1223 SMILES Strings for Tyrosine-protein kinase Fyn

Compound Name
SMILES String
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CC1CCCC1 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
C/C=C/C(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5ccccn5
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C=C)n2ccnc(N)c12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1S(=O)(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)s1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(CNC(=O)C=C)nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12
CC#CC(=O)N[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(=O)SCC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC(C)(O)C#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|
CCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C#CC1CC1 |r|
CCCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCCCN1C(=O)C=C
CC#CC(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CN(C)CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COCC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)N3CCCC3)c12)[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3S(=O)(=O)C=C)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(OC)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(F)c2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccon2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ncccn2)c2c(N)nccn12 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|
CN(C)C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(C)ccn2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccs2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCCN2S(=O)(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
Cc1cc(ccc1-c1nc([C@@H]2CCCCN2C(=O)C=C)n2ccnc(N)c12)C(=O)Nc1ccccn1 |r|
CN(C)C\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cccnn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cccnn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)\C=C\CN(C)C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)\C=C\CN3CCCC3)n3ccnc(N)c23)c1 |r|
CN(C)C\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(F)ccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nc3CCCCc3s2)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)c2ccnc(Cl)n2)n2ccnc(N)c12 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2C)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccncn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN4C(=O)\C=C\COC)n4ccnc(N)c34)c(C)c2)c1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|
CC#CC(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2nccc(C)n2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ncccn3)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
CC(=C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)C(=C)C(F)(F)F |r|
C\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1CC#N |r|
COC\C=C\C(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)N2CCCC2)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCCCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
COc1cc(ccc1C(=O)Nc1ccccn1)-c1nc([C@@H]2CCCN2C(=O)C#CC)n2ccnc(N)c12 |r|
CC(NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nccs3)c12)[C@@H]1CCCN1C(=O)C=C |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(C)C)c2c(N)nccn12 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)c(OC)c2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\c1ccccc1 |r|
CC(NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(F)ccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)C=C |r|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)NCc1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H](C)N(C)C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCCN1C(=O)c1ccnc(Cl)n1 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n3ccnc(N)c23)s1 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)s1 |r|
CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)s1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN1C(=O)c1ccnc(Cl)n1 |r|
COC\C=C\C(=O)N1CCOC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)\C=C\COC)n3ccnc(N)c23)c1 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CCCN1C(=O)C=C |r|
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C=C)n3ccnc(N)c23)c1 |r|
COC\C=C\C(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r|
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCN3C(=O)C#CC)n3ccnc(N)c23)c1 |r|
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)-c2ccccc2)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)\C=C\CN1CCCC1 |r|
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)C1CCCN1C(=O)C=C
CN(C)CC#CC(=O)N1CCCC1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12
C[C@H](NC(=O)C=C)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
C[C@H](NC(=O)c1ccnc(Cl)n1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
CCn1nc(C#Cc2cc(ccc2C)C(=O)Nc2ccc(CN3CCN(C)CC3)c(c2)C(F)(F)F)c2c(N)ncnc12
CN1CCC(CC1)n1nc(C#Cc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)c2c(N)ncnc12
Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)|
CC(=O)C(C#N)C(=O)Nc1cc(Br)ccc1Br
CN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CCN1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CCC1CCN(CCn2nc(-c3ccc(C)cc3)c3c(N)ncnc23)CC1
CN(C)CC1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3cnc4[nH]ccc4c3)c3c(N)ncnc23)CC1
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CN(C)C)CC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N2CCCCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)CC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NCc1ccccc1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1NC(=O)NC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
CN(C)C1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3ccc(CC(=O)OC(C)(C)C)cc3)c3c(N)ncnc23)CC1
CN(C)C1CCN(CCn2nc(-c3ccc(CC(O)=O)cc3)c3c(N)ncnc23)CC1
COc1cc(ccc1CC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COc1cc(ccc1Cc1ncc(C)o1)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
COC1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c(OC)c3)c3c(N)ncnc23)CC1
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
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
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
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
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1Cl
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:23
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(C)CC2)c2ncnc(N)c12 |wU:24.26,wD:27.33,(1.55,-1.69,;1.62,-3.24,;3.01,-3.96,;3.06,-5.49,;4.43,-6.21,;5.72,-5.39,;5.67,-3.86,;4.32,-3.13,;4.3,-1.59,;5.62,-.8,;6.97,-1.55,;5.6,.74,;6.72,1.79,;6.09,3.17,;6.72,4.59,;5.81,5.83,;4.29,5.68,;3.66,4.26,;4.56,3.01,;4.25,1.49,;2.85,.85,;4.49,-7.75,;5.72,-8.66,;5.25,-10.12,;6.2,-11.32,;7.73,-11.09,;8.68,-12.27,;8.12,-13.71,;6.6,-13.95,;5.63,-12.74,;9.08,-14.91,;10.61,-14.67,;11.57,-15.87,;11.02,-17.3,;11.97,-18.52,;9.49,-17.54,;8.52,-16.33,;3.72,-10.12,;2.68,-11.25,;1.19,-10.92,;.71,-9.48,;1.73,-8.33,;1.27,-6.86,;3.24,-8.66,)|
COc1cc2ncnc3Nc4c5OCOc5ccc4CN(CCCCCOc1cc23)C(=O)OCc1ccccc1
COc1ccc2c(c1)-c1nc(Nc3ccc(CCCN4CCCC4)c(OC)c3)ncc1CC2(C)C
COc1ccc2CCc3cnc(Nc4cc(C)c(OCCN(C)C)c(C)c4)nc3-c2c1
