934 SMILES Strings for Ephrin type-B receptor 4

Compound Name
SMILES String
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)C(C)C |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(CC(C)C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1C[C@H]2CN(C)C[C@H]2C1 |r|
CCN1C[C@@H]2C[C@H](COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5F)c4cc3OC)C[C@@H]2C1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(CC(C)C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN2CCOCC2CO1
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOCC2CO1 |r|
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@H]1CN2CCC[C@@H]2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5cc(Cl)c(Br)cc5F)c4cc3OC)CO[C@H]12 |r|
CO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@H]12 |r|
CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5F)c4cc3OC)CO[C@H]12 |r|
CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5F)c4cc3OC)CO[C@H]12 |r|
CO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5Cl)c4cc3OC)CO[C@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCCC[C@H]2C(=O)N1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2C(=O)N1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@@H]2C(=O)N1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2C(=O)N1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCC[C@@H]2C(=O)N1C |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCNC1CC2CCC(C1)N2C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN2CSC[C@H]2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CC2CCC(C1)N2C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CC2CCC(C1)N2C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1C[C@H]2CN(C)C[C@H]2C1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1CC2CCC(C1)N2C
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cc(Cl)c(Br)cc3F)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3F)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3Cl)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3Cl)c2cc1OC |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OCC21OCCO1 |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1OC |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)C(C)C |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)C(C)=O |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
CCOC(=O)N1C[C@@H]2CC(COc3cc4ncnc(Nc5ccc(Br)c(Cl)c5F)c4cc3OC)C[C@@H]2C1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@H]1C[C@H]2CN(C[C@H]2C1)S(C)(=O)=O |r|
CCN1C[C@@H]2C[C@H](COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5F)c4cc3OC)C[C@@H]2C1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@H]1CN2CCC[C@@H]2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1CN2CCC[C@@H]2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@H]1CN2CCC[C@H]2CO1 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCC[C@H]2CO1 |r|
CO[C@H]1CO[C@@H]2C(COc3cc4ncnc(Nc5ccc(F)c(Cl)c5F)c4cc3OC)CO[C@H]12 |r|
COC1CO[C@@H]2C(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)CO[C@H]12 |r|
CO[C@H]1CO[C@@H]2[C@H](COc3cc4ncnc(Nc5cc(Cl)c(Cl)cc5F)c4cc3OC)CO[C@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCCC[C@@H]2C(=O)N1 |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@@H]2[C@H](CO[C@H]12)OC(F)F |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC |r|
CCO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cccc(Br)c3C)c2cc1OC |r|
CO[C@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3cccc(Cl)c3C)c2cc1OC |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@@H]2CCO[C@H]12 |r|
CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC |r|
CO[C@@H]1O[C@@H]2[C@H](CO[C@@H]2[C@H]1OC)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1O[C@@H]1OC(C)(C)OC21 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cc1O[C@H]1CO[C@H]2[C@@H]1OCC2=C |r|
CO[C@H]1O[C@@H]2[C@H](CO[C@@H]2[C@H]1OC)Oc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1CCC2CCCCN2C1
COc1cc2c(Nc3ccc(F)c(F)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)cc3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)cc3Br)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3c(F)cccc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)c(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(F)ccc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cccc(F)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(Cl)ccc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(F)cc(F)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Br)cc3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(F)c(F)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3c(F)cc(F)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(F)c(Oc4ccc(Cl)cc4)c(F)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(F)c(Br)c(Cl)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(Cl)c(Cl)c(Cl)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cccc(Cl)c3C)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)c(F)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccccc3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccccc3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cccc(Cl)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)cc3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)cc3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)cc3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(Cl)ccc3Cl)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3c(F)cc(F)cc3Br)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(ccc3Cl)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cccc(c3F)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(ccc3Br)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(cc3Br)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(F)cc3C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(Br)cc(c3)C(F)(F)F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccccc3Br)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Br)cc3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(C)c(Br)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)cc3C)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3cc(C)cc(C)c3)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1ccc(OC)c(Nc2ncnc3cc(O[C@@H]4CO[C@H]5[C@H](F)CO[C@@H]45)c(OC)cc23)c1 |r|
COc1cc(OC)c(Nc2ncnc3cc(O[C@@H]4CO[C@H]5[C@H](F)CO[C@@H]45)c(OC)cc23)cc1Cl |r|
COc1cc(Nc2ncnc3cc(O[C@@H]4CO[C@H]5[C@H](F)CO[C@@H]45)c(OC)cc23)c(OC)cc1Cl |r|
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1O[C@@H]1CO[C@H]2[C@H](F)CO[C@@H]12 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(CN(C)C)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN(C)C)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCN(C)CC2)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCNCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCN(C)CC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCOCC2)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CNCCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCCN1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nsc(CN(C)C)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(Cc2ccccc2)CCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C(=O)OC(C)(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nsc(CN2CCOCC2)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nsc(CN2CCN(C)CC2)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CNCCCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCNC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCCN1C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCN(C)C1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C(C)(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nsc(n1)-c1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cccc2nsnc12
