)n1)C(=O)N1CC(F)(F)C1
Fc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)-c2nccs2)ccc1-c1cn[nH]c1
COc1cc(Nc2ccnc(n2)-c2ccc3cc(C(=O)N4CC(F)(F)C4)n(C)c3c2)ccc1-c1cn[nH]c1
COc1cc(Nc2ccnc(n2)-c2ccc3cc([nH]c3c2)-c2nccs2)ccc1-c1cn[nH]c1
COc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc([nH]c2c1)C(=O)N1CC(F)(F)C1
COc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccccc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)-c1nccs1
COCn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
COCCn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
FC1(F)CN(C1)C(=O)c1cc2ccc(cc2n1C=C)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1ncc(F)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(nc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cn2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
N(c1ccc(nc1)-c1cn[nH]c1)c1ccnc(n1)-c1ccc2cc([nH]c2c1)-c1nccs1
Cn1c(cc2ccc(cc12)-c1nccc(Nc2ccc(cc2O)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1ccc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c12)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2ccsc2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2cccn2n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1ncc(Cl)c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
FC1(F)CC(C1)NC(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
Cn1c(cc2ccc(cc12)-c1nc2CNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
CN1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1ccc2cc(C(=O)N3CC(F)(F)C3)n(C)c2c1
Cc1[nH]ncc1-c1ccc(Nc2ccnc(n2)-c2ccc3cc(C(=O)N4CC(F)(F)C4)n(C)c3c2)cc1
FC1(F)CN(C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1CCc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CN(C1)C(=O)N1CCc2cc(ccc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cn1c(cc2ccc(cc12)-c1nc2CCCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(=O)N1CC(F)(F)C1
CN1Cc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
O=C(N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1cccnc1
O=C(N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1)c1ccncc1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc3[nH]ncc3c2)n1
CN1CCC[C@H]1C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1 |r|
CN1CCc2nc(sc2C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
CN(C)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc(Nc2ccc(cc2)-c2cn[nH]c2)c2occc2n1
Fc1cnc(nc1Nc1ccc(cc1)-c1cn[nH]c1)-c1ccc2CN(Cc2c1)C(=O)C1CC(F)(F)C1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cn2)-c2cn[nH]c2)n1
CC(O)C(=O)N1Cc2ccc(cc2C1)-c1nccc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1cncc(Nc2ccc(cc2)-c2cn[nH]c2)n1
FC1(F)CC(C1)C(=O)N1Cc2ccc(cc2C1)-c1nc2CNCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnc3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cnccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnc3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3cc(cs3)C(=O)NCc3ncccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Fc1c(NC(=O)[C@@H]2CC2c2ccc(cc2)S(=O)(=O)Nc2cccnc2)ccc2cnccc12 |r|
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
Fc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1ccc(NS(=O)(=O)c2ccc(cc2)C2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1c(NC(=O)[C@@H]2CC2c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc2cnccc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1cccnc1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3cncc(n3)C3=CCNCC3)cc12 |r,t:34|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC1CCNCC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCNC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)N1CCNCC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCNC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NCC1CCNCC1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NCc1cccnc1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccc1 |r|
Fc1cnc(NS(=O)(=O)c2ccc(cc2)C2C[C@H]2C(=O)Nc2ccc3cncc(C#N)c3c2)nc1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)NC3CCNC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3cncc(n3)C3CCNCC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)NC3CCCNC3)cc12 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
NC(=N)NS(=O)(=O)c1ccc(cc1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3cccnn3)cc12 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)C(=O)Nc1cccnn1 |r|
O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1cccnn1 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
Fc1cc(ccc1S(=O)(=O)Nc1ccccn1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1 |r|
Fc1ccc(c(c1)C1C[C@H]1C(=O)Nc1ccc2cnccc2c1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
CN(C)Cc1ccc(NC(=O)c2cccc(c2)[C@@H]2C[C@H]2C(=O)Nc2ccc3cncc(Cl)c3c2)nc1 |r|
CCCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
NCc1ccnc(NS(=O)(=O)c2ccc(cc2)C2CC2C(=O)Nc2ccc3cncc(Cl)c3c2)c1
O=C(Nc1ccc2cncc(C3CC3)c2c1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
Fc1ccc(NS(=O)(=O)c2ccc(cc2)[C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)cncc3s2)nc1 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3nccs3)cc12 |r|
Clc1cncc2ccc(NC(=O)CCc3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12
Cc1cncc2ccc(NC(=O)CCc3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
FC1(F)CNCCC1NS(=O)(=O)c1ccc(cc1)[C@@H]1C[C@H]1C(=O)Nc1ccc2cncc(Cl)c2c1 |r|
Clc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NCC3CCCCN3)cc12 |r|
Cc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)ccc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cncc(CC#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)Nc1ncccn1 |r|
FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
FC(F)(F)Oc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
CCCc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
CCc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(cc3)S(=O)(=O)Nc3ncc(cn3)C3CCNCC3)cc12 |r|
COc1nccc2cc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)ccc12 |r|
FC(F)(F)Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccccn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3cccc(c3)C(=O)NCc3ncccn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
O=C(Nc1ccc2cncc(C#N)c2c1)[C@@H]1CC1c1ccc(cc1)S(=O)(=O)NC[C@@H]1CCCNC1 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)NC[C@@H]3CCCNC3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncc(F)cn3)cc12 |r|
FC(F)(F)c1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ncccn3)cc12 |r|
Cc1cncc2ccc(NC(=O)[C@@H]3CC3c3ccc(cc3)S(=O)(=O)Nc3ccc(F)cn3)cc12 |r|
CC(C)C[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:13.15,11.11,9.8,4.3,(-1.31,9.16,;-.4,7.92,;1.13,8.08,;-1.03,6.51,;-.12,5.26,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CCCCC2)C1=O |r,wD:15.19,12.15,10.10,(1.98,-7.64,;.65,-8.41,;.65,-9.95,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;1.73,-2.7,;.65,-1.61,;-.44,-2.7,;-.44,-.52,;.65,.57,;1.73,-.52,;.65,2.11,;1.89,3.01,;3.36,2.54,;1.42,4.48,;-.12,4.48,;-1.03,5.73,;-.4,7.13,;1.13,7.29,;1.75,8.7,;.85,9.95,;-.68,9.79,;-1.31,8.38,;-.6,3.01,;-2.07,2.54,)|
NC(=O)c1cccnc1OC1CC2(C1)CC(C2)N1C(=O)CN(C1=O)c1ccccc1 |(1.28,-6.85,;-.06,-7.62,;-.06,-9.16,;-1.39,-6.85,;-2.72,-7.62,;-4.06,-6.85,;-4.06,-5.31,;-2.72,-4.54,;-1.39,-5.31,;-.06,-4.54,;-.06,-3,;-1.14,-1.91,;-.06,-.82,;1.03,-1.91,;-1.14,.26,;-.06,1.35,;1.03,.26,;-.06,2.89,;-1.3,3.8,;-2.77,3.32,;-.83,5.26,;.71,5.26,;1.19,3.8,;2.66,3.32,;1.62,6.51,;3.15,6.35,;4.06,7.59,;3.43,9,;1.9,9.16,;.99,7.92,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCC2CCCCC2)C1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCc2ccccc2)C1=O |r|
CC(C)(C)C1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:9.8,11.10,13.15,(-.4,8.54,;-1.03,7.13,;-2.56,6.97,;.5,7.29,;-.12,5.89,;1.42,5.89,;1.89,4.42,;3.36,3.95,;.65,3.52,;.65,1.98,;-.44,.89,;.65,-.2,;1.73,-1.29,;.65,-2.38,;-.44,-1.29,;.65,-3.92,;-.69,-4.69,;-2.02,-3.92,;-3.36,-4.69,;-3.36,-6.23,;-2.02,-7,;-.69,-6.23,;.65,-7,;1.98,-6.23,;.65,-8.54,;1.73,.89,;-.6,4.42,;-2.07,3.95,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC2(CCCC2)C1=O |r,wD:15.19,12.15,10.10,(1.98,-6.09,;.65,-6.86,;.65,-8.4,;-.69,-6.09,;-2.02,-6.86,;-3.36,-6.09,;-3.36,-4.55,;-2.02,-3.78,;-.69,-4.55,;.65,-3.78,;.65,-2.24,;1.73,-1.15,;.65,-.06,;-.44,-1.15,;-.44,1.03,;.65,2.12,;1.73,1.03,;.65,3.66,;1.89,4.56,;3.36,4.09,;1.42,6.03,;-.12,6.03,;.35,7.49,;-.89,8.4,;-2.14,7.49,;-1.66,6.03,;-.6,4.56,;-2.07,4.09,)|
CC(C)(C)OCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:11.10,13.12,15.17,(-.68,9.87,;-1.31,8.46,;-2.84,8.3,;-2.21,9.7,;-.4,7.21,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;1.98,-7.56,;.65,-9.87,;1.73,-.44,;-.6,3.1,;-2.07,2.62,)|
NC(=O)c1cccnc1OC1CC2(C1)CC(C2)N1C(=O)CN(Cc2ccccc2)C1=O |(1.98,-7.64,;.65,-8.41,;.65,-9.95,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;-.44,-2.7,;.65,-1.61,;1.73,-2.7,;-.44,-.52,;.65,.57,;1.73,-.52,;.65,2.11,;-.6,3.01,;-2.07,2.54,;-.12,4.48,;1.42,4.48,;2.32,5.73,;1.69,7.13,;2.6,8.38,;1.97,9.79,;.44,9.95,;-.46,8.7,;.16,7.29,;1.89,3.01,;3.36,2.54,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(CCc2ccccc2)C1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCc2ccccc2)C1=O |r|
CC(C)CN1CC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:9.8,11.10,13.15,(2.6,9.16,;1.69,7.92,;.16,8.08,;2.32,6.51,;1.42,5.26,;-.12,5.26,;-.6,3.8,;-2.07,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;1.89,3.8,;3.36,3.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC#C)C1=O |r,wD:10.10,12.12,15.19,(1.98,-6.93,;.65,-7.7,;.65,-9.24,;-.69,-6.93,;-2.02,-7.7,;-3.36,-6.93,;-3.36,-5.39,;-2.02,-4.62,;-.69,-5.39,;.65,-4.62,;.65,-3.08,;1.73,-1.99,;.65,-.9,;-.44,-1.99,;-.44,.18,;.65,1.27,;1.73,.18,;.65,2.81,;1.89,3.72,;3.36,3.24,;1.42,5.18,;-.12,5.18,;-1.03,6.43,;-.4,7.84,;.22,9.24,;-.6,3.72,;-2.07,3.24,)|
CC(C)(C)OC(=O)NCCCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:20.22,18.18,16.15,(-.05,11.2,;-.63,9.78,;.3,8.54,;.9,9.97,;-2.16,9.61,;-2.78,8.21,;-4.32,8.05,;-1.88,6.96,;-2.51,5.55,;-1.6,4.31,;-.07,4.47,;.84,3.22,;2.38,3.22,;2.85,1.76,;4.32,1.28,;1.61,.85,;1.61,-.69,;.52,-1.77,;1.61,-2.86,;2.69,-3.95,;1.61,-5.04,;.52,-3.95,;1.61,-6.58,;.27,-7.35,;-1.06,-6.58,;-2.4,-7.35,;-2.4,-8.89,;-1.06,-9.66,;.27,-8.89,;1.61,-9.66,;2.94,-8.89,;1.61,-11.2,;2.69,-1.77,;.36,1.76,;-1.1,1.28,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC2(CCC2)C1=O |r,wD:10.10,12.12,15.19,(1.98,-5.85,;.65,-6.62,;.65,-8.16,;-.69,-5.85,;-2.02,-6.62,;-3.36,-5.85,;-3.36,-4.31,;-2.02,-3.54,;-.69,-4.31,;.65,-3.54,;.65,-2,;1.73,-.91,;.65,.18,;-.44,-.91,;-.44,1.27,;.65,2.36,;1.73,1.27,;.65,3.9,;1.89,4.81,;3.36,4.33,;1.42,6.27,;-.12,6.27,;.27,7.76,;-1.21,8.16,;-1.61,6.67,;-.6,4.81,;-2.07,4.33,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)C2CCCCN2C1=O |r,wD:10.10,12.12,15.19,(1.98,-6.24,;.65,-7.01,;.65,-8.55,;-.69,-6.24,;-2.02,-7.01,;-3.36,-6.24,;-3.36,-4.7,;-2.02,-3.93,;-.69,-4.7,;.65,-3.93,;.65,-2.39,;1.73,-1.3,;.65,-.21,;-.44,-1.3,;-.44,.88,;.65,1.97,;1.73,.88,;.65,3.51,;-.6,4.41,;-2.07,3.94,;-.12,5.88,;-.89,7.21,;-.12,8.55,;1.42,8.55,;2.19,7.21,;1.42,5.88,;1.89,4.41,;3.36,3.94,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCO)C1=O |r|
Cn1cnc(CC2NC(=O)N([C@H]3C[C@@]4(C[C@@H](C4)Oc4ncccc4C(N)=O)C3)C2=O)c1 |r,wD:15.17,13.13,11.10,(-.46,10.53,;-.14,9.03,;1.26,8.4,;1.1,6.87,;-.4,6.55,;-1.03,5.14,;-.12,3.89,;1.42,3.89,;1.89,2.43,;3.36,1.95,;.65,1.52,;.65,-.02,;-.44,-1.1,;.65,-2.19,;1.73,-3.28,;.65,-4.37,;-.44,-3.28,;.65,-5.91,;-.69,-6.68,;-2.02,-5.91,;-3.36,-6.68,;-3.36,-8.22,;-2.02,-8.99,;-.69,-8.22,;.65,-8.99,;1.98,-8.22,;.65,-10.53,;1.73,-1.1,;-.6,2.43,;-2.07,1.95,;-1.17,7.88,)|
CC(C)(C)OC(=O)NCCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r|
CC(C)(C)OC(=O)NCCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(Cc2c[nH]cn2)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.47,;.65,-8.24,;.65,-9.78,;-.69,-7.47,;-2.02,-8.24,;-3.36,-7.47,;-3.36,-5.93,;-2.02,-5.16,;-.69,-5.93,;.65,-5.16,;.65,-3.62,;1.73,-2.53,;.65,-1.44,;-.44,-2.53,;-.44,-.35,;.65,.74,;1.73,-.35,;.65,2.28,;1.89,3.18,;3.36,2.71,;1.42,4.65,;-.12,4.65,;-1.03,5.89,;-.4,7.3,;-1.17,8.63,;-.14,9.78,;1.26,9.15,;1.1,7.62,;-.6,3.18,;-2.07,2.71,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)C2CCCN2C1=O |r,wD:10.10,12.12,15.19,(1.98,-6.09,;.65,-6.86,;.65,-8.4,;-.69,-6.09,;-2.02,-6.86,;-3.36,-6.09,;-3.36,-4.55,;-2.02,-3.78,;-.69,-4.55,;.65,-3.78,;.65,-2.24,;1.73,-1.15,;.65,-.06,;-.44,-1.15,;-.44,1.03,;.65,2.12,;1.73,1.03,;.65,3.66,;-.6,4.56,;-2.07,4.09,;-.12,6.03,;-.6,7.49,;.65,8.4,;1.89,7.49,;1.42,6.03,;1.89,4.56,;3.36,4.09,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N[C@@H](Cc2ccccc2)C1=O |r,wD:10.10,12.12,15.19,21.24,(1.98,-7.64,;.65,-8.41,;.65,-9.95,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;1.73,-2.7,;.65,-1.61,;-.44,-2.7,;-.44,-.52,;.65,.57,;1.73,-.52,;.65,2.11,;1.89,3.01,;3.36,2.54,;1.42,4.48,;-.12,4.48,;-1.03,5.73,;-.4,7.13,;1.13,7.29,;1.75,8.7,;.85,9.95,;-.68,9.79,;-1.31,8.38,;-.6,3.01,;-2.07,2.54,)|
CC(C)(C)C[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:14.16,12.12,10.9,5.4,(-1.31,9.08,;-.4,7.84,;1.13,8,;.22,9.24,;-1.03,6.43,;-.12,5.18,;1.42,5.18,;1.89,3.72,;3.36,3.24,;.65,2.81,;.65,1.27,;-.44,.18,;.65,-.9,;1.73,-1.99,;.65,-3.08,;-.44,-1.99,;.65,-4.62,;-.69,-5.39,;-2.02,-4.62,;-3.36,-5.39,;-3.36,-6.93,;-2.02,-7.7,;-.69,-6.93,;.65,-7.7,;1.98,-6.93,;.65,-9.24,;1.73,.18,;-.6,3.72,;-2.07,3.24,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N[C@@H](CC2CC2)C1=O |r,wD:10.10,12.12,15.19,21.24,(1.98,-6.99,;.65,-7.76,;.65,-9.3,;-.69,-6.99,;-2.02,-7.76,;-3.36,-6.99,;-3.36,-5.45,;-2.02,-4.68,;-.69,-5.45,;.65,-4.68,;.65,-3.14,;1.73,-2.06,;.65,-.97,;-.44,-2.06,;-.44,.12,;.65,1.21,;1.73,.12,;.65,2.75,;1.89,3.66,;3.36,3.18,;1.42,5.12,;-.12,5.12,;-1.03,6.37,;-.4,7.77,;.84,8.68,;-.56,9.3,;-.6,3.66,;-2.07,3.18,)|
CC[C@H](C)[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wU:2.2,wD:13.15,11.11,9.8,4.3,(1.13,8.62,;-.4,8.46,;-1.03,7.05,;-2.56,6.89,;-.12,5.81,;1.42,5.81,;1.89,4.34,;3.36,3.87,;.65,3.44,;.65,1.9,;-.44,.81,;.65,-.28,;1.73,-1.37,;.65,-2.46,;-.44,-1.37,;.65,-4,;-.69,-4.77,;-2.02,-4,;-3.36,-4.77,;-3.36,-6.31,;-2.02,-7.08,;-.69,-6.31,;.65,-7.08,;1.98,-6.31,;.65,-8.62,;1.73,.81,;-.6,4.34,;-2.07,3.87,)|
CCCC[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:13.15,11.11,9.8,4.3,(-2.84,9,;-1.31,9.16,;-.4,7.92,;-1.03,6.51,;-.12,5.26,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCC(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.56,;.65,-8.33,;.65,-9.87,;-.69,-7.56,;-2.02,-8.33,;-3.36,-7.56,;-3.36,-6.02,;-2.02,-5.25,;-.69,-6.02,;.65,-5.25,;.65,-3.71,;1.73,-2.62,;.65,-1.53,;-.44,-2.62,;-.44,-.44,;.65,.65,;1.73,-.44,;.65,2.19,;1.89,3.1,;3.36,2.62,;1.42,4.56,;-.12,4.56,;-1.03,5.81,;-.4,7.21,;-1.31,8.46,;-.68,9.87,;-2.84,8.32,;.23,8.59,;-.6,3.1,;-2.07,2.62,)|
CSCC[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:13.15,11.11,9.8,4.3,(-2.84,9,;-1.31,9.16,;-.4,7.92,;-1.03,6.51,;-.12,5.26,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,)|
CCC[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:12.14,10.10,8.7,3.2,(-1.31,9.16,;-.4,7.92,;-1.03,6.51,;-.12,5.26,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N[C@@H](CC(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,21.24,(1.98,-6.93,;.65,-7.7,;.65,-9.24,;-.69,-6.93,;-2.02,-7.7,;-3.36,-6.93,;-3.36,-5.39,;-2.02,-4.62,;-.69,-5.39,;.65,-4.62,;.65,-3.08,;1.73,-1.99,;.65,-.9,;-.44,-1.99,;-.44,.18,;.65,1.27,;1.73,.18,;.65,2.81,;1.89,3.72,;3.36,3.24,;1.42,5.18,;-.12,5.18,;-1.03,6.43,;-.4,7.84,;-1.31,9.08,;1.13,8,;.22,9.24,;-.6,3.72,;-2.07,3.24,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N[C@@H](CCOCc2ccccc2)C1=O |r|
NC(=O)c1cccnc1OC1CC2(C1)CC(C2)N1C(=O)N[C@H](Cc2ccccc2)C1=O |r,wU:21.24,(1.98,-7.64,;.65,-8.41,;.65,-9.95,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;1.73,-2.7,;.65,-1.61,;-.44,-2.7,;1.73,-.52,;.65,.57,;-.44,-.52,;.65,2.11,;1.89,3.01,;3.36,2.54,;1.42,4.48,;-.12,4.48,;-1.03,5.73,;-.4,7.13,;1.13,7.29,;1.75,8.7,;.85,9.95,;-.68,9.79,;-1.31,8.38,;-.6,3.01,;-2.07,2.54,)|
CC[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:11.13,9.9,7.6,2.1,(-.4,8.54,;-1.03,7.13,;-.12,5.89,;1.42,5.89,;1.89,4.42,;3.36,3.95,;.65,3.52,;.65,1.98,;-.44,.89,;.65,-.2,;1.73,-1.29,;.65,-2.38,;-.44,-1.29,;.65,-3.92,;-.69,-4.69,;-2.02,-3.92,;-3.36,-4.69,;-3.36,-6.23,;-2.02,-7,;-.69,-6.23,;.65,-7,;1.98,-6.23,;.65,-8.54,;1.73,.89,;-.6,4.42,;-2.07,3.95,)|
COC[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:12.14,10.10,8.7,3.2,(-1.31,9.16,;-.4,7.92,;-1.03,6.51,;-.12,5.26,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCC2CC2)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.62,;.65,-8.39,;.65,-9.93,;-.69,-7.62,;-2.02,-8.39,;-3.36,-7.62,;-3.36,-6.08,;-2.02,-5.31,;-.69,-6.08,;.65,-5.31,;.65,-3.77,;1.73,-2.68,;.65,-1.59,;-.44,-2.68,;-.44,-.5,;.65,.59,;1.73,-.5,;.65,2.13,;1.89,3.03,;3.36,2.56,;1.42,4.5,;-.12,4.5,;-1.03,5.74,;-.4,7.15,;-1.31,8.4,;-1.47,9.93,;-2.72,9.02,;-.6,3.03,;-2.07,2.56,)|
CCC(CC)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:15.17,13.13,11.10,(2.03,6.13,;1.13,7.37,;-.4,7.21,;-1.31,8.46,;-.68,9.87,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;1.98,-7.56,;.65,-9.87,;1.73,-.44,;-.6,3.1,;-2.07,2.62,)|
CCCC(C)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:15.17,13.13,11.10,(-1.59,10.49,;-.68,9.24,;-1.31,7.84,;-.4,6.59,;1.13,6.75,;-1.03,5.18,;-.12,3.94,;1.42,3.94,;1.89,2.47,;3.36,2,;.65,1.57,;.65,.03,;-.44,-1.06,;.65,-2.15,;1.73,-3.24,;.65,-4.33,;-.44,-3.24,;.65,-5.87,;-.69,-6.64,;-2.02,-5.87,;-3.36,-6.64,;-3.36,-8.18,;-2.02,-8.95,;-.69,-8.18,;.65,-8.95,;1.98,-8.18,;.65,-10.49,;1.73,-1.06,;-.6,2.47,;-2.07,2,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CCCC2)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.47,;.65,-8.24,;.65,-9.78,;-.69,-7.47,;-2.02,-8.24,;-3.36,-7.47,;-3.36,-5.93,;-2.02,-5.16,;-.69,-5.93,;.65,-5.16,;.65,-3.62,;1.73,-2.53,;.65,-1.44,;-.44,-2.53,;-.44,-.35,;.65,.74,;1.73,-.35,;.65,2.28,;1.89,3.18,;3.36,2.71,;1.42,4.65,;-.12,4.65,;-1.03,5.89,;-.4,7.3,;1.1,7.62,;1.26,9.15,;-.14,9.78,;-1.17,8.63,;-.6,3.18,;-2.07,2.71,)|