CC(=O)Nc1cccc(c1)-c1cncc(NCc2ccco2)n1
CCC(CO)Nc1cncc(n1)-c1ccc(O)cc1
CCC(CO)Nc1cncc(n1)-c1cc(ccc1OC)C(C)C
Nc1cccc(c1)-c1cncc(NCc2ccccc2)n1
CCC(CO)Nc1cncc(n1)-c1ccc(N)cc1
Oc1cccc(c1)-c1cncc(NCc2ccoc2)c1
COc1cc(Nc2cncc(c2)-c2cccc(NC(C)=O)c2)cc(OC)c1OC
COc1cccc(Cn2c3nc(cnc3[nH]c2=O)-c2cc(OC)c(OC)c(OC)c2)c1
C[C@@H](c1ccccc1)n1c2nc(cnc2[nH]c1=O)-c1cccc(c1)C(=O)N(C)C |r|
CN(C)c1cccc(c1)-c1cnc(Nc2ccc(cc2)N2CCOCC2)c2nccn12
COCCNc1ccc2ncc(-c3ccsc3)n2n1
COCCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
COCCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
OC(=O)c1ccc(cc1)-c1cnc2ccc(NCc3ccco3)nn12
COc1ccc(cc1)-c1cnc2ccc(NCc3ccco3)nn12
OCc1ccc(cc1)-c1cnc2ccc(NCc3ccco3)nn12
OCc1cccc(c1)-c1cnc2ccc(NCc3ccco3)nn12
CC(=O)c1cccc(c1)-c1cnc2ccc(NCc3ccco3)nn12
OCc1ccc(cc1)-c1cnc2ccc(NCc3cccs3)nn12
Nc1ccc(cc1)-c1cnc2ccc(NCc3cccs3)nn12
Fc1ccc(cc1)-c1cnc2ccc(NCc3cccs3)nn12
COc1cccc(c1)-c1cnc2ccc(NCc3cccs3)nn12
CC(=O)c1cccc(c1)-c1cnc2ccc(NCc3cccs3)nn12
CCC(CO)Nc1ccc2ncc(-c3cc(OC)c(OC)c(OC)c3)n2n1
CCC(CO)Nc1ccc2ncc(-c3ccc(OC)cc3)n2n1
CCC(CO)Nc1ccc2ncc(-c3ccc(CO)cc3)n2n1
CCC(CO)Nc1ccc2ncc(-c3ccc(OC)nc3)n2n1
CCC(CO)Nc1ccc2ncc(-c3cccc(OC)c3)n2n1
OCc1cccc(c1)-c1cnc2ccc(NCc3cccc(Cl)c3)nn12
Nc1ccc(cc1)-c1cnc2ccc(NCc3cccc(Cl)c3)nn12
OCc1ccc(cc1)-c1cnc2ccc(NCc3ccc(F)cc3)nn12
C(Nc1ccc2ncc(-c3ccncc3)n2n1)c1ccc2OCOc2c1
Oc1ccc(cc1)-c1cnc2ccc(NCc3ccc4OCOc4c3)nn12
C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccncc1
Nc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12
COc1ccc(cc1OC)-c1cnc2ccc(NC3CCOCC3)nn12
CC(=O)Nc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12
COc1cc(cc(OC)c1OC)-c1cnc2ccc(NC3CCOCC3)nn12
C1CC(CCO1)Nc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
COc1cccc(c1)-c1cnc2ccc(NC3CCOCC3)nn12
COc1ccc(CNc2ccc3ncc(-c4ccc(O)c(OC)c4)n3n2)cc1
OCCCNc1ccc2ncc(-c3ccc4OCOc4c3)n2n1
OCCCNc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1
OCCCNc1ccc2ncc(-c3cccc(c3)C(F)(F)F)n2n1
COc1cc(ccc1O)-c1cnc2ccc(NCCCO)nn12
OCCCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1 |r|
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc4OCOc4c3)n2n1 |r|
COc1ccc(cc1OC)-c1cnc2ccc(N[C@H](CO)C(C)C)nn12 |r|
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(cc3)C#N)n2n1 |r|
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccc(N)cc3)n2n1 |r|
C(Nc1ccc2ncc(-c3ccc4OCOc4c3)n2n1)c1ccccn1
COc1cccc(c1)-c1cnc2ccc(NCC3CC3)nn12
COc1ccc(Nc2ccn3ncc(-c4cccc(O)c4)c3n2)cn1
COc1cccc(c1)-c1cnn2ccc(Nc3ccc(OC)nc3)nc12
COc1ccc(Nc2ccn3ncc(-c4cccc(c4)C(C)=O)c3n2)cn1
Cc1ccc(Nc2ccn3ncc(-c4cccc(O)c4)c3n2)cc1NS(C)(=O)=O
COc1ccc(cc1OC)-c1cnn2ccc(NCc3cccnc3)nc12
COc1cc(cc(OC)c1OC)-c1cnn2ccc(NCc3cccnc3)nc12
COc1ccc(cc1)-c1cnn2ccc(Nc3ccc(cc3)C(C)C)nc12
C(Nc1ccc2ncc(-c3ccccc3)n2n1)c1ccco1
COc1cc(cc(OC)c1OC)-c1cnc2ccc(NCc3ccco3)nn12
Nc1cccc(c1)-c1cnc2ccc(NCc3cccs3)nn12
COc1cc(cc(OC)c1OC)-c1cnc2ccc(NCc3cccs3)nn12
COc1ccc(cc1)-c1cnc2ccc(NCc3cccs3)nn12
Oc1cccc(c1)-c1cnc2ccc(NCc3cccs3)nn12
CCC(CO)Nc1ccc2ncc(-c3cccs3)n2n1
COc1ccc(cc1)-c1cnc2ccc(NCc3cccc(Cl)c3)nn12
COc1ccc(cn1)-c1cnc2ccc(NCc3cccc(Cl)c3)nn12
COc1cc(ccc1O)-c1cnc2ccc(NCc3cccc(Cl)c3)nn12
CCCNc1ccc2ncc(-c3cccc(N)c3)n2n1
CCCNc1ccc2ncc(-c3ccc4OCOc4c3)n2n1
CCCNc1ccc2ncc(-c3ccsc3)n2n1
CCCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
CCCNc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
CCCNc1ccc2ncc(-c3ccc(cc3)C(O)=O)n2n1
CCCNc1ccc2ncc(-c3ccc(OC)cc3)n2n1
CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1
CCCNc1ccc2ncc(-c3cccc(OC)c3)n2n1
CCCNc1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
OC(=O)c1ccc(cc1)-c1cnc2ccc(NCc3ccc(Cl)c(Cl)c3)nn12
C(Nc1ccc2ncc(-c3ccccc3)n2n1)c1ccncc1
Nc1ccc(cc1)-c1cnc2ccc(NC3CCOCC3)nn12
COc1cc(ccc1O)-c1cnc2ccc(NCc3ccc(C)cc3C)nn12
COc1cncc(c1)-c1cnn2ccc(Nc3ccc(cc3)N3CCOCC3)nc12
Nc1cccc(c1)-c1cnn2ccc(NCc3cccnc3)nc12
COc1ccccc1-c1cnn2ccc(NCc3cccnc3)nc12
COc1ccc(cc1)-c1cncc(n1)-c1cccc(c1)C(=O)NCCCN(C)C
COc1ccc(cc1)-c1cncc(n1)-c1ccc(O)c(OC)c1
COc1ccc(cc1)-c1cncc(n1)-c1cccc(NC(C)=O)c1
CC(=O)Nc1cccc(c1)-c1cncc(n1)-c1cccc(O)c1
COc1cccc(c1F)-c1ccc2c(n[nH]c2n1)-c1ccc(cc1)C(=O)NCCCN(C)C
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1cccc(O)c1
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1cccc(c1)C(=O)NCCO
COc1cccc(c1)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(C)cc1
COc1cc(ccc1O)-c1cc(cnc1N)-c1cccc(Cl)c1
COc1cc(ccc1O)-c1cc(cnc1N)-c1cccc(F)c1
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccccc1
COc1cc(ccc1O)-c1cc(cnc1N)-c1cc(C)c(O)c(C)c1
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(F)cc1
COc1cc(ccc1O)-c1cc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
COCOc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
COCOc1ccc(cc1)-c1cc(cnc1N)-c1cccc(CO)c1
COCOc1ccc(cc1)-c1cc(cnc1N)-c1cccc(c1)C(N)=O
COCOc1ccc(cc1)-c1cc(cnc1N)-c1cccc(NC(C)=O)c1
Cc1cc(cc(C)c1O)-c1cnc(N)c(c1)-c1ccc(CO)cc1
COCOc1ccc(cc1)-c1cc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
Nc1ncc(cc1-c1cccc(O)c1)-c1ccc(cc1)N1CCOCC1
CC(=O)Nc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(O)cc1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1ccc(O)cc1
CN(C)c1cccc(c1)-c1cnc(N)c(c1)-c1ccc(O)cc1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1cccc(O)c1
CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(O)cc1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1cccc(N)c1
COc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(O)cc1
Cc1cc(cc(C)c1O)-c1cnc(N)c(c1)-c1ccncc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(OCCCN(C)C)nc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(F)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cc(C)c(O)c(C)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(NS(C)(=O)=O)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccccc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(c1)C(=O)NCCO
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(N)cc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(O)cc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(F)cc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)C(=O)NC1CC1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cc2ccccc2s1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(O)c1
COc1ccc(cn1)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(c1)N(C)C
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1cccc(c1)C(=O)N1CCN(C)CC1
COc1cc(ccc1O)-c1cnc(N)c(c1)-c1cccc(c1)N(C)C
COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1cccc(c1)N(C)C
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1cc(C)c(O)c(C)c1
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1cccnc1
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1cccc(CO)c1
CN(C)CCCOc1ccc(cn1)-c1cnc(N)c(c1)-c1cccc(c1)N(C)C
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1cccc(c1)C(N)=O
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1cccc(c1)N(C)C
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(F)c(Cl)c1
COc1ccc(cc1)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
COc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(O)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccoc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccccc1Oc1ccccc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
COc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(O)c(OC)c1
