421 SMILES Strings for Tyrosine-protein kinase JAK1 [850-1154]

Compound Name
SMILES String
CN1CCN(CC1)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3cccc(CN4CCOCC4)c3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(nc3)N3CCCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cnc(nc3)N3CCCC3)n2n1)C1CC1
CN1CCN(CC1)c1ccc(cn1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(nc3)N3CCOCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)-c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cnc(nc3)N3CCOCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cnc(nc3)N3CCCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NC3CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)S(=O)(=O)NC3CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cccc(OCc4ccccc4)c3)n2n1)C1CC1
Fc1cc(ccc1OCc1ccccc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCOCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)-c3cccs3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NC(=O)c4ccccc4)cc3)n2n1)C1CC1
FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Cc1ccccc1)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Nc3ccncc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NC3CCCCC3)n2n1)C1CC1
CC(C)(C)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCNCC3)n2n1)C1CC1
Fc1cccc(CNC(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
CN(C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccccc1
COc1ccc(CN(C)C(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Fc1ccccc1C(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(NC(=O)c4cnccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4cccnc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccccn4)cc3)n2n1)C1CC1
FC(F)(F)Oc1cccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
O=C(Nc1nc2cccc(-c3ccc(OCC4CCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OC4CCCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCC4CCCCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCc3cccnc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Nc3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NC(=O)c4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NC(=O)C4CCCCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(Oc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(nc3)-c3ccccc3)n2n1)C1CC1
Cn1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)n1
Cc1noc(C)c1COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Cc1cc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)n(C)n1
Cc1n[nH]c(C)c1CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Cc1cc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)no1
COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Fc1ccccc1S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(NC(=O)c4ccccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCc3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCc4ccccc4C3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCOc3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(nc3)N3CCNCC3)n2n1)C1CC1
Cc1cc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)nn1C
Cc1nc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c(C)o1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4cccnc4)cc3)n2n1)C1CC1
Cc1nn(C)cc1S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)-c3cccnc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)-c3cn[nH]c3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(nc3)-c3cccnc3)n2n1)C1CC1
CCCc1cc(C(=O)Nc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)n(C)n1
O=C(Nc1nc2cccc(-c3ccc(NC(=O)C4CCC4)cc3)n2n1)C1CC1
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(NCc4ccccc4)cc3)n2n1)C1CC1
CCOCC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)C(=O)c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCN(Cc4ccccc4)CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)CCc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)Cc4ccccc4)cc3)n2n1)C1CC1
FC(F)(F)c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCN3CCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCCN3CCOCC3)n2n1)C1CC1
CCCc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Clc1ccc(cc1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3ccccc3)n2n1)C1CC1
Fc1cccc(CCS(=O)(=O)Nc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
Fc1cc(ccc1-c1cccc2nc(NC(=O)C3CC3)nn12)C(=O)N1CCCCC1
CCCCN(CCCN1CCOCC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)Nc1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
O=C(Nc1nc2cccc(-c3ccc(NCCC4CCOCC4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CCN4CCOCC4)CC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccnc(c3)N3CCC(CCN4CCOCC4)CC3)n2n1)C1CC1
CN(CCc1ccccc1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)(F)c1ccc(CCNC(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
O=C(Nc1nc2cccc(-c3ccc(OCCn4cccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ncon4)cc3)n2n1)C1CC1
Fc1cc(ccc1-c1cccc2nc(NC(=O)C3CC3)nn12)C(=O)NCCOc1ccccc1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)N3CCOCC3)n2n1)C1CC1
CC(C)(CN1CCOCC1)NC(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(Cc1ccccc1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(NCc4ccccc4)nc3)n2n1)C1CC1