CCC(C)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:14.16,12.12,10.9,(-.68,9.87,;-1.31,8.46,;-.4,7.21,;1.13,7.37,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;1.98,-7.56,;.65,-9.87,;1.73,-.44,;-.6,3.1,;-2.07,2.62,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCCC(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-8.26,;.65,-9.03,;.65,-10.57,;-.69,-8.26,;-2.02,-9.03,;-3.36,-8.26,;-3.36,-6.72,;-2.02,-5.95,;-.69,-6.72,;.65,-5.95,;.65,-4.41,;1.73,-3.32,;.65,-2.23,;-.44,-3.32,;-.44,-1.14,;.65,-.05,;1.73,-1.14,;.65,1.49,;1.89,2.39,;3.36,1.92,;1.42,3.86,;-.12,3.86,;-1.03,5.1,;-.4,6.51,;-1.31,7.76,;-.68,9.16,;-1.59,10.41,;.85,9.32,;-.06,10.57,;-.6,2.39,;-2.07,1.92,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCC2CCCCCC2)C1=O |r,wD:10.10,12.12,15.19,(2.27,-8.48,;.94,-9.25,;.94,-10.79,;-.39,-8.48,;-1.73,-9.25,;-3.06,-8.48,;-3.06,-6.94,;-1.73,-6.17,;-.39,-6.94,;.94,-6.17,;.94,-4.63,;2.03,-3.54,;.94,-2.45,;-.15,-3.54,;-.15,-1.36,;.94,-.27,;2.03,-1.36,;.94,1.27,;2.18,2.18,;3.65,1.7,;1.71,3.64,;.17,3.64,;-.74,4.89,;-.11,6.29,;-1.02,7.54,;-.22,8.86,;-.75,10.3,;-2.21,10.79,;-3.5,9.94,;-3.65,8.41,;-2.54,7.34,;-.31,2.18,;-1.77,1.7,)|
CC(C)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:13.15,11.11,9.8,(-1.31,9.16,;-.4,7.92,;1.13,8.08,;-1.03,6.51,;-.12,5.26,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CC(F)(F)C2)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.89,;.65,-8.66,;.65,-10.2,;-.69,-7.89,;-2.02,-8.66,;-3.36,-7.89,;-3.36,-6.35,;-2.02,-5.58,;-.69,-6.35,;.65,-5.58,;.65,-4.04,;1.73,-2.95,;.65,-1.86,;-.44,-2.95,;-.44,-.77,;.65,.31,;1.73,-.77,;.65,1.85,;1.89,2.76,;3.36,2.28,;1.42,4.22,;-.12,4.22,;-1.03,5.47,;-.4,6.88,;1.03,7.43,;.48,8.87,;-.29,10.2,;1.97,9.27,;-.96,8.32,;-.6,2.76,;-2.07,2.28,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC(C(F)(F)F)C(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.6,;.65,-8.37,;.65,-9.91,;-.69,-7.6,;-2.02,-8.37,;-3.36,-7.6,;-3.36,-6.06,;-2.02,-5.29,;-.69,-6.06,;.65,-5.29,;.65,-3.75,;1.73,-2.66,;.65,-1.57,;-.44,-2.66,;-.44,-.48,;.65,.61,;1.73,-.48,;.65,2.15,;1.89,3.06,;3.36,2.58,;1.42,4.52,;-.12,4.52,;-1.03,5.77,;-.4,7.17,;-1.31,8.42,;-1.71,9.91,;-2.85,8.42,;-2.4,7.33,;1.13,7.33,;1.13,8.87,;2.27,6.3,;2.46,8.1,;-.6,3.06,;-2.07,2.58,)|
CCC(CC)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:15.17,13.13,11.10,(-.68,9.87,;-1.31,8.46,;-.4,7.21,;1.13,7.37,;2.03,6.13,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;1.98,-7.56,;.65,-9.87,;1.73,-.44,;-.6,3.1,;-2.07,2.62,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCOCC(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-8.88,;.65,-9.65,;.65,-11.19,;-.69,-8.88,;-2.02,-9.65,;-3.36,-8.88,;-3.36,-7.34,;-2.02,-6.57,;-.69,-7.34,;.65,-6.57,;.65,-5.03,;1.73,-3.94,;.65,-2.85,;-.44,-3.94,;-.44,-1.76,;.65,-.68,;1.73,-1.76,;.65,.86,;1.89,1.77,;3.36,1.29,;1.42,3.23,;-.12,3.23,;-1.03,4.48,;-.4,5.89,;-1.31,7.13,;-.68,8.54,;-1.59,9.79,;-.96,11.19,;-3.12,9.62,;-.06,9.95,;-.6,1.77,;-2.07,1.29,)|
CCC(CC)C1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r|
CC(C)CCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:14.16,12.12,10.9,(-.68,9.87,;-1.31,8.46,;-2.84,8.3,;-.4,7.21,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;1.98,-7.56,;.65,-9.87,;1.73,-.44,;-.6,3.1,;-2.07,2.62,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CCCO2)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.47,;.65,-8.24,;.65,-9.78,;-.69,-7.47,;-2.02,-8.24,;-3.36,-7.47,;-3.36,-5.93,;-2.02,-5.16,;-.69,-5.93,;.65,-5.16,;.65,-3.62,;1.73,-2.53,;.65,-1.44,;-.44,-2.53,;-.44,-.35,;.65,.74,;1.73,-.35,;.65,2.28,;1.89,3.18,;3.36,2.71,;1.42,4.65,;-.12,4.65,;-1.03,5.89,;-.4,7.3,;1.1,7.62,;1.26,9.15,;-.14,9.78,;-1.17,8.63,;-.6,3.18,;-2.07,2.71,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC(C(F)(F)F)C(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.56,;.65,-8.33,;.65,-9.87,;-.69,-7.56,;-2.02,-8.33,;-3.36,-7.56,;-3.36,-6.02,;-2.02,-5.25,;-.69,-6.02,;.65,-5.25,;.65,-3.71,;1.73,-2.62,;.65,-1.53,;-.44,-2.62,;-.44,-.44,;.65,.65,;1.73,-.44,;.65,2.19,;1.89,3.1,;3.36,2.62,;1.42,4.56,;-.12,4.56,;-1.03,5.81,;-.4,7.21,;-1.31,8.46,;-.68,9.87,;-2.84,8.3,;.22,8.62,;1.13,7.37,;2.03,6.13,;1.75,8.78,;2.66,7.53,;-.6,3.1,;-2.07,2.62,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCOC(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-8.26,;.65,-9.03,;.65,-10.57,;-.69,-8.26,;-2.02,-9.03,;-3.36,-8.26,;-3.36,-6.72,;-2.02,-5.95,;-.69,-6.72,;.65,-5.95,;.65,-4.41,;1.73,-3.32,;.65,-2.23,;-.44,-3.32,;-.44,-1.14,;.65,-.05,;1.73,-1.14,;.65,1.49,;1.89,2.39,;3.36,1.92,;1.42,3.86,;-.12,3.86,;-1.03,5.1,;-.4,6.51,;-1.31,7.76,;-.68,9.16,;-1.59,10.41,;.85,9.32,;-.06,10.57,;-.6,2.39,;-2.07,1.92,)|
CC(C)(O)CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:14.16,12.12,10.9,(-1.31,9.08,;-.4,7.84,;1.13,8,;.22,9.24,;-1.03,6.43,;-.12,5.18,;1.42,5.18,;1.89,3.72,;3.36,3.24,;.65,2.81,;.65,1.27,;-.44,.18,;.65,-.9,;1.73,-1.99,;.65,-3.08,;-.44,-1.99,;.65,-4.62,;-.69,-5.39,;-2.02,-4.62,;-3.36,-5.39,;-3.36,-6.93,;-2.02,-7.7,;-.69,-6.93,;.65,-7.7,;1.98,-6.93,;.65,-9.24,;1.73,.18,;-.6,3.72,;-2.07,3.24,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCOC(F)(F)F)C1=O |r,wD:10.10,12.12,15.19,(1.98,-8.26,;.65,-9.03,;.65,-10.57,;-.69,-8.26,;-2.02,-9.03,;-3.36,-8.26,;-3.36,-6.72,;-2.02,-5.95,;-.69,-6.72,;.65,-5.95,;.65,-4.41,;1.73,-3.32,;.65,-2.23,;-.44,-3.32,;-.44,-1.14,;.65,-.05,;1.73,-1.14,;.65,1.49,;1.89,2.39,;3.36,1.92,;1.42,3.86,;-.12,3.86,;-1.03,5.1,;-.4,6.51,;-1.31,7.76,;-.68,9.16,;.85,9.32,;-1.59,10.41,;-.06,10.57,;-.6,2.39,;-2.07,1.92,)|
CC(C)(O)CCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r,wD:15.17,13.13,11.10,(-2.84,8.3,;-1.31,8.46,;.22,8.62,;-.68,9.87,;-.4,7.21,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;1.98,-7.56,;.65,-9.87,;1.73,-.44,;-.6,3.1,;-2.07,2.62,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N(CC2CCC2)C(=O)C1=O |r,wD:10.10,12.12,15.19,(1.98,-7.22,;.65,-7.99,;.65,-9.53,;-.69,-7.22,;-2.02,-7.99,;-3.36,-7.22,;-3.36,-5.68,;-2.02,-4.91,;-.69,-5.68,;.65,-4.91,;.65,-3.37,;1.73,-2.28,;.65,-1.2,;-.44,-2.28,;-.44,-.11,;.65,.98,;1.73,-.11,;.65,2.52,;1.89,3.43,;3.36,2.95,;1.42,4.89,;2.32,6.14,;1.69,7.54,;2.25,8.98,;.81,9.53,;.26,8.1,;-.12,4.89,;-1.03,6.14,;-.6,3.43,;-2.07,2.95,)|
CC(C)CCN1C(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C(=O)C1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CCCS(N)(=O)=O)C1=O |r|
CC(C)CN1C(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C(=O)C1=O |r,wD:12.14,10.10,8.7,(2.6,9.16,;1.69,7.92,;.16,8.08,;2.32,6.51,;1.42,5.26,;1.89,3.8,;3.36,3.32,;.65,2.89,;.65,1.35,;-.44,.26,;.65,-.82,;1.73,-1.91,;.65,-3,;-.44,-1.91,;.65,-4.54,;-.69,-5.31,;-2.02,-4.54,;-3.36,-5.31,;-3.36,-6.85,;-2.02,-7.62,;-.69,-6.85,;.65,-7.62,;1.98,-6.85,;.65,-9.16,;1.73,.26,;-.6,3.8,;-2.07,3.32,;-.12,5.26,;-1.03,6.51,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC23CC4CC(CC(C4)C2)C3)C1=O |r,wD:10.10,12.12,15.19,THB:28:29:24:26.27.32,28:27:30.29.31:24,31:29:26:24.23.32,31:23:26:30.29.28,(1.98,-7.83,;.65,-8.6,;.65,-10.14,;-.69,-7.83,;-2.02,-8.6,;-3.36,-7.83,;-3.36,-6.29,;-2.02,-5.52,;-.69,-6.29,;.65,-5.52,;.65,-3.98,;1.73,-2.89,;.65,-1.8,;-.44,-2.89,;-.44,-.71,;.65,.38,;1.73,-.71,;.65,1.92,;1.89,2.83,;3.36,2.35,;1.42,4.29,;-.12,4.29,;-1.03,5.54,;-.4,6.94,;-1.49,8.03,;-.72,9.37,;.61,10.14,;1.71,8.99,;3.2,8.68,;1.87,7.91,;.77,8.99,;1.1,6.57,;.93,7.71,;-.6,2.83,;-2.07,2.35,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CC3CCC2C3)C1=O |r,wD:10.10,12.12,15.19,(.65,-9.95,;.65,-8.41,;1.98,-7.64,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;1.73,-2.7,;.65,-1.61,;-.44,-2.7,;-.44,-.52,;.65,.57,;1.73,-.52,;.65,2.11,;1.89,3.01,;3.36,2.54,;1.42,4.48,;-.12,4.48,;-1.03,5.73,;-.4,7.13,;-1.31,8.38,;-.68,9.79,;.85,9.95,;1.75,8.7,;1.13,7.29,;.61,8.82,;-.6,3.01,;-2.07,2.54,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CC3CCC2CC3)C1=O |r,wD:10.10,12.12,15.19,THB:22:23:27.26:30.29,(.65,-9.95,;.65,-8.41,;1.98,-7.64,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;1.73,-2.7,;.65,-1.61,;-.44,-2.7,;-.44,-.52,;.65,.57,;1.73,-.52,;.65,2.11,;1.89,3.01,;3.36,2.54,;1.42,4.48,;-.12,4.48,;-1.03,5.73,;-.4,7.13,;-1.31,8.38,;-.68,9.79,;.85,9.95,;1.75,8.7,;1.13,7.29,;1.14,8.69,;-.68,8.25,;-.6,3.01,;-2.07,2.54,)|
CC(CCC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)C(F)(F)F |r|
Cc1c(CC2NC(=O)N([C@H]3C[C@@]4(C[C@@H](C4)Oc4ncccc4C(N)=O)C3)C2=O)cnn1C |r,wD:13.15,11.11,9.8,(2.25,6.52,;1.1,7.55,;-.4,7.23,;-1.03,5.82,;-.12,4.58,;1.42,4.58,;1.89,3.11,;3.36,2.63,;.65,2.21,;.65,.67,;-.44,-.42,;.65,-1.51,;1.73,-2.6,;.65,-3.69,;-.44,-2.6,;.65,-5.23,;-.69,-6,;-2.02,-5.23,;-3.36,-6,;-3.36,-7.54,;-2.02,-8.31,;-.69,-7.54,;.65,-8.31,;1.98,-7.54,;.65,-9.85,;1.73,-.42,;-.6,3.11,;-2.07,2.63,;-1.17,8.56,;-.14,9.71,;1.26,9.08,;2.6,9.85,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(Cc2ccncc2)C1=O |r,wD:10.10,12.12,15.19,(.65,-9.95,;.65,-8.41,;1.98,-7.64,;-.69,-7.64,;-2.02,-8.41,;-3.36,-7.64,;-3.36,-6.1,;-2.02,-5.33,;-.69,-6.1,;.65,-5.33,;.65,-3.79,;1.73,-2.7,;.65,-1.61,;-.44,-2.7,;-.44,-.52,;.65,.57,;1.73,-.52,;.65,2.11,;1.89,3.01,;3.36,2.54,;1.42,4.48,;-.12,4.48,;-1.03,5.73,;-.4,7.13,;1.13,7.29,;1.75,8.7,;.85,9.95,;-.68,9.79,;-1.31,8.38,;-.6,3.01,;-2.07,2.54,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)C[C@H](CCc2ccccc2)NC1=O |r|
CC[C@H](C)[C@H]1CC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C(=O)N1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CC(Cc2ccccc2)NC1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)C[C@@H](NC1=O)c1cccc(Br)c1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)C[C@@H](CC=C)NC1=O |r|
CC(C)CC1CNC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1cccc(Cl)c1 |r,wD:10.10,12.12,15.19,(1.41,-7.57,;.08,-8.34,;.08,-9.88,;-1.26,-7.57,;-2.59,-8.34,;-3.93,-7.57,;-3.93,-6.03,;-2.59,-5.26,;-1.26,-6.03,;.08,-5.26,;.08,-3.72,;1.16,-2.63,;.08,-1.54,;-1.01,-2.63,;-1.01,-.45,;.08,.64,;1.16,-.45,;.08,2.18,;-1.17,3.08,;-2.5,2.31,;-.69,4.55,;.85,4.55,;1.32,3.08,;2.66,2.31,;1.62,5.88,;3.16,5.88,;3.93,7.21,;3.16,8.55,;1.62,8.55,;.85,9.88,;.85,7.21,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1cccc(OC(F)F)c1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1cccc(c1)C(F)(F)F |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1ccc(Oc2ccccc2)cc1 |r,wD:10.10,12.12,15.19,(1,-9.5,;-.33,-10.27,;-.33,-11.81,;-1.67,-9.5,;-3,-10.27,;-4.34,-9.5,;-4.34,-7.96,;-3,-7.19,;-1.67,-7.96,;-.33,-7.19,;-.33,-5.65,;.75,-4.57,;-.33,-3.48,;-1.42,-4.57,;-1.42,-2.39,;-.33,-1.3,;.75,-2.39,;-.33,.24,;-1.58,1.15,;-3.04,.67,;-1.1,2.61,;.44,2.61,;.91,1.15,;2.38,.67,;1.34,3.86,;2.87,3.7,;3.78,4.94,;3.15,6.35,;4.06,7.59,;3.43,9,;4.34,10.25,;3.71,11.65,;2.18,11.81,;1.27,10.57,;1.9,9.16,;1.62,6.51,;.71,5.26,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1ccc(Cc2ccccc2)cc1 |r,wD:10.10,12.12,15.19,(1,-9.5,;-.33,-10.28,;-.33,-11.82,;-1.67,-9.5,;-3,-10.28,;-4.34,-9.5,;-4.34,-7.97,;-3,-7.19,;-1.67,-7.97,;-.33,-7.19,;-.33,-5.66,;.75,-4.57,;-.33,-3.48,;-1.42,-4.57,;-1.42,-2.39,;-.33,-1.3,;.75,-2.39,;-.33,.24,;-1.58,1.15,;-3.04,.67,;-1.1,2.61,;.44,2.61,;.91,1.15,;2.38,.67,;1.34,3.86,;2.87,3.7,;3.78,4.94,;3.15,6.35,;4.06,7.59,;3.43,9,;4.34,10.25,;3.71,11.65,;2.18,11.82,;1.27,10.57,;1.9,9.16,;1.62,6.51,;.71,5.26,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1cccc(F)c1 |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1ccc(OC(F)(F)F)cc1 |r,wD:10.10,12.12,15.19,(1,-8.84,;-.33,-9.61,;-.33,-11.15,;-1.67,-8.84,;-3,-9.61,;-4.34,-8.84,;-4.34,-7.3,;-3,-6.53,;-1.67,-7.3,;-.33,-6.53,;-.33,-4.99,;.75,-3.9,;-.33,-2.81,;-1.42,-3.9,;-1.42,-1.72,;-.33,-.64,;.75,-1.72,;-.33,.9,;-1.58,1.81,;-3.04,1.33,;-1.1,3.27,;.44,3.27,;.91,1.81,;2.38,1.33,;1.34,4.52,;2.87,4.36,;3.78,5.6,;3.15,7.01,;4.06,8.26,;3.43,9.66,;4.34,10.91,;3.03,11.15,;1.94,9.27,;1.62,7.17,;.71,5.93,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)CN(C1=O)c1ccc(cc1)C(F)(F)F |r|
CC(C)(O)COc1cccc(c1)N1CC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r|
CS(=O)(=O)c1cccc(c1)N1CC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O |r|
C\C(CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)=C/c1ccccc1 |r,wD:12.14,10.10,8.7,(-1.59,7.59,;-.68,6.35,;-1.31,4.94,;-.4,3.7,;1.14,3.7,;1.61,2.23,;3.08,1.76,;.37,1.33,;.37,-.21,;-.72,-1.3,;.37,-2.39,;1.46,-3.48,;.37,-4.57,;-.72,-3.48,;.37,-6.11,;-.97,-6.88,;-2.3,-6.11,;-3.63,-6.88,;-3.63,-8.42,;-2.3,-9.19,;-.97,-8.42,;.37,-9.19,;.37,-10.73,;1.7,-8.42,;1.46,-1.3,;-.88,2.23,;-2.34,1.76,;.85,6.51,;1.48,7.92,;3.01,8.08,;3.63,9.48,;2.73,10.73,;1.2,10.57,;.57,9.16,)|
CC(CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)Cc1ccccc1 |r|
C[C@H](C[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)C(F)(F)F |r,wD:12.14,10.10,8.7,3.2,1.0,(1.13,7.37,;-.4,7.21,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;.65,-9.87,;1.98,-7.56,;1.73,-.44,;-.6,3.1,;-2.07,2.62,;-1.31,8.46,;-.68,9.87,;-2.84,8.3,;-2.21,9.7,)|
C[C@@H](C[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)C(F)(F)F |r,wU:1.0,wD:12.14,10.10,8.7,3.2,(1.13,7.37,;-.4,7.21,;-1.03,5.81,;-.12,4.56,;1.42,4.56,;1.89,3.1,;3.36,2.62,;.65,2.19,;.65,.65,;-.44,-.44,;.65,-1.53,;1.73,-2.62,;.65,-3.71,;-.44,-2.62,;.65,-5.25,;-.69,-6.02,;-2.02,-5.25,;-3.36,-6.02,;-3.36,-7.56,;-2.02,-8.33,;-.69,-7.56,;.65,-8.33,;.65,-9.87,;1.98,-7.56,;1.73,-.44,;-.6,3.1,;-2.07,2.62,;-1.31,8.46,;-.68,9.87,;-2.84,8.3,;-2.21,9.7,)|
CC(C)(CC1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)c1ccccc1 |r,wD:13.15,11.11,9.8,(1.26,6.74,;-.27,6.58,;.13,8.07,;-.9,5.18,;.01,3.93,;1.55,3.93,;2.02,2.47,;3.49,1.99,;.78,1.56,;.78,.02,;-.31,-1.07,;.78,-2.16,;1.87,-3.25,;.78,-4.34,;-.31,-3.25,;.78,-5.88,;-.56,-6.65,;-1.89,-5.88,;-3.22,-6.65,;-3.22,-8.19,;-1.89,-8.96,;-.56,-8.19,;.78,-8.96,;.78,-10.5,;2.11,-8.19,;1.87,-1.07,;-.47,2.47,;-1.93,1.99,;-1.18,7.83,;-.41,9.16,;-1.18,10.5,;-2.72,10.5,;-3.49,9.16,;-2.72,7.83,)|
CC(C[C@@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)c1ccccc1 |r,w:1.0,wD:12.14,10.10,8.7,3.2,(1.26,6.74,;-.27,6.58,;-.9,5.18,;.01,3.93,;1.55,3.93,;2.02,2.47,;3.49,1.99,;.78,1.56,;.78,.02,;-.31,-1.07,;.78,-2.16,;1.87,-3.25,;.78,-4.34,;-.31,-3.25,;.78,-5.88,;-.56,-6.65,;-1.89,-5.88,;-3.22,-6.65,;-3.22,-8.19,;-1.89,-8.96,;-.56,-8.19,;.78,-8.96,;.78,-10.5,;2.11,-8.19,;1.87,-1.07,;-.47,2.47,;-1.93,1.99,;-1.18,7.83,;-.41,9.16,;-1.18,10.5,;-2.72,10.5,;-3.49,9.16,;-2.72,7.83,)|
CC(C[C@H]1NC(=O)N([C@H]2C[C@@]3(C[C@@H](C3)Oc3ncccc3C(N)=O)C2)C1=O)c1ccccc1 |r,w:1.0,wU:3.2,wD:12.14,10.10,8.7,(1.26,6.74,;-.27,6.58,;-.9,5.18,;.01,3.93,;1.55,3.93,;2.02,2.47,;3.49,1.99,;.78,1.56,;.78,.02,;-.31,-1.07,;.78,-2.16,;1.87,-3.25,;.78,-4.34,;-.31,-3.25,;.78,-5.88,;-.56,-6.65,;-1.89,-5.88,;-3.22,-6.65,;-3.22,-8.19,;-1.89,-8.96,;-.56,-8.19,;.78,-8.96,;.78,-10.5,;2.11,-8.19,;1.87,-1.07,;-.47,2.47,;-1.93,1.99,;-1.18,7.83,;-.41,9.16,;-1.18,10.5,;-2.72,10.5,;-3.49,9.16,;-2.72,7.83,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N[C@@H](CC2CC[C@@H](CC2)NC(=O)OCc2ccccc2)C1=O |r|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CCN(CC2)C(=O)OCc2ccccc2)C1=O |r,wD:10.10,12.12,15.19,(1.28,-11.27,;1.28,-9.73,;2.62,-8.96,;-.05,-8.96,;-1.38,-9.73,;-2.72,-8.96,;-2.72,-7.42,;-1.38,-6.65,;-.05,-7.42,;1.28,-6.65,;1.28,-5.11,;2.37,-4.02,;1.28,-2.93,;.2,-4.02,;.2,-1.85,;1.28,-.76,;2.37,-1.85,;1.28,.78,;2.53,1.69,;4,1.21,;2.05,3.15,;.51,3.15,;-.39,4.4,;.24,5.81,;1.77,5.97,;2.39,7.37,;1.49,8.62,;-.04,8.46,;-.67,7.05,;2.12,10.03,;3.66,10.03,;1.21,11.27,;-.33,11.27,;-1.42,10.18,;-2.91,10.58,;-4,9.49,;-3.6,8.01,;-2.11,7.61,;-1.02,8.7,;.04,1.69,;-1.43,1.21,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(C[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)OCc2ccccc2)C1=O |r,wU:23.25,28.33,25.34,wD:10.10,12.12,15.19,THB:31:30:23.29.24:26.27,(1.28,-11.27,;1.28,-9.73,;2.62,-8.96,;-.05,-8.96,;-1.38,-9.73,;-2.72,-8.96,;-2.72,-7.42,;-1.38,-6.65,;-.05,-7.42,;1.28,-6.65,;1.28,-5.11,;2.37,-4.02,;1.28,-2.93,;.2,-4.02,;.2,-1.85,;1.28,-.76,;2.37,-1.85,;1.28,.78,;2.53,1.69,;4,1.21,;2.05,3.15,;.51,3.15,;-.39,4.4,;.24,5.81,;-.67,7.05,;-.04,8.46,;.07,6.92,;1.06,6.6,;2.39,7.37,;1.77,5.97,;1.49,8.62,;2.12,10.03,;3.66,10.03,;1.21,11.27,;-.33,11.27,;-1.42,10.18,;-2.91,10.58,;-4,9.49,;-3.6,8.01,;-2.11,7.61,;-1.02,8.7,;.04,1.69,;-1.43,1.21,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)N[C@@H](C[C@H]2CC[C@@H](CC2)NC(=O)c2ccccc2)C1=O |r,wU:23.25,wD:10.10,12.12,15.19,21.24,26.32,(-1.03,-12.57,;-1.03,-11.03,;.3,-10.26,;-2.37,-10.27,;-3.75,-11.01,;-5.08,-10.24,;-5.08,-8.7,;-3.75,-7.93,;-2.41,-8.7,;-1.08,-7.93,;-1.08,-6.39,;.01,-5.3,;-1.08,-4.21,;-2.17,-5.3,;-2.17,-3.12,;-1.08,-2.03,;.01,-3.12,;-1.08,-.49,;.17,.41,;1.5,-.36,;-.31,1.88,;-1.85,1.88,;-2.62,3.21,;-1.85,4.55,;-2.62,5.88,;-1.85,7.21,;-.28,7.26,;.46,5.88,;-.31,4.55,;.49,8.59,;2.03,8.59,;2.8,7.26,;2.8,9.93,;4.34,9.93,;5.11,11.26,;4.34,12.59,;2.8,12.6,;2.03,11.26,;-2.33,.41,;-3.66,-.36,)|
NC(=O)c1cccnc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(CC2CCN(CC2)C(=O)c2ccccc2)C1=O |r,wD:10.10,12.12,15.19,(.65,-12.65,;.65,-11.11,;1.98,-10.34,;-.69,-10.34,;-2.02,-11.11,;-3.36,-10.34,;-3.36,-8.8,;-2.02,-8.03,;-.69,-8.8,;.65,-8.03,;.65,-6.49,;1.73,-5.4,;.65,-4.31,;-.44,-5.4,;-.44,-3.22,;.65,-2.13,;1.73,-3.22,;.65,-.59,;1.89,.31,;3.36,-.17,;1.42,1.78,;-.12,1.78,;-1.03,3.02,;-.4,4.43,;1.13,4.59,;1.75,6,;.85,7.24,;-.68,7.08,;-1.31,5.67,;1.48,8.65,;3.02,8.65,;.71,9.98,;1.48,11.32,;.71,12.65,;-.83,12.65,;-1.6,11.32,;-.83,9.98,;-.6,.31,;-2.07,-.17,)|
COc1ccc(C(N)=O)c(O[C@H]2C[C@]3(C2)C[C@@H](C3)N2C(=O)N[C@@H](CC(C)C(F)(F)F)C2=O)n1 |r,wD:11.10,13.12,16.19,22.24,(-3.69,-3.08,;-3.96,-4.59,;-2.62,-5.36,;-2.62,-6.9,;-1.29,-7.67,;.09,-6.93,;1.43,-7.7,;1.43,-9.24,;2.76,-6.93,;.04,-5.36,;1.38,-4.59,;1.38,-3.05,;2.47,-1.96,;1.38,-.88,;.29,-1.96,;.29,.21,;1.38,1.3,;2.47,.21,;1.38,2.84,;2.62,3.75,;3.96,2.98,;2.15,5.21,;.61,5.21,;-.16,6.55,;.61,7.88,;2.15,7.88,;-.16,9.21,;.61,10.55,;-1.7,9.21,;-.93,10.55,;.13,3.75,;-1.2,2.98,;-1.29,-4.59,)|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4nc[nH]n4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cc[nH]n4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ncc[nH]4)c23)NC1