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(CO)cc1
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)N1CCN(C)CC1
CNc1ccc2ncc(-c3ccc(F)cc3)n2n1
CNc1ccc2ncc(-c3ccc(OC)cc3)n2n1
CNc1ccc2ncc(-c3ccccc3O)n2n1
CNc1ccc2ncc(-c3ccsc3)n2n1
CNc1ccc2ncc(-c3cccc(O)c3)n2n1
CNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
CNc1ccc2ncc(-c3cccc(c3)C(=O)N(C)C)n2n1
CNc1ccc2ncc(-c3cnn(C)c3)n2n1
CNc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
CNc1ccc2ncc(-c3ccc(OC)nc3)n2n1
CNc1cncc(n1)-c1ccc2[nH]ccc2c1
CCNC(=O)N1CCc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C1
CCCN1CCc2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C1
COc1ccccc1C(=O)N1Cc2cnc(Nc3cccc(c3)N(C)C)nc2C1
OCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN(C)C(=O)c1cccc(c1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CC(C)N1CCN(CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1cnn(Cc2ccccc2)c1
Oc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccs1
c1csc(c1)-c1cnc2cnc(cn12)-c1cccs1
OCCNC(=O)c1cccc(c1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)NC1CC1
CN1CCN(CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Nc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Nc1ccc(cn1)-c1cn2c(cnc2cn1)-c1cccs1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(c1)C(C)=O
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccs1
COc1cc(OC)cc(c1)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)NCCCN(C)C
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccncc1
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccccc1N(C)C
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1cccc(c1)C(=O)NCCO
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1cccnc1
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccccc1Cl
CCOc1cccc(c1)-c1cn2c(cnc2cn1)-c1ccc(O)c(OC)c1
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)NCCN(C)C
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccc(N)nc1
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccc(nc1)N1CCN(C)CC1
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1cnn(C)c1
COc1cc(cc(OC)c1OC)-c1cnc2cnc(cn12)-c1cccc(NS(C)(=O)=O)c1
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccc(cc1)C(=O)NCCCN(C)C
COc1cc(ccc1O)-c1cnc2cnc(cn12)-c1ccc(NCCN2CCOCC2)nc1
Cn1cc(cn1)-c1cn2c(cnc2cn1)-c1ccsc1
c1cc(cs1)-c1cnc2cnc(cn12)-c1ccccc1
OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccsc1
COc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(O)cc1
c1cc(cs1)-c1cnc2cnc(cn12)-c1cccnc1
c1csc(c1)-c1cn2c(cnc2cn1)-c1ccncc1
Oc1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccsc1
c1csc(c1)-c1cn2c(cnc2cn1)-c1ccsc1
CC(=O)Nc1cccc(c1)-c1cn2c(cnc2cn1)-c1ccsc1
CS(=O)(=O)Nc1cccc(c1)-c1cn2c(cnc2cn1)-c1ccsc1
c1coc(c1)-c1cn2c(cnc2cn1)-c1ccsc1
Oc1cccc(c1)-c1cnc2cnc(cn12)-c1ccccc1
NC(=O)c1cccc(c1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1cccnc1
OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(Cl)cc1
Oc1cccc(c1)-c1cnc2cnc(cn12)-c1cccs1
Cn1cc(cn1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
Oc1cccc(c1)-c1cnc2cnc(cn12)-c1ccco1
COc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
Cn1cc(cn1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
Cn1cc(cn1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN1CCN(CC1)c1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
OCCNC(=O)c1cccc(c1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
OCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(Cl)c1
Nc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccsc1
COc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(cc1)N1CCN(C)CC1
OCCNC(=O)c1cccc(c1)-c1cn2c(cnc2cn1)-c1ccsc1
CN1CCN(CC1)c1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccsc1
Nc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccsc1
c1cc(cs1)-c1cnc2cnc(cn12)-c1ccsc1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccsc1
Cn1cc(cn1)-c1cnc2cnc(cn12)-c1ccccc1Oc1ccccc1
CN1CCN(CC1)c1ccc(cn1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN(C)CCCOc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc2OCOc2c1
CCOc1cccc(c1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN1CCN(CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2OCOc2c1
Oc1cccc(c1)-c1cnc2cnc(cn12)-c1ccsc1
CN1CCN(CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2OCOc2c1
Nc1ccc(cn1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Cl)cc1
Oc1cccc(c1)-c1cnc2cnc(cn12)-c1ccc(NCCN2CCOCC2)nc1
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
OCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc2OCOc2c1
CN1CCN(CC1)c1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccccc1
CC(C)N1CCN(CC1)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1cccc(O)c1
Nc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc2OCOc2c1
CN(C)CCCOc1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
Oc1ccc(cc1)-c1cnc2cnc(cn12)-c1ccc(NCCN2CCOCC2)nc1
CN1CCN(CC1)c1ccc(cn1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NC3CCCCC3)nn12
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCCc3ccc(cc3)S(N)(=O)=O)nn12
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(7.48,1.47,;5.97,1.15,;5.5,-.31,;4.94,2.3,;5.42,3.76,;3.43,1.98,;2.4,3.12,;.9,2.8,;.42,1.34,;1.45,.19,;2.96,.51,;.98,-1.27,;1.88,-2.52,;.98,-3.76,;-.49,-3.29,;-1.95,-3.76,;-2.86,-2.52,;-4.4,-2.52,;-5.17,-1.18,;-4.4,.15,;-5.17,1.48,;-6.71,1.48,;-7.48,2.82,;-7.48,.15,;-6.71,-1.18,;-1.95,-1.27,;-.49,-1.75,)|
CC(=O)c1cccc(c1)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(6.72,1.15,;5.69,2.3,;6.17,3.76,;4.19,1.98,;3.16,3.12,;1.65,2.8,;1.18,1.34,;2.21,.19,;3.71,.51,;1.73,-1.27,;2.63,-2.52,;1.73,-3.76,;.27,-3.29,;-1.2,-3.76,;-2.1,-2.52,;-3.64,-2.52,;-4.41,-1.18,;-3.64,.15,;-4.41,1.48,;-5.95,1.48,;-6.72,2.82,;-6.72,.15,;-5.95,-1.18,;-1.2,-1.27,;.27,-1.75,)|
COc1ccc(cc1OC)-c1cnn2c(N)c(cnc12)-c1cccc(Cl)c1
CC(=O)Nc1cccc(c1)-c1cnc2sc(NCc3ccco3)nn12
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCC3CC3)nn12
CC(C)CNc1nn2c(cnc2s1)-c1cccc(c1)C(=O)N(C)C
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCc3ccc(F)cc3)nn12
CC(=O)Nc1cccc(c1)-c1cnc2sc(NCc3cccs3)nn12
Cn1cc(cn1)-c1cnc2sc(NCCc3ccc(cc3)S(N)(=O)=O)nn12
CN(C)c1cccc(c1)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(6.72,1.15,;5.69,2.3,;6.17,3.76,;4.19,1.98,;3.16,3.12,;1.65,2.8,;1.18,1.34,;2.21,.19,;3.71,.51,;1.73,-1.27,;2.63,-2.52,;1.73,-3.76,;.27,-3.29,;-1.2,-3.76,;-2.1,-2.52,;-3.64,-2.52,;-4.41,-1.18,;-3.64,.15,;-4.41,1.48,;-5.95,1.48,;-6.72,2.82,;-6.72,.15,;-5.95,-1.18,;-1.2,-1.27,;.27,-1.75,)|
CC(C)CNc1nn2c(cnc2s1)-c1cccc(NS(C)(=O)=O)c1
NC(=O)c1cccc(c1)-c1cnc2sc(NCCCO)nn12
OC1CCC(CC1)Nc1nn2c(cnc2s1)-c1ccc(O)cc1 |(-5.46,2.41,;-4.69,1.07,;-3.15,1.07,;-2.38,-.26,;-3.15,-1.6,;-4.69,-1.6,;-5.46,-.26,;-2.38,-2.93,;-.84,-2.93,;.07,-1.68,;1.53,-2.16,;3,-1.68,;3.9,-2.93,;3,-4.18,;1.53,-3.7,;.07,-4.18,;3.47,-.22,;2.44,.93,;2.92,2.39,;4.43,2.71,;4.9,4.18,;5.46,1.57,;4.98,.1,)|
NC(=O)c1cccc(c1)-c1cnc2sc(NCc3ccco3)nn12
COc1ccc(cn1)-c1cnc2sc(NCCc3ccc(cc3)S(N)(=O)=O)nn12
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCC3CCOCC3)nn12
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCc3ccccc3C)nn12
COc1cncc(c1)-c1cnc2sc(NCC(C)C)nn12
COc1cncc(c1)-c1cnc2sc(NCc3ccc4OCOc4c3)nn12