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(C)on1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(C)c1-c1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc2ccccc2s1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc2nonc2c1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nsc(n1)-c1cccs1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cnn(c1)-c1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1cccc(c1)C(F)(F)F
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1ccc(cc1)C(F)(F)F
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)-c1ccc(Cl)cc1
COc1ccc2cc(Br)ccc2c1COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cscn1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc(Cl)nc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccncc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(C)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(Cl)cc2COCOc12
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(Cl)n(C)nc1-c1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1=CC2C(S1)N(C)N=C2C(F)(F)F |c:34,t:26|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(no1)-c1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(C)cc(C)cc1C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cccnc1
COc1ccc(cc1)-c1cc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)on1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(Oc2ccc(Cl)cc2Cl)n(C)nc1C(F)(F)F
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC1CCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CCCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1OCCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1OCCCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1CCOCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1CCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1CCCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCN1C(=O)c2ccccc2C1=O
CO[C@@H]1O[C@@H](COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC(=O)N1CCOCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCCN1C(=O)OC(C)(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCN(CC1)C(=O)OC(C)(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccc(cc1)N1CCCC1
CCN(CC)c1ccc(cc1)-c1csc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccc(O)c(c1)C(N)=O
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1cccnc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccccn1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(cs1)-c1ccncc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N1CCOCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCOCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCN(C)CC2)cs1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc2CCNCc2s1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCOCC2)cs1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CN2CCCN(C)CC2)cs1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(COCc2ccccc2)n1
CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCNCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCN(C)CC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCN(CC1)C(=O)OC(C)(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCNCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCN(C)CC1
CCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
CCN1CCN(CC1)c1noc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
COC1=CCN(C=C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1 |c:6,t:2|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(cc1)C(F)(F)F
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)-c1ccc(Cl)cc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1c(C)noc1C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc2ccc(Cl)cc12
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)-c1ccc(cc1)C(C)(C)C
COc1ccccc1-c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nnc(o1)-c1ccc(C)cc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nccn1Cc1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(C)onc1-c1c(Cl)cccc1Cl |(-3.85,4.85,;-2.31,4.85,;-1.54,3.52,;0,3.52,;.77,2.19,;2.31,2.19,;3.08,3.52,;4.62,3.52,;5.39,4.85,;6.93,4.85,;7.7,3.52,;9.24,3.52,;6.93,2.19,;7.7,.85,;5.39,2.19,;3.08,.85,;2.31,-.48,;.77,-.48,;0,.85,;-1.54,.85,;-2.31,2.19,;-3.85,2.19,;-4.62,.85,;-6.16,.85,;-7.06,2.1,;-6.29,3.43,;-8.53,1.62,;-8.53,.08,;-7.06,-.39,;-6.67,-1.88,;-7.75,-2.97,;-9.24,-2.57,;-7.36,-4.46,;-5.87,-4.85,;-4.78,-3.77,;-5.18,-2.28,;-4.09,-1.19,)|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(F)cc2OCCOc12
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1cc(Br)cc(Br)c1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1c(F)cccc1F
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(CS(=O)(=O)c2ccccn2)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1ccccc1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1ccc2nc(cc(Cl)c2c1)C(F)(F)F
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCCC1CCCN1C
CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
CCN1CCCC(C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N(C)C
CCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
CCN1CCC(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)C1CCCN1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCN1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(COC(=O)c2ccccc2)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc2CC(C)NCc2s1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CSCN1 |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCCN1C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)C1CCCNC1
CCN1CCCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
CCN1CCCC(C1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
CCN1CCCC1c1noc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
CCC1Cc2nc(COc3cc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4cc3OC)sc2CN1
CCCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CC2CC2)CCCO1
COCCN1CCCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCO1)C(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)N1CCNCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCN1
CCN1CCCC1c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)no1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)[C@@H]1CCCN1C |r|
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(n1)[C@@H]1CCCN1C |r|
CCN1CCN(CC1)c1nc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)cs1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(C)CCN1C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C1CCCC1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCO1)C(C)C
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCc2ccccc2)CCO1
COCCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
CCOC(=O)C(C)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCC=C)CCO1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCOCCO)CCO1