CN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r|
C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ncc[nH]4)c13)CCCCN2 |r|
CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12
C1CC[C@@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccccn4)c23)NC1 |r|
CCN1CCCC[C@@]11CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r|
Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CCC[C@@]4(CCCCN4)C3)c12 |r|
C1C[C@]2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCCCN2 |r|
Cc1cnc([nH]1)-c1c[nH]c2nccc(N3CC[C@]4(C3)CCCCN4)c12 |r|
CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12
Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1C[C@]2(CN1c1ccnc3[nH]cc(-c4ccncn4)c13)CCCCN2 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cn[nH]c4)c23)NC1
CNC1CCCN(C1)c1ccnc2[nH]cc(-c3ncc(C)[nH]3)c12
CC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12
Oc1ccc(nc1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
Nc1cccnc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1CNC2(C1)CCN(C2)c1ccnc2[nH]cc(-c3cc[nH]n3)c12
CN[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccncn3)c12 |r|
N#Cc1c[nH]c2nccc(N3CCC[C@@]4(CCCCN4)C3)c12 |r|
CC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
N[C@]1(CCCNC1)Nc1ccnc2[nH]cc(-c3ncc[nH]3)c12 |r|
Cc1c[nH]nc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
C1CC2(CN1c1ccnc3[nH]cc(-c4nc[nH]n4)c13)CCCCN2
N[C@@]1(CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12)NC1CC1 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnsc3)c12 |r|
C1CN[C@@]2(C1)CCN(C2)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 |r|
CN[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ncc[nH]3)c12 |r|
CCN1CCCCC11CCCN(C1)c1ccnc2[nH]cc(C#N)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccccn3)c12 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cncnc4)c23)NC1
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ccnnc4)c23)NC1
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncc(F)c3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12 |r|
CCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccnnc3)c12 |r|
Nc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CNCC2(C1)CCN(CC2)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CC2(CN1)CCN(CC2)c1ccnc2[nH]cc(-c3cncnc3)c12
NCC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
NCCC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4ncccn4)c23)NC1
N[C@@]1(CNc2ccnc3[nH]cc(-c4cncnc4)c23)CCCNC1 |r|
C(Oc1ccnc2[nH]cc(-c3cncnc3)c12)C1CCCNC1
CNC1CCCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
N[C@]1(CNc2ccnc3[nH]cc(-c4cncnc4)c23)CCCNC1 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cccnc3)c12 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cnccn4)c23)NC1
C[C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4ccncn4)c23)NC1 |r|
C1CCC2(CCCN(C2)c2ccnc3[nH]cc(-c4cccnn4)c23)NC1
Cn1cc(cn1)-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
NC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ncccc3F)c12 |r|
C1CNCCC(C1)Oc1ccnc2[nH]cc(-c3cncnc3)c12
NCC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cccnn3)c12 |r|
CNC1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CC2(CN1c1ccnc3[nH]cc(-c4cncnc4)c13)CCNCC2
OCCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNCC2(C1)CCCN(C2)c1ccnc2[nH]cc(-c3cncnc3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnccn3)c12 |r|
CNc1cc(ccn1)-c1c[nH]c2nccc(N3CCCCC3)c12
CN1CN[C@@H]2CN(CC[C@H]12)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNC2(C1)CCCN(C2)c1ccnc2[nH]cc(-c3cncnc3)c12
CN1CCC[C@@](N)(COc2ccnc3[nH]cc(-c4cncnc4)c23)C1 |r|
C1CC1N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cn[nH]c3)c12 |r|
N[C@H]1CCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C(Oc1ccnc2[nH]cc(-c3cncnc3)c12)[C@@H]1CCNC1 |r|
C1CCN(C1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C(Oc1ccnc2[nH]cc(-c3cncnc3)c12)[C@H]1CCNC1 |r|
COC[C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
C1CN(C1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNC[C@@H](C1)Oc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CNC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCN(CC1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
NC1CCN(C1)C1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
NC1CCN(CC1)[C@@]1(N)CCCN(C1)c1cccc2[nH]cc(-c3cncnc3)c12 |r|
CN1CCC[C@H](COc2ccnc3[nH]cc(-c4cncnc4)c23)C1 |r|
NN[C@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
COCCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN1CCCN(CC1)c1ccnc2[nH]cc(C#N)c12
C1CC(CCN1)Oc1ccnc2[nH]cc(-c3cncnc3)c12
CNCC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cn[nH]c3)c12
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(C#N)c12 |r|
C1NCC2CN(CC12)c1ccnc2[nH]cc(-c3cncnc3)c12
NC1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
FC1CCN(C1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CNC[C@@H](C1)Nc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnn(C)c3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3ccc(F)cn3)c12 |r|
C(Nc1ccnc2[nH]cc(-c3cncnc3)c12)C1CCCNC1
CN(C1CC1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
N#Cc1c[nH]c2nccc(N3CCC3)c12
C1CC[C@]2(CCCN(C2)c2ccnc3[nH]cc(-c4cncnc4)c23)NC1 |r|
CCN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnn(C)c3)c12 |r|
NC1(N)CCN(C1)c1ccnc2[nH]cc(C#N)c12
N#Cc1c[nH]c2nccc(N3CCCCC3)c12
FC1CCN(CC1)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccnnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccn[nH]3)c12
CCN1CCCC[C@]11CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN1CC[C@H](COc2ccnc3[nH]cc(-c4cncnc4)c23)C1 |r|
Cc1[nH]ncc1-c1c[nH]c2nccc(N3CCC[C@H](N)C3)c12 |r|
Cn1cc(cn1)-c1c[nH]c2nccc(N3CCC[C@@](N)(C3)N3CCC(N)CC3)c12 |r|
CN(C)[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C(Nc1ccnc2[nH]cc(-c3cncnc3)c12)C1CCNCC1
C1CCC(CNC1)Nc1ccnc2[nH]cc(-c3cncnc3)c12
N[C@@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccncn3)c12
CN(C)c1ccnc2[nH]cc(C#N)c12
CN1CCCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cccnc3)c12
C1CNCC(C1)Nc1ccnc2[nH]cc(-c3cncnc3)c12
C1CC(CCN1)Nc1ccnc2[nH]cc(-c3cncnc3)c12
O[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cnc(C)nc3)c12 |r|
C1C[C@@H](CN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12)N1CCOCC1 |r|
C1CN(C1)c1ccnc2[nH]cc(-c3cc[nH]n3)c12
NNC1CCCN1c1ccnc2[nH]cc(C#N)c12
Cc1cnc2[nH]cc(-c3cn[nH]c3)c2c1N1CCCCC1
Cn1cc(cn1)-c1c[nH]c2nccc(N3CCCCC3)c12
C[C@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
Nc1cccc(n1)-c1c[nH]c2nccc(N3CCCCC3)c12
CNc1ccnc2[nH]cc(C#N)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cncnc3)c12
Fc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CC(CN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12)N1CCNCC1
C1CNC[C@H](C1)Oc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
Nc1ccc(cn1)-c1c[nH]c2nccc(N3CCCCC3)c12
N#Cc1c[nH]c2nccc(N3CCNCC3)c12
N[C@@]1(CCCNC1)Nc1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CCN(CC1)c1ccnc2[nH]cc(-c3cccnn3)c12
C1CN(C1)c1ccnc2[nH]cc(-c3cccnc3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3cnccn3)c12
Cc1cnc2[nH]cc(-c3cncnc3)c2c1N1CCCCC1
NC1(N)CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12
N#Cc1c[nH]c2nccc(N3CCCC3)c12
N#Cc1c[nH]c2nccc(N3CCOCC3)c12
N#Cc1c[nH]c2nccc(N3CCCC3Cc3ccccc3)c12
N#Cc1c[nH]c2nccc(N3CCCC3c3ccccc3)c12
CN1CCN(CC1)C(=O)[C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
CC1CC[C@]2(N)CCN(C[C@]12N)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
CN[C@H]1CCCN([C@H]1C)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
C1CN(C1)c1ccnc2[nH]cc(-c3cn[nH]c3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccccn3)c12
CN1CCN(CC1)c1ccnc2[nH]cc(C#N)c12
CN1CCCN(CC1)C(=O)[C@H]1CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
C1CN(C1)c1ccnc2[nH]cc(-c3ccccn3)c12
CCn1cc(cn1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3ccc4[nH]ncc4c3)c12
Cc1[nH]ncc1-c1c[nH]c2nccc(N3CCCCC3)c12
N[C@@]1(CNc2ccccc2)CCCN1c1ccnc2[nH]cc(C#N)c12 |r|
Nc1cnc2[nH]cc(-c3cc[nH]n3)c2c1N1CCCCC1
Nc1ncc(cc1C#N)-c1c[nH]c2nccc(N3CCCCC3)c12
Clc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
CNC(=O)c1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
N#Cc1cncc(c1)-c1c[nH]c2nccc(N3CCCCC3)c12
N#Cc1c[nH]c2nccc(N3CCCC(C3)c3ccccc3)c12
Cn1ccc(n1)-c1c[nH]c2nccc(N3CCCCC3)c12
C1CCN(CC1)c1ccnc2[nH]cc(-c3n[nH]c4ccccc34)c12
N#Cc1c[nH]c2nccc(N3CCCCC3Cc3ccccc3)c12
Cn1nccc1-c1c[nH]c2nccc(N3CCCCC3)c12
CC(C)N[C@H]1CCCN(C1)c1ccnc2[nH]cc(-c3cncnc3)c12 |r|
O=C([C@@H]1CCCN1c1ccnc2[nH]cc(C#N)c12)N1CCOCC1 |r|
Cc1ccc(C(=O)OCc2ccc(cc2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r|
CCOc1ccc(NC(=O)c2cccc(c2)[C@@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cn1 |r|
CCOc1ccc(NC(=O)c2cccc(c2)[C@H](CO)NC(=O)c2ccc(cc2)-c2ccncc2)cn1 |r|
Cc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn(c3C)-c3ccc(Cl)cc3)C2)c(s1)C(N)=O |r,wD:7.6,5.4,9.11,(-8.26,-3.58,;-6.73,-3.74,;-5.7,-2.6,;-4.29,-3.22,;-2.96,-2.45,;-2.96,-.91,;-1.87,.18,;-2.96,1.26,;-4.04,2.35,;-2.96,3.44,;-1.87,2.35,;-2.96,4.98,;-1.62,5.75,;-1.62,7.29,;-.29,4.98,;-.13,3.45,;1.38,3.13,;2.15,4.46,;1.12,5.61,;1.44,7.11,;3.68,4.63,;4.62,3.41,;6.15,3.61,;6.73,5.04,;8.26,5.24,;5.79,6.26,;4.26,6.05,;-4.04,.18,;-4.45,-4.76,;-5.96,-5.08,;-3.31,-5.79,;-1.84,-5.31,;-3.63,-7.29,)|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1c(sc2ccccc12)C(N)=O |r|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@@]2(C1)CC(C2)Oc1nn(CC2CC2)cc1C(N)=O |r,wD:23.31,21.23,(9.12,7.16,;8.65,5.69,;9.68,4.55,;10.15,6.01,;7.14,5.37,;6.11,6.52,;4.6,6.2,;3.57,7.34,;2.07,7.02,;1.59,5.56,;.18,4.93,;.34,3.4,;1.85,3.08,;2.62,4.41,;4.13,4.73,;5.16,3.59,;5.48,2.08,;6.62,3.11,;-1.15,5.7,;-1.15,7.24,;-2.48,4.93,;-2.48,3.39,;-3.57,2.3,;-2.48,1.21,;-1.39,2.3,;-3.57,.12,;-2.48,-.96,;-1.39,.12,;-2.48,-2.5,;-3.82,-3.27,;-5.22,-2.65,;-6.25,-3.79,;-7.79,-3.63,;-8.73,-4.85,;-10.15,-5.43,;-8.93,-6.38,;-5.48,-5.13,;-3.98,-4.81,;-2.83,-5.84,;-1.37,-5.36,;-3.15,-7.34,)|
CCc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)c(s1)C(N)=O |r,wD:6.5,8.7,10.12,(-9.42,-4.88,;-8.52,-3.63,;-6.99,-3.79,;-5.95,-2.65,;-4.55,-3.27,;-3.21,-2.5,;-3.21,-.96,;-2.13,.12,;-3.21,1.21,;-4.3,2.3,;-3.21,3.39,;-2.13,2.3,;-3.21,4.93,;-1.88,5.7,;-1.88,7.24,;-.55,4.93,;-.39,3.4,;1.12,3.08,;1.89,4.41,;3.4,4.73,;4.43,3.59,;4.75,2.08,;5.89,3.11,;3.87,6.2,;5.38,6.52,;6.41,5.37,;7.92,5.69,;8.95,4.55,;8.39,7.16,;9.42,6.01,;2.84,7.34,;1.34,7.02,;.86,5.56,;-4.3,.12,;-4.71,-4.81,;-6.22,-5.13,;-3.56,-5.84,;-2.1,-5.36,;-3.88,-7.34,)|
COCCc1nc(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3cnn4c(C5CC5)c(OCC(C)(C)O)ccc34)C2)c(s1)C(N)=O |r,wD:8.7,10.9,12.14,(-10.64,-5.96,;-9.74,-4.72,;-8.2,-4.88,;-7.3,-3.63,;-5.77,-3.79,;-4.74,-2.65,;-3.33,-3.27,;-2,-2.5,;-2,-.96,;-.91,.12,;-2,1.21,;-3.08,2.3,;-2,3.39,;-.91,2.3,;-2,4.93,;-.66,5.7,;-.66,7.24,;.67,4.93,;.83,3.4,;2.34,3.08,;3.11,4.41,;4.62,4.73,;5.65,3.59,;5.97,2.08,;7.11,3.11,;5.09,6.2,;6.6,6.52,;7.63,5.37,;9.13,5.69,;10.16,4.55,;9.61,7.16,;10.64,6.01,;4.06,7.34,;2.55,7.02,;2.08,5.56,;-3.08,.12,;-3.49,-4.81,;-5,-5.13,;-2.35,-5.84,;-.88,-5.36,;-2.67,-7.34,)|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1c(cnn1CCCN)C(N)=O |r|
NC(=O)c1sc(nc1O[C@H]1C[C@@]2(C[C@@H](C2)NC(=O)c2cnn3cc(OCC(F)(F)F)ccc23)C1)C1CC1 |r,wD:9.9,11.11,13.16,(-1.84,-5.36,;-3.3,-5.84,;-3.62,-7.34,;-4.45,-4.81,;-5.96,-5.13,;-6.73,-3.79,;-5.7,-2.65,;-4.29,-3.27,;-2.95,-2.5,;-2.95,-.96,;-1.87,.12,;-2.95,1.21,;-4.04,2.3,;-2.95,3.39,;-1.87,2.3,;-2.95,4.93,;-1.62,5.7,;-1.62,7.24,;-.29,4.93,;-.13,3.4,;1.38,3.08,;2.15,4.41,;3.66,4.73,;4.13,6.2,;5.64,6.52,;6.67,5.37,;8.18,5.69,;9.21,4.55,;8.65,7.16,;9.68,6.01,;3.1,7.34,;1.6,7.02,;1.12,5.56,;-4.04,.12,;-8.26,-3.63,;-9.48,-2.69,;-9.68,-4.22,)|
CC(C)(O)COc1ccc2c(cnn2c1C1CC1)C(=O)N[C@H]1C[C@@]2(C1)CC(C2)Oc1nn(cc1C(N)=O)C1CC1 |r,wD:23.31,21.23,(9.21,4.55,;8.18,5.69,;8.65,7.16,;9.68,6.01,;6.67,5.37,;5.64,6.52,;4.13,6.2,;3.1,7.34,;1.6,7.02,;1.12,5.56,;-.29,4.93,;-.13,3.4,;1.38,3.08,;2.15,4.41,;3.66,4.73,;4.69,3.59,;5.01,2.08,;6.15,3.11,;-1.62,5.7,;-1.62,7.24,;-2.95,4.93,;-2.95,3.39,;-4.04,2.3,;-2.95,1.21,;-1.87,2.3,;-4.04,.12,;-2.95,-.96,;-1.87,.12,;-2.95,-2.5,;-4.29,-3.27,;-5.7,-2.65,;-6.73,-3.79,;-5.96,-5.13,;-4.45,-4.81,;-3.3,-5.84,;-1.84,-5.36,;-3.62,-7.34,;-8.26,-3.63,;-9.48,-2.69,;-9.68,-4.22,)|
Cc1nn(C)c2nc(OC3CC4(CC(C4)NC(=O)c4cnn5cc(OCC(C)(C)O)ccc45)C3)c(cc12)C(N)=O |(-9.07,-6.86,;-8.6,-5.4,;-9.5,-4.15,;-8.6,-2.91,;-9.07,-1.44,;-7.13,-3.38,;-5.8,-2.61,;-4.47,-3.38,;-3.13,-2.61,;-3.13,-1.07,;-2.04,.02,;-3.13,1.1,;-2.04,2.19,;-3.13,3.28,;-4.22,2.19,;-3.13,4.82,;-1.8,5.59,;-1.8,7.13,;-.47,4.82,;-.3,3.29,;1.2,2.97,;1.97,4.3,;3.48,4.62,;3.95,6.09,;5.46,6.41,;6.49,5.26,;8,5.58,;9.03,4.44,;8.47,7.05,;9.5,5.91,;2.92,7.23,;1.42,6.91,;.94,5.45,;-4.22,.02,;-4.47,-4.92,;-5.8,-5.69,;-7.13,-4.92,;-3.13,-5.69,;-3.13,-7.23,;-1.8,-4.92,)|
NC(=O)c1c(O[C@H]2C[C@@]3(C[C@@H](C3)NC(=O)c3ccn4cc(OCC(F)F)ccc34)C2)nn2ccccc12 |r,wD:10.12,8.8,6.5,(-2,-5.5,;-3.49,-5.9,;-3.88,-7.39,;-4.57,-4.81,;-4.41,-3.28,;-3.08,-2.51,;-3.08,-.97,;-1.99,.12,;-3.08,1.21,;-4.17,2.3,;-3.08,3.39,;-1.99,2.3,;-3.08,4.93,;-1.75,5.7,;-1.75,7.24,;-.41,4.93,;-.25,3.39,;1.26,3.07,;2.03,4.41,;3.53,4.73,;4.01,6.19,;5.5,6.59,;6.58,5.5,;8.07,5.9,;8.47,7.39,;9.16,4.81,;2.98,7.34,;1.47,7.02,;.99,5.55,;-4.17,.12,;-5.82,-2.65,;-6.85,-3.8,;-8.39,-3.8,;-9.16,-5.13,;-8.39,-6.47,;-6.85,-6.47,;-6.08,-5.13,)|
CC(C)n1nc(C(=O)N[C@H]2C[C@]3(C2)C[C@@H](C3)Oc2nn3ccc(C)cc3c2C(N)=O)c2ccc(OCC(C)(C)O)cc12 |r|
CC(C)CNc1nnc(s1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)Oc1nc2c(C)c(C)sc2cc1C(N)=O |r|
O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1
Cc1[nH]ncc1-c1ccc2cc(C(=O)NCc3ccccc3F)n(C)c2n1
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1ccccc1F
COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2n1C)-c1cn[nH]c1
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1ccccc1F
COc1cccc(c1)C1(CC1)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1c(Cl)cccc1C1(O)CC1
COc1cccc(OC)c1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C
COc1cccc(F)c1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1C
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1c(Cl)cccc1OC1COC1
Cc1[nH]ncc1-c1ccc2cc([nH]c2n1)C(=O)NCc1ccccc1OC1COC1
CCOc1cc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c(F)cc1C#N
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1cccc(c1)C1(O)CC1
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NC1(CC1)c1cccc(c1)C(C)(C)F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1CF
Cn1c(cc2ccc(nc12)-c1cn[nH]c1C(F)(F)F)C(=O)NCc1ccccc1F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1C(F)F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1cccc(c1)C(F)(F)F
Cn1c(cc2ccc(nc12)-c1cn[nH]c1)C(=O)NCc1ccccc1C(F)(F)F
COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
O=C(NCc1ccncc1)c1c[nH]c2nc(ccc12)-c1cn[nH]c1
O=C(c1ccc2c(c1)CN(c1nccc(Nc3ccc4c(=O)[nH]ccc4c3)n1)C2)N1CC(F)(F)C1
O=C1NCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)C4CC(F)(F)C4)C5)ncc3F)ccc21
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]cc(Cl)c5c4)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]cnc5c4)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C(c1cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2[nH]1)N1CC(F)(F)C1
O=C(OC1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)OC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ncc5c4)n3)cc2C1
O=C(C1CCC(F)(F)CC1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)OC4CC(F)(F)C4)C5)ncc3F)ccc21
O=C(C1CC(F)(F)C1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
O=C(OC1CC(F)(F)C1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
CC(C)(C)OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
CC(OC(=O)N5Cc4ccc(c3ncc(F)c(Nc2ccc1c(=O)[nH]ccc1c2)n3)cc4C5)C(F)(F)F
O=C(OC1CCOC1)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
COCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc21
COCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc21
COCn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3ncnc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc21
O=C(OC1CC(F)(F)C1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
CC(C)(C)OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
O=C(OC1CC(F)(F)C1)N1CCc2cc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
O=C(OC1CCC1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
O=C(OC1CC(F)(F)C1)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)OC4CC(F)(F)C4)C5)ncc3F)ccc21
O=C(OC1CCC(F)(F)CC1)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1
CC(CC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4ccc5c(N)nccc5c4)n3)cc21
CC(OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1)C(F)(F)F
CC(OC(=O)N1CCc2cc(-c3nccc(Nc4ccc5c(c4)CCNC5=O)n3)ccc2C1)C(F)(F)F
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)N4CCC(F)(F)CC4)C5)ncc3F)ccc21
CC(C)(C)OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
CC(OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
O=C(N1CCc2cc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc2C1)N1CC(F)(F)C1
CC(C)(C)OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(N)nccc5c4)n3)cc2C1
CC(OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1CCc2sc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
CC(CC(=O)N1Cc2ccc(-c3nc(Nc4ccc5c(=O)[nH]ccc5c4)c4ccccc4n3)cc2C1)C(F)(F)F
CC(C)(C)CC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
O=C(C1CC(F)(F)C1)N1Cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(CC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
CC(C)(C)CC(=O)N1Cc2ccc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(C)(C)CC(=O)N1CCc2sc(-c3nccc(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(CC(=O)N1CCc2sc(-c3nccc(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
CC(OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ncc5c4)n3)cc2C1)C(F)(F)F
O=C1NCCc2cc(Nc3nc(-c4cc5c(s4)CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)C5)ncc3F)ccc21