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1ccc(NC(C)=O)cc1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccc2OCOc2c1
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
CC(=O)Nc1cc(cn2c(cnc12)-c1cccc(c1)C(C)=O)-c1ccc(cc1)C(=O)N1CCOCC1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(OC(F)(F)F)c1
COc1ccc(cc1OC)-c1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(cc1)S(C)(=O)=O
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(NC(C)=O)c1
COc1ccc(CNc2nn3c(cnc3s2)-c2cccc(c2)C(=O)N(C)C)cc1
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(cc1)C(N)=O
CC(=O)Nc1ccc(cc1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
COc1cc(cc(OC)c1OC)-c1cnc2sc(NCCc3ccncc3)nn12
Fc1ccc(cc1)-c1cnc2c(NC=O)cc(nn12)-c1ccc(cc1)C(=O)N1CCOCC1
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCc3ccccc3)nn12
COc1ccc(cn1)-c1cnc2sc(NCc3ccncc3)nn12
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCc3ccco3)nn12
CN(C)c1ccc(cc1)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
CC(=O)c1cccc(c1)-c1cnc2c(NC=O)cc(cn12)-c1ccc(cc1)C(=O)N1CCOCC1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(NC(C)=O)c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(O)c1
OCc1ccc(cc1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
NC(=O)c1ccc(cc1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(CO)cc1
NC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
COc1cc(ccc1O)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
COc1ccc(cc1OC)-c1cc(=O)c2cc(O)ccc2o1
OCc1cccc(c1)-c1cnc2ccc(nn12)-c1cccnc1
OCc1cccc(c1)-c1cnc2ccc(Cc3ccc(F)cc3)nn12
COc1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(-c3ccncc3)n2n1
CN1CCN(CC1)c1ccc(Nc2cc3n(Cc4ccccc4)c(cc3cn2)-c2cccnc2)cc1
N(c1ccccn1)c1cc2[nH]c(cc2cn1)-c1cn[nH]c1
CS(=O)(=O)c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1
C(c1ccccc1)n1c(cc2cnc(Nc3ccncn3)cc12)-c1cccnc1
COc1cccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)c1
COc1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1OC
CN1CCN(CC1)c1ccc(Nc2cc3n(Cc4ccccc4)c(cc3cn2)-c2ccccc2)cc1
COc1ccccc1-c1ccc2ncc(-c3ccncc3)n2n1
NC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccncc3)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccccc1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(O)c1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1cccc(F)c1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(CO)cc1
OCc1cccc(c1)-c1cnc2ccc(nn12)-c1ccccc1
Clc1cccc(c1)-c1ccc2ncc(-c3ccncc3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccc(O)c(OC)c1
COc1ccccc1-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
COc1ccccc1-c1ccc2ncc(-c3cccc(CO)c3)n2n1
COc1cc(ccc1O)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
c1nc2ccc(nn2c1-c1ccccc1)-c1ccncc1
Oc1cccc(c1)-c1ccc2ncc(-c3ccncc3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccccc1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccc(F)cc1
COc1cc(cc(OC)c1OC)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
COc1cc(ccc1O)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
c1nc2ccc(nn2c1-c1ccccc1)-c1cccnc1
OCc1ccc(cc1)-c1ccc2ncc(-c3ccncc3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccccc1OC
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccoc1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccoc1
OCc1cccc(c1)-c1cnc2ccc(nn12)-c1ccoc1
CN(C)c1ccc(cc1)-c1ccc2ncc(-c3ccncc3)n2n1
CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3ccccc3)n2n1
c1nc2ccc(nn2c1-c1ccncc1)-c1ccccc1
Fc1cccc(c1)-c1ccc2ncc(-c3ccncc3)n2n1
COc1cccc(c1)-c1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
COc1cncc(c1)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
COc1cncc(c1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
C1Oc2ccc(cc2O1)-c1ccc2ncc(-c3ccncc3)n2n1
c1cc(co1)-c1ccc2ncc(-c3ccncc3)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(Cl)c1
COc1cccc(c1)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
OCc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(O)c1
NC(=O)c1ccc(cc1)-c1ccc2ncc(-c3ccccc3)n2n1
Oc1cccc(c1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
c1nc2ccc(nn2c1-c1cccnc1)-c1ccccc1
c1csc(c1)-c1ccc2ncc(-c3cccnc3)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(c1)C(C)=O
COc1cccc(c1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
COc1ccc(cc1OC)-c1ccc2ncc(-c3ccc(O)c(OC)c3)n2n1
COc1ccccc1-c1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cnn(C)c1
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(-c3cccs3)n2n1
C1Oc2ccc(cc2O1)-c1cnc2ccc(nn12)-c1cccnc1
OCc1ccc(cc1)-c1ccc2ncc(-c3cccnc3)n2n1
OCc1ccc(cc1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
COc1ccccc1-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
COc1cccc(c1)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
COc1cccc(c1)-c1ccc2ncc(-c3ccc(O)c(OC)c3)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccoc1
NC(=O)c1ccc(cc1)-c1ccc2ncc(-c3cccs3)n2n1
OCCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
OCc1cccc(c1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccs1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1ccccc1
CC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
OCc1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(F)c1
CC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
CN(C)c1cccc(c1)-c1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(N)nc1
OCc1ccc(cc1)-c1ccc2ncc(-c3cccs3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1cccc(NS(C)(=O)=O)c1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(c1)C(N)=O
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(-c3cccnc3)n2n1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1ccncc1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc2ncccc12
CS(=O)(=O)Nc1cccc(c1)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1ccccc1OC
CNC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
OCc1cccc(c1)-c1ccc2ncc(-c3cccs3)n2n1
Cn1cc(cn1)-c1ccc2ncc(-c3cccs3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1cccc(c1)C(=O)NCCO
Cn1cc(cn1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1cnn(C)c1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(F)c1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(N)c1
COc1ccccc1-c1ccc2ncc(-c3cccnc3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccncc1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1cccnc1
Cn1cc(cn1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
OCc1ccc(cc1)-c1cnc2ccc(nn12)-c1ccc(F)cc1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(O)c1
COc1ccc(cc1OC)-c1ccc2ncc(-c3ccncc3)n2n1
Fc1ccc(cc1)-c1ccc2ncc(-c3cccnc3)n2n1
OCc1cccc(c1)-c1ccc2ncc(-c3cccc(Cl)c3)n2n1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(F)cc1
c1csc(c1)-c1ccc2ncc(-c3ccccc3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1cccnc1
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1ccc(CO)cc1
CNC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3ccncc3)n2n1
c1cc(co1)-c1ccc2ncc(-c3cccnc3)n2n1
COc1ccc(cc1OC)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1ccoc1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccncc1
Cc1cccc(Cc2ccc3ncc(-c4ccncc4)n3n2)c1
Fc1ccc(cc1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1ccc(OC)c(OC)c1
COc1ccccc1-c1ccc2ncc(-c3cccc(O)c3)n2n1
OCc1ccc(cc1)-c1cnc2ccc(nn12)-c1ccccc1