COC(=O)CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN(CCCCCC#N)CCO1
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
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3nn(C(=O)OC(C)(C)C)c4ncnc(N)c34)cc2C(F)(F)F)CC1
COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl
COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC
COc1cc(Nc2ncnc(Nc3c4OCOc4ccc3Cl)n2)cc(OC)c1OC
COc1cc(Nc2cc(Nc3c4OCOc4ccc3Cl)ncn2)cc(OC)c1OC
COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccccc2)n1
Fc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
Fc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
Fc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
Clc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
Clc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
Clc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
Cc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
Cc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
Cc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
COc1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
COc1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
COc1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccccc2C#N)n1
Clc1ccc2OCOc2c1Nc1ccnc(Nc2cccc(c2)C#N)n1
Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccc(cc2)C#N)n1
NS(=O)(=O)c1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
NS(=O)(=O)c1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
CS(=O)(=O)c1ccccc1Nc1nccc(Nc2c3OCOc3ccc2Cl)n1
CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
CS(=O)(=O)c1ccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc1
Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccccc2N2CCOCC2)n1
c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl
Clc1ccc2OCOc2c1Nc1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2OCOc2c1
CC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
Cc1ccc(cc1)-c1ccc([nH]1)C(O)=O
Nc1sc(=N)n(CC=C)c1C#N
O=C1CCCc2c1[nH]c1ccccc21
Cc1cccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1
COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CC3CCCO3)Cc3ccccc3)cc2c1
CC(C)CCn1c(SCCN2CCOCC2)nc2n(C)c(=O)[nH]c(=O)c12
Cc1ccc(Cn2c(SCCN3CCCCC3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
CCOC(=O)C1CCN(C1=O)S(=O)(=O)Cc1ccccc1
CCC(C)(C)NC(=O)C(N(C(=O)c1csnn1)c1cccc(F)c1)c1ccco1
CN(C)c1nc2OCCn2c(=O)n1
O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NC1CCCC1
O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
Cn1c2nc(NCCc3ccccc3)n(CC=C)c2c(=O)n(C)c1=O
CCC1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCCC2CC)c1
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Clc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccco3)nc2N1
COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
Cc1onc(c1C(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1)-c1ccccc1 |t:21|
CCCn1c(NC(=O)C2COc3ccccc3O2)nc2ccccc12
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Brc1ccccc1-c1nnc(CN2c3cccc4cccc(c34)S2(=O)=O)o1
COC(=O)c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1
CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
COC(=O)CSC1=NC2=C(C(C1C#N)c1ccc(C)cc1)C(=O)CCC2 |c:8,t:6|
Cc1cc(C)n2nc(SC3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1
CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O |(9.6,14.75,;8.1,14.43,;7.62,12.97,;8.52,11.73,;10.06,11.73,;10.83,10.4,;12.37,10.4,;13.27,11.64,;14.74,11.17,;14.74,9.63,;15.98,8.72,;17.39,9.35,;18.64,8.44,;18.48,6.91,;17.07,6.28,;15.82,7.19,;13.27,9.15,;12.8,7.69,;13.83,6.54,;13.35,5.08,;11.85,4.76,;10.81,5.9,;11.29,7.36,;10.26,8.51,;7.62,10.49,;6.16,10.96,;4.83,10.19,;3.49,10.96,;3.49,12.5,;4.83,13.27,;6.16,12.5,;2.16,10.19,;.83,10.96,;2.16,8.65,)|
CCOC(=O)C1=C(N2C=CS(=O)(=O)NC2S1)c1ccccc1 |c:8,t:5|
CSc1cccc(c1)-n1c(C)cc(C(N)=O)c1C
CC1CCN(CC1)S(=O)(=O)c1cc(Br)cc(c1)C(=O)NC1=NCCS1 |t:22|
c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1
COCCn1c(C)cc(C(=O)COc2nc3ccccc3nc2C)c1C
Clc1ccccc1OCc1ccc(o1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
CCOC(=O)N1CCC(CC1)n1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O |t:21|
Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Cc1ccc(cc1)-n1ncc2c1ncn(CC(=O)N1CCCCCC1)c2=O
CC1CCC2(CC1)OC(=O)C(C)=C2C(=O)N1CCC2(CC1)OCCO2 |c:12|
CN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12
CCOC(=O)c1c(C)oc2c1c1CN(Cc3cccnc3)COc1c1ccccc21
CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
[H]C12OC3(CN(Cc4ccccc4Cl)C(=O)C3C1C(=O)NCCCC)C=C2 |c:28|
Cc1csc2nc(CNS(=O)(=O)c3cc(C)c(C)cc3C)cn12
CCOC(=O)N1CCC(CC1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)N1CCOCC1
Fc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1 |t:7,16|
CN(C)c1nccc(Nc2ccccc2)c1C#N
CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)c1
OC(=O)c1ccc(CSc2nnc([nH]2)-c2ccco2)cc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NCCCN1CCCC1=O |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O
CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)C#N
Fc1ccccc1N1CCN(CC1)S(=O)(=O)N1CCOCC1
Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)CN1CCCCC1
CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(Cn2nnc3ccccc23)c1
O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccoc1
CC(C)Cn1c(O)c(C#N)c(C)cc1=O
CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1
CCOc1cccc(c1)-n1c(O)cc(=O)[nH]c1=O
CCCc1nnc(SCc2ccc(o2)C(=O)OC)n1N
COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1
COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1
CCOC(=O)c1oc2cccc(O)c2c1CN(Cc1ccccc1)C(C)=O
[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]\[#6]=[#6](\Cl)Cl)cc1
CC(O)c1cccc(NC(=O)CCC(O)=O)c1
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(F)c1
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccncc1
COc1ccc(Cn2nnnc2C(N2CCC(C)CC2)c2cc3ccc(OC)cc3[nH]c2=O)cc1
COc1ccc(cc1)C(C)NC(=O)c1ccccc1
COCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1
O=C(Nc1cccnc1)C1COc2ccccc2O1
COc1cccc(c1)C(C#N)N1CCOCC1
Nc1ccc(Sc2cc(cnc2C#N)C(F)(F)F)cc1
CCOC(=O)c1sc2nc(C)c3COC(C)(C)Cc3c2c1N
Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1 |c:14|
Cc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)(C)C)-c1nc2cccnc2o1
CN(C(=O)N1CCN(CC1)c1ccccn1)c1ccccc1
OC(CC(=O)c1cccs1)(c1ccccc1)C(F)(F)F
CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1
[H]C12CC3([H])CC(CC(O)=O)(C1)CC(C2)(C3)n1ncc(Nc2ccc(C)cc2)c(Cl)c1=O |THB:2:1:12:3.5.15,16:13:5:1.11.2,14:13:5:1.11.2,14:1:5:13.12.15|
CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccccc1 |(3.08,-2.05,;4.62,-2.05,;4.62,-3.59,;4.62,-.51,;6.16,-2.05,;6.93,-.72,;8.47,-.72,;9.24,-2.05,;8.47,-3.38,;6.93,-3.38,;10.15,-3.3,;11.61,-2.82,;11.61,-1.28,;12.86,-.37,;10.15,-.8,;9.67,.66,;10.7,1.81,;10.22,3.27,;8.72,3.59,;7.69,2.45,;8.16,.98,)|
Fc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc2OCOc2c1 |t:8|
Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1
Cc1cc(OC(=O)c2ccco2)c2c3CCCCc3c(=O)oc2c1
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(C)CC1
OC(=O)CCC(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Cl)cc1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
COc1ccccc1C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:11|
Cc1cc(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)c(C)n1Cc1ccccc1