O=C(N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)C(F)(F)F
O=C(CCC(F)(F)F)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)CCC(F)(F)F)C5)ncc3F)ccc21
C[C@@H](OC(=O)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
CC(OC(=O)N5Cc4ccc(c3ncc(F)c(Nc2ccc1C(=O)NCCc1c2)n3)cc4C5)C(F)(F)F
CC(OC(=O)N5Cc4ccc(c3ncc(F)c(Nc2ccc1C(=O)NCCc1c2)n3)cc4C5)C(F)(F)F
O=C(CCC(F)(F)F)N1CCc2sc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
O=C1NCCc2cc(Nc3nc(-c4cc5c(s4)CCN(C(=O)CCC(F)(F)F)C5)ncc3F)ccc21
O=C(CCC(F)(F)F)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21
CC(CC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21)C(F)(F)F
O=C(OCC(F)(F)F)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1
CC(OC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)ccc21)C(F)(F)F
CC(CC(=O)N1CCc2cc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)ccc21)C(F)(F)F
O=C1NCCc2cc(Nc3nc(-c4cc5c(s4)CCN(C(=O)OCC(F)(F)F)C5)ncc3F)ccc21
CC(C)(C)OC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
CN(CC(F)(F)F)C(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1
O=C(N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(=O)[nH]ccc5c4)n3)cc2C1)N1CC(F)(F)C1
O=C1NCCc2cc(Nc3nc(-c4ccc5c(c4)CN(C(=O)N4CC(F)(F)C4)C5)ncc3F)ccc21
CC(C)(CC(=O)N1Cc2ccc(-c3ncc(F)c(Nc4ccc5c(c4)CCNC5=O)n3)cc2C1)C(F)(F)F
O=C(CNc1ccccc1)N\N=C\c1ccncc1
Clc1ccccc1NCC(=O)N\N=C\c1ccncc1
Clc1ccc(NCC(=O)N\N=C\c2ccncc2)cc1
COc1ccccc1NCC(=O)N\N=C\c1ccncc1
COc1ccc(NCC(=O)N\N=C\c2ccncc2)cc1
O=C(CNc1ccccc1)N\N=C1/CCCc2cnccc12
COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1
O=C(CNc1cccc(Oc2ccccc2)c1)N\N=C1/CCCc2cnccc12
O=C(CNc1cccc(OCc2ccccc2)c1)N\N=C1/CCCc2cnccc12
O=C(CNc1cccc(c1)C(=O)NCc1ccccc1)N\N=C1/CCCc2cnccc12
Clc1ccc(SCc2nc(n[nH]2)-c2ccncc2)cc1
Clc1cccc(OCc2n[nH]c(n2)-c2ccncc2)c1
Clc1ccc(CSc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccc(CNc2nc(n[nH]2)-c2ccncc2)cc1
C(NCc1ccccc1)c1nc(n[nH]1)-c1ccncc1
Clc1ccc(NCCc2nc(n[nH]2)-c2ccncc2)cc1
C(Nc1ccccc1)c1nc(n[nH]1)-c1ccncc1
COc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
COc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
Clc1ccccc1NCc1nc(n[nH]1)-c1ccncc1
NS(=O)(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
NS(=O)(=O)c1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
C(Nc1cccc(OCc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
C(Cc1ccccc1)Oc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
C(Nc1cccc(SCc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
O=S(=O)(Cc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(Nc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CC(=O)Nc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CC(=O)Nc1cc(NCc2nc(n[nH]2)-c2ccncc2)ccc1Cl
Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1NC(=O)Cc1ccccc1
O=C(Cc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1)NCc1ccccc1
Cc1cc(ccn1)-c1n[nH]c(CNc2ccc(Cl)cc2)n1
OCc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
OCCc1cnccc1-c1n[nH]c(CNc2ccc(Cl)cc2)n1
NC(=O)OCc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCc2ccccc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCCc2ccccc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(n[nH]2)-c2ccncc2)c1
Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1
O=C(NCc1ccccc1)c1cccc(NCc2nc(c[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(no2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2c[nH]c(n2)-c2ccncc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
O=C(NCc1ccccc1)c1cccc(NCc2ccn(c2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nnc(o2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(cs2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2csc(n2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2[nH]nc(c2-c2ccccc2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)c1
COc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1
Clc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2cccc(c2)C(F)(F)F)nnc1-c1ccncc1
Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1
CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
O=C(NCc1ccccc1)c1cccc(NCc2nnc(-c3ccncc3)n2Cc2ccccc2)c1
COCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
OCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1
Fc1cccc(F)c1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1
CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
Clc1cccc(NCC(=O)N\N=C\c2ccncc2)c1
COc1cccc(NCC(=O)N\N=C\c2ccncc2)c1
CCOc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1
Clc1ccc(cc1)C(=O)Nc1nc(n[nH]1)-c1ccncc1
COc1ccccc1NCc1nc(n[nH]1)-c1ccncc1
Clc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
C(Nc1cccc(Oc2ccccc2)c1)c1nc(n[nH]1)-c1ccncc1
O=S(=O)(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
CN(Cc1ccccc1)C(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)Nc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1
Cc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1
CNc1cc(ccn1)-c1nnc(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)n1C
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccnc(NCCCc2ccccc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(on2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2cc(c[nH]2)-c2ccncc2)c1
O=C(NCc1ccccc1)c1cccc(NCc2nc(no2)-c2ccncc2)c1
COc1ccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)cc1
Cn1c(CNc2cccc(c2)C(=O)NCc2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1
COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)n2C)c1
CC(C)n1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1
Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1
O=C(CNc1cccc(c1)C(=O)N1CCOCC1)N\N=C1/CCCc2cnccc12
Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1
CC(=O)Nc1cc(ccn1)-c1nnc(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)n1C
COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r|
C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(CCC(F)(F)F)cn3CCN3CCCC3)c12 |r|
C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)-c3ccc(F)c(c3)C(F)(F)F)c12 |r|
C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)C(F)(F)F)c12 |r|
C[C@@H]1CC(=O)Nc2ncnc(N3CCC(CC3)c3nc(cn3CCN3CCCC3)C3CCOCC3)c12 |r|
[H][C@]12CCCCN1[C@@H](C\C(C)=C\C=C\CCO)[C@H](O)[C@@]2(C)O |r|
C\C(\C=C\C1CC1)=C/[C@H]1[C@H](O)[C@@](C)(O)c2cccc[n+]12 |r|
[H][C@@]12CCN3[C@@H](\C=C(/C)\C=C\C4CC4)[C@H](O)[C@@](C)(O)[C@@]3([H])[C@]1([H])O2 |r|
[H][C@]12[C@H](O)[C@@H](Cl)CCN1[C@@H](C\C(C)=C/C=C/CCO)[C@H](O)[C@@]2(C)O |r|
C\C(\C=C\C1CC1)=C/[C@H]1[C@H](O)[C@@](C)(O)c2c(O)ccc[n+]12 |r|
[H][C@]12[C@H](O)[C@@H](Cl)CCN1[C@@H](\C=C(/C)\C=C\C1CC1)[C@H](O)[C@@]2(C)O |r|
[H][C@]12[C@H](O)[C@@H](O)CCN1[C@@H](\C=C(/C)\C=C\C1CC1)[C@H](O)[C@@]2(C)O |r|
[H][C@]12CCCCN1[C@@H](\C=C(/C)\C=C\C1CC1)[C@H](O)[C@@]2(C)O |r|
[H][C@]12[C@H](O)[C@@H](Cl)CCN1[C@@H](C\C(C)=C\C=C\CCO)[C@H](O)[C@@]2(C)O |r|
[H][C@@]12CC(=O)O[C@]1([H])c1oc(=O)c3ccc([C@H]4C[C@H]([C@H](O)[C@@H](C)O4)N(C)C)c(O)c3c(=O)c1[C@@H](C)O2 |r|
C[C@H]1O[C@H](C[C@H]([C@@H]1O)N(C)C)c1ccc2C(=O)C3=C([C@@H](C)O[C@@H]4CC(=O)O[C@H]34)C(=O)c2c1O |r,t:18|
COC(=O)C[C@@H]1C[C@@]2(O)C(=O)c3ccc([C@H]4C[C@H]([C@H](O)[C@@H](C)O4)N(C)C)c(O)c3C(=O)[C@]2(O)[C@@H](C)O1 |r|
COC(=O)C[C@H]1O[C@H](C)c2c(oc(=O)c3ccc([C@H]4C[C@H]([C@H](O)[C@@H](C)O4)N(C)C)c(O)c3c2=O)[C@H]1O |r|
COC(=O)C[C@H]1OC(C)=C2C(=O)c3c(O)c(ccc3C(=O)C2=C1O)[C@H]1C[C@H]([C@H](O)[C@@H](C)O1)N(C)C |r,c:23,t:8|
C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
[H][C@]12C[C@H](NC(C)=O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccc(O)cc3c21
C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H](C[C@@H](N)[C@H]1O)n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NCc4c3c2c1
[H][C@]12C[C@](O)([C@@H](O)[C@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(O)ccc5n2c4c13 |r|
C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4cc(O)ccc4[nH]c3c12 |r|
[H][C@]12C[C@](O)([C@@H](O)[C@@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5cc(O)ccc5n2c4c13 |r|
c1ncc(o1)-c1cccc(n1)-c1cnc(o1)-c1cccc(n1)-c1cccc(n1)-c1ncc(o1)-c1cccc(n1)-c1cnco1
CN(C)CCOc1cc(nc(c1)-c1ncc(o1)-c1ccc(cn1)-c1cnco1)-c1ncc(o1)-c1ccc(cn1)-c1cnco1
c1ncc(o1)-c1ccc(nc1)-c1cnc(o1)-c1cccc(n1)-c1ncc(o1)-c1ccc(cn1)-c1cnco1
C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccncc1
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
C[C@@H]1C[C@H](N)C[C@@H](C1)c1ccncc1NC(=O)c1ccc(F)c(n1)-c1c(F)cccc1F |r,wU:6.8,3.3,1.0,(-.67,2.69,;-2,1.93,;-3.33,2.69,;-4.67,1.93,;-6,2.69,;-4.67,.38,;-3.33,-.38,;-2,.38,;-3.33,-1.93,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-2,-2.69,;-.67,-1.93,;.67,-2.69,;.67,-4.23,;2,-1.93,;3.33,-2.69,;4.67,-1.93,;4.67,-.38,;6,.38,;3.33,.38,;2,-.38,;3.33,1.93,;4.67,2.69,;6,1.93,;4.67,4.23,;3.33,5,;2,4.23,;2,2.69,;.67,1.93,)|
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
[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|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncn1 |r|
CCCOc1cccc(c1)[C@@H](CCN1CCCCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CC[C@@H](CN)C1)-c1ccncn1 |r|
O=C(NCc1ccccc1)c1ccc(cc1)-c1ccncc1
O=C(NCc1cccc(OCCN2CCOCC2)c1)c1ccc(cc1)-c1ccncc1
COc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](CCN1CCOCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
CCCOc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
CCCOc1cccc(c1)[C@@H](CCO)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
CCCOc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCN)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@@H](CN)C1)-c1ccncn1 |r|
CCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1OC
O=C(NCc1cccc2OCCOc12)c1ccc(cc1)-c1ccncc1
O=C(NCc1cccc2OCCCOc12)c1ccc(cc1)-c1ccncc1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(N)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(C)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc(C)nc(C)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1F |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCC2CC2)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCC(C)(C)O)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCCO)c1 |r|
COc1cccc(c1)[C@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnnc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC(CN)CC1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CCC[C@H](CN)C1)-c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(NCCCO)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCCCN)-c1ccncc1 |r|
COc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
CN(C)CCCOc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccnc(Cl)c1 |r|
CCNc1cc(ccn1)-c1ccc(cc1)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
O=C(N[C@H](CCN1CCCC1)c1ccccc1)c1ccc(cc1)-c1ccncc1 |r|
Fc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1NCCN)-c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cc1N1CC[C@H](CN)C1)-c1ccncn1 |r|
FC(F)(F)Oc1cccc(CNC(=O)c2ccc(cc2)-c2ccncc2)c1
COc1cccc(c1)[C@@H](CCN1CCCC1)NC(=O)c1ccc(cc1)-c1ccncc1 |r|
COc1nc(N[C@H]2CC[C@H](N)CC2)c(F)cc1C(N)=O |r,wU:9.9,wD:6.5,(18.24,-11.28,;18.24,-9.74,;16.91,-8.97,;15.58,-9.74,;14.25,-8.96,;12.91,-9.73,;11.58,-8.96,;11.58,-7.42,;10.25,-6.64,;8.92,-7.42,;7.59,-6.65,;8.92,-8.96,;10.25,-9.72,;14.24,-7.43,;12.91,-6.66,;15.57,-6.66,;16.91,-7.43,;18.25,-6.66,;19.58,-7.43,;18.25,-5.12,)|
COc1c(cccc1-c1nc2ccc3[nH]ncc3c2c2CCCc12)B(O)O
CN(\N=C\c1ccccc1)S(=O)(=O)c1cccc2cnccc12
Cc1ccc(C(=O)OCC2=CCC(C=C2)[C@@H](CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1 |r,c:13,t:9|
Nc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)cc1F
CCCC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)Oc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(Br)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)c1
COc1cc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)ccc1C=O
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc(C(C)=O)c(F)c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3OCOc3c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3OCCOc3c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occ(C)c3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(occc3=O)c2C)c1
CC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CCCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Fc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccc(cc2)C#N)c1
CCOc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COC(=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
[O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)(C)c1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)c1ncc(s1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1cc(no1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
OC(=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)ccc1C
CN(C)c1ccc(cc1)C(=O)Nc1ccc(C)c(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1C
CN(C)c1ccc(cc1)C(=O)Nc1cc(F)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)cc(C)c1C
CN(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)occc3=O)cc1C
CN(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)occc3=O)cc1C(F)(F)F
CN(C)c1ccc(cc1)C(=O)Nc1ccc(CNC(=O)COc2ccc3c(c2)occc3=O)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3NC(=O)CCc3c2)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3C(=O)CCOc3c2)c1
O=C(COc1ccc2c(c1)occc2=O)Nc1cccc(NC(=O)c2ccccc2)c1
Cc1nc(cs1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cn1ccc(n1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3CCC(=O)Nc3c2)c1
COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(cc3)N(C)C)c2)cc1OC
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3occc(=O)c3c2)c1
Cc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
[O-][N+](=O)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cc1cc(ccc1C(F)(F)F)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
NCc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(NC(=O)COc2ccc3c(c2)occc3=O)cc(c1)C(F)(F)F
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Brc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Nc1cccc(c1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1cc(C)cc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cc1)C(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)occc3=O)cc1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NS(=O)(=O)COc2ccc3c(c2)occc3=O)c1
COc1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
NC(=O)c1cccnc1OC1C[C@]2(CC(C2)Nc2nc3cc(F)c(Br)cc3s2)C1 |r,wD:12.12,(12.1,-19.63,;10.77,-20.4,;10.77,-21.94,;9.43,-19.63,;8.1,-20.41,;6.76,-19.63,;6.76,-18.09,;8.09,-17.32,;9.43,-18.08,;10.76,-17.31,;10.75,-15.77,;11.84,-14.68,;10.74,-13.59,;11.83,-12.49,;10.73,-11.41,;9.64,-12.5,;10.73,-9.87,;12.06,-9.09,;12.21,-7.56,;13.71,-7.23,;14.47,-5.91,;16,-5.9,;16.77,-4.56,;16.78,-7.23,;18.32,-7.22,;16.02,-8.56,;14.48,-8.56,;13.46,-9.71,;9.66,-14.69,)|
COc1cnc(NC2C[C@@]3(C2)CC(C3)Oc2ncccc2C(N)=O)c2cc(Cl)ccc12 |r,wD:9.11,(18.49,-6.24,;17.15,-5.48,;15.83,-6.25,;14.48,-5.48,;13.16,-6.26,;13.17,-7.79,;11.84,-8.56,;11.85,-10.1,;12.95,-11.2,;11.85,-12.3,;10.76,-11.21,;12.96,-13.39,;11.87,-14.47,;10.77,-13.39,;11.87,-16.01,;10.54,-16.79,;9.2,-16.02,;7.88,-16.8,;7.87,-18.35,;9.21,-19.11,;10.55,-18.34,;11.88,-19.11,;13.21,-18.34,;11.88,-20.65,;14.5,-8.55,;14.5,-10.08,;15.82,-10.85,;15.82,-12.38,;17.15,-10.08,;17.15,-8.55,;15.83,-7.79,)|
COc1ccc2c(NC3C[C@@]4(C3)CC(C4)Oc3ncccc3C(N)=O)nccc2c1 |r|
NC(=O)c1cccnc1OC1C[C@]2(CC(C2)Nc2ncc(cn2)C#N)C1 |r,wD:12.12,(38.78,-20.7,;37.45,-21.47,;37.46,-23.01,;36.12,-20.7,;34.78,-21.47,;33.45,-20.7,;33.45,-19.16,;34.78,-18.38,;36.11,-19.15,;37.44,-18.37,;37.44,-16.83,;38.53,-15.75,;37.43,-14.66,;38.52,-13.56,;37.42,-12.47,;36.33,-13.57,;37.41,-10.93,;38.74,-10.16,;38.73,-8.63,;40.05,-7.85,;41.39,-8.62,;41.4,-10.16,;40.07,-10.92,;42.72,-7.86,;44.04,-7.08,;36.35,-15.76,)|
COc1ccc2ncnc(NC3C[C@@]4(C3)CC(C4)Oc3ncccc3C(N)=O)c2c1 |r,wD:13.15,(60.33,-13.36,;58.99,-12.6,;58.99,-11.06,;60.32,-10.28,;60.32,-8.75,;58.99,-7.99,;58.99,-6.45,;57.64,-5.68,;56.32,-6.46,;56.33,-7.99,;55,-8.77,;55.01,-10.31,;56.1,-11.4,;55.02,-12.49,;53.92,-11.4,;56.11,-13.58,;55.03,-14.67,;53.94,-13.59,;55.03,-16.21,;53.7,-16.99,;52.37,-16.22,;51.04,-16.99,;51.04,-18.54,;52.37,-19.31,;53.71,-18.54,;55.04,-19.3,;56.38,-18.53,;55.05,-20.84,;57.66,-8.76,;57.66,-10.29,)|
NC(=O)c1cccnc1OC1C[C@]2(CC(C2)Nc2nc3c(Cl)cccc3s2)C1 |r,wD:12.12,(32.47,-18.29,;31.14,-19.06,;31.14,-20.6,;29.8,-18.3,;28.47,-19.07,;27.13,-18.3,;27.14,-16.75,;28.46,-15.98,;29.8,-16.75,;31.13,-15.97,;31.12,-14.43,;32.21,-13.35,;31.11,-12.26,;32.2,-11.16,;31.1,-10.07,;30.02,-11.17,;31.1,-8.53,;32.43,-7.76,;33.83,-8.38,;34.85,-7.23,;36.38,-7.23,;37.16,-8.56,;37.15,-5.9,;36.37,-4.57,;34.84,-4.58,;34.08,-5.9,;32.53,-6.23,;30.03,-13.35,)|
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
COc1ccc2OC[C@@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1ccncc1 |r|
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1c[nH]nc1C
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1ccncc1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1ccncc1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1ccncc1
COc1ccc2OC[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1ccncc1 |r|
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1ccncc1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1ccncc1
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1cccc(Cn2cnc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2ncc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2ccc3cc(ccc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccncc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2cccnc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc(cc2)-c2ccncc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(F)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(Cl)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(C)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(OC)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccc(N)nc2)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1
COc1cccc(Cn2cnc3sc(cc3c2=O)-c2cccc3[nH]ccc23)c1
Fc1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1