CC(=O)Nc1ccc(cc1)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(CO)c1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(CO)c1
c1csc(c1)-c1cnc2ccc(nn12)-c1ccncc1
COc1cc(ccc1O)-c1ccc2ncc(-c3cccs3)n2n1
OCCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccccc3)n2n1
C(c1ccccc1)c1ccc2ncc(-c3ccncc3)n2n1
NC(=O)c1ccc(cc1)-c1ccc2ncc(-c3cccnc3)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccnc1
COc1cccc(c1)-c1ccc2ncc(-c3cccc(c3)C(C)=O)n2n1
Fc1ccc(Cc2ccc3ncc(-c4ccncc4)n3n2)cc1
Nc1cccc(c1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
C1Oc2ccc(cc2O1)-c1cnc2ccc(nn12)-c1ccoc1
COc1ccc(cc1OC)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
CN(C)CCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc4OCOc4c3)n2n1
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(F)c(Cl)c1
OCc1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(O)c1
COc1ccc(cc1OC)-c1ccc2ncc(-c3cccc(CO)c3)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(c1)C(C)=O
CN(C)CCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccs3)n2n1
C1Oc2ccc(cc2O1)-c1cnc2ccc(nn12)-c1ccccc1
Oc1cccc(c1)-c1ccc2ncc(-c3cccnc3)n2n1
COc1ccc(cc1OC)-c1cnc2ccc(nn12)-c1cccs1
Oc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(O)c1
CC(=O)Nc1cccc(c1)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(F)cc1
CNC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
OCc1cccc(c1)-c1ccc2ncc(-c3ccccc3)n2n1
Cn1cc(cn1)-c1ccc2ncc(-c3ccncc3)n2n1
CN(C)CCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1
OCc1ccc(cc1)-c1cnc2ccc(nn12)-c1ccc(CO)cc1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1ccc2OCOc2c1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccs1
COc1cncc(c1)-c1ccc2ncc(-c3cccs3)n2n1
c1csc(c1)-c1cnc2ccc(nn12)-c1cccs1
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cnn(C)c1
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccc2OCOc2c1
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(c1)C(N)=O
OCCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(O)c3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cc(OC)c(OC)c(OC)c1
OCc1cccc(c1)-c1ccc2ncc(-c3ccoc3)n2n1
NC(=O)c1ccc(cc1)-c1cnc2ccc(Cc3ccccc3)nn12
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccc(NC(C)=O)cc1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(OC(F)(F)F)c1
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(CO)c1
NC(=O)c1ccc(cc1)-c1cnc2ccc(Cc3ccc(F)c(F)c3)nn12
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(NC(C)=O)c1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
COc1cncc(c1)-c1cnc2ccc(Cc3ccccc3)nn12
Cc1cccc(Cc2ccc3ncc(-c4ccc(cc4)C(N)=O)n3n2)c1
COc1ccccc1-c1ccc2ncc(-c3cccc(c3)C(=O)NCCN(C)C)n2n1
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(Oc2ccccc2)c1
Oc1cccc(c1)-c1cnc2ccc(nn12)C1CC1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(F)c1
COc1cncc(c1)-c1cnc2ccc(Cc3ccc(F)cc3)nn12
NC(=O)c1ccc(cc1)-c1cnc2ccc(nn12)-c1cccc(F)c1
OCCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1cccc(c1)C(N)=O
Cc1cccc(Cc2ccc3ncc(-c4cnn(C)c4)n3n2)c1
CC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(c1)C(=O)NCCO
OCc1ccc(cc1)-c1cnc2ccc(Cc3ccccc3)nn12
COc1cc(ccc1O)-c1cnc2ccc(Cc3ccc(F)cc3)nn12
Cn1cc(cn1)-c1cnc2ccc(Cc3ccc(F)cc3)nn12
OCCNC(=O)c1cccc(c1)-c1ccc2ncc(-c3cccc(Cl)c3)n2n1
Cc1cccc(Cc2ccc3ncc(-c4cccc(c4)C(N)=O)n3n2)c1
CC(=O)c1cccc(c1)-c1cnc2ccc(Cc3ccccc3)nn12
Nc1ccc(cn1)-c1cnc2ccc(Cc3ccccc3)nn12
CN(C)CCNC(=O)c1cccc(c1)-c1cnc2ccc(nn12)-c1ccoc1
CNC(=O)c1cccc(c1)-c1ccc2ncc(-c3ccc(CO)cc3)n2n1
COc1ccccc1-c1n[nH]c2nccc(-c3ccc(cc3)N3CCOCC3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccc(F)c(Cl)c3)c12
COc1ccc(cn1)-c1ccnc2[nH]nc(-c3ccccc3OC)c12
COc1ncc(cn1)-c1ccnc2[nH]nc(-c3ccccc3OC)c12
CN(C)C(=O)c1ccc(cc1)-c1ccnc2[nH]nc(-c3cccc(F)c3)c12
CN(C)C(=O)c1ccc(cc1)-c1ccnc2[nH]nc(-c3ccsc3)c12
CC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(C3CC3)c12
Nc1cccc(c1)-c1ccnc2[nH]nc(-c3ccncc3)c12
OCc1ccc(cc1)-c1ccnc2[nH]nc(-c3cccc(F)c3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccsc3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3ccc(NC(C)=O)cc3)c12
COc1ccccc1-c1n[nH]c2nccc(\C=C\c3ccccc3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3cccc(F)c3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccc(cc3)C(N)=O)c12
OCc1ccc(cc1)-c1ccnc2[nH]nc(-c3ccccc3)c12
c1n[nH]cc1-c1ccnc2[nH]nc(-c3ccccc3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3ccc(cc3)C(C)C)c12
Clc1cccc(c1)-c1ccnc2[nH]nc(C3CC3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3cccc(c3)C(=O)NCCN(C)C)c12
COc1ccccc1-c1n[nH]c2nccc(-c3cccc(CO)c3)c12
NC(=O)c1ccc(cc1)-c1ccnc2[nH]nc(-c3cccc(F)c3)c12
NC(=O)c1ccc(cc1)-c1ccnc2[nH]nc(-c3ccc(Cl)cc3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3cccc(O)c3)c12
CC(=O)c1cccc(c1)-c1ccnc2[nH]nc(C3CCNCC3)c12
CC(=O)Nc1ccc(cc1)-c1ccnc2[nH]nc(-c3ccsc3)c12
COc1cc(ccc1O)-c1ccnc2[nH]nc(C3CCNCC3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3cccc(NS(C)(=O)=O)c3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccoc3)c12
Oc1cccc(c1)-c1ccnc2[nH]nc(-c3ccc4OCOc4c3)c12
c1cc(co1)-c1ccnc2[nH]nc(-c3cccnc3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3ccc(CO)cc3)c12
COc1cccc(c1)-c1ccnc2[nH]nc(C3CCNCC3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccc(cc3)C#N)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3ccc(cc3)C(=O)N(C)C)c12
OCc1ccc(cc1)-c1ccnc2[nH]nc(-c3ccc4OCOc4c3)c12
COc1ccc(F)cc1-c1ccnc2[nH]nc(C3CCNCC3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3ccc(cc3)S(C)(=O)=O)c12
OCc1ccc(cc1)-c1ccnc2[nH]nc(-c3cccc(Cl)c3)c12
OCc1cccc(c1)-c1ccnc2[nH]nc(-c3ccc4OCOc4c3)c12
c1cc(co1)-c1ccnc2[nH]nc(-c3ccccc3)c12
COc1ccc(cn1)-c1ccnc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c12
C1CC1c1n[nH]c2nccc(-c3ccco3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccco3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3ccc(CO)cc3)c12
COc1ccccc1-c1n[nH]c2nccc(-c3cccc(c3)C(C)=O)c12
c1cc(co1)-c1ccnc2[nH]nc(-c3ccncc3)c12
Nc1cccc(c1)-c1ccnc2[nH]nc(-c3cccc(F)c3)c12
NC(=O)c1cccc(c1)-c1ccnc2[nH]nc(-c3ccccc3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3cccc(N)c3)c12
COc1cc(cc(OC)c1OC)-c1n[nH]c2nccc(-c3cccc(F)c3)c12
OC(=O)\C=C\c1cccc(c1)-c1cnn2ccc(NCc3cccnc3)nc12
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1cccc(c1)C(N)=O
CN(C)c1cccc(c1)-c1cc(cnc1N)-c1ccc(s1)C(C)=O
CNc1ccc2ncc(\C=C/CCCO)n2n1
COc1cc(ccc1O)-c1cnc2sc(NCC3CCOCC3)nn12
COc1ccc(cc1OC)-c1cnc2c(NC(C)=O)cc(cn12)-c1cccc(NC(C)=O)c1
COc1cccc(c1)-c1cc(NC(C)=O)c2ncc(-c3cccc(c3)C(C)=O)n2c1
COc1cncc(c1)-c1cnc2sc(NCc3ccncc3)nn12
OC1CCC(CC1)Nc1nn2c(cnc2s1)-c1ccc(F)c(Cl)c1 |(-6.11,2.36,;-5.34,1.03,;-3.8,1.03,;-3.03,-.31,;-3.8,-1.64,;-5.34,-1.64,;-6.11,-.31,;-3.03,-2.98,;-1.49,-2.98,;-.59,-1.73,;.88,-2.21,;2.34,-1.73,;3.25,-2.98,;2.34,-4.22,;.88,-3.75,;-.59,-4.22,;2.74,-.24,;1.65,.85,;2.05,2.33,;3.54,2.73,;3.94,4.22,;4.63,1.64,;6.11,2.04,;4.23,.16,)|
COc1ccc(cc1OC)-c1cnc2sc(NCCc3ccc(cc3)S(N)(=O)=O)nn12
COc1ccc(c(OC)c1)-c1cc(NC(C)=O)c2ncc(-c3cccc(c3)C(C)=O)n2c1
COc1ccc(cc1OC)-c1cnc2sc(NCCc3ccncc3)nn12
C(Nc1nn2c(cnc2s1)-c1ccncc1)c1ccncc1
COc1ccc(cn1)-c1cnc2sc(NCCc3ccncc3)nn12
NS(=O)(=O)c1ccc(CCNc2nn3c(cnc3s2)-c2cccnc2)cc1
C(Nc1nn2c(cnc2s1)-c1ccc(cc1)N1CCOCC1)c1cccs1
COc1ccc(CNc2nn3c(cnc3s2)-c2ccc(CO)cc2)cc1
Clc1ccc(cc1)-c1cnc2sc(NCc3cccnc3)nn12