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCC1=CCCCC1 |t:19|
Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(cc1)C(F)(F)F |c:14|
Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1
Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NC1CC1
O=C1N=c2ccccc2=C1NNc1nc2ccccc2s1 |c:9,t:2|
CC(C)C(C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Cl)cc1
Cn1cc(Cl)c(n1)C(=O)OCC(=O)Nc1ccccc1
Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Clc1ccc(cc1)C(=O)NN=c1c2cccc3cccc(c23)c1=O |w:10.10|
Cc1cccc2c(C(O)=O)c3CCCCCc3nc12
CCOc1ccc(cc1OCC)C(CCc1ccccc1)NC(=O)c1ccccc1F
CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
CN1C(=O)S\C(=C\c2cccnc2)C1=O
Fc1ccc(Sc2cc(Cl)c(nn2)-c2ccccc2)cc1
COc1ccc(cc1OC)C(=O)NN=C1SCC(=O)N1Cc1ccc2OCOc2c1 |w:13.13|
Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
Cc1cc(N2CCN(CC2)c2ccccn2)n2cc(nc2n1)-c1ccccc1
Clc1cccc(CN=Nc2ncnc3ccccc23)c1 |w:8.8|
Oc1ccccc1C=Nn1c(n[nH]c1=S)-c1cccs1 |w:8.9|
[O-][N+](=O)c1cccc(\C=C\C(=O)NCCN2CCOCC2)c1
CC(C)CC(=O)NC(=S)NCCc1ccccc1
OC(=O)C(\NC(=O)c1cccc2ccccc12)=C/c1ccco1
[O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1
[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\[#7]-c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6]-1=O
Clc1ccccc1\C=C\C(=O)NCc1ccccc1
Cc1ccc(cc1C)N1C2=C(C(=O)CC(C)(C)C2)C(O)(C1=O)C(F)(F)F |t:10|
O=C(NNC(=O)C(=O)NC1CCCCC1)C1CCCCC1
CCOC(=O)c1ccc(NC(=S)NCC(O)c2ccccc2)cc1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCC4CCCC4)cc3)nnc2c1
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
CN1CCN(CC1)C(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)cc1
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(o3)C(=O)NCCN3CCCC3)nnc2c1
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3nc(cs3)C(=O)NCCN3CCCC3)nnc2c1
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(O)ccc1Cl
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1Cl
Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Oc1ccc(Nc2nnc3cc(ccc3n2)-c2c(Cl)cccc2Cl)cc1
FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)ccc1Cl
CC(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1
FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)cc(c1)C(F)(F)F
FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(F)c(F)c2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(Br)cc2OC(F)(F)F)cc1
Clc1cccc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)c1
Fc1ccc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)cc1F
Clc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Cc1cccc(C)c1NC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)C=C)nc1
Fc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)c1
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)cc1Cl
FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)ccc1Cl
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc3OCOc3c2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(OC(F)(F)F)ccc2Br)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(Br)ccc2OC(F)(F)F)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2ccc3c(c2)nc[nH]c3=O)c1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(Cl)cc2Cl)cc1
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2ccc(NC(=O)C=C)nc2)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc(OCCCN3CCOCC3)c(F)c2)cc1
Cc1ccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)cc1Cl
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)c12
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1Cl
CC(C)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c(F)c1
Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Fc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
Cc1cccc(C)c1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Fc1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1
O=C(Nc1ccc(cc1)-c1ccc2c(c1)[nH]cnc2=O)C1(CCC1)C(=O)Nc1cccc(c1)C#C
FC(F)(F)c1cc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)ccc1Cl
FC(F)(F)c1cccc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)c1
FC(F)(F)c1cc(NC(=O)C2(CCC2)C(=O)Nc2ccc(cc2)-c2ccc3c(c2)[nH]cnc3=O)cc(c1)C(F)(F)F
Cc1cc(Br)ccc1NC(=O)C1(CCC1)C(=O)Nc1ccc(cc1)-c1ccc2c(c1)[nH]cnc2=O
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4Cl)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)c12
FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)ccc1Cl
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1
Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccc(NC(=O)C=C)n1
Clc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c1
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)cc1
Clc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc(NC(=O)C=C)n2)c(Cl)c1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
CCN(CCO)Cc1cc(Nc2nc(C)cn3c(cnc23)-c2cn[nH]c2)sn1
Cc1cn2c(cnc2c(Nc2cc(ns2)C(NC(C)(C)C)c2ccccn2)n1)-c1cn[nH]c1
Cc1cn2c(cnc2c(Nc2cc(Cc3ccccn3)ns2)n1)-c1cn[nH]c1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
[H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
COc1cc(O)c(C(O)=O)c(c1)C1=C(C)C[C@@H](O)C1=O |r,wD:16.17,c:13,(10.48,-22.79,;11.26,-21.46,;10.49,-20.12,;11.26,-18.8,;10.49,-17.47,;11.26,-16.14,;8.97,-17.47,;8.2,-16.14,;8.96,-14.8,;6.65,-16.13,;8.21,-18.79,;8.97,-20.12,;6.66,-18.79,;5.76,-17.54,;4.98,-16.2,;4.29,-18.01,;4.29,-19.55,;3.04,-20.45,;5.75,-20.03,;6.22,-21.5,)|
Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
COc1cc2c(C(=O)OC22C(C)CC(=O)C2=O)c(O)c1
COc1cc(O)c2c(c1)-c1cc(O)c(O)cc1COC2=O
COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
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](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|
Fc1ccccc1-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2F)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)cc1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
FC(F)(F)c1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(N)c2)cc1
COc1ccc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(Cl)c2)cc1
Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cccnc2)nn1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(NC(=O)C3CC3)c2)cc1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Fc1ccccc1-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
C(c1ccc(cc1)-c1cncnc1)n1cc(nn1)-c1ccccc1
Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
O=C(Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1)C1CC1
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2F)cc1
Cc1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cnn(C)c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2cccc(N)c2)cc1
Cc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
Nc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2ccccc2)cc1
Clc1cccc(c1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
FC(F)(F)c1ccc(cc1)-c1cn(Cc2ccc(cc2)-c2cncnc2)nn1
Fc1ccccc1-c1cn(Cc2ccc(cc2)-c2cn[nH]c2)nn1
Cn1cc(cn1)-c1ccc(Cn2cc(nn2)-c2ccc(cc2)C(F)(F)F)cc1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2CCC3C=NNC3C2)c(Cl)c1 |c:33|
Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)NCC)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1c(N)c(C(N)=O)c2nc3ccccc3nc12)C(C)(C)C
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-n2c(N)c(C(N)=O)c3nc4ccccc4nc23)n(n1)-c1ccc2ncccc2c1