COc1ccc(CCN(C)C(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1OC
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3cnn(c3)-c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1)C1CC1
O=C(CCOc1ccccc1)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(CCc1ccccc1)Nc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)Oc3cccnc3)n2n1)C1CC1
Fc1cc(ccc1-c1cccc2nc(NC(=O)C3CC3)nn12)C(=O)NCCc1ccccc1
O=C(Nc1nc2cccc(-c3ccnc(c3)N3CCC(CCc4ccccc4)CC3)n2n1)C1CC1
Clc1cccc(c1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCCc3ccccc3)n2n1)C1CC1
Fc1ccc(OCCOc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
Fc1cccc(NC(=O)COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
O=C(COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)N1CCCCC1
CN(C(=O)COc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccccc1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N[C@H]3CCN(Cc4ccccc4)C3)n2n1)C1CC1 |r|
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)n2n1)C1CC1 |r|
O=C(Nc1nc2cccc(-c3ccc4n(Cc5ccccc5)ccc4c3)n2n1)C1CC1
O=C(Nc1nc2cccc(C3=CC=C(CC3)NS(=O)(=O)CCOc3ccccc3)n2n1)C1CC1 |c:12,t:10|
O=C(Nc1nc2cccc(-c3ccc(NCCc4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)NCCc3cccnc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(cc4)-n4cccn4)cc3)n2n1)C1CC1
CN1CCN(Cc2ccc(COc3ccc(cc3)-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
O=C(Nc1nc2cccc(-c3ccc(OCCc4cccnc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)c3nc4ccccc4[nH]3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)N3CCOCC3)n2n1)C1CC1
CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
COc1ccccc1C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OC1(CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccc(Cl)cc1
Cc1ccccc1OCC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1CC(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(C)N(Cc1ccc(cc1)N1CCCCC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CCCN(CC1CCCO1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)c3cc4ccccc4[nH]3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCCCC4)cc3)n2n1)C1CC1
NC(=O)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
CC(=O)N1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC4)c4ccccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCN(CC4)c4ncccn4)cc3)n2n1)C1CC1
CC1CCCCN1C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CCc4ccccc4)CC3)n2n1)C1CC1
FC(F)(F)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Fc1ccc2c(noc2c1)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COCC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)n3nnc4ccccc34)n2n1)C1CC1
Fc1ccc(CN(CC2CCCO2)C(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
Cc1nccn1CCC1CCN(CC1)C(=N)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(CCc1ccccn1)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OC1(Cc2ccccc2)CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(Cc1ccccc1)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(OCc4nnn[nH]4)cc3)n2n1)C1CC1
CN(Cc1ccc(cc1)-c1ccccn1)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(Cc1cc(C)n(C)n1)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(Cc1ccc(cc1)-c1cncnc1)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(Cc1cccnc1)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC(F)(F)C1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)N4CCOCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)-c4cn[nH]c4)cc3)n2n1)C1CC1
CN1CCN(CC1)c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
FC1(F)CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCC(C3)c3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NCc4cccnc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NCc4ccccn4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NCCc4cccnc4)nc3)n2n1)C1CC1
Cc1cc(CNc2ccc(cn2)-c2cccc3nc(NC(=O)C4CC4)nn23)nn1C
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)N4CCCC4)cc3)n2n1)C1CC1
CC1(C)CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NC(=O)C4(CC4)C#N)cc3)n2n1)C1CC1
Cn1cc(cn1)-c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3ccc4n(ccc4c3)C(=O)CCc3ccccc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)c4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N(CCc3ccccc3)CC#N)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NCc4cccnc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)-c4nnn[nH]4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)Cc4ccccc4)nc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cnn(Cc4cccnc4)c3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3cn(Cc4ccccc4)nn3)n2n1)C1CC1
FC(F)(F)c1ccc(Cn2cc(nn2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
CC(Oc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccccn1
COC(=O)c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)nc1
O=C(Nc1nc2cccc(-c3ccc(NS(=O)(=O)C4CC4)nc3)n2n1)C1CC1
NC(=O)c1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3cn(Cc4ccccn4)nn3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)S(=O)(=O)Cc3ccccn3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)S(=O)(=O)Cc3cccnc3)n2n1)C1CC1
[O-][n+]1cccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
Cc1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
Clc1ccc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