FC(F)(F)c1cccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)c1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc1OC
COc1cc(Cn2cnc3sc(cc3c2=O)-c2ccnc3[nH]ccc23)cc(OC)c1
Nc1cc(ccn1)-c1cc2c(ncn(Cc3cccc(F)c3)c2=O)s1
Nc1cc(ccn1)-c1cc2c(ncn(Cc3cccc(c3)C(F)(F)F)c2=O)s1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1
COc1ccc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc1OC
COc1cc(Cn2cnc3sc(cc3c2=O)-c2ccnc(N)c2)cc(OC)c1
CCC(O)CNCc1ccnc2ccc(OC)cc12
COCSC(C)CCSCCO
COC(=O)c1ccc(cc1)N(C)C(C(=O)c1ccccc1)c1ccccc1
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12 |r|
NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
CC(N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12
COc1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1 |r|
COc1cc(NC(=O)[C@H](N)Cc2ccccc2)ccc1-c1cn[nH]c1 |r|
COc1cc(NC(=O)[C@H](O)c2ccccc2Cl)ccc1-c1cn[nH]c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@@H](c1ccccc1F)C(C)(C)O |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1c(F)cccc1F |r|
COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cn[nH]c1
COc1cc(NC(=O)[C@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1 |r|
COc1cc(NC(=O)[C@H](N)c2ccccc2Cl)ccc1-c1cn[nH]c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(-c2cn[nH]c2)c(c1)C#N |r|
CCc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](C)c1ccccc1F |r|
COc1cc(NC(=O)Cc2ccccc2Cl)ccc1-c1cnco1
COc1cc(NC(=O)[C@H](N)Cc2ccc(Cl)c(Cl)c2)ccc1-c1cn[nH]c1 |r|
COc1cc(ccc1-c1cn[nH]c1)C(=O)N[C@H](CO)c1c(F)cccc1F |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc-2c(COc3cnccc-23)c1 |r|
N[C@@H](COc1ccc-2c(OCc3cnccc-23)c1)Cc1ccccc1 |r|
C[C@H]1CCNCCN1S(=O)(=O)c1cccc2cncc(F)c12 |r|
Cc1cncc2sc(NC(=O)C3CC3c3cc(cs3)C(=O)NCc3ncccn3)cc12
O=C(Nc1nc2ccncc2s1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cnccc2n1)[C@@H]1C[C@H]1c1ccc(cc1)S(=O)(=O)Nc1ccccn1 |r|
O=C(Nc1ccc2cnccc2n1)C1CC1c1ccccc1
O=C(Nc1nc2ccncc2s1)C1CC1c1ccccc1
Cc1cncc2sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc12 |r|
CN(C)C(=O)Cc1sc(NC(=O)C2COc3ccccc3O2)nc1-c1ccncc1
CN(C)CCc1sc(NC(=O)C2COc3ccccc3O2)nc1-c1ccncc1
O=C(Nc1nc(c(CN2CCOCC2)s1)-c1ccncc1)c1cccnc1
O=C(Nc1nc(c(CN2CCOCC2)s1)-c1ccncc1)c1ccncc1
O=C(Nc1nc(c(CN2CCOCC2)s1)-c1ccncc1)C1COc2ccccc2O1
O=C(Nc1nc(c(CN2CCOCC2)s1)-c1cccnc1)C1COc2ccccc2O1
O=C(Nc1nc(c(CN2CCCC2)s1)-c1cccnc1)C1COc2ccccc2O1
CN(C)Cc1sc(NC(=O)C2COc3ccccc3O2)nc1-c1cccnc1
O=C(Nc1nc(c(s1)N1CCOCC1)-c1ccncc1)C1COc2ccccc2O1
CCN(CC)CC=Cc1[nH]c(=O)c2c3n(C)c(Nc4c(Cl)cccc4Cl)nc3ccc2c1C |w:6.5|
COc1cccc(CN2COc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCCc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CC(C)(C)Oc3cc(ccc3C2=O)-c2ccc3[nH]ncc3c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc3OCOc3c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccnc(N)c2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccc(N)nc2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cncnc2)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccnc3[nH]ccc23)c1
COc1cccc(CN2CCOc3cc(ccc3C2=O)-c2cnc3[nH]ccc3c2)c1
COc1cccc(CN2CCOc3ccc(cc3C2=O)-c2ccncc2)c1
FC(F)(F)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
FC(F)(F)Oc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
O=C1N(Cc2cccc(c2)C#N)CCOc2cc(ccc12)-c1ccncc1
COC(=O)c1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
O=Cc1cccc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)c1
COc1cc(CN2CCOc3cc(ccc3C2=O)-c2ccncc2)cc(OC)c1
OC[C@@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r|
Cl.Cl.C[C@@H]1CNCCCN1Sc1cccc2cncc(C)c12 |r|
CC(C)C[C@](C)(N)COc1ccc(cc1C(F)F)-c1ccnc(c1)C(F)F |r|
NCCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCCCC(=O)N1CCN(CC1)C1N=CN=C2NC=CC12)C(N)=O |r,c:92,97,t:94|
CCOC(=O)[C@H](Cc1c(O)cc(C)c2c(O)c3C(=O)CC[C@H](O)c3cc12)C(=O)OC |r|
CCOC(=O)[C@@H](Cc1c(O)cc(C)c2c(O)c3C(=O)CC[C@H](O)c3cc12)C(=O)OC |r|
c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3
CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
COc1cccc(CC(=O)Nc2cc(cs2)-c2ccnc(F)c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(cn1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nn1)-c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccncc1 |r|
C[C@H](c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3
COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@@H](C[C@H]1C)c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@H](C[C@@H]1C)c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@@H](C[C@@H]1C)c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@H](C[C@H]1C)c1ccncc1 |r|
C[C@H](c1cccc(c1)OC)NC(=O)C2CCC(CC2)c3ccncc3
COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@H](CC1)c1ccncc1 |r,wU:16.20,13.13,8.9,(8.46,.72,;7.68,2.05,;6.14,2.04,;5.37,3.37,;3.83,3.36,;3.06,2.02,;3.84,.7,;5.38,.7,;3.08,-.64,;3.86,-1.97,;1.54,-.65,;.78,-1.99,;1.56,-3.32,;-.76,-2,;-1.52,-3.34,;-3.06,-3.35,;-3.84,-2.02,;-3.08,-.68,;-1.54,-.67,;-5.38,-2.02,;-6.16,-.7,;-7.7,-.7,;-8.46,-2.04,;-7.68,-3.37,;-6.14,-3.36,)|
COc1cccc(c1)[C@@H](C)NC(=O)[C@H]1CC[C@@H](C[C@H]1C)c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[C@@H]1C)c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(CC1)c1ccncc1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C(=O)C1)c1ccncc1 |r|
C[C@H](c1cccc(c1)OC)NC(=O)N2CCN(CC2)c3ccncc3F
COc1cccc(c1)[C@@H](C)NC(=O)N1CCC(CC1)c1ccncc1F |r|
COc1ccc(F)c(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|
COc1ccc(Cl)c(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|
COc1cc(F)cc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|
COc1cc(ccc1F)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|
COc1cccc([C@@H](C)NC(=O)N2CCN(C[C@H]2C)c2ccncc2F)c1F |r|
C[C@@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)c1cccc2nccn12 |r|
C[C@@H](NC(=O)N1CCN(C[C@H]1C)c1ccncc1F)c1cccn2nccc12 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccnc(F)c1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncn1 |r|
COc1cccc(c1)[C@@H](C)NC(=O)N1CCN(C[C@H]1C)c1ccncc1F |r|
O=C(COc1cccc2c1cc[nH]c2=O)c1ccccc1
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCO[N+]([O-])=O |r|
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCCO[N+]([O-])=O |r|
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCCCO[N+]([O-])=O |r|
C[C@H]1CN(CCCN1S(=O)(=O)c1cccc2cncc(F)c12)C(=O)OCCCCCO[N+]([O-])=O |r|
[H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2OC(=O)N1CCCN([C@@H](C)C1)S(=O)(=O)c1cccc2cncc(F)c12 |r|
C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
CN(C)C(C(=O)Nc1ccc2c(cc[nH]c2=O)c1)c1ccsc1
OCCOc1cccc(CN2CCC(C2)Nc2cccc3cnccc23)c1
O=c1[nH]ccc2cc(OC3CCNCC3)ccc12
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O
COCCN(Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN[C@H](C)C(N)=O
CNC(=O)[C@H]1CCCN1Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(=O)N(C)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CO)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(CCN(C)C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@H]1C(N)=O
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O
CNC(=O)[C@@H](C)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1C(N)=O
COC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H](C)C(=O)N(C)C
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC(C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O
COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1CCNC1=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)CC(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC1
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCN(C)CC1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@H]1CC(N)=O
COCC[C@H](N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](CN(C)C)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@@H](C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O
CO[C@@H]1C[C@@H](N(Cc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCC[C@@H]1C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C)C1)C(N)=O
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(CC1)C(C)C)C(N)=O
Oc1ccc(\C=C\C(=O)N2CCN(CC2)S(=O)(=O)c2cccc3cnccc23)cc1O
Oc1ccc(\C=C\C(=O)N2CCCN(CC2)S(=O)(=O)c2cccc3cnccc23)cc1O
Oc1ccc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cccc3cnccc23)cc1O
Oc1ccc(CCC(=O)N2CCCN(CC2)S(=O)(=O)c2cccc3cnccc23)cc1O
COc1cc(\C=C\C(=O)N2CCN(CC2)S(=O)(=O)c2cccc3cnccc23)ccc1O
COc1cc(\C=C\C(=O)N2CCCN(CC2)S(=O)(=O)c2cccc3cnccc23)ccc1O
COc1cc(CCC(=O)N2CCN(CC2)S(=O)(=O)c2cccc3cnccc23)ccc1O
COc1cc(CCC(=O)N2CCCN(CC2)S(=O)(=O)c2cccc3cnccc23)ccc1O
COC(=O)Nc1cc(ccn1)-c1ccc(OC[C@@](C)(N)CC(C)C)c(n1)C(F)F |r|
COC(=O)Nc1cc(ccn1)-c1cc(C)c(OC[C@@](C)(N)CC(C)C)cn1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(C)c1 |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(c1)C#N |r|
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1 |r|
C[C@H]1CCNCCN1S(=O)(=O)c1cccc2cncc(C)c12 |r|
CCC1Oc2cnccc2-c2ccc(cc12)C(=O)N[C@@H](C)c1cccc(OC)c1 |r|
COC(=O)c1cccc(CNC(=O)c2ccc-3c(c2)C(C)Oc2cnccc-32)c1
COc1c(cccc1-c1ccc2c3cn[nH]c3ccc2n1)B(O)O
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCC1CCN(C)CC1)-c1cn[nH]c1 |r|
CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
O=C(CCCC1CCSS1)N1CCCN(CC1)S(=O)(=O)c1cccc2cnccc12
CC(C)NC(=O)COc1cccc(c1)-c1ncc2c(Nc3ccc4[nH]ncc4c3)cccc2n1
COc1ccc2c(c1)[nH]c1c(C)nccc21
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]c4CCCCc4c23)c1
CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(c(F)c2)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
O=C(Nc1cc(ccn1)C(=O)Nc1cnccc1-c1ccccc1)C1CC1
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
[H][C@@]1(CC[C@@H](CC1)C(=O)Nc1ccnc2[nH]ccc12)[C@@H](C)N |r,wU:4.7,1.0,wD:19.23,(-1.43,8.98,;-2.33,8.49,;-3.67,7.73,;-3.68,6.19,;-2.35,5.41,;-1.01,6.17,;-1,7.71,;-2.35,3.87,;-3.42,3.26,;-1.02,3.09,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;.3,.77,;-3.66,9.23,;-3.65,10.46,;-4.73,8.62,)|
CN1CCC2N=C(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4nnnc4C)c3)SC2C1 |t:5|
N[C@H]1CC[C@@H](CC1)Nc1cc(F)c(cc1F)C(N)=O |r,wU:4.7,wD:1.0,(6,-.77,;4.67,0,;4.67,1.54,;3.33,2.31,;2,1.54,;2,0,;3.33,-.77,;.66,2.31,;-.67,1.54,;-2,2.31,;-3.33,1.54,;-4.67,2.31,;-3.33,-0,;-1.99,-.77,;-.67,0,;.66,-.77,;-4.67,-.77,;-6,-0,;-4.67,-2.31,)|
CNCCC(Oc1cccc(Cl)c1)c1ccc(cc1)-c1cn[nH]c1
Clc1ccc(cc1)C(N1CCNCC1)c1ccc(cc1)-c1cn[nH]c1
CNC[C@H](c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 |r|
CNC[C@@H](c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1 |r|
Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
Clc1ccccc1CC(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(n1)-c1ccncc1
Nc1nccc(Nc2cc(F)c(Oc3ccnc4[nH]cc(C#N)c34)c(F)c2)n1
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccsc1
Clc1cccc(Cl)c1CNC(=O)Nc1ccc2[nH]ncc2c1
C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccncc1 |r|
NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(cc1)-c1cn[nH]c1
COc1nc(Nc2ccc3[nH]ncc3c2)nc(n1)N1CCNCC1
COc1cccc(CNC(=O)c2cc3cc(ccc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2c[nH]c3ccc(cc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN(C)C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2n[nH]c3ccc(cc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(C2CC2)C(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2nn(C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2n[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2nc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)OCc1ccccc1
COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
NCc1ccc(Oc2ccc3COB(O)c3c2)c(Cl)c1
Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F
B1(c2cc(ccc2CO1)Oc3ccc(cc3F)CN)O
CC(C)c1c2B(O)OCc2ccc1Oc1ccc(CN)cc1Cl
O=C(OCC1CCCO1)c1cccc(CN2CCCC(C2)Nc2ccc3[nH]ncc3c2)c1
Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12
Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)-c1n[nH]c(=O)c2CCCCc12
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1CC(CN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1C(CCN1c1ccccc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C1OC(CN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1N(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)c1ccccc1
O=C1N(CCN1c1cccnc1)c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C1N(Cc2ccccc2)CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=c1n(Cc2ccccc2)cnn1-c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)Nc1ccccc1
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NCc1ccccc1
O=C1C(CCN1c1ccc(cc1)-c1n[nH]c(=O)c2ccccc12)NC1CCCC1
COc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
CC(C)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
CS(=O)(=O)c1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
FC(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
FC(F)(F)Oc1cccc(NC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
Cc1nc2ccc(NC3CCN(C3=O)c3ccc(cc3)-c3n[nH]c(=O)c4ccccc34)cc2s1
FC(F)(F)Oc1cccc(OC2CCN(C2=O)c2ccc(cc2)-c2n[nH]c(=O)c3ccccc23)c1
O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1
C[C@@H](N)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1
OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
OC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
N[C@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1
O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1Cl
O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1
NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0|
O[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1
O[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1Cl
NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0|
CC(C)[C@@H](O)C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1
O[C@@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
N[C@@H](C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccccc1
C[C@H](O)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1
NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
OC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Cl)cc1 |w:1.0|
NC(C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1 |w:1.0|
O=C([C@@H]1Cc2ccccc2CN1)N1CCN(CC1)c1ccc2[nH]ncc2c1
N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1
NC(C(=O)N1CCN(CC1)c1ccc2[nH]ncc2c1)c1ccc(Br)cc1 |w:1.0|
N[C@H](C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1)c1ccccc1
C[C@H](N)C(=O)N1CCC(CC1)Nc1ccc2[nH]ncc2c1
Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1ccc2-c3ccnn3CCOc2c1
Fc1cc(cc(F)c1F)[C@@H]1CCNC[C@H]1NC(=O)c1ccc2-c3ccnn3CCOc2c1
Fc1cccc(c1)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3nccc-23)s1
Fc1cccc(c1)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3ncc(Cl)c-23)s1
Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3ncc(Cl)c-23)s1
Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3ncc(Br)c-23)s1
Fc1cc(F)cc(c1)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(CCCn3ncc(Br)c-23)s1
Fc1cccc(c1)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Cl)c-23)s1
Fc1cccc(c1)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Br)c-23)s1
Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Cl)c-23)s1
Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Br)c-23)s1
Fc1cc(F)cc(c1)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Br)c-23)s1
Fc1ccc(cc1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(NC(=O)Cn3ncc(Cl)c-23)s1
Fc1ccc(cc1F)[C@H]1CCNC[C@@H]1NC(=O)c1cc-2c(OCCn3ncc(Br)c-23)s1
Fc1cc(cc(F)c1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Cl)c-23)s1
Fc1cc(cc(F)c1F)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Br)c-23)s1
FC(F)(F)c1ccc(cc1Cl)[C@@H]1CCNC[C@H]1NC(=O)c1cc-2c(OCCn3ncc(Br)c-23)s1
CCc1cnn2CCOc3sc(cc3-c12)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1
Cn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1 |r|
COc1cccc(CN2C(=O)N(CC22CC2)c2ccc(-c3cn[nH]c3)c(OC)c2)c1
Cc1c(cnn1-c1ccccc1)C(=O)N[C@H]1C[C@]2(C1)C[C@@H](C2)c1n[nH]c(=O)c2ccccc12 |r,wU:17.24,wD:20.25,15.16,(1.59,7,;1.19,5.52,;-.21,4.89,;-.05,3.36,;1.45,3.04,;2.22,4.37,;3.76,4.37,;4.53,5.71,;6.07,5.71,;6.84,4.37,;6.07,3.04,;4.53,3.03,;-1.55,5.66,;-1.55,7.2,;-2.88,4.89,;-2.88,3.35,;-3.97,2.26,;-2.86,1.15,;-1.77,2.24,;-1.76,.05,;-2.85,-1.04,;-3.95,.07,;-2.85,-2.58,;-1.51,-3.35,;-1.51,-4.88,;-2.84,-5.66,;-2.84,-7.2,;-4.18,-4.89,;-5.5,-5.66,;-6.84,-4.9,;-6.84,-3.35,;-5.5,-2.58,;-4.18,-3.35,)|
NC(=O)c1ccccc1O[C@H]1C[C@]2(C1)C[C@@H](C2)N1C(=O)NC(C1=O)c1ccccc1Cl |r,wU:12.13,wD:10.10,15.19,(-.06,-9.23,;-.06,-7.69,;-1.39,-6.92,;1.28,-6.92,;2.61,-7.69,;3.94,-6.92,;3.94,-5.38,;2.61,-4.61,;1.28,-5.38,;-.06,-4.61,;-.06,-3.07,;1.03,-1.98,;-.07,-.87,;-1.16,-1.96,;-1.18,.24,;-.09,1.32,;1.01,.22,;-.09,2.86,;1.15,3.77,;2.64,3.37,;.68,5.23,;-.86,5.23,;-1.34,3.77,;-2.83,3.37,;-1.63,6.57,;-3.17,6.57,;-3.94,7.9,;-3.17,9.23,;-1.64,9.23,;-.86,7.91,;.68,7.91,)|
NC[C@@H](C(=O)Nc1ccc2cnsc2c1)c1ccc(CO)cc1 |r|
COc1cc(sc1C(=O)NCC(O)CO)-c1cc(C)cc(C)n1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(cc1)B(O)O
C1Cc2ccc(Oc3cccc4[nH]cc(-c5ccncc5)c34)cc2CN1
COc1cc(\C=C(\C(N)=O)n2c3ccccc3c3c4C(=O)NCc4c4c5ccccc5[nH]c4c23)ccc1O
CC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
OC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
COC1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
CN1Cc2c(C1=O)c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Cn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4[nH]c3c12
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
[H][C@]12C[C@@H](NC)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H](N)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H](NC(C)=O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
C[C@@H]1O[C@H](C[C@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
[H][C@@]1(C[C@@H](NC(C)=O)[C@@H](O)[C@H](C)O1)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H](C[C@@H](NC(C)=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 |r|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(C)=O |r|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(C)=O |r|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C=O |r|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(N)=O |r|