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Nc1nccc2scc(-c3ccc(F)c(Cl)c3)c12
COc1ccc(cc1)-c1csc2c(cnc(N)c12)-c1cc(OC)c(OC)c(OC)c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1cccc(CC(N)=O)c1
Nc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12
Nc1ncc(Br)c2scc(-c3ccc(F)c(Cl)c3)c12
Nc1ncc(-c2ccccc2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(Br)csc12
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Nc1ncc(-c2cccc(Cl)c2)c2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
NC(=O)Cc1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc2ccccc2c1
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc(Cl)cc1
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1cccnc1
CS(=O)(=O)c1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
Nc1ncc(-c2cccc(c2)S(N)(=O)=O)c2scc(-c3ccc(F)c(Cl)c3)c12
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1cccc(Cl)c1Cl
COc1cc(cc(OC)c1OC)-c1cnc(N)c2c(csc12)-c1ccc(cc1)C(C)=O
COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1
COc1cccc(c1)-n1c(N)c(C(N)=O)c2nc3ccccc3nc12
COc1cccc(c1)-n1c2ncnc(N)c2c2CCCCc2c1=O
Cc1ccc(O)c(C)c1-c1cc(-c2cc(F)nc(N3CC[C@@H](N)C3)c2)cc(C(N)=O)c1N
O=C(Nc1ccc(-c2ccc3c(=O)[nH]cnc3c2)cc1)Nc1ccc(F)c(F)c1
CCN(CC)CCOc1ccc(Nc2cc(NC(=O)Nc3c(Cl)cccc3Cl)ncn2)cc1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(/C=C/c4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCC[Si](C)(C)C)c2ccccc12 |t:13|
Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
NC(=N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O
CN=C(N)SCCCn1c(=O)c2c(n3c(cc4ccccc34)c3cccc4ccn2c34)c1=O |w:1.0|
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2Cl)cc1Cl
Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2[nH]ccc12
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
COc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1-c1nc2ccccc2s1
N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl
c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N
CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(C)(=O)=O
CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(C)(=O)=O
CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1
CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(N)(=O)=O
CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1
CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(NS(C)(=O)=O)c1
CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
NC(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)N1CCOCC1
NC(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1 |(16.51,-2.42,;16.51,-.88,;17.85,-.11,;19.17,-.88,;20.5,-.11,;20.5,1.43,;19.17,2.19,;17.85,1.42,;16.52,2.19,;16.53,3.73,;15.06,4.22,;14.15,2.97,;15.05,1.72,;14.15,.48,;12.68,.95,;11.35,.19,;11.35,-1.35,;10.03,.96,;8.69,.18,;10.03,2.5,;11.35,3.27,;11.35,4.81,;12.68,2.5,;17.86,4.51,;19.2,3.74,;20.52,4.52,;20.52,6.06,;19.17,6.82,;17.84,6.04,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C |(28.6,-45.77,;28.6,-44.23,;29.94,-43.46,;31.26,-44.23,;32.59,-43.46,;32.59,-41.92,;31.26,-41.16,;29.94,-41.93,;28.61,-41.16,;28.62,-39.62,;27.15,-39.13,;26.24,-40.38,;27.14,-41.63,;26.24,-42.87,;24.77,-42.4,;23.44,-43.16,;23.44,-44.7,;22.11,-42.39,;20.78,-43.17,;22.11,-40.85,;23.44,-40.08,;23.44,-38.54,;24.77,-40.85,;29.95,-38.84,;31.29,-39.61,;32.61,-38.83,;32.61,-37.29,;31.26,-36.53,;29.93,-37.31,;28.59,-36.55,)|
Cn1c2nc3n(CCCCO)c(cn3c2c(=O)[nH]c1=O)-c1ccccc1
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cccc(O)c1 |(15.4,-17.54,;15.41,-16,;16.74,-15.23,;18.07,-16,;19.4,-15.23,;19.39,-13.69,;18.06,-12.93,;16.75,-13.7,;15.42,-12.93,;15.42,-11.39,;13.96,-10.9,;13.05,-12.15,;13.95,-13.4,;13.05,-14.64,;11.58,-14.17,;10.25,-14.93,;10.25,-16.47,;8.92,-14.16,;7.59,-14.94,;8.92,-12.62,;10.25,-11.85,;10.25,-10.31,;11.58,-12.62,;16.75,-10.61,;16.74,-9.08,;18.06,-8.3,;19.41,-9.06,;19.42,-10.6,;20.76,-11.36,;18.09,-11.38,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1C |(16.89,-42.99,;16.89,-41.45,;18.23,-40.68,;19.55,-41.45,;20.88,-40.68,;20.88,-39.14,;19.55,-38.38,;18.23,-39.15,;16.9,-38.38,;16.91,-36.84,;15.44,-36.35,;14.53,-37.6,;15.43,-38.85,;14.53,-40.09,;13.06,-39.61,;11.74,-40.37,;11.73,-41.91,;10.41,-39.61,;9.07,-40.38,;10.41,-38.07,;11.74,-37.29,;11.74,-35.75,;13.06,-38.07,;18.24,-36.06,;19.58,-36.83,;20.9,-36.05,;22.24,-36.81,;20.9,-34.51,;19.55,-33.75,;18.23,-34.53,;16.89,-33.77,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(O)cc1C |(-1.58,-43.46,;-1.58,-41.92,;-.25,-41.15,;1.08,-41.91,;2.41,-41.15,;2.41,-39.61,;1.08,-38.85,;-.24,-39.61,;-1.57,-38.85,;-1.56,-37.3,;-3.03,-36.82,;-3.94,-38.06,;-3.04,-39.32,;-3.94,-40.56,;-5.41,-40.08,;-6.74,-40.84,;-6.74,-42.38,;-8.07,-40.08,;-9.4,-40.85,;-8.07,-38.54,;-6.74,-37.76,;-6.74,-36.22,;-5.41,-38.54,;-.23,-36.52,;1.1,-37.29,;2.43,-36.52,;2.42,-34.97,;3.75,-34.19,;1.08,-34.21,;-.25,-34.99,;-1.59,-34.24,)|
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(O)cc1
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cccc(O)c1
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cccc(O)c1C |(34.18,-29.88,;34.18,-28.34,;35.52,-27.58,;36.84,-28.34,;38.17,-27.58,;38.17,-26.03,;36.84,-25.27,;35.52,-26.04,;34.19,-25.27,;34.2,-23.73,;32.73,-23.25,;31.82,-24.49,;32.72,-25.74,;31.82,-26.99,;30.35,-26.51,;29.03,-27.27,;29.02,-28.81,;27.7,-26.51,;26.36,-27.28,;27.7,-24.97,;29.03,-24.19,;29.03,-22.65,;30.35,-24.97,;35.53,-22.95,;36.87,-23.72,;38.19,-22.94,;38.19,-21.4,;36.84,-20.64,;36.82,-19.1,;35.52,-21.42,;34.18,-20.66,)|
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1O
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(O)ccc1O |(34.54,-42.18,;34.55,-40.64,;35.88,-39.87,;37.21,-40.64,;38.54,-39.87,;38.53,-38.33,;37.21,-37.57,;35.89,-38.34,;34.56,-37.57,;34.57,-36.03,;33.1,-35.54,;32.19,-36.79,;33.09,-38.04,;32.19,-39.28,;30.72,-38.81,;29.39,-39.57,;29.39,-41.11,;28.06,-38.8,;26.73,-39.58,;28.06,-37.26,;29.39,-36.49,;29.39,-34.95,;30.72,-37.26,;35.89,-35.25,;37.23,-36.02,;38.56,-35.24,;39.9,-36,;38.55,-33.7,;37.2,-32.94,;35.88,-33.72,;34.54,-32.96,)|
COc1ccccc1-n1c(cn2c1nc1[nH]c(=O)[nH]c(=O)c21)-c1ccc(F)cc1 |(17.88,-16.29,;17.89,-14.75,;19.22,-13.98,;20.55,-14.75,;21.88,-13.98,;21.87,-12.44,;20.55,-11.68,;19.23,-12.44,;17.9,-11.68,;17.91,-10.13,;16.44,-9.65,;15.53,-10.89,;16.43,-12.15,;15.53,-13.39,;14.06,-12.91,;12.73,-13.67,;11.4,-12.91,;10.07,-13.68,;11.4,-11.37,;12.73,-10.59,;12.73,-9.05,;14.06,-11.37,;19.23,-9.36,;20.57,-10.12,;21.9,-9.35,;21.89,-7.81,;23.22,-7.03,;20.54,-7.04,;19.22,-7.83,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(cc1)[N+]([O-])=O |(-.07,-54.79,;-.07,-53.25,;1.26,-52.48,;2.59,-53.25,;3.92,-52.48,;3.92,-50.94,;2.59,-50.18,;1.27,-50.94,;-.06,-50.18,;-.05,-48.63,;-1.52,-48.15,;-2.43,-49.39,;-1.53,-50.65,;-2.43,-51.89,;-3.9,-51.41,;-5.23,-52.17,;-5.23,-53.71,;-6.56,-51.41,;-7.89,-52.18,;-6.56,-49.87,;-5.23,-49.09,;-5.23,-47.55,;-3.9,-49.87,;1.28,-47.86,;2.61,-48.62,;3.94,-47.85,;3.93,-46.31,;2.59,-45.54,;1.26,-46.33,;5.26,-45.53,;6.6,-46.27,;5.24,-43.98,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(cc1)C#N |(17.13,-53.95,;17.13,-52.41,;18.47,-51.64,;19.79,-52.41,;21.13,-51.64,;21.12,-50.1,;19.79,-49.34,;18.47,-50.1,;17.14,-49.34,;17.15,-47.79,;15.69,-47.31,;14.77,-48.55,;15.67,-49.81,;14.77,-51.05,;13.31,-50.57,;11.98,-51.33,;11.98,-52.87,;10.65,-50.57,;9.32,-51.34,;10.65,-49.03,;11.98,-48.25,;11.98,-46.71,;13.31,-49.03,;18.48,-47.02,;19.82,-47.78,;21.15,-47.01,;21.14,-45.47,;19.79,-44.7,;18.47,-45.49,;22.46,-44.69,;23.79,-43.91,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(cc1)C(O)=O |(34.47,-52.86,;34.47,-51.32,;35.8,-50.55,;37.13,-51.32,;38.46,-50.55,;38.46,-49.01,;37.13,-48.25,;35.81,-49.02,;34.48,-48.25,;34.49,-46.71,;33.02,-46.22,;32.11,-47.47,;33.01,-48.72,;32.11,-49.96,;30.64,-49.48,;29.31,-50.24,;29.31,-51.78,;27.98,-49.48,;26.65,-50.25,;27.98,-47.94,;29.31,-47.16,;29.31,-45.62,;30.64,-47.94,;35.82,-45.93,;37.15,-46.7,;38.48,-45.92,;38.47,-44.38,;37.13,-43.62,;35.8,-44.4,;39.8,-43.6,;41.14,-44.36,;39.79,-42.06,)|