CC(=O)Nc1cccc(c1)-c1cnc2sc(NCCc3ccncc3)nn12
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NCCc3ccncc3)nn12
COc1ccc(CNc2nn3c(cnc3s2)-c2ccc(O)c(OC)c2)cc1
COc1ccc(cn1)-c1cnc2sc(NCc3cccnc3)nn12
Fc1ccc(cc1Cl)-c1cnc2sc(NCCN3CCOCC3)nn12
C(Cc1ccncc1)Nc1nn2c(cnc2s1)-c1ccncc1
COc1ccc(cn1)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(5.77,4.42,;4.28,4.02,;3.88,2.53,;2.39,2.14,;2,.65,;3.08,-.44,;4.57,-.04,;4.97,1.45,;2.69,-1.93,;3.59,-3.17,;2.69,-4.42,;1.22,-3.94,;-.24,-4.42,;-1.15,-3.17,;-2.69,-3.17,;-3.46,-1.84,;-2.69,-.51,;-3.46,.83,;-5,.83,;-5.77,2.16,;-5.77,-.51,;-5,-1.84,;-.24,-1.93,;1.22,-2.4,)|
CC(=O)c1ccc(s1)-c1cnc2sc(NCCN3CCOCC3)nn12
COc1ccccc1-c1cc(NC(C)=O)c2ncc(-c3cccc(c3)C(C)=O)n2c1
CS(=O)(=O)Nc1cccc(c1)-c1cc(NC=O)c2ncc(-c3ccc(F)c(Cl)c3)n2c1
C(Nc1nn2c(cnc2s1)-c1ccncc1)c1cccs1
CS(=O)(=O)Nc1cccc(c1)-c1cnc2sc(NC3CCCCC3)nn12
CC(C)CNc1nn2c(cnc2s1)-c1cccc(c1)C(N)=O
NC(=O)c1cccc(c1)-c1cnc2sc(NCC3CC3)nn12
OC1CCC(CC1)Nc1nn2c(cnc2s1)-c1cccc(F)c1 |(-6.11,3.1,;-5.34,1.77,;-3.8,1.77,;-3.03,.44,;-3.8,-.9,;-5.34,-.9,;-6.11,.44,;-3.03,-2.23,;-1.49,-2.23,;-.59,-.99,;.88,-1.46,;2.34,-.99,;3.25,-2.23,;2.34,-3.48,;.88,-3,;-.59,-3.48,;2.74,.5,;1.65,1.59,;2.05,3.08,;3.54,3.48,;4.63,2.39,;6.11,2.79,;4.23,.9,)|
COc1ccc(cc1OC)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(4.88,4.42,;3.39,4.02,;2.99,2.53,;1.5,2.14,;1.11,.65,;2.2,-.44,;3.68,-.04,;4.08,1.45,;5.57,1.84,;6.66,.75,;1.8,-1.93,;2.7,-3.17,;1.8,-4.42,;.33,-3.94,;-1.13,-4.42,;-2.04,-3.17,;-3.58,-3.17,;-4.35,-1.84,;-3.58,-.51,;-4.35,.83,;-5.89,.83,;-6.66,2.16,;-6.66,-.51,;-5.89,-1.84,;-1.13,-1.93,;.33,-2.4,)|
C(Nc1nn2c(cnc2s1)-c1cccnc1)c1cccs1
COc1ccc(cc1OC)-c1cnc2sc(NCc3ccncc3)nn12
CC(=O)Nc1cc(cn2c(cnc12)-c1ccc(F)cc1)-c1ccc(N)cc1
Cn1cc(cn1)-c1cc(NC=O)c2ncc(-c3ccc(F)cc3)n2c1
COc1cccc(c1)-n1c(N)c(C(N)=O)c2nc3ccccc3nc12
Fc1cccc(c1)-c1cnc2sc(NC3CCCCC3)nn12
C(Nc1nn2c(cnc2s1)-c1cccnc1)c1ccco1
Cn1cc(cn1)-c1cnc2sc(NCc3ccco3)nn12
COc1cncc(c1)-c1cnc2sc(NCc3cccs3)nn12
COc1ccc(cc1OC)-c1cnc2sc(NCC(C)C)nn12
CC(C)CNc1nn2c(cnc2s1)-c1cccc(c1)C(C)=O
C(Nc1nn2c(cnc2s1)-c1cccnc1)c1ccccc1
COc1cncc(c1)-c1cnc2sc(NCc3ccccc3)nn12
C(Nc1nn2c(cnc2s1)-c1cccnc1)C1CCOCC1
COc1cncc(c1)-c1cnc2sc(NCC3CCOCC3)nn12
COc1ccc(CNc2nn3c(cnc3s2)-c2cncc(OC)c2)cc1
Cc1ccccc1CNc1nn2c(cnc2s1)-c1cccnc1
CN1CCN(CC1)c1ccc(Nc2cc3n(C)c(cc3cn2)-c2cccc(c2)C(F)(F)F)cc1
Cn1c(cc2cnc(Nc3ccncn3)cc12)-c1cccc(c1)C(F)(F)F
CN1CCN(CC1)c1ccc(Nc2cc3n(C)c(cc3cn2)-c2cccc(F)c2)cc1
Cn1c(cc2cnc(Nc3ccncn3)cc12)-c1cccc(F)c1
NC1=C(C(=O)CN1c1ccc2OCOc2c1)c1nc2ccccc2[nH]1 |t:1|
CN(C)C(=O)c1ccc(cc1)-c1cc2c(Nc3ccc(cc3)N3CCN(C)CC3)nccc2[nH]1
COc1cc(OC)cc(c1)-c1cc2c(nccc2[nH]1)N1CCOCC1
COc1ccccc1-c1cc2c(Nc3ccc(NC(C)=O)cc3)nccc2[nH]1
COc1ccccc1-c1cc2c(Nc3cccc(c3)C(F)(F)F)nccc2n1C
COc1ccc(OC)c(c1)-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(F)cc1 |(7.28,-2.12,;6.19,-1.03,;4.7,-1.43,;4.31,-2.91,;2.82,-3.31,;1.73,-2.22,;.24,-2.62,;-.16,-4.11,;2.13,-.74,;3.62,-.34,;.79,.03,;1.27,1.5,;.02,2.4,;-1.22,1.5,;-.75,.03,;-1.99,-.87,;-3.24,.03,;-4.74,-.29,;-5.22,-1.75,;-5.77,.86,;-7.28,.54,;-5.3,2.32,;-3.79,2.64,;-3.32,4.11,;-2.76,1.5,;2.73,1.98,;3.88,.95,;5.34,1.42,;5.66,2.93,;7.13,3.4,;4.52,3.96,;3.05,3.48,)|
COC(=O)c1c(N)n(-c2cccc(O)c2)c2nc3ccccc3nc12
COc1cc(cc(OC)c1OC)-c1cc(cnc1N)-c1ccc(cc1)S(C)(=O)=O
NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(O)cc1
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(O)cc1
CN1CCN(CC1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(O)cc1
COc1ccc(cc1OC)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(5.14,4.34,;3.63,4.02,;3.16,2.55,;1.65,2.23,;1.18,.77,;2.21,-.38,;3.71,-.06,;4.19,1.41,;5.69,1.73,;6.72,.58,;1.73,-1.84,;2.63,-3.09,;1.73,-4.34,;.27,-3.86,;-1.2,-4.34,;-2.1,-3.09,;-3.64,-3.09,;-4.41,-1.76,;-3.64,-.42,;-4.41,.91,;-5.95,.91,;-6.72,2.25,;-6.72,-.42,;-5.95,-1.76,;-1.2,-1.84,;.27,-2.32,)|
CN(C)C(=O)c1cccc(c1)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(5.5,-.31,;5.97,1.15,;7.48,1.47,;4.94,2.3,;5.42,3.76,;3.43,1.98,;2.4,3.12,;.9,2.8,;.42,1.34,;1.45,.19,;2.96,.51,;.98,-1.27,;1.88,-2.52,;.98,-3.76,;-.49,-3.29,;-1.95,-3.76,;-2.86,-2.52,;-4.4,-2.52,;-5.17,-1.18,;-4.4,.15,;-5.17,1.48,;-6.71,1.48,;-7.48,2.82,;-7.48,.15,;-6.71,-1.18,;-1.95,-1.27,;-.49,-1.75,)|
COc1cncc(c1)-c1cnc2sc(NC3CCC(O)CC3)nn12 |(6.72,1.47,;5.69,2.62,;4.19,2.3,;3.16,3.44,;1.65,3.12,;1.18,1.66,;2.21,.51,;3.71,.83,;1.73,-.95,;2.63,-2.2,;1.73,-3.44,;.27,-2.97,;-1.2,-3.44,;-2.1,-2.2,;-3.64,-2.2,;-4.41,-.86,;-3.64,.47,;-4.41,1.8,;-5.95,1.8,;-6.72,3.14,;-6.72,.47,;-5.95,-.86,;-1.2,-.95,;.27,-1.43,)|
CCCNc1ccc2ncc(-c3ccc(O)c(OC)c3)n2n1
C(Nc1ccc2ncc(-c3ccncc3)n2n1)c1cccs1
COc1cc(ccc1O)-c1cnc2ccc(NC3CCOCC3)nn12
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCN(C)CC1
COc1cc(ccc1O)-c1cnc2ccc(NCc3cccs3)nn12
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
CCCNc1ccc2ncc(-c3ccncc3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(NCc3ccccn3)nn12
CN(C)CCCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
C1CC(CCO1)Nc1ccc2ncc(-c3ccncc3)n2n1
COc1cc(ccc1O)-c1cnc2ccc(N[C@H](CO)C(C)C)nn12 |r|
COc1ccc(cc1OC)-c1cnc2ccc(NCc3ccccn3)nn12
OCCCNc1ccc2ncc(-c3ccncc3)n2n1
CC(C)[C@@H](CO)Nc1ccc2ncc(-c3ccncc3)n2n1 |r|
CC(=O)c1cccc(c1)-c1cnc2ccc(NCCCO)nn12
COc1ccc(cc1OC)-c1cnc2ccc(NCc3cccs3)nn12
COc1ccc(cc1OC)-c1cnc2ccc(NCCCO)nn12
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1ccncc1
COc1cc(ccc1O)-c1cnc2ccc(NCc3ccc4OCOc4c3)nn12
CC(=O)c1cccc(c1)-c1cnc2ccc(NCc3ccc4OCOc4c3)nn12
COc1ccc(cc1OC)-c1cnc2ccc(NCc3ccc4OCOc4c3)nn12
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
CN(C)Oc1cccc(c1)-c1cnc2sc(NCc3ccc4OCOc4c3)nn12
OCc1cccc(c1)-c1cnc2ccc(nn12)-c1ccncc1
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1ccncc1
C(Nc1ccc2ncc(-c3ccncc3)n2n1)c1ccccn1
COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1cc(OC)c(OC)c(OC)c1
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCN(CC1)C(C)C
COc1cc(ccc1O)-c1cnc2ccc(nn12)-c1ccc(O)c(OC)c1
OCc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(CO)c1
COc1ccc(cc1OC)-c1cnc2sc(NCC3CCOCC3)nn12
CC(=O)Nc1cccc(c1)-c1cnc2ccc(nn12)-c1cccc(CO)c1
COc1cc(ccc1O)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1
COc1ccc(cc1O)-c1cnc(N)c(c1)-c1ccc(cc1)N1CCN(C)CC1
COC1CSSC1Cn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
Nc1ncnc2n(CC3SSCC3OCc3ccccc3)nc(-c3ccc(Oc4ccccc4)cc3)c12
Nc1ncnc2n(C[C@@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@@H]3SSC[C@@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(C[C@H]3SSC[C@H]3O)nc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(CC3SSCC3OC(=O)c3ccccc3)nc(-c3ccc(Oc4ccccc4F)cc3)c12
Nc1ncnc2n(CC3SSCC3O)nc(-c3ccc(Oc4ccccc4F)cc3)c12
Nc1ncnc2n(CC3SSCC3OC(=O)c3ccccc3)nc(-c3ccc(Oc4ccccc4)c(F)c3)c12
COC\C=C\C(=O)N1CCCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 |r|
COc1cc(O[C@@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 |r|
COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3F)ncnc2c1
COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
COc1cc(O[C@@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
CCOc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3F)ncnc2c1
CCOc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
CCOc1cc(O[C@@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(OC)c(Cl)cc3F)ncnc2c1
COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3cc(OC)c(Cl)cc3F)ncnc2c1 |r|
COc1cc(O[C@@H]2CCN(C)CC2(F)F)c2c(Nc3cc(OC)c(Cl)cc3F)ncnc2c1 |r|
CCOc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
CCOc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 |r|
CCOc1cc(O[C@@H]2CCN(C)CC2(F)F)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 |r|
CCN1CCC(Oc2cc(OC)cc3ncnc(Nc4c5OCOc5ccc4F)c23)C(F)(F)C1
CCN1CC[C@H](Oc2cc(OC)cc3ncnc(Nc4c5OCOc5ccc4F)c23)C(F)(F)C1 |r|
CCN1CC[C@@H](Oc2cc(OC)cc3ncnc(Nc4c5OCOc5ccc4F)c23)C(F)(F)C1 |r|
COc1cc(OC2CCN(CC2(F)F)C2COC2)c2c(Nc3c4OCOc4ccc3F)ncnc2c1
COc1cc(O[C@@H]2CCN(CC2(F)F)C2COC2)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
COc1cc(O[C@H]2CCN(CC2(F)F)C2COC2)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
COc1cc(OC2CCN(CC2(F)F)C2COC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1
COc1cc(O[C@@H]2CCN(CC2(F)F)C2COC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 |r|
COc1cc(O[C@H]2CCN(CC2(F)F)C2COC2)c2c(Nc3c4OCOc4ccc3Cl)ncnc2c1 |r|
COc1cc(OC2CCN(CC2(F)F)C(C)C)c2c(Nc3c4OCOc4ccc3F)ncnc2c1
COc1cc(O[C@H]2CCN(CC2(F)F)C(C)C)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
COc1cc(O[C@@H]2CCN(CC2(F)F)C(C)C)c2c(Nc3c4OCOc4ccc3F)ncnc2c1 |r|
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCCN1C(=O)C=C |r|
Fc1cccc(Cl)c1CNc1nc(n[nH]1)-c1ccco1
CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r|
COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r|
Nc1ncnc2n(C[C@H]3CCCN3S(=O)(=O)C=C)cc(-c3ccc4OCOc4c3)c12 |r|
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-.91,-10.51,;-1.37,-9.04,;-2.87,-8.71,;-3.34,-7.24,;-2.3,-6.11,;-.8,-6.44,;-.33,-7.91,;-2.72,-4.63,;-1.64,-3.52,;-2.06,-2.04,;-3.55,-1.66,;-4.63,-2.76,;-4.21,-4.25,;-4.03,-.2,;-3.12,1.05,;-4.03,2.3,;-3.55,3.76,;-4.69,4.8,;-4.36,6.3,;-2.89,6.77,;-2.56,8.27,;-1.1,8.74,;-.48,10.15,;1.05,10.33,;1.96,9.09,;1.35,7.68,;-.18,7.5,;-1.75,5.73,;-2.08,4.23,;-5.49,1.82,;-6.82,2.59,;-6.82,4.13,;-8.16,1.82,;-8.16,.28,;-6.82,-.49,;-5.49,.28,)|
OC(=O)CNC(=O)c1ccc(cc1)[N+]([O-])=O
OC(=O)c1cc(cc(c1)S(O)(=O)=O)C(O)=O
c1cscc1C(=O)O
COc1cc(Br)c(cc1OC)C(O)=O
OC(=O)Cc1cc(=O)oc2cc(O)ccc12
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,)|
[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|
[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|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
COc1cc2cn[nH]c2cc1-c1ccc(F)c2c(N)c(cnc12)C(N)=O
Nc1ncnc2n(C[C@H]3CCCN3C[C@@H]3CO3)cc(-c3ccc(Oc4ccccc4)cc3)c12 |r|
Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(Cl)cc3)c12
Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(CO)cc3)c12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1ccccc1\C=C\c1nc(Nc2ccc3OCOc3c2)c2ccccc2n1
COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O
Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCC1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc12
[O-][N+](=O)c1ccc(Cl)c(c1)-c1nccc2c1[nH]c1ccccc21
COc1ccc2c(c1)[nH]c1c(C)nccc21
Cc1nccc2c3ccc(F)cc3[nH]c12
CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)N=CCc1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |w:40.41|
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(O)c(O)c1)NOC(=O)Cc1ccc(O)c2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NOC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
C[C@H]1CC[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
CC1(COC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C
Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)C1CCNCC1
[H][C@]12COC(=O)N1C[C@@H](CC2)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
CC1(C)OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Nc1nccn2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCC2CCCO2)n1
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cccc(NCCO)n3)sc2c1
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NC(C)(C)C)sc2c1
Cc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)nc(NCCO)n1
CNc1cc(Nc2nc3ccc(cc3s2)C(=O)Nc2c(C)cccc2Cl)ncn1
COCCOc1cc2Nc3ncnc(Nc4cc(OC)c(Cl)cc4Cl)c3Cc2cc1OC
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CC(O)=O)CC3)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCOCC3)c2c1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CN3CCOCC3)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CN3CCOCC3)c2c1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(C)CC3)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN(C)C)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(C)CC3)c2c1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(N)=O)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCC(O)CC3)c2c1
CCOC(=O)CN1CCN(CCCc2c3CCCCc3[nH]c2\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)NC)CC1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CC(O)=O)CC3)c2c1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN3CCN(CCO)CC3)c2c1
CCS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCCN(C)C)c2c1
CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c4CCCCc4c3CCC(N)=O)c2c1
CCN1CCN(CC1)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cc1
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1ccc(Cl)cc1Cl
Cc1ccc(cc1C#Cc1cc(cnc1N)-c1cnn(C)c1)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1
Cc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(C)n1
CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)N(C(=O)C(=C4)C#N)C5CCCC5
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(C)CC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(C)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1nc2ccccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C#N)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N
COc1cc(ccc1NC(=O)c1cc(O)c2ccccc2n1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCNCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCN(CC2)C(C)=O)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(C)CC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C(N)=O)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4)N
COc1cc(ccc1NC(=O)c1ccc(OC(F)(F)F)cc1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(Cc3ccccc3)CC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1ccc(cc1)N(C)C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc(ccc1NC(=O)c1cccc(O)c1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC
Cc1cc(O)cc(C)c1C=Cc1cncc(c1)-c1nnn[nH]1 |w:10.11|
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
CC#CC(=O)N1CC[C@@H](C1)N1CN(c2c1ncnc2N)c1ccc(Oc2ccccc2)cc1 |r|
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN3CCC(O)CC3)cnc(N)c12
CCN(CC)C\C=C\c1cnc(N)c2c(csc12)-c1ccc(NC(=O)c2cc3ccccc3n2C)c(OC)c1
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,wD:33.36,(5.61,-23.77,;4.15,-23.29,;3.01,-24.32,;1.54,-23.84,;.4,-24.87,;.73,-26.38,;2.18,-26.85,;3.33,-25.82,;4.78,-26.3,;5.1,-27.8,;3.96,-28.84,;6.57,-28.28,;7.04,-29.76,;8.59,-29.75,;9.62,-30.9,;11.13,-30.57,;11.61,-29.11,;10.57,-27.96,;9.07,-28.28,;7.83,-27.37,;7.83,-25.83,;-1.07,-24.39,;-2.31,-25.31,;-3.56,-24.4,;-3.08,-22.94,;-3.85,-21.62,;-5.39,-21.62,;-6.16,-20.29,;-7.7,-20.3,;-8.47,-18.96,;-7.71,-17.63,;-8.47,-16.3,;-7.7,-14.97,;-6.16,-14.97,;-5.39,-13.64,;-5.4,-16.3,;-6.16,-17.63,;-3.09,-20.3,;-1.55,-20.29,;-.79,-21.62,;.75,-21.62,;-1.55,-22.94,)|