[H][C@]12C[C@@H](NC=O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N1CC[C@@H](O)C1=O |r|
[H][C@]12C[C@@H](NC(=O)C(=O)c3c[nH]c4ccccc34)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@@H](NC(=O)c4c4c5ccccc5n2c4c13)OC |r|
[H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@H](NC(=O)c4c4c5ccccc5n2c4c13)OC |r|
[H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@@]12O[C@@](C)([C@H](OC)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@H](O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H](O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C\C(=N/O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12CC(=O)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12CC(=O)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H](O)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H](N)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@@H](N)[C@@H](O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
C[C@@H]1O[C@H](C[C@@H](N)[C@H]1OC(O)C1CO1)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H](C[C@@H](NC=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H](C[C@@H](NC=O)[C@H]1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 |r|
[H][C@]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)n1c2ccccc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)n1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 |r|
CO[C@H]1NC(=O)c2c1c1c3ccccc3[nH]c1c1n([C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c3ccccc3c21 |r|
C[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)n1c2ccccc2c2c3C(=O)N[C@@H](O)c3c3c4ccccc4[nH]c3c12 |r|
C[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
CO[C@@H]1[C@H](O)[C@H](O)[C@H](C)O[C@H]1n1c2ccc(O)cc2c2c3C(=O)NCc3c3c4ccccc4[nH]c3c12 |r|
[H][C@]12C[C@](O)([C@@H](O)[C@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@](O)([C@H](O)[C@@H](C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@](OC)(C(OC)=C(C)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,t:8|
[H][C@]12C[C@](OC)([C@H](OC)C(C)(O)O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
[H][C@]12C[C@](NC)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@](OC)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@H](C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@](O)(C(O)=O)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12C[C@](O)(C(O)=O)[C@](C)(O1)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
[H][C@]12CC3(Nc4c(OC3=O)cccc4C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
CNC(=O)C[C@H]1O[C@@](C)(C(=O)OC)n2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n1c4c23 |r|
COc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NCc4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4C(=O)NC(=O)c4c3c2c1
Oc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4C(=O)NCc4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4C(=O)NCc4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4C(=O)NC(=O)c4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4CNC(=O)c4c3c2c1
COc1ccc2[nH]c3c4[nH]c5ccc(O)cc5c4c4C(=O)NCc4c3c2c1
Cc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
Cc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NCc4c3c2c1
Cc1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
CC(C)(C)c1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
CC(C)(C)c1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NCc4c3c2c1
CC(C)(C)c1ccc2[nH]c3c4[nH]c5ccccc5c4c4CNC(=O)c4c3c2c1
COc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Oc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Oc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NCc3c21
Oc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3CNC(=O)c3c21
COc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Oc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Oc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NCc3c21
Oc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3CNC(=O)c3c21
COc1ccc2n(C)c3c(c4C(=O)N(C)C(=O)c4c4c5ccccc5n(C)c34)c2c1
CC(=O)NCCc1cc(O)c(O)cc1[C@@H](NC(C)=O)C(=O)c1ccc(O)c(O)c1 |r|
[H][C@]1(O[C@H]2CC[C@@H](O[C@@H]2C)n2ccc(NC(=O)CCC(C)C)nc2=O)O[C@H](C)[C@H]([C@H](O)[C@H]1O)N(C)C |r|
Nc1ccn(-c2ccc(CNC3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc2)c(=O)n1
Nc1ccn(-c2ccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)cc2)c(=O)n1
Nc1ccn(-c2ccc(CN3CCCCC(C3)Nc3ccc4[nH]ncc4c3)cc2)c(=O)n1
Nc1ccn(-c2cccc(CN3CCCC(C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)n1
Nc1ccn(-c2cccc(CNC3CCCC(C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)n1
Nc1nc(=O)n(cc1F)-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Nc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cc(=O)n(cc1N)-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
O=c1ccccn1-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Cc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1)C#N |r|
NC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c1=O |r|
Cc1ccc(=O)n(c1)-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Fc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
CCc1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1C |r|
FC(F)(F)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cc(=O)n(cc1F)-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@H](C2)Nc2ccc3[nH]ncc3c2)c1)-c1ccccc1 |r|
CC(C)(C)c1ccn(-c2cccc(CN[C@H]3CCC[C@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Nc1nc(=O)n(cc1F)-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Nc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cc(=O)n(cc1N)-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
O=c1ccccn1-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Cc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1)C#N |r|
NC(=O)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c1=O |r|
Cc1ccc(=O)n(c1)-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
Fc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
CCc1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1C |r|
FC(F)(F)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
Cc1cc(=O)n(cc1F)-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1 |r|
O=c1cc(ccn1-c1cccc(CN[C@H]2CCC[C@@H](C2)Nc2ccc3[nH]ncc3c2)c1)-c1ccccc1 |r|
CC(C)(C)c1ccn(-c2cccc(CN[C@H]3CCC[C@@H](C3)Nc3ccc4[nH]ncc4c3)c2)c(=O)c1 |r|
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(OCCN(C)C)cc2C1)-c1cn[nH]c1
Cc1cc(CN2C(=O)[C@H](C)N(C)c3nc(Nc4cc(F)c(O)c(F)c4)ncc32)on1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCO[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCCO[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCCCCO[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)O[C@@H]2CO[C@@H]3[C@H]2OC[C@@H]3O[N+](=O)[O-])cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccc(CO[N+](=O)[O-])cc2)cc1
NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1
NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccc(CO[N+](=O)[O-])c2)cc1
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
COc1cc2c(cc1NC(=O)/C=C/CN3CCCCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1 |r,wU:1.1,3.2,wD:6.9,(33.48,-24.28,;32.15,-25.06,;32.16,-26.6,;30.81,-24.3,;29.48,-25.08,;28.15,-24.32,;28.13,-22.78,;29.46,-22.01,;30.8,-22.77,;26.79,-22.02,;26.78,-20.49,;25.47,-22.81,;24.13,-22.05,;24.12,-20.5,;22.78,-19.74,;21.45,-20.53,;21.46,-22.07,;22.8,-22.83,)|
CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F |t:1|
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)Nc1cccc2cnccc12
O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
Cc1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1
Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1
Nc1nc(Nc2ccc(Sc3ccncc3)c(F)c2)cc(-c2ccncc2)n1
Nc1nc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)cc(-c2ccncc2)n1
Nc1nc(Nc2ccc(Oc3cccc4[nH]ccc34)c(F)c2)cc(-c2ccncc2)n1
Nc1nc(Nc2ccc(Oc3cccc4[nH]ncc34)c(F)c2)cc(-c2ccncc2)n1
Cc1n[nH]c2cccc(Oc3ccc(Nc4cc(-c5ccncc5)nc(N)n4)cc3F)c12
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ncc34)c(F)c2)cc(-c2ccncc2)n1
Nc1nccc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1
Nc1nc(Cl)cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1
Cc1cc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)nc(N)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C(F)(F)F)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(N2CCCC2)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(N2CCNCC2)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C2CCNCC2)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(C2CCCNC2)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2cccnc2)n1
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccccn2)n1
Cc1c[nH]c2nccc(Oc3ccc(Nc4cc(-c5ccncc5)nc(N)n4)cc3F)c12
CCc1c[nH]c2nccc(Oc3ccc(Nc4cc(-c5ccncc5)nc(N)n4)cc3F)c12
Cc1c[nH]c2nccc(Oc3ccc(Nc4ccnc(N)n4)cc3F)c12
Cc1c[nH]c2nccc(Oc3ccc(Nc4cc(Cl)nc(N)n4)cc3F)c12
Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4ccnc(N)n4)cc3F)c12
Nc1nc(Nc2cc(F)c(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)cc(C(F)(F)F)n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc(NC(=O)C2COc3ccccc3C2)c(F)cc1-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
CN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2C1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1
COc1cc(ccc1NC(=O)C1COc2ccc(Cl)cc2C1)-c1cn[nH]c1
Fc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Clc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Cc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
OC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)C1COc2ccccc2C1
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(OC)c1
Fc1cc(NC(=O)C2COc3ccccc3C2)cc(F)c1-c1cn[nH]c1
CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Fc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
COC(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1cc(ccc1NC(=O)C1COc2ccccc2C1)-c1cn[nH]c1
CN(C)CCN(C)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1
COc1cc(ccc1NC(=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1
COc1cc(NC(=O)C2COc3ccc(C)cc3C2)ccc1-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1OC)-c1cn[nH]c1
COc1cc(NC(=O)C2COc3ccc(Cl)cc3C2)ccc1-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
COc1cc(ccc1NC(=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
COc1cc(NC(=O)C2COc3ccc(F)cc3C2)ccc1-c1cn[nH]c1
CN1CCN(CC1)C(=O)c1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc2CC(COc12)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
CN(C)CCOc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1
COc1cc(NC(=O)C2COc3ccccc3C2)ccc1-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2cc(cc(F)c2[nH]1)-c1ccnc(N)n1
Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NCc1ccccc1
COC(=O)c1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1
Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(cc2C1)C(=O)NC1CC1
COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1
COC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1
Cc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1
Nc1nccc(n1)-c1ccc2nc(oc2c1)C1COc2ccc(F)cc2C1
C1Oc2ccccc2CC1c1nc2ccc(cc2o1)-c1cn[nH]c1
Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccc(F)cc2C1
CC(C)Oc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1
Cc1[nH]ncc1-c1ccc2[nH]c(nc2c1)C1COc2ccccc2C1
CC(C)Oc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1
C1Oc2ccccc2CC1c1nc2cc(ccc2[nH]1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2o1)-c1ccnc(N)n1
Cc1[nH]ncc1-c1ccc2nc(oc2c1)C1COc2ccccc2C1
Nc1nccc(n1)-c1ccc2nc(oc2c1)C1COc2ccccc2C1
Nc1nccc(n1)-c1ccc2[nH]c(nc2c1)C1COc2ccccc2C1
C1Oc2ccccc2CC1c1nc2ccc(cc2[nH]1)-c1ccncc1
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CN1CCCN(CC1)c1nc(cnc1NCCO)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1
COCCNc1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc(C)c1
CN(C)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
CCN(CC)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
Nc1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccc2cn[nH]c2c1
CNc1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CN(C)c1ncc(nc1N1CCN(CCO)CC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccncc1
NC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccnc2[nH]ccc12
C1CCN(C1)c1ncc(nc1N1CCNCC1)-c1ccnc2[nH]ccc12
C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccnc2[nH]ccc12
CN1CCCN(CC1)c1nc(cnc1N)-c1cccc2[nH]ncc12
CN1CCCN(CC1)c1nc(cnc1N)-c1ccc2[nH]ncc2c1
CN1CCCN(CC1)c1nc(cnc1N)-c1cc[nH]n1
CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc2[nH]ccc12
CN1CCCN(CC1)c1nc(cnc1N)-c1ccncc1C
CN1CCCN(CC1)c1nc(cnc1N)-c1ccnc(N)c1
CNCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
NCC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CNC1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N1CCOCC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N1CCCCC1)-c1ccncc1
CN1CCCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
COCCN(C)c1ncc(nc1N1CCCN(C)CC1)-c1ccncc1
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#7]-c1ccc(cc1)-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(cc1)-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cccc(c1)-c1ccncc1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1cccc(c1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
NCCCC[C@@H](NC(=O)CCCCCNC(=O)c1cn(nn1)-c1ncnc2nc[nH]c12)C(=O)NCCCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O |r,wU:53.55,wD:42.44,5.5,(3.53,-34.36,;3.53,-35.9,;2.2,-36.67,;2.2,-38.21,;3.53,-38.98,;3.53,-40.52,;2.2,-41.29,;.87,-40.52,;.87,-38.98,;-.47,-41.29,;-.47,-42.83,;.87,-43.6,;.87,-45.14,;2.2,-45.91,;2.2,-47.45,;3.53,-48.22,;3.53,-49.76,;4.87,-47.45,;5.39,-45.99,;6.93,-46.04,;7.36,-47.52,;6.08,-48.38,;8.24,-45.25,;8.21,-43.71,;9.53,-42.92,;10.88,-43.67,;10.91,-45.21,;12.07,-46.22,;11.47,-47.63,;9.94,-47.5,;9.59,-46,;4.87,-41.29,;4.87,-42.83,;6.2,-40.52,;7.53,-41.29,;8.87,-40.52,;10.2,-41.29,;11.53,-40.52,;12.87,-41.29,;14.2,-40.52,;14.2,-38.98,;15.54,-41.29,;16.87,-40.52,;16.87,-38.98,;18.2,-38.21,;18.2,-36.67,;16.87,-35.9,;16.87,-34.36,;15.54,-33.59,;18.2,-33.59,;18.2,-41.29,;18.2,-42.83,;19.54,-40.52,;20.87,-41.29,;20.87,-42.83,;22.2,-43.6,;22.2,-45.14,;23.54,-45.91,;23.54,-47.45,;24.87,-48.22,;22.2,-48.22,;22.2,-40.52,;23.54,-41.29,;22.2,-38.98,)|
CN(C)CCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
C(CC1CCOC1)Oc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
O=C(NCc1ccccc1)c1nc2ccc(cc2s1)-c1cn[nH]c1
CN(C)CCOc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
CN(C)CCN(C)c1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Cc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
Nc1nccc(n1)-c1ccc2nc(sc2c1)C1COc2ccccc2C1
COc1cccc(CN(CCN(C)C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Fc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
COC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
COc1cccc(CNC(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
Fc1cccc(CNC(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
COCCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Clc1ccc2OCC(Cc2c1)c1nc2ccc(cc2s1)-c1cn[nH]c1
COc1cccc(CN(C)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(cc2s1)-c1cn[nH]c1
Fc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
COc1cccc(CN(C2CC2)C(=O)c2nc3ccc(cc3s2)-c2cn[nH]c2)c1
COc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
Fc1cc2nc(sc2cc1-c1cn[nH]c1)C1COc2ccccc2C1
C1Oc2ccccc2CC1c1nc2ccc(cc2s1)-c1cn[nH]c1
Cc1[nH]ncc1-c1ccc2nc(sc2c1)C1COc2ccccc2C1
C(CN1CCOCC1)Oc1cc(cc2sc(nc12)C1COc2ccccc2C1)-c1cn[nH]c1
C1Oc2ccccc2CC1c1nc2ccc(cc2s1)-c1ccncc1
Cc1cc(ccn1)-c1ccc2nc(sc2c1)C1COc2ccccc2C1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CNCc1ccccc1
O=C(Cc1ccccc1)Nc1cccc2nc[nH]c(=O)c12
N[C@@H](Cc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
O=C(Cc1ccccc1)Nc1cccc2c1cc[nH]c2=O
O=C(Cc1ccccc1)Nc1ccc2cc[nH]c(=O)c2c1
O=C(Cc1ccccc1)Nc1ccc2C(=O)NNCc2c1
O=C(Cc1ccccc1)Nc1cccc2c1nc[nH]c2=O
O=C(Cc1ccccc1)Nc1ccc2nc[nH]c(=O)c2c1
O=C(Cc1ccccc1)Nc1ccc2c(c1)nc[nH]c2=O
O=C(Cc1ccccc1)Nc1ccc2c(cc[nH]c2=O)c1
O=C(Cc1ccccc1)Nc1cccc2cc[nH]c(=O)c12
O=C(Cc1ccccc1)Nc1ccc2C(=O)NC(=O)c2c1
O=C(Nc1ccc2c(cc[nH]c2=O)c1)OCc1ccccc1
O=C(Cc1ccccc1)Nc1ccc2nn[nH]c2c1
O=C(NCc1ccccc1)Nc1ccc2c(cc[nH]c2=O)c1
O=c1[nH]ccc2cc(NS(=O)(=O)Cc3ccccc3)ccc12
CC(NCc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
N[C@H](Cc1ccccc1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CCc1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)CC1CCCCC1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)Cc1ccccc1
CC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NC1CC1)c1ccccc1
CN(C)C(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C(NCc1ccccc1)c1ccccc1
CNC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1
CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(F)ccc2CN1)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(ccc1NC(=O)C1NCCc2ccccc12)-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2ccccc2CN1)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2ccccc2CN1)-c1cn[nH]c1 |r|
N[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
NC(C(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccc(Cl)cc1
NC(Cc1ccc(Cl)cc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1ccc2CN[C@@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CCOc1ccc2CNC(Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCC(=O)N(C)C)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(-c2cn[nH]c2)c(F)c1OCCN(C)C |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1 |r|
COCCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(OC)ccc2CN1)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCO)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1SCCN(C)C)-c1cn[nH]c1C |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1c(F)cc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OC1CCN(C)CC1)-c1cn[nH]c1 |r|
CCN1Cc2ccc(OC)cc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(F)ccc2CN1)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1CC1CC1 |r|
CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CCN1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(F)c(cc1OCCN(C)C)-c1cn[nH]c1 |r|
CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C |r|
CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)C |r|
COc1ccc2C[C@@H](NCc2c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
COc1cccc2CC(NCc12)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
CN1CCC(CC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@H]1CCCN1 |r|
NCC(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
CC(C)C[C@@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CCNCC1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@@H]1CCNC1 |r|
CC(C)(C)C[C@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
CC(C)(C)C[C@@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
CN(C)[C@H]1CC[C@H](CC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r,wU:6.9,3.2,(2.51,-7.55,;1.18,-6.78,;1.18,-5.24,;-.16,-7.55,;-.16,-9.09,;-1.49,-9.86,;-2.82,-9.09,;-2.83,-7.55,;-1.49,-6.78,;-4.15,-9.86,;-5.49,-9.09,;-4.15,-11.4,;-5.48,-12.17,;-6.81,-11.41,;-8.13,-12.18,;-9.46,-11.4,;-10.79,-12.18,;-10.79,-13.72,;-9.46,-14.48,;-9.46,-16.02,;-8.13,-13.72,;-6.81,-14.48,;-5.47,-13.72,;-4.14,-14.49,)|
N[C@H]1CC[C@H](C1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
N[C@@H]1CC[C@@H](C1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
CC(C)C[C@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
CC(C)[C@@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
CC(C)[C@H](N)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
CC(C)N[C@@H](C1CCCCC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
c1c2c(cc(c1NC(=O)C3CCC(CC3)N)Cl)C(=O)NC=C2
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@@H]1CCCN1 |r|
N[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r,wU:1.0,wD:4.7,(37.41,-43.32,;36.08,-44.09,;36.08,-45.63,;34.75,-46.4,;33.42,-45.63,;33.4,-44.09,;34.74,-43.32,;32.08,-46.4,;30.75,-45.63,;32.09,-47.94,;30.76,-48.71,;29.43,-47.95,;28.11,-48.72,;26.78,-47.94,;25.45,-48.72,;25.45,-50.26,;26.78,-51.02,;26.78,-52.56,;28.1,-50.26,;29.43,-51.02,;30.76,-50.26,;32.1,-51.03,)|
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@H]1CCNC1 |r|
N[C@@H](C1CCCCC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
N[C@H](C1CCCCC1)C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
C[C@@H](N1C[C@H](C)O[C@H](C)C1)c1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1 |r|
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
Fc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Fc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Fc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1
Clc1ccc(Cl)c(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Clc1cc(Cl)cc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Cc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1Cl
CCCc1cc(on1)-c1ccc2[nH]ncc2c1
C(c1cc(on1)-c1ccc2[nH]ncc2c1)c1ccccc1
Nc1n[nH]c2ccc(cc12)-c1cc(Cc2ccccc2)no1
CNC(=O)c1cc(on1)-c1ccc2[nH]ncc2c1
C(N1CCCCC1)c1cc(on1)-c1ccc2[nH]ncc2c1
OCCCc1cn(nn1)-c1ccc2[nH]ncc2c1
C1CC1c1cn(nn1)-c1ccc2[nH]ncc2c1
CCCc1cn(nn1)-c1ccc2[nH]ncc2c1
COCc1cn(nn1)-c1ccc2[nH]ncc2c1
C1CCC(C1)c1cn(nn1)-c1ccc2[nH]ncc2c1
C(C1CCCCC1)c1cn(nn1)-c1ccc2[nH]ncc2c1
C(c1cn(nn1)-c1ccc2[nH]ncc2c1)c1ccccc1
c1[nH]nnc1-c1ccc2n[nH]cc2c1
C(c1ccccc1)n1cc(nn1)-c1ccc2[nH]ncc2c1
C(Cc1ccccc1)c1cn(nn1)-c1ccc2[nH]ncc2c1
C(Cc1cn(nn1)-c1ccc2[nH]ncc2c1)Cc1ccccc1
Clc1cccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)c1
Clc1ccc(Cn2cc(nn2)-c2ccc3[nH]ncc3c2)cc1
Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
Clc1ccccc1Cn1cc(nn1)-c1ccc2[nH]ncc2c1
c1n[nH]c2ccc(cc12)-c1nc2ncccn2c1-c1ccccc1
Cc1nc(cs1)-c1ccc2[nH]ncc2c1
c1n[nH]c2ccc(cc12)-c1cn2cccnc2n1
Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
Fc1ccc(cc1)-c1ncn(C2CCN(Cc3ccccc3)C2)c1-c1ccc2[nH]ncc2c1
Fc1ccc(cc1)-c1ncn(CCN2CCOCC2)c1-c1ccc2[nH]ncc2c1
C1CCC(CC1)Nc1c(nc2sccn12)-c1ccc2[nH]ncc2c1
CN(C)CCn1cnc(c1-c1ccc2[nH]ncc2c1)-c1ccc(F)cc1
CCCCNc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
Clc1ccc(Nc2c(nc3ncccn23)-c2ccc3[nH]ncc3c2)cc1
C1CCC(CC1)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
CC(C)Nc1c(nc2ncccn12)-c1ccc2[nH]ncc2c1
C1CCC(CC1)Nc1c(nc2ccccn12)-c1ccc2[nH]ncc2c1
C(Nc1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1
C(Cc1ccccc1)Nc1nc(cs1)-c1ccc2[nH]ncc2c1
N(c1nc(c(s1)-c1ccccc1)-c1ccc2[nH]ncc2c1)c1ccccc1
N(c1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
C(Nc1nc(cs1)-c1ccc2[nH]ncc2c1)c1ccccc1
Nc1nc(cs1)-c1ccc2[nH]ncc2c1
CCNc1nc(cs1)-c1ccc2[nH]ncc2c1
Fc1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(C)cc2C1)-c1cn[nH]c1
COc1cc(cc2c1nc([nH]c2=O)C1COc2ccc(F)cc2C1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2c(OCCN(C)C)cc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1cccc(OCc2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1
COc1ccccc1OCc1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
O=C(NCCN1CCOCC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
O=C(NCCc1ccccn1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
O=C(NC1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1cccc(OCc2nc3c(OC)cc(cc3c(=O)[nH]2)-c2cn[nH]c2)c1
CN(C)CCNC(=O)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1cc(cc2c1nc([nH]c2=O)C1COc2ccccc2O1)-c1cn[nH]c1
O=C(C1CC1)c1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc2CCC(Cc2c1)c1nc2c(OC)cc(cc2c(=O)[nH]1)-c1cn[nH]c1
Cc1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc2OC[C@@H](Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1ccc2OCC(Cc2c1)c1nc(N(C)CCO)c2cc(ccc2n1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc(SCCN(C)C)c2cc(ccc2n1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2c(cc(cc2c(=O)[nH]1)-c1cn[nH]c1)N(C)CCN(C)C
[H][C@]1(COc2ccc(OC)cc2C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1ccc2OCC(Cc2c1)c1nc2c(F)cc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc2OCC(Cc2c1)c1nc2c(OC)cc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1cccc2CC(COc12)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
CN(C)CCSc1nc(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccc(cc2C1)C(=O)NCCN1CCOCC1
COc1cccc2OCC(Cc12)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COCCNC(=O)c1ccc2OCC(Cc2c1)c1nc(SCCN(C)C)c2cc(ccc2n1)-c1cn[nH]c1
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccccc2C1
CN(C)CCSc1nc(nc2ccc(cc12)-c1cn[nH]c1)C1COc2ccc(cc2C1)C(=O)NC1CC1
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1CCc2ccccc2O1
COc1ccc2OCC(Cc2c1)c1nc(NCc2ccccn2)c2cc(ccc2n1)-c1cn[nH]c1
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1=Cc2ccccc2OC1 |t:19|
COc1ccc2OCC(Cc2c1)c1nc(N(C)CCN(C)C)c2cc(ccc2n1)-c1cn[nH]c1
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)C1CC1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
CSc1cn2c(cnc2c(Nc2cc(C)ns2)n1)-c1cn[nH]c1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[O-][n+]1ccc2c(ccnc2c1-c1c(Cl)cccc1Cl)-c1ccc(F)cc1Cl |(12.75,-22.82,;14.08,-22.05,;14.08,-20.51,;15.41,-19.74,;16.75,-20.5,;18.08,-19.73,;19.42,-20.51,;19.42,-22.05,;18.08,-22.82,;16.74,-22.05,;15.42,-22.83,;15.42,-24.36,;14.08,-25.13,;12.75,-24.36,;14.09,-26.67,;15.42,-27.44,;16.76,-26.66,;16.75,-25.12,;18.08,-24.34,;18.08,-18.2,;19.42,-17.43,;19.42,-15.89,;18.08,-15.12,;18.08,-13.58,;16.75,-15.89,;16.75,-17.43,;15.42,-18.2,)|
COc1cccc(CNC(=O)c2c[nH]c3nc(ccc23)-c2ccncc2)c1
O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
COc1cccc(CCNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(c1)[C@@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)n2)c1
COc1cccc(c1)[C@H](C)NC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1 |r|
FC(F)(F)Oc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccncc2)c1
COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
COc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2ccncc2)c1
COc1ccc(OC)c(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1ccccc1CNC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2ccncc2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2C)c1
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3cnc(cc3[nH]2)-c2cn[nH]c2C)c1
COc1cccc(c1)[C@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2ccnc(N)c2)c1
COc1cccc(CNC(=O)c2nc3cc(ccc3s2)-c2cc[nH]n2)c1
COc1ccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)cc1
COc1cccc(c1)[C@@H](C)NC(=O)c1cc2ccc(nc2[nH]1)-c1cn[nH]c1 |r|
COc1cccc(CNC(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
O=C(NCCc1cccs1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCCO)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(cc3n2CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN(C)C)C(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2CC2CC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2Cc2cccc(OC)c2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cc3ccc(nc3n2CCCO)-c2cn[nH]c2)c1
COc1cccc(CN(CC[N+]2(C)CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3n2C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(C2CC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)c2cc3ccc(nc3[nH]2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(-c3ccccc3)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(CCCO)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)c2cn(CCN(C)C)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)c2cn(CCN3CCCC3)c3cc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CN(C2CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
CCN(Cc1cccc(OC)c1)C(=O)c1c[nH]c2nc(ccc12)-c1cn[nH]c1
COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(ccc23)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3cc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCN(C)CC2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)c2[nH]c3nc(ccc3c2CN2CCOCC2)-c2cn[nH]c2)c1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Cn1c2c(C(C#N)C3(CCNCC3)NC2=O)c2ccc(Cl)c(Cl)c12
CCn1c(nc2cncc(-c3ccc(CN)cc3)c12)-c1nonc1N
CCn1c(nc2cnccc12)-c1nonc1N
CCn1c(nc2cncc(C(=O)N3CC[C@H](N)C3)c12)-c1nonc1N
c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3)-c3ccccc3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |wU:26.30,28.33,(7.04,-25.52,;7.05,-27.06,;5.72,-27.83,;5.72,-29.37,;7.05,-30.15,;8.39,-29.37,;9.86,-29.85,;10.77,-28.6,;9.86,-27.34,;10.64,-26.02,;9.88,-24.69,;10.64,-23.36,;12.19,-23.36,;12.96,-22.02,;14.5,-22.04,;15.28,-23.37,;14.5,-24.71,;12.96,-24.7,;12.18,-26.03,;16.82,-23.38,;17.59,-24.72,;19.13,-24.72,;19.9,-23.38,;19.12,-22.05,;17.59,-22.05,;8.39,-27.82,;10.34,-31.32,;9.65,-32.69,;11.02,-33.38,;11.5,-34.85,;10.47,-35.99,;8.93,-36.07,;9.01,-37.61,;10.55,-37.53,;11.72,-32.01,)|
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1
COc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1Cl)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1cccc(c1)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
COc1ccc(cc1C(F)(F)F)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1
COc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CN(C)C)cc1
NCc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C#N)c2)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(O)c(O)c3)c2)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)c2)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CNCCc2c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1
O=C(NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1)Nc1ccc(cc1)C#N
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(OC(F)(F)F)c(Cl)c3)c2)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)c3ccc(cc3)C#N)c2)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(cc3)C(N)=O)c2)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3cccc(c3)C(N)=O)c2)cc1
CCCNC(=O)c1cccc(CNC(=O)c2ccc(OC)c(OC)c2)c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCC1CCCO1
O=C(NCc1cccc(c1)C(=O)NCCc1ccncc1)Nc1cccc(c1)C#N
O=C(NCc1cccc(c1)C(=O)NCC1CCCO1)Nc1cccc(c1)C#N
COc1ccc(NC(=O)Nc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
COc1ccc(cc1OC)S(=O)(=O)NCc1cccc(c1)C(=O)NCCC1CCCNC1
COc1ccc(cc1OC)C(=O)Nc1cccc(c1)C(=O)NCCC1CCCNC1
COc1ccc(CNC(=O)c2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
Cc1ccc(cc1C)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1
O=C(NCCc1ccncc1)c1cccc(CNC(=O)c2ccc3OCOc3c2)c1
COc1cccc(c1)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1
COc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1
COc1ccc(CC(=O)Nc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
COc1ccc(NC(=O)NCc2cccc(c2)C(=O)NCCC2CCCNC2)cc1OC
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2cnccc2c1
O=C(CCC1CCCNC1)Nc1cccc(CNC(=O)Nc2ccc(cc2)C#N)c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCCN(C)C1
O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1cccc(c1)C#N
O=C(NCc1cccc(c1)C(=O)NCCC1CCNCC1)Nc1ccc(cc1)C#N
COc1ccc(NC(=O)Cc2cccc(NC(=O)CCC3CCCNC3)c2)cc1OC
O=C(NCc1cccc(c1)C(=O)NCCC1CCCNC1)Nc1ccc(cc1)C#N
NC(=O)c1ccc(NC(=O)NCc2cccc(c2)C(=O)Nc2ccc3CCNCc3c2)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCc1ccncc1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc(CO)cc1
COc1ccc(cc1OC)C(=O)NCc1cccc(NC(=O)CCC2CCCNC2)c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)NCCC1CCNCC1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCN(C)Cc2c1
COc1ccc(cc1OC)C(=O)NCc1cccc(c1)C(=O)Nc1ccc2CCNCc2c1
Fc1ccc(cc1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccc(Br)cc1
Clc1ccc(cc1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Clc1ccc(cc1)[C@H]1CNC[C@@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
Clc1ccc(cc1)[C@@H]1CNC[C@H]1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl |r|
FC(F)(F)c1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Clc1ccc(C2CNCC2C(=O)Nc2cc3cc[nH]c(=O)c3cc2Cl)c(Cl)c1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccccn1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1cccnc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccncc1
NC(C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1cccc(Cl)c1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)[C@@H]1CCCNC1 |r|
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1(CCNCC1)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1(CCNC1)c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCCC1c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1ccccc1
Clc1cc2c(cc[nH]c2=O)cc1NC(=O)C1CNCC1c1cccc(Br)c1
COc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
CC(C)c1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
CC(C)(C)c1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
FC(F)(F)Oc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Cc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
CCc1cccc(c1)C1CNCC1C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-n1cnc2c(-[#7])ncnc12)-[#6](-[#7])=O |r|
[#6]-[#7](-[#6])-[#6]-1-[#6]=[#6]-[#6]-2=[#6](-c3ccc(cc3-[#8]-[#6]-2=[#6]-1)-[#7](-[#6])-[#6])-c1ccc(cc1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O)-[#6](-[#8])=O |r,w:40.44,c:4,17,t:6|
[#6]C1([#6])[#6]-2=[#6]-3-[#6]=[#6]-4-[#6](-[#6]-[#6]-[#7+]-5=[#6]-4C([#6])([#6])c4cc(-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c6cccc7cnccc67)-[#6](-[#7])=O)ccc-54)-[#8]-[#6]-3-[#6]-[#6]-[#7]-2-c2ccc(cc12)S([#6])(=O)=O |r,c:3,5,10|
NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(N)=O |r|
NCCCC[C@@H](NC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(=O)NCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r|
NCCCC[C@@H](NC(=O)CNC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(=O)NCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=C)C(N)=O |r|
NCCCC[C@@H](NC(=O)CCNC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(=O)NCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=C)C(N)=O |r|
NCCCC[C@@H](NC(=O)CCCNC(=O)CNCC(=O)NCCNS(=O)(=O)c1cccc2cnccc12)C(=O)NCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=C)C(N)=O |r|
[#6]-[#6](-[#7])=[#7]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-c1ccc(-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c2cccc3cnccc23)cc1)-[#6](-[#7])=O |r,w:3.3|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#7]S(=O)(=O)c1cccc2cnccc12)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r|
O=C(NCc1ccccc1)Nc1ccc(cc1)-c1ccncc1
c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3
COc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1
O=C(NCCCc1ccccc1)Nc1ccc2[nH]ncc2c1
Clc1ccc(CCNC(=O)Nc2ccc3[nH]ncc3c2)cc1
OC(CNC(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1
OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc2[nH]ncc2c1 |r|
OC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r|
O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1
CN(CCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1
OC[C@H](NC(=O)Nc1ccc(cc1)-c1ccncc1)c1ccccc1 |r|
O=C(NCCc1ccccc1)Nc1ccc(cc1)-c1ccncc1
OC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(cc1)-c1ccncc1 |r|
CN(C)C(=O)Nc1ccc2[nH]ncc2c1
CC(=O)Nc1ccc2[nH]ncc2c1
O=C(Nc1ccncc1)c1cccnc1
O=C(Nc1ccccc1)Nc1ccc2[nH]ncc2c1
Clc1ccncc1C(=O)Nc1ccncc1
Brc1cncc(c1)C(=O)Nc1ccncc1
Fc1ccc(cc1)-c1ccncc1C(=O)Nc1ccncc1
Fc1ccc(cc1)-c1cncc(c1)C(=O)Nc1ccncc1
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(F)c(Cl)c2)n2nccc2n1 |r,wU:4.7,wD:1.0,(19.34,-11.51,;18,-12.28,;16.67,-11.51,;15.33,-12.28,;15.33,-13.82,;16.67,-14.59,;18,-13.82,;14,-14.59,;12.67,-13.82,;12.67,-12.28,;11.33,-11.51,;11.33,-9.97,;12.67,-9.2,;12.67,-7.66,;14,-6.89,;15.33,-7.66,;16.67,-6.89,;15.33,-9.2,;16.67,-9.97,;14,-9.97,;10,-12.28,;8.54,-11.8,;7.63,-13.05,;8.54,-14.29,;10,-13.82,;11.33,-14.59,)|
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Nc1nccc2cc(CNCCc3ccccc3)ccc12
O=c1[nH]ccc2c(cccc12)S(=O)(=O)N1CCCNCC1
C(N1CCC[C@@H](C1)Oc1ccc2cnccc2c1)c1ccccc1 |r|
c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3
O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|
Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12 |r|
Nc1nccc2cc(O[C@H]3CCCNC3)ccc12 |r|
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 |r|
COCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CO)c1ccc(Cl)cc1
CS(=O)(=O)NCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
CS(=O)(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1
CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