Cn1cnc(COc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)n1
O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Cc1noc(C)c1CCOc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)N(Cc1cccnc1)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COc1ccc(NC(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Nc3ccc(nc3)N3CCOCC3)n2n1)C1CC1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Nc3cccnc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCS(=O)(=O)CC3)n2n1)C1CC1
CC(=O)N(Cc1ccccn1)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)C#N)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CCc4ccccn4)cc3)n2n1)C1CC1
Fc1cc(Cl)ccc1NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1(C)COCCN1Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
C[C@H]1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C[C@@H](C)O1 |r|
CC1CN(CC(C)O1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1(C)COCCN1C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3C[C@@H]4C[C@H]3CO4)n2n1)C1CC1 |r|
Cn1nc(cc1NC(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(CC3)C(=O)N3CCOCC3)n2n1)C1CC1
CC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Cc3cccnn3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNc4cccnn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNc4cccnc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNc4ccc(CC#N)cc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNc4ccccc4CC#N)cc3)n2n1)C1CC1
Fc1ccccc1NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
NC(=O)c1ccc(NCc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
NC(=O)c1cccc(NCc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1
O=C(Nc1nc2cccc(-c3ccc(CNc4ncccn4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4C[C@@H]5C[C@H]4CO5)cc3)n2n1)C1CC1 |r|
O=C(Nc1nc2cccc(-c3ccc(CN4CCOC(C4)c4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCC(CC4)C#N)cc3)n2n1)C1CC1
FC1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC1(F)CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
CN1CCN(CC1)c1ccc(NCc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
COc1ccc(NCc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)cn1
O=C(Nc1nc2cccc(-c3ccc(CNc4ccc(nc4)N4CCOCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(COc4ccccc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)-c3ccc(nc3)C#N)n2n1)C1CC1
FC(F)(F)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC(F)(F)CN1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
OC1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
CC(C)(O)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
O=C(Nc1nc2cccc(-c3ccc(CNc4ccccn4)cc3)n2n1)C1CC1
COc1c(F)ccc(NCc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)c1F
Fc1cccc(F)c1NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CCN(CC)C1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
FC1=C(CC(C=C1)C(F)(F)F)NCC1CCC(CC1)c1cccc2nc(NC(=O)C3CC3)nn12 |c:5,t:1,(.89,-3.47,;-.44,-4.24,;-1.78,-3.47,;-3.11,-4.24,;-3.11,-5.78,;-1.78,-6.55,;-.44,-5.78,;-4.44,-6.54,;-5.78,-5.77,;-4.44,-8.08,;-4.84,-5.06,;-1.78,-1.93,;-3.11,-1.16,;-3.11,.38,;-4.44,1.15,;-4.44,2.69,;-3.11,3.46,;-1.78,2.69,;-1.78,1.15,;-3.11,5,;-4.44,5.77,;-4.44,7.31,;-3.11,8.08,;-1.78,7.31,;-.31,7.79,;.59,6.54,;2.13,6.54,;2.9,5.21,;2.13,3.88,;4.44,5.21,;5.78,4.44,;5.78,5.98,;-.31,5.3,;-1.78,5.77,)|
Cc1ccc(cc1NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)C(N)=O
OCC1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
O=C(Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)N1CCCCC1
O=C(Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)N1CCS(=O)(=O)CC1
O=C(Nc1nc2cccc(-c3ccc(CNC(=O)C4CCC4)cc3)n2n1)C1CC1
CN(C)C1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OC1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
FC1(F)CCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)C1CC1
CN(C1CCS(=O)(=O)C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
NC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
NC(=O)C1CCCCN1C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OCC1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCNC(=O)C3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CC(C4)Oc4ccc(cc4)C#N)cc3)n2n1)C1CC1
CC(C)(C)OC(=O)NC1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
FC1CCCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
COC1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
CCOC1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
CN(C1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1)C(C)=O
O=C(Nc1nc2cccc(-c3ccc(cc3)N3CC(C3)OCc3ccc(cc3)C#N)n2n1)C1CC1
CCN(CC)C1CCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
OC1(CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)c1ccccc1
CC(=O)NC1CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)N3CC(C3)C#N)n2n1)C1CC1
CN(C)C1CCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCCC(C3)C(=O)N3CCCCC3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CCC(COc4cccnc4)CC3)n2n1)C1CC1
COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CCOC1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CCN(CC)C(=O)C1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)NC1CCCN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)N(Cc1ccc(nc1)C#N)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(C)CC1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