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CN[C@@H]3CC[C@H](N)CC3)cnc(N)c12 |wU:30.32,33.36,(28.87,-24.7,;27.4,-24.22,;26.26,-25.25,;24.79,-24.77,;23.65,-25.8,;23.98,-27.31,;25.43,-27.78,;26.58,-26.75,;28.03,-27.23,;28.36,-28.73,;27.21,-29.77,;29.82,-29.21,;30.29,-30.69,;31.84,-30.68,;32.87,-31.82,;34.38,-31.5,;34.86,-30.04,;33.82,-28.89,;32.32,-29.21,;31.08,-28.3,;31.08,-26.76,;22.18,-25.32,;20.94,-26.24,;19.69,-25.33,;20.17,-23.87,;19.4,-22.55,;17.86,-22.55,;17.09,-21.22,;15.55,-21.23,;14.78,-19.89,;15.54,-18.56,;17.09,-18.56,;17.85,-17.23,;17.09,-15.9,;17.86,-14.57,;15.55,-15.9,;14.78,-17.23,;20.16,-21.22,;21.7,-21.22,;22.47,-22.55,;24.01,-22.55,;21.7,-23.87,)|
COc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1csc2c(\C=C\CNC3CCNCC3)cnc(N)c12
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O
NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1
COC(=O)C(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
COCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
COCCOCC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
CN1CCN(CC(=O)Nc2cccc-3c2Cc2c-3n[nH]c2-c2csc(c2)C#CCOc2ccccc2)CC1
CCOC(=O)CC(=O)Nc1cccc-2c1Cc1c-2n[nH]c1-c1csc(c1)C#CCOc1ccccc1
COCCOCC#Cc1cc(cs1)-c1[nH]nc-2c1Cc1ccc(Cn3cncn3)cc-21
CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3csc(c3)C#CCOc3ccccc3)c2)CC1
Cc1nnc(NC2CCCCC2)nc1O
Cc1n[nH]c(Nc2ccc3c(c2)OCO3)nc1=O
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
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
CC(NCc1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1)C(C)(C)C
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Cc1ccc(cc1)-c1c(C(=O)CCl)n(CCCO)c2ncnc(N)c12
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(c2)C(N)=O)n1
COc1ccc(CN(C)C)c(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 |r|
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1
NC(=O)C(Nc1c(Nc2ccncc2)c(=O)c1=O)c1cccc(O)c1
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccccc2F)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccco2)c(=O)c1=O)c1ccccc1 |r|
C[C@@H](Nc1c(Nc2ccnc(c2)-c2ccsc2)c(=O)c1=O)c1ccccc1 |r|
CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Oc1cc2CC(Cc2cc1O)NCc1ccccc1
CCCN(CCC)CCc1ccc(O)c(O)c1
CCCN(CCC)C1Cc2cc(O)c(O)cc2C1
c1cc(c(cc1CCN)O)O
CCCN(CCC)C1Cc2c(C1)c(O)ccc2O
Oc1cc2CC(Cc2cc1O)N1CCCCC1
CCCN(CCC)C1Cc2ccc(O)cc2C1
CCCN(CCC)C1Cc2cc(O)cc(O)c2C1
CCCC1Cc2cc(O)c(O)cc2C1
CCCN(CCC)C1Cc2cc(O)c(OC)cc2C1
NC1Cc2cc(O)c(O)cc2C1
Oc1cc(=C)c(=C)cc1O
CCCN(CCC)C1CCc2cc(O)c(O)cc2C1
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2c(C)ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
CC(C)N1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2C3CCC2COC3)C2CCOCC2)cc1
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3ccccc3
C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
C=CC(=O)Nc1ccc2ncnc(Nc3ccc4ccccc4c3)c2c1
C=CC(=O)Nc1ccc2ncnc(NCc3cccc4ccccc34)c2c1
C=CC(=O)Nc1ccc2ncnc(NCCc3ccccc3)c2c1
C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc3cccc(c3)Br
CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Brc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)-c3ccccc3)c2c1
CC(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
CCC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)C(C)(C)C)c2c1
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
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
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Cc1c2CCCN3CCC[C@@H]3CNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 |r|
CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1
Nc1n(nc2cc([nH]c(=O)c12)-c1ccccc1)-c1ccccc1
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
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
COc1ccc(cc1)N1Cc2cnc(Nc3ccccc3)nc2N([C@@H]2CC[C@@H](O)C2)C1=O |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
COc1ccc(cc1)N1Cc2cnc(Nc3ccc(F)cc3)nc2N(C2CC[C@@H](O)C2)C1=O
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
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,)|
COc1cc(OC)c(\C=C2/C(=O)Nc3ccccc23)c(OC)c1
CN(C)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3cc4CCCCc4[nH]3)c2c1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
CC(C)C[C@H]1CN(CCN1)c1ccc(c(n1)C(=O)c1cccnc1N)C(F)(F)F |r|
Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cc(Cl)ccc1Cl
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
CN1CCN(CCC(=O)Nc2c(C)[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c2C)CC1
COc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
CCOc1ccc(cc1)-c1[nH]ncc1CN1CCN(CC1)S(=O)(=O)N1CCCC1
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc4OCOc4c3)C(=O)Nc3ccc(F)cc3)cc2c1
COC(Cn1nc(-c2ccccc2)c2c(N)nc(SC)nc12)c1ccccc1
CNc1nc(SC)nc2n(CCc3ccccc3)nc(-c3ccccc3)c12
CC(Cn1nc(-c2ccc3[nH]ccc3c2)c2c(N)ncnc12)c1ccccc1
CC(Cn1nc(-c2ccc(cc2)C(C)=O)c2c(N)ncnc12)c1ccccc1
CC(Cn1nc(-c2ccc(C)cc2)c2c(N)ncnc12)c1ccccc1
Cc1ccc(cc1)-c1nn(CC(Cl)c2ccccc2)c2ncnc(N)c12
COc1ccc(cc1)-c1nn(CC(Cl)c2ccccc2)c2ncnc(N)c12
CC(Cn1nc(-c2ccccc2)c2c(N)ncnc12)c1ccccc1
CC(Cn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12)c1ccccc1
CCCCSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12
Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccc(F)cc3)c12
Nc1ncnc2n(CC(Cl)c3ccccc3)nc(-c3ccccc3)c12
ClC(Cn1ncc2c(NCc3ccccc3)nc(Cc3ccccc3)nc12)c1ccccc1
CCC(C)Sc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
CSc1nc(NCCc2cccc(Cl)c2)c2cnn(\C=C\c3ccccc3)c2n1
OCCNc1nc(NCc2ccccc2)c2cnn(\C=C\c3ccccc3)c2n1
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6
CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
Cn1c(Nc2cccc(c2)C(C)(C)C)nc2cc(Oc3ccnc(c3)-c3ncc[nH]3)ccc12
CC(=O)Nc1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
CNC(=O)c1cc(Oc2ccc3n(C)c(Nc4cccc(c4)C(C)(C)C)nc3c2)ccn1
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)-n4cnc(C)c4)ccc3C)cnc2[nH]1
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(cn34)-c3cnn(C)c3)cc21
CCOC(Cn1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc12)OCC
CCS(=O)(=O)c1cc(Nc2ncc(F)c(n2)N(Cc2ccccc2C#N)c2cc(CO)ccc2C)ccc1N1CCN(C)CC1
Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1
Oc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1
Oc1ccc(NC(=O)c2cc3cccc(O)c3oc2=N)cc1
Oc1ccc2cc(C(=O)Nc3ccccc3O)c(=N)oc2c1O
OCc1ccccc1NC(=O)c1cc2ccc(O)c(O)c2oc1=N
Oc1ccc2cc(C(=O)Nc3ccccc3)c(=N)oc2c1O
CC(=O)c1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1
Oc1ccccc1NC(=O)c1cc2cccc(O)c2oc1=N
OCc1cccc(NC(=O)c2cc3cccc(O)c3oc2=N)c1
Oc1ccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)cc1
OCc1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1
Oc1cccc(NC(=O)c2cc3ccc(O)c(O)c3oc2=N)c1
CSc1nc(Nc2cccc(Cl)c2)c2ccn(CC(Cl)c3ccccc3)c2n1
CSc1nc(NCc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
CSc1nc(N2CCCC2)c2ccn(Cc3ccc(F)cc3)c2n1
CSc1nc(NCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
CSc1nc(NCCc2ccccc2)c2ccn(Cc3ccc(F)cc3)c2n1
CSc1nc(Nc2ccccc2)c2ccn(CC(Cl)c3ccccc3)c2n1
CSc1nc(N2CCCCC2)c2ccn(Cc3ccc(F)cc3)c2n1
CSc1nc(NCCc2ccc(Cl)cc2)c2ccn(Cc3ccc(F)cc3)c2n1
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12
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
FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12