COc1ccccc1-n1c(cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21)-c1ccccc1 |(33.73,-2.65,;33.73,-1.11,;35.07,-.34,;36.4,-1.11,;37.73,-.34,;37.72,1.21,;36.39,1.96,;35.07,1.2,;33.74,1.97,;33.75,3.51,;32.29,3.99,;31.37,2.75,;32.27,1.5,;31.37,.25,;29.91,.73,;28.58,-.03,;28.57,-1.57,;27.24,-2.34,;25.92,-1.57,;24.58,-2.33,;24.58,-3.88,;25.92,-4.65,;27.25,-3.87,;27.25,.73,;25.91,-.04,;27.25,2.27,;28.58,3.05,;28.58,4.59,;29.91,2.27,;35.08,4.29,;36.42,3.52,;37.75,4.3,;37.74,5.84,;36.39,6.6,;35.07,5.82,)|
COc1ccccc1-n1c(cn2c1nc1n(Cc3ccccc3)c(=O)[nH]c(=O)c21)-c1ccc(F)cc1 |(.93,-16.47,;.93,-14.93,;2.27,-14.16,;3.59,-14.93,;4.92,-14.16,;4.92,-12.62,;3.59,-11.86,;2.27,-12.62,;.94,-11.86,;.95,-10.31,;-.52,-9.83,;-1.43,-11.07,;-.53,-12.33,;-1.43,-13.57,;-2.9,-13.09,;-4.22,-13.85,;-4.23,-15.39,;-5.56,-16.16,;-6.88,-15.39,;-8.22,-16.16,;-8.22,-17.7,;-6.88,-18.47,;-5.55,-17.69,;-5.55,-13.09,;-6.89,-13.86,;-5.55,-11.55,;-4.22,-10.77,;-4.22,-9.23,;-2.9,-11.55,;2.28,-9.54,;3.62,-10.3,;4.94,-9.53,;4.94,-7.98,;6.26,-7.21,;3.59,-7.22,;2.27,-8,)|
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1OC
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(OC)cc1
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cccc(C)c1 |(41.93,-45.89,;41.93,-44.35,;43.27,-43.58,;44.59,-44.34,;45.92,-43.58,;45.92,-42.04,;44.59,-41.28,;43.27,-42.04,;41.94,-41.28,;41.95,-39.73,;40.48,-39.25,;39.57,-40.49,;40.47,-41.75,;39.57,-42.99,;38.1,-42.51,;36.78,-43.27,;36.77,-44.81,;35.45,-42.51,;34.11,-43.28,;35.45,-40.97,;36.78,-40.19,;36.78,-38.65,;38.1,-40.97,;43.28,-38.95,;44.62,-39.72,;45.94,-38.95,;45.94,-37.4,;44.59,-36.64,;44.57,-35.1,;43.27,-37.42,)|
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc2OCOc2c1 |(11.46,-11.69,;11.42,-10.15,;12.74,-9.35,;14.09,-10.09,;15.4,-9.29,;15.37,-7.75,;14.02,-7.01,;12.7,-7.81,;11.29,-7.19,;11.28,-5.65,;9.82,-5.18,;8.92,-6.43,;9.83,-7.67,;8.93,-8.92,;7.46,-8.45,;6.13,-9.23,;6.14,-10.77,;4.8,-8.47,;3.47,-9.24,;4.79,-6.93,;6.12,-6.15,;6.11,-4.61,;7.46,-6.91,;12.61,-4.87,;13.95,-5.63,;15.28,-4.86,;15.27,-3.32,;16.41,-2.28,;15.77,-.88,;14.24,-1.05,;13.93,-2.56,;12.6,-3.33,)|
COc1ccc(Br)cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
COc1ccc(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCC3CCNCC3)n2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3cccnc3)n2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccccc3)n2)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
CNc1nc(cn2ccnc12)-c1cccc(NC(=O)Nc2cc(Cl)ccc2OC)c1
COc1ccc(Cl)cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(N)n1
FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(CNC(=O)c2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(NC(=O)NCc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
FC(F)(F)c1cccc(CNC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(CC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
Clc1cc(Cl)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1Cl
CCOc1cc(OCC)c(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
COc1cc(OC)c(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
COc1cc(OC)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1Br
COc1cc(OC)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1Cl
FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)ccc1Cl
Fc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1C(F)(F)F
Cc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1C(F)(F)F
COc1ccc(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C#N
COc1ccc(C)cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
Cc1ccc(Cl)cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
Clc1ccc(Oc2ccccc2)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
COc1ccc(Cl)cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
Clc1cccc(Cl)c1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
Clc1cc(Cl)cc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Clc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1Cl
Clc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c(Cl)c1
Clc1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1Cl
Oc1ccc(cc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1)C(F)(F)F
Clc1ccc(Cl)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Cc1ccc(C)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
FC(F)(F)c1ccc(Cl)c(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Cc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1
Clc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1
Fc1ccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)cc1
O=C(Nc1cccc(Oc2ccccc2)c1)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
O=C(Nc1cccc(c1)C#N)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
CSc1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
COc1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Cc1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Brc1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Clc1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCc3ccncc3)n2)c1
Brc1ccccc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
Clc1ccccc1NC(=O)Nc1cccc(c1)-c1cn2ccnc2c(NCc2ccncc2)n1
CN(Cc1ccncc1)c1nc(cn2ccnc12)-c1cccc(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(OCc3ccncc3)n2)c1
OC(=O)c1ccc(CNc2nc(cn3ccnc23)-c2cccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2)cc1
FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCCc3ccncc3)n2)c1
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
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
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|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
CNc1nccc(n1)-c1cccnc1Oc1ccc(Nc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4OCOc34)n2)c1
CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4ccoc34)n2)c1
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ccoc34)n2)c1
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc34)n2)c1
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc34)n2)c1
CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c(Cl)c[nH]c34)n2)c1
CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CC#N)c2c3OCOc3ccc2Cl)c1
COCCN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CCO)c2c3OCOc3ccc2Cl)c1
C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc(c1)N1CCOCC1
C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4cn[nH]c34)n2)cc(c1)N1CCOCC1
C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ccc34)n2)cc(c1)N1CCOCC1
C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)cc(c1)N1CCOCC1
CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1cccc2[nH]ncc12