CN(C)C(=O)C1CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
O=C(Nc1nc2cccc(-c3ccc(CN4CC(C4)N4CCOCC4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(COc4ccc(CC#N)cc4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNc4ccon4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CC(C4)C#N)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNC4CCS(=O)(=O)C4)cc3)n2n1)C1CC1
O[C@H]1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1 |r|
NC(=O)c1ccccc1NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O[C@@H]1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1 |r|
CN1CCN(CC1)C(=O)NCc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(NC1=CC2C(=C1)C=CC=C2c1ccc(CNC(=O)N2CCOCC2)cc1)C1CC1 |c:6,9,11,t:3|
CC(C)(C)OC(=O)NC1CCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)CC1
O=C(Nc1nc2cccc(-c3ccc(CN4CCNC(=O)C4)cc3)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(CNC4CC4)cc3)n2n1)C1CC1
OC1CCCN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
CC1(C)CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
FC1(F)CN(Cc2ccc(cc2)-c2cccc3nc(NC(=O)C4CC4)nn23)C1
O=C(Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)Nc1cccnc1
FC1(F)CN(C1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12)N1CCC1
FC(F)(F)C1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1CC(C)CN(C1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
COC1CN(C1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)NC1CN(C1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC(=O)NC1CCN(CC1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CN(C)C(=O)C1CN(C1)C(=O)Cc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)OCc3ccc(cc3)C#N)n2n1)C1CC1
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)N3CCOCC3)n2n1)C1CC1
CN(C)C1CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)C#N)n2n1)C1CC1
CN(C)CC1CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)Nc3nc[nH]n3)n2n1)C1CC1
CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O |r,wU:6.5,wD:9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;-.83,.81,;-1.92,1.89,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-.03,3.78,;1.05,2.69,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)|
CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(1.71,-18.63,;3.03,-19.4,;4.36,-18.63,;4.36,-17.09,;5.69,-16.32,;6.01,-14.81,;4.98,-13.67,;3.48,-13.99,;2.45,-12.84,;2.92,-11.38,;1.89,-10.23,;.38,-10.55,;-1.12,-10.87,;4.43,-11.06,;5.46,-12.2,;7.54,-14.65,;8.17,-16.06,;7.03,-17.09,;7.03,-18.63,;5.69,-19.4,;8.31,-13.32,;7.54,-11.98,;9.85,-13.32,)|
CNc1cc2n([C@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:6.5,20.24,wD:9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;-.83,.81,;-1.92,1.89,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-.03,3.78,;1.05,2.69,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)|
CNc1cc2n([C@@H]3CC[C@H](CC#N)CC3)c(nc2cn1)C(C)O |r,wU:6.5,9.9,(-2.58,-3.7,;-1.24,-4.47,;.09,-3.7,;.09,-2.16,;1.42,-1.39,;1.74,.12,;.66,1.2,;1.05,2.69,;-.03,3.78,;-1.52,3.38,;-2.61,4.47,;-4.1,4.07,;-5.59,3.67,;-1.92,1.89,;-.83,.81,;3.28,.28,;3.9,-1.13,;2.76,-2.16,;2.76,-3.7,;1.42,-4.47,;4.05,1.61,;3.28,2.94,;5.59,1.61,)|
CNc1cc2n([C@@H]3CC[C@H](CC#N)CC3)c(nc2cn1)[C@@H](C)O |r,wU:20.24,6.5,9.9,(-2.67,-3.81,;-1.34,-4.58,;-.01,-3.81,;-.01,-2.27,;1.33,-1.5,;1.65,0,;.62,1.15,;1.09,2.61,;.06,3.76,;-1.44,3.44,;-2.48,4.58,;-3.98,4.26,;-5.49,3.94,;-1.92,1.97,;-.89,.83,;3.18,.17,;3.8,-1.24,;2.66,-2.27,;2.66,-3.81,;1.33,-4.58,;3.95,1.5,;3.18,2.83,;5.49,1.5,)|
C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O
C[C@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:1.1,18.21,wD:15.17,(-3.7,2.11,;-4.17,.65,;-5.68,.33,;-3.14,-.5,;-3.46,-2.01,;-2.13,-2.78,;-1.81,-4.28,;-.34,-4.76,;.8,-3.73,;2.33,-3.89,;2.96,-2.48,;1.81,-1.45,;.48,-2.22,;-.99,-1.74,;-1.61,-.34,;-.84,1,;.7,1,;1.47,2.33,;.7,3.66,;1.47,5,;3.01,5,;4.55,5,;-.84,3.66,;-1.61,2.33,)|
OC1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:16.17,wD:13.13,(-8.75,4.47,;-7.25,4.15,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-4.71,4.98,;-6.21,5.3,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
NC1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:16.17,wD:13.13,(-8.75,4.47,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
Fc1c(N[C@H]2CC[C@H](CC#N)CC2)nc(nc1N1CCNCC1)-c1cnn2ccccc12 |r,wU:7.7,wD:4.3,(-2.17,5.8,;-1.7,4.34,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;.29,2.55,;-.74,1.41,;-2.25,1.73,;-2.73,3.19,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
CN(C)C1CCN(CC1)c1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:18.19,wD:15.15,(-9.78,3.33,;-8.75,4.47,;-9.23,5.94,;-7.25,4.15,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-5.26,2.37,;-6.77,2.69,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
OCCOc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:13.13,wD:10.9,(-6.69,6.76,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
OC[C@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:15.15,wD:2.2,12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