CN(C)C(=O)CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC(=O)C(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1 |r|
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r|
CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1
CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccn1
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1cccnc1
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(F)cc1
CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccccc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(Cc1ccccc1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(c1ccccc1)c1ccc(Cl)cc1
NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
C[C@@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 |r|
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Nc1nccc(n1)-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
O=c1[nH]c(nc2ccc(cc12)-c1ccncc1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
COc1ccc(cc1)C(N)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1C
N[C@@H](Cc1ccccc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@@H](Cc1ccccc1)c1nc2ccc(cc2c(=O)[nH]1)-c1ccncc1 |r|
CN(C)CCNc1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccc(F)cc1 |r|
Fc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc(N2CCC2)c2cc(ccc2n1)-c1cn[nH]c1 |r|
CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
CN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H](N)Cc1cccc(F)c1 |r|
CN(CCO)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@@H](N)Cc1cccc(F)c1 |r|
CN(CCCO)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@H](N)Cc1cccc(F)c1 |r|
CN(CCO)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@H](N)Cc1cccc(F)c1 |r|
CN(C)CCN(C)c1nc(nc2ccc(cc12)-c1cn[nH]c1)[C@H](N)Cc1cccc(F)c1 |r|
COc1ccc(cc1)[C@@H]1CN(C)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
C[N+]1(C)C[C@H]([C@@H](C1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1)c1ccccc1 |r|
NCc1cccc(c1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
NCc1ccc(cc1)C(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
NCCC(=O)NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
CCN[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Clc1ccc(C[C@@H](NC(=O)Cc2cccnc2)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|
Fc1ccccc1[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Fc1cccc(c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1ccc(cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
FC(F)(F)c1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
Fc1ccc(cc1)[C@@H]1CNC[C@H]1c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1cc(cc2c1nc([nH]c2=O)C(N)c1cccc(Cl)c1)-c1cn[nH]c1
COc1cc(cc2c1nc([nH]c2=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
NC(c1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
NC(c1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1
N[C@H](Cc1cccc(c1)C(F)(F)F)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@H](Cc1cccc(F)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@H](Cc1cccc(Cl)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@H](Cc1ccc(F)c(F)c1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1OC |r|
CCOc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|
COc1ccc(C[C@H](N)c2nc3ccc(cc3c(=O)[nH]2)-c2cn[nH]c2)cc1 |r|
COc1cc(cc2c1nc([nH]c2=O)[C@H](N)Cc1cccc(F)c1)-c1cn[nH]c1 |r|
COc1cc(cc2c1nc([nH]c2=O)[C@@H](N)Cc1cccc(F)c1)-c1cn[nH]c1 |r|
N[C@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@@H](Cc1ccc(F)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
N[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(cc2c(=O)[nH]1)-c1cn[nH]c1 |r|
O=c1[nH]c(nc2ccc(cc12)-c1cn[nH]c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
Cc1[nH]ncc1-c1ccc2nc([nH]c(=O)c2c1)[C@@H]1CNC[C@H]1c1ccccc1 |r|
O=C(CCc1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1F)-c1cn[nH]c1
COc1cccc(CN(CCN2CCOCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
OCCN(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc(CN(CCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN2CCCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCCN2CCOCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(C(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cn2)-c2cn[nH]c2)c1
CN(C)CCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
OCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1cccc(F)c1
COc1cccc(c1)C(CCO)NC(=O)Nc1ccc(cc1)-c1cn[nH]c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1O[C@H]1CCN(C)C1)-c1cn[nH]c1 |r|
OCCC(NC(=O)Nc1ccc(cc1)-c1cn[nH]c1)c1ccccc1
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(CCO)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CN(C2CC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc(CN(C)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)OCCc1ccccc1
COc1cccc(CNC(=O)N(CCN2CCCC2)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)N(CCCN(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)N(CCN(C)C)c2ccc(cc2)-c2cn[nH]c2)c1
O=C(NCCCc1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc(OC)c1CNC(=O)Nc1ccc(cc1)-c1cn[nH]c1
O=C(NCC1CCCCC1)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc(CNC(=O)N(CCO)c2ccc(cc2)-c2cn[nH]c2)c1
COc1ccc(OC)c(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1ccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)cc1OC
COc1ccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)cc1F
COc1ccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c(OC)c1
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
COc1cc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)cc(OC)c1
O=C(Nc1ccc(cc1)-c1cn[nH]c1)N1CCc2ccccc2C1
COc1cccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1OC
COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(cc2OCCN(C)C)-c2cn[nH]c2)c1
O=C(NCCc1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
COc1cccc(CNC(=O)N(C)c2ccc(cc2)-c2cn[nH]c2)c1
COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5
Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
COC(=O)c1ccc(cc1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
CC(C)OCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
COCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
COCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
NCc1ccc(cc1-c1cccc(c1)C(O)=O)C(=O)Nc1ccncc1
CC(N)c1ccc(cc1-c1ccc(F)cc1)C(=O)Nc1ccncc1
NCc1ccc(cc1-c1cccc(c1)C(=O)OCCO)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OC1CCCOC1)C(=O)Nc1ccncc1F
CCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
CCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
COC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCO1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCCO1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OCc1ccccc1)C(=O)Nc1ccncc1
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCC1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CC1)C(=O)Nc1ccncc1F
CCCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
CCCCCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1
COC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
CCCOC(=O)c1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OC1CCCCC1)C(=O)Nc1ccncc1
NCc1ccc(cc1-c1cccc(c1)C(=O)Oc1ccccc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(O)=O)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCC1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCCC1)C(=O)Nc1ccncc1
NCc1ccc(cc1-c1cccc(c1)C(=O)OCC1CCCC1)C(=O)Nc1ccncc1
CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
NCCNc1nc(cc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(cc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(nc2cnccc12)-c1ccncc1
CC(C)(N)CNc1nc(nc2cnccc12)-c1ccc2[nH]ncc2c1
C1CN(CCN1)c1nc(nc2cnccc12)-c1ccc2[nH]ncc2c1
C1CN(CCN1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
C1CN(CCN1)c1nc(cc2ccccc12)-c1ccc2[nH]ncc2c1
NCCNc1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
NCCCNc1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccc2[nH]ncc2c1
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
COc1cccc(CNC(=O)Nc2ccc(cc2N(C)CCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)Nc2ccc(cc2OCCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)Nc2ccc(cc2OCCN2CCCC2)-c2cn[nH]c2)c1
COc1cccc(CN(C)C(=O)Nc2ccc(cc2N(C)CCN(C)C)-c2cn[nH]c2)c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1OCCN(C)C)-c1cn[nH]c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1OCCN1CCCC1)-c1cn[nH]c1
CCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1N(C)CCN(C)C)-c1cn[nH]c1
CNC(=O)N(CCN(C)C)c1ccc(cc1)-c1cn[nH]c1
COc1cccc(CNC(=O)Nc2ccc(cc2)C2=NC=NC3NC=CC23)c1 |c:21,25,t:19|
COc1cccc(CNC(=O)Nc2ccc(cc2)-c2ccncc2)c1
Clc1cccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1ccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)cc1
CC(C)N(Cc1ccccc1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
CN(C)CCSc1cc(ccc1NC(=O)NCc1ccccc1)-c1cn[nH]c1
CN(C)CCOc1cc(ccc1NC(=O)N(CCN(C)C)Cc1ccccc1)-c1cn[nH]c1
COc1ccccc1CNC(=O)Nc1ccc(cc1)-c1cn[nH]c1
Cc1cccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Nc1cccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Fc1cccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2)-c2c[nH]nc2C)c1
COc1cccc(CNC(=O)Nc2ccc(cc2)-c2ccnc(N)n2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2)-c2ccnc(N)c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2N(C)C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2OC)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2Cl)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2F)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2OCCN(C)C)-c2cn[nH]c2)c1
COc1cccc(CNC(=O)Nc2ccc(cc2OCCN2CCCC2)-c2cn[nH]c2)c1
CNC(=O)N(CCCN(C)C)c1ccc(cc1)-c1cn[nH]c1
O=C(NCc1ccccc1)Nc1ccc(cc1)-c1cn[nH]c1
CNC(=O)N(CCO)c1ccc(cc1)-c1cn[nH]c1
COc1cccc(CNC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
CN(C)CCN(C)c1cc(ccc1NC(=O)NCc1ccccc1)-c1cn[nH]c1
COc1cccc(CN(CCN)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
CNC(=O)N(C)c1ccc(cc1)-c1cn[nH]c1
OCCOc1cc(ccc1NC(=O)N(CCO)Cc1ccccc1)-c1cn[nH]c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)cc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]c(C)c(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2C(F)(F)F)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2OCCN(C)C)-c2ncnc3[nH]cc(C)c23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccncc2)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc(N)n2)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccnc3[nH]ccc23)c1
CCn1c2c(ncnc2[nH]c1=O)-c1ccc(NC(=O)Nc2cccc(c2)C(=O)NC(C)C)cc1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cnc23)c1
CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]ccc23)c1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
COc1ccccc1NC(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1cccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)c1
COc1ccc(NC(=O)Nc2ccc(cc2)-c2ncnc3[nH]cc(C)c23)cc1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4nccs4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccccn4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4F)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(F)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(F)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4Cl)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(Cl)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(Cl)cc4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4C)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4cccc(C)c4)cc3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccc(C)cc4)cc3)c12
COc1ccccc1N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1cccc(c1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
COc1ccc(cc1)N(CCO)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCN)c4ccc(Cl)cc4)cc3)c12
COc1ccc(cc1)N(CCN(C)C)C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12
CN(C)CCN(C(=O)Nc1ccc(cc1)-c1ncnc2[nH]cc(C)c12)c1ccc(Cl)cc1
CN(C)CCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
COCCN(C(=O)Nc1ccc(cc1F)-c1ncnc2[nH]c(C)c(C)c12)c1ccc(Cl)cc1
CC[C@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1 |r|
CC(C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(C(=O)OC2CCCC2)c1F)C(=O)Nc1ccncc1F
COC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1F
COCCOC(=O)c1ccc(F)c(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
COC(=O)c1ccc(F)c(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
COC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
CC[C@H](C)OC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1 |r|
COC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
COC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
COC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
COC(=O)Cc1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
COC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccccc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2ccc(cc2)C(O)=O)c1)C(=O)Nc1ccncc1F
COC(=O)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
CCCOC(=O)c1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
CN1CCC(CC1)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCCOC2)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCCC2)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCC2)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(=O)OC2CCOCC2)cc1)C(=O)Nc1ccncc1F
CC[C@@H](C)OC(=O)Cc1ccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)cc1 |r|
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(C(O)=O)c1F)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2cc(ccc2F)C(O)=O)c1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(NC(=O)c2cccc(c2)C(O)=O)c1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cc(ccc1F)C(O)=O)C(=O)Nc1ccncc1F
CCCOC(=O)c1cccc(c1)C(=O)Nc1cccc(c1)-c1cc(ccc1CN)C(=O)Nc1ccncc1F
CC[C@@H](C)OC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1 |r|
CCCOC(=O)c1ccc(F)c(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
CCC(C)OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
CCCCOC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
CC(C)OC(=O)c1cccc(NC(=O)c2cccc(c2)-c2cc(ccc2CN)C(=O)Nc2ccncc2F)c1
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(CC(O)=O)cc1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1ccc(cc1)C(O)=O)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(CC(O)=O)c1)C(=O)Nc1ccncc1F
NCc1ccc(cc1-c1cccc(c1)C(=O)Nc1cccc(c1)C(O)=O)C(=O)Nc1ccncc1F
Cc1c(CNC(=O)c2ccc-3c(OCc4cnccc-34)c2)cnn1C
CCn1c2cnccc2c2ccc(cc12)C(=O)N[C@H](C)c1cccc(OC)c1 |r|
CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1
COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1
COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1
CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1
COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)N(CCO)c4ccccc4)c(F)c3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cncnc4)c(F)c3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccnc(C)c4)c(F)c3)c12
Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4ccc(C)nc4)c(F)c3)c12
COc1ccc(NC(=O)Nc2ccc(cc2F)-c2ncnc3[nH]cc(C)c23)cc1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N
NC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2cccnc2)cc1
CCCCC(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Cc1cc(C)cc(c1)C(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Cc1ccc(C(=O)OCc2ccc(cc2)C(CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)Cc2ccccc2)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)c2ccccc2)cc1
CC(C)(C)C(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
CC(C)C(=O)OCc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)CN)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2cccnc2)cc1
Cc1cc(C)cc(c1)C(=O)Oc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Cc1ccc(C(=O)Oc2ccc(cc2)C(CN)C(=O)Nc2ccc3cnccc3c2)c(C)c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)Cc2ccccc2)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OC(=O)c2ccccc2)cc1
CC(C)(C)C(=O)Oc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
CC(C)C(=O)Oc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc2ccccc2c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc2ccccc12
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(cc1)C(F)(F)F
NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(c1)C(F)(F)F
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(CO)c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(OCc2ccccc2)cc1
COc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
COc1cccc(c1)C(CN)C(=O)Nc1ccc2cnccc2c1
COc1cc(ccc1O)C(CN)C(=O)Nc1ccc2cnccc2c1
Cc1cc(ccc1O)C(CN)C(=O)Nc1ccc2cnccc2c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)c(O)c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(O)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(O)c1
Cc1ccc(cc1)C(CN)C(=O)Nc1ccc2cnccc2c1
Cc1cccc(c1)C(CN)C(=O)Nc1ccc2cnccc2c1
Cc1ccccc1C(CN)C(=O)Nc1ccc2cnccc2c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1Cl
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(Cl)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(Cl)c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1Cl
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)c(F)c1
NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccc(F)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccc(F)cc1
NCC(C(=O)Nc1ccc2cnccc2c1)c1cccc(F)c1
NCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1F
NCC(C(=O)Nc1ccc2c(O)nccc2c1)c1ccccc1
NCCC(C(=O)Nc1ccc2cnccc2c1)c1ccccc1
NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 |r|
NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 |r|
C[C@@H](N1c2cc(ccc2C(=O)NC1(C)C)-n1c2cccnc2[nH]c1=O)c1ccccc1 |r|
CN(C)CCCn1cc(cn1)-c1ccc2C(=O)c3c([nH]c4cc(ccc34)-c3cn[nH]c3)-c2c1
Nc1n[nH]c2ccc(cc12)C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
COc1ccc2nc(CNC(=O)c3ccc(cc3)-c3cnccc3OCC3CCNCC3)[nH]c2c1
O=C(CNC(=O)c1ccc(cc1)-c1cnccc1OCC1CCNCC1)Nc1ccccc1
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
Cc1c2ccc(cc2[nH]n1)Nc3nc4ccoc4c(n3)NC5CC5
CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12