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
OCc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
CN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
CN(C)C(=O)c1cccc(Nc2nccc(n2)N(C)c2cccc3[nH]ncc23)c1
CS(=O)(=O)Nc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
CN(c1ccnc(Nc2cccc(NS(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12
Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
CN(c1ccnc(Nc2cc(nc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
CN(c1ccnc(Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
CN(c1ccnc(Nc2nc(cc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
COc1cc(O)c2c(CCC[C@H](O)CC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:17.17|
COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
COc1cc(O)c2c(CCCC(=O)C(=O)C(O)CCC[C@H](C)OC2=O)c1 |r|
CN(c1ccnc(Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(nc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO
COCCN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CC(C)N(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CCN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
Cc1ccc(cc1N(C)c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)CO
COc1cc(Nc2nccc(n2)N(C)c2cc(CO)ccc2C)cc(c1)N1CCOCC1
COCCOc1cc(Nc2nccc(n2)N(C)c2cc(CO)ccc2C)cc(c1)N1CCOCC1
CN(c1ccnc(Nc2cc(OC3CCOCC3)cc(c2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(cc(c2)C(=O)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(CN3CCOCC3)cc(c2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(cc(c2)N2CCN(O)CC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(cc(c2)N2CCN(C)CC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(cc(c2)N2CCCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCCCC2)n1)c1cc(CO)ccc1C
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCCC2)n1)c1cc(CO)ccc1C
COc1cncc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
COc1cccc(n1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
COc1ccnc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CC(O)c1ccc(C)c(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1ccc(Cl)c(CO)c1)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(CO)ccc1C
COc1cc(CO)cc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1cccc(CO)c1)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
COc1ccc(C)c(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cc(C)ccc1C
COc1cccc(c1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1cccc(Cl)c1)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1cccc(C)c1)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1ccccc1C
CN(c1ccccc1)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
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
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
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
CC(C)n1c2CCCC(=O)c2c2C(=O)c3ccccc3-c12
c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
CC1(C)Cc2c(CO1)sc(NC(=O)Nc1ccccc1)c2C(N)=O
Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
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
Cc1cn2c(cnc2c(Nc2cc(CN3CCC(F)(F)C3)ns2)n1)-c1cn[nH]c1
CC[N@](Cc1cc(sn1)Nc2c3ncc(n3cc(n2)C)c4c[nH]nc4)C(C)(C)CO
Cc1ccc(cc1N2c3c(c(ncn3)N)C4=C(C2=O)CCCC4)O
Cc1ccccc1-n1c2ncnc(N)c2c2CCCCc2c1=O |(-4.18,5.32,;-2.85,4.55,;-1.51,5.32,;-.17,4.55,;-.18,3,;-1.51,2.24,;-2.85,3.02,;-4.18,2.25,;-5.52,3.02,;-5.52,4.55,;-6.84,5.31,;-8.17,4.54,;-8.16,3.02,;-9.5,2.25,;-6.85,2.26,;-6.85,.73,;-8.18,-.05,;-8.18,-1.59,;-6.85,-2.35,;-5.52,-1.59,;-5.53,-.05,;-4.19,.71,;-2.86,-.07,)|
COc1cccc(c1)-n1c2ncnc(N)c2c2CC(C)(C)OCc2c1=O
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3nc4ccc(OC)cc4[nH]3)c3ccccc3)c2c1 |w:17.18|
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
C[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C
CCCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
CCCCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1C
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccc(F)cc1C
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1Cl
COc1ccccc1-n1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1Cl |(36.42,-49.25,;36.42,-47.71,;37.75,-46.94,;39.09,-47.71,;40.42,-46.94,;40.41,-45.39,;39.08,-44.63,;37.75,-45.4,;36.42,-44.63,;36.43,-43.09,;34.96,-42.61,;34.05,-43.85,;34.95,-45.1,;34.05,-46.35,;32.58,-45.87,;31.25,-46.63,;31.25,-48.17,;29.92,-45.87,;28.59,-46.64,;29.92,-44.33,;31.25,-43.55,;31.25,-42.01,;32.58,-44.33,;37.2,-41.76,;38.74,-41.76,;39.52,-40.43,;38.75,-39.1,;37.2,-39.1,;36.43,-40.43,;34.9,-40.43,)|
CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1cc(ccc1C)-c1cccc2[nH]ncc12
CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O
Cc1ccc(cc1C)-c1csc(NC(=O)CCCC(O)=O)c1C(N)=O
Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
COc1cc(cc(OC)c1OC)-c1nc(c[nH]c1=O)-c1c[nH]c2ccccc12
Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(9.45,-34.75,;10.95,-35.07,;11.43,-36.54,;12.94,-36.86,;13.97,-35.71,;15.47,-36.03,;13.49,-34.25,;11.98,-33.93,;11.51,-32.46,;12.41,-31.22,;13.95,-31.22,;11.51,-29.97,;11.98,-28.51,;13.47,-28.11,;10.95,-27.36,;10.04,-30.45,;8.71,-29.68,;7.38,-30.45,;6.04,-29.68,;4.71,-30.45,;4.71,-31.99,;6.04,-32.76,;7.38,-31.99,;8.71,-32.76,;10.04,-31.99,)|
NC(=O)c1c(N)n(-c2ccc(NC(=S)Nc3cccc(c3)C(F)(F)F)cc2)c2nc3ccccc3nc12
Cc1ccccc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(9.69,-38.66,;11.2,-38.98,;11.68,-40.44,;13.18,-40.76,;14.22,-39.62,;13.73,-38.16,;12.23,-37.83,;11.75,-36.37,;12.66,-35.13,;14.2,-35.13,;11.75,-33.88,;12.23,-32.41,;11.2,-31.27,;13.72,-32.02,;10.29,-34.35,;8.95,-33.59,;7.62,-34.35,;6.29,-33.59,;4.96,-34.35,;4.96,-35.89,;6.29,-36.67,;7.62,-35.89,;8.95,-36.67,;10.29,-35.89,)|
Cc1cccc(C)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(14.14,-36.13,;13.11,-37.27,;13.59,-38.74,;12.55,-39.88,;11.05,-39.56,;10.57,-38.1,;9.07,-37.78,;11.6,-36.95,;11.13,-35.49,;12.03,-34.25,;13.57,-34.25,;11.13,-33,;11.6,-31.53,;13.09,-31.13,;10.57,-30.39,;9.66,-33.47,;8.33,-32.7,;6.99,-33.47,;5.66,-32.7,;4.33,-33.47,;4.33,-35.01,;5.66,-35.79,;6.99,-35.01,;8.33,-35.79,;9.66,-35.01,)|
Cc1cccc(Cl)c1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(9.46,-36.08,;10.96,-36.4,;11.44,-37.87,;12.95,-38.19,;13.98,-37.04,;13.5,-35.58,;14.53,-34.43,;11.99,-35.26,;11.52,-33.79,;12.42,-32.55,;13.96,-32.55,;11.52,-31.3,;11.99,-29.84,;13.48,-29.44,;10.96,-28.69,;10.05,-31.78,;8.72,-31.01,;7.39,-31.78,;6.05,-31.01,;4.72,-31.78,;4.72,-33.32,;6.05,-34.09,;7.39,-33.32,;8.72,-34.09,;10.05,-33.32,)|
COc1ccc(C)c(c1)-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(11.88,-35.21,;11.41,-33.74,;9.9,-33.43,;8.86,-34.57,;7.36,-34.25,;6.88,-32.78,;5.37,-32.46,;7.91,-31.64,;9.42,-31.96,;7.44,-30.18,;8.34,-28.94,;9.88,-28.94,;7.44,-27.68,;7.91,-26.22,;9.4,-25.82,;6.88,-25.07,;5.97,-28.16,;4.64,-27.39,;3.3,-28.16,;1.97,-27.39,;.64,-28.16,;.64,-29.7,;1.97,-30.48,;3.3,-29.7,;4.64,-30.48,;5.97,-29.7,)|
Cc1ccc(CO)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(17.1,-32.34,;18.6,-32.66,;19.08,-34.12,;20.58,-34.45,;21.62,-33.3,;23.13,-33.62,;23.61,-35.08,;21.14,-31.84,;19.63,-31.52,;19.16,-30.05,;20.06,-28.81,;21.6,-28.81,;19.16,-27.56,;19.63,-26.09,;21.12,-25.7,;18.6,-24.95,;17.69,-28.04,;16.36,-27.27,;15.02,-28.04,;13.69,-27.27,;12.36,-28.04,;12.36,-29.58,;13.69,-30.35,;15.02,-29.58,;16.36,-30.35,;17.69,-29.58,)|