OC[C@@H](O)COc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |wU:2.2,15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-6.77,2.69,;-7.25,4.15,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
OCCNc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:13.13,wD:10.9,(-6.69,6.76,;-6.21,5.3,;-4.71,4.98,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
CN(C)CCOc1nc(nc(N[C@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:15.15,wD:12.11,(-9.31,1.86,;-7.8,1.54,;-7.32,.08,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
CN(C)CCOc1nc(nc(N[C@@H]2CC[C@H](CC#N)CC2)c1F)-c1cnn2ccccc12 |r,wU:12.11,15.15,(-9.31,1.86,;-7.8,1.54,;-7.32,.08,;-6.77,2.69,;-5.26,2.37,;-4.23,3.51,;-2.73,3.19,;-2.25,1.73,;-.74,1.41,;.29,2.55,;-.19,4.02,;.84,5.16,;2.35,4.84,;2.82,3.38,;4.33,3.06,;5.36,4.2,;6.87,3.88,;7.9,5.02,;8.93,6.17,;4.88,5.67,;3.38,5.99,;-1.7,4.34,;-2.17,5.8,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,)|
C[C@H](Nc1nc(nc(N2CCC(N)CC2)c1F)-c1cnn2ccccc12)c1ccc(F)cn1
C[C@H](Nc1nc(nc(OCCO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1
C[C@H](Nc1nc(nc(OC[C@@H](O)CO)c1F)-c1cnn2ccccc12)c1ncc(F)cn1
OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCc1ccc(cc1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Nc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CN([C@@H]1CCCN(C1)C(=O)CC#N)c1nc(nc(-c2ccnc(C)c2)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(N2CCC(O)CC2)c1F)-c1cnn2ccccc12
OCC1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCNc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CN1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1c(N[C@@H]2CCCN(C2)C(=O)CO)nc(nc1N1CCOCC1)-c1cnn2ccccc12
COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12
CCOC(=O)C1(C)CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1ccn2ncc(-c3nc(N[C@@H]4CCCN(C4)C(=O)CO)c(F)c(n3)N3CCOCC3)c2c1
CCOC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OC(=O)C1CCN(CC1)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(-c2cn[nH]c2)c1F)-c1cnn2ccccc12
CC(C)(O)Cn1cc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12
CCOC(=O)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(O)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(OC(Cc2ccccc2)C([O-])=O)c1F)-c1cnn2ccccc12
CCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CCOC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(C#N)c1F)-c1cnn2ccccc12
NC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1cc(OCC(F)(F)F)nc(n1)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(OCC(F)F)c1F)-c1cnn2ccccc12
CC(C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(N2CCOCC2)c1F)-c1cnn2ccccc12
Fc1c(O[C@@H]2CCCN(C2)C(=O)CC#N)nc(nc1N1CCOCC1)-c1cnn2ccccc12
OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(CO)cn2)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(N[C@@H]2CCCN(C2)c2ncc(cn2)C#N)c1F)-c1cnn2ccccc12
COC[C@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
C[C@@H](CO)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COC[C@@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
C[C@H](CO)Oc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1cccnc1)-c1cnn2ccccc12
COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCOc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CN1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CN1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCCNc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCCNc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCc1cc(ccn1)-c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(c1F)-c1ccnc(CO)c1)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Oc1nc(nc(N2CCC(O)CC2)c1F)-c1cnn2ccccc12
OC1CCN(CC1)c1nc(nc(O[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
CN([C@@H]1CCCN(C1)C(=O)CO)c1nc(nc(-c2ccnc(C)c2)c1F)-c1cnn2ccccc12
OCc1cc(ccn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccc(nc1)C(O)=O)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccncc1)-c1cnn2ccccc12
CN(C)c1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1ncc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
CCOCCOc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1ccc(CO)nc1)-c1cnn2ccccc12
OCc1ccc(cn1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1nc(nc(c1F)-c1cncc(CO)c1)-c1cnn2ccccc12
OCc1cncc(c1)-c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CC#N)c1F)-c1cnn2ccccc12
C[C@H](O)COc1nc(nc(O[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COC[C@@H](C)Oc1nc(nc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)c1F)-c1cnn2ccccc12
CC(C)OC(=O)c1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1F)-c1cnn2ccccc12
COc1nc(nc(N[C@@H]2CCCN(C2)C(=O)CO)c1C)-c1cnn2ccccc12
COc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
COc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
COCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
COc1cc(ccn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
Cc1ccc(cn1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CO)nc(n1)-c1cnn2ccccc12
Cc1cc(cc(C)n1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
OCCOc1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12
OCCOc1cc(N[C@@H]2CCCN(C2)c2cnc(cn2)C#N)nc(n1)-c1cnn2ccccc12
OCC(=O)N1CCC[C@H](C1)Nc1cc(nc(n1)-c1cnn2ccccc12)-c1cncc(O)c1
Oc1cncc(c1)-c1cc(N[C@@H]2CCCN(C2)C(=O)CC#N)nc(n1)-c1cnn2ccccc12