NC(=O)c1c(N)n(-c2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)c2nc3ccccc3nc12
Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(4.06,-42.16,;5.56,-42.48,;6.04,-43.95,;7.55,-44.27,;8.58,-43.13,;10.08,-43.45,;10.56,-44.91,;9.53,-46.05,;12.06,-45.23,;13.08,-44.09,;14.59,-44.4,;15.07,-45.87,;14.04,-47.02,;12.53,-46.7,;14.51,-48.48,;13.48,-49.63,;16.02,-48.8,;15.28,-49.81,;8.1,-41.66,;6.59,-41.34,;6.12,-39.88,;7.02,-38.63,;8.56,-38.63,;6.12,-37.38,;6.59,-35.92,;8.08,-35.52,;5.56,-34.77,;4.65,-37.86,;3.32,-37.09,;1.99,-37.86,;.65,-37.09,;-.69,-37.86,;-.69,-39.4,;.65,-40.17,;1.99,-39.4,;3.32,-40.17,;4.65,-39.4,)|
NC(=O)c1c(N)n(-c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2F)c2nc3ccccc3nc12 |(24.7,-37.03,;23.21,-37.43,;22.18,-36.28,;22.74,-38.89,;23.64,-40.14,;25.18,-40.14,;22.74,-41.38,;23.21,-42.85,;24.72,-43.17,;25.2,-44.63,;26.7,-44.95,;27.18,-46.42,;26.15,-47.56,;28.69,-46.74,;29.71,-45.6,;31.21,-45.91,;31.69,-47.38,;30.66,-48.53,;29.16,-48.21,;31.14,-49.99,;30.1,-51.13,;32.64,-50.31,;31.9,-51.32,;24.17,-45.78,;22.66,-45.46,;22.18,-43.99,;20.68,-43.67,;21.27,-40.91,;19.94,-41.68,;18.61,-40.91,;17.27,-41.68,;15.94,-40.91,;15.94,-39.37,;17.27,-38.6,;18.61,-39.37,;19.94,-38.6,;21.27,-39.37,)|
Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(C)c(c1)-n1c(N)c(C(N)=O)c2nc3ccccc3nc12 |(12.67,-33.82,;12.52,-35.36,;11.19,-36.13,;11.51,-37.64,;13.04,-37.79,;13.66,-36.38,;10.49,-38.79,;8.99,-38.47,;7.97,-39.61,;8.44,-41.08,;9.94,-41.4,;10.97,-40.26,;10.42,-42.87,;9.38,-44.01,;11.92,-43.19,;11.18,-44.19,;6.46,-39.29,;5.43,-40.44,;5.98,-37.83,;4.48,-37.51,;3.45,-38.65,;1.94,-38.33,;1.46,-36.87,;-.05,-36.55,;2.49,-35.72,;4,-36.04,;2.02,-34.26,;2.92,-33.01,;4.46,-33.01,;2.02,-31.77,;2.49,-30.3,;3.98,-29.91,;1.46,-29.16,;.55,-32.24,;-.79,-31.47,;-2.12,-32.24,;-3.46,-31.47,;-4.79,-32.24,;-4.79,-33.78,;-3.46,-34.55,;-2.12,-33.78,;-.79,-34.55,;.55,-33.78,)|
NC(=O)c1c(N)n(-c2cccc(c2)C(=O)Nc2cccc(c2)C(F)(F)F)c2nc3ccccc3nc12
Cc1ccc(cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc12)C(=O)Nc1cccc(c1)C(F)(F)F |(1.14,-21.09,;2.65,-21.41,;3.12,-22.87,;4.63,-23.19,;5.66,-22.05,;5.18,-20.58,;3.68,-20.26,;3.2,-18.8,;4.11,-17.55,;5.65,-17.55,;3.2,-16.31,;3.68,-14.84,;5.16,-14.44,;2.65,-13.7,;1.74,-16.78,;.4,-16.01,;-.94,-16.78,;-2.28,-16.01,;-3.6,-16.78,;-3.6,-18.32,;-2.28,-19.09,;-.94,-18.32,;.4,-19.09,;1.74,-18.32,;7.17,-22.37,;8.2,-21.22,;7.64,-23.83,;9.15,-24.15,;10.17,-23.01,;11.67,-23.32,;12.15,-24.79,;11.12,-25.94,;9.62,-25.62,;11.6,-27.4,;10.57,-28.55,;13.1,-27.72,;11.99,-28.89,)|
NC(=O)c1c(N)n(-c2cc(ccc2F)C(=O)Nc2cccc(c2)C(F)(F)F)c2nc3ccccc3nc12 |(23.12,-14.22,;21.64,-14.62,;20.61,-13.47,;21.16,-16.08,;22.06,-17.33,;23.6,-17.33,;21.16,-18.57,;21.64,-20.04,;23.14,-20.36,;23.62,-21.82,;22.59,-22.97,;21.08,-22.65,;20.61,-21.18,;19.1,-20.86,;25.12,-22.14,;26.15,-21,;25.6,-23.61,;27.11,-23.93,;28.13,-22.78,;29.63,-23.1,;30.11,-24.57,;29.08,-25.71,;27.58,-25.39,;29.56,-27.18,;28.53,-28.32,;31.06,-27.5,;29.95,-28.66,;19.7,-18.1,;18.36,-18.87,;17.03,-18.1,;15.69,-18.87,;14.36,-18.1,;14.36,-16.56,;15.69,-15.79,;17.03,-16.56,;18.36,-15.79,;19.7,-16.56,)|
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)-n2c(N)c(C(N)=O)c3nc4ccccc4nc23)cc(c1)C(F)(F)F |(16.38,-35.15,;16.23,-36.68,;14.9,-37.45,;15.22,-38.96,;16.75,-39.11,;17.37,-37.7,;14.2,-40.11,;12.7,-39.79,;11.68,-40.94,;10.17,-40.62,;9.69,-39.15,;10.72,-38.01,;8.19,-38.83,;7.16,-39.98,;5.65,-39.66,;5.17,-38.19,;3.67,-37.87,;6.2,-37.05,;7.71,-37.37,;5.73,-35.58,;6.63,-34.34,;8.17,-34.34,;5.73,-33.09,;6.2,-31.63,;7.69,-31.23,;5.17,-30.48,;4.26,-33.57,;2.93,-32.8,;1.6,-33.57,;.26,-32.8,;-1.08,-33.57,;-1.08,-35.11,;.26,-35.88,;1.6,-35.11,;2.93,-35.88,;4.26,-35.11,;12.15,-42.4,;13.65,-42.72,;14.68,-41.58,;14.13,-44.19,;13.09,-45.33,;15.63,-44.51,;14.52,-45.67,)|
NC(=O)c1c(N)n(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2nc3ccccc3nc12
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,t:9|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
[H][C@]1(CN2CCC2)C[C@]([H])(C1)n1cc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12 |wD:8.9,1.0,(6.47,-15.11,;5.71,-13.78,;4.93,-15.11,;5.69,-16.44,;5.68,-17.98,;7.22,-17.99,;7.23,-16.45,;5.31,-12.3,;6.81,-11.9,;6.02,-10.55,;7.2,-13.39,;7.59,-10.56,;6.61,-9.37,;7.45,-8.07,;7.04,-6.58,;5.56,-6.19,;5.15,-4.71,;6.24,-3.6,;7.73,-3.99,;8.81,-2.89,;10.15,-3.66,;11.48,-2.89,;12.81,-3.66,;14.12,-2.9,;14.13,-1.36,;12.8,-.59,;11.48,-1.36,;8.13,-5.47,;8.94,-8.47,;10.35,-7.7,;10.34,-6.15,;11.69,-8.46,;11.69,-10.01,;10.35,-10.79,;9.02,-10.01,)|
Nc1ncnc2n(cc(-c3cccc(OC[C@@H]4CCCO4)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:23.26,16.15,25.29,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
Nc1ncnc2n(cc(-c3cccc(O)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:17.19,19.22,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.56,;1.86,5.34,;1.1,6.31,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cccc(OC[C@@H]3CCCO3)c2F)c2c(N)ncnc12 |r,wD:11.14,23.24,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;3.38,5.55,;1.86,5.34,;.91,6.55,;1.49,7.98,;.54,9.2,;-.98,9.12,;-1.51,10.57,;-.3,11.52,;.98,10.66,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2cc(OC[C@@H]3CCCO3)ccc2F)c2c(N)ncnc12 |r,wU:21.22,wD:11.14,9.9,(4.28,-11.46,;5,-10.46,;6.22,-10.59,;4.36,-9.06,;2.83,-8.9,;2.2,-7.5,;3.1,-6.26,;4.64,-6.41,;5.27,-7.81,;2.74,-4.76,;3.54,-3.45,;2.24,-2.7,;1.42,-3.96,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;-1.03,1.55,;-1.03,2.79,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)|
CC1(C)CC[C@@H](COc2cccc(c2)-c2cn([C@@H]3C[C@H](CN4CCC4)C3)c3ncnc(N)c23)O1 |r,wU:5.5,wD:17.17,19.20,(-1.8,11.77,;-1.51,10.57,;-2.39,9.7,;-.3,11.52,;.98,10.66,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.56,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;5.27,-8.02,;6.62,-7.28,;5.88,-5.93,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;-.98,9.12,)|
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)cc4Cl)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)c(F)c4)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(cc(c4)C(F)(F)F)C(F)(F)F)cc3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc5OCOc5c4)cc3)c12
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)c3)c12
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)ccc4OC(F)(F)F)c3)c12
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(Br)cc(c4)C(F)(F)F)cc3)c12
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)cc4Cl)c3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)ccc2OC(F)(F)F)cc1
Nc1n[nH]c2cccc(-c3cccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Cl)c(Cl)c4)c3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(Br)cc(c2)C(F)(F)F)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(Br)cc4OC(F)(F)F)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2cc(OC(F)(F)F)ccc2Br)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(F)c(F)c2)cc1
Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(OC(F)(F)F)cc4Br)cc3)c12
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2Br)cc1
Nc1ncc2ccc(cc2n1)-c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1