472 SMILES Strings for Calmodulin-domain protein kinase 1
Compound Name
SMILES String
CC(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CC(=O)N1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CC(C)(C)C(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)(C)Cn1c(N)nc2ccc(cc12)C(=O)c1ccccc1
CC(C)(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
CC(C)(C)n1cc(C(N)=O)c(n1)-c1ccc2c(N)n[nH]c2c1
CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCC3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)C3CCCCC3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)CCl)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)Cc3ccccc3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(Cc2cc(F)cc(F)c2)c2c(N)ncnc12
CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc12
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc12
CC(C)(C)n1nc(Oc2cc(F)cc(F)c2)c2c(N)ncnc12
CC(C)(C)n1nc(Oc2cccc(Br)c2)c2c(N)ncnc12
CC(C)(C)n1nc(Oc2cccc(Cl)c2)c2c(N)ncnc12
CC(C)(C)n1nc(Oc2cccc(c2)C(F)(F)F)c2c(N)ncnc12
CC(C)(C)n1nc(Sc2cccc(Cl)c2)c2c(N)ncnc12
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2c(N)n[nH]c2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2cc(O)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2n1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2ncccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1ccc2oc(=O)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(Cl)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(F)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC(F)(F)F)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(OCC3CC3)ccc2c1
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2cc(ccc2c1)C(F)(F)F
CC(C)(C)n1nc(c(C(N)=O)c1N)-c1cnc2ccccc2c1
CC(C)(CO)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(CO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(CO)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12
CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
CC(C)(CO)Cn1nc(c(C(N)=O)c1N)-c1cnc2cc(OC3CCC3)ccc2c1
CC(C)(COCCO)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12)C(O)=O
CC(C)(F)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)C(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1cc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1cc(-c2ccc3cc(OC4CC4)ccc3c2)c2cnccc12
CC(C)(O)Cn1cc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1nc(-c2ccc3cc(OCC#N)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)(O)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12
CC(C)C(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)CC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CC(C)CN1NC(=C2N(N)C=NC=C12)c1ccc2cc(OC3CC3)ccc2c1 |c:10,t:6,12|
CC(C)COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CC(C)COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)Cn1c(N)nc2ccc(cc12)C(=O)c1ccccc1
CC(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)Cn1nc(-c2ccc3cc(OC4COC4)ccc3c2)c2c(N)ncnc12
CC(C)Cn1nc(-c2ccc3cc(OCC(C)(C)O)ccc3c2)c2c(N)ncnc12
CC(C)Cn1nc(-c2ccc3cc(OCCO)ccc3c2)c2c(N)ncnc12
CC(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CC(C)Cn1nc(-c2ccc3nc(OCC(F)(F)F)ccc3c2)c2c(N)ncnc12
CC(C)Cn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)Oc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)Oc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CC(C)Oc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CC(C)c1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)c1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12
CC(C)c1nc(-c2ccc3ccccc3c2)c2c(N)nccn12
CC(C)c1nc(-c2cnc3ccccc3c2)c2c(N)nccn12
CC(C)n1nc(-c2cc3c(C)cccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2cc3ccccc3[nH]2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(C)c(C)c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(C)cc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc(F)c(C)c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3OCCCc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3OCCOc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3OCOc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3c(c2)sc2ccccc32)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OC(C)c4ccccc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OC4COC4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCC(C)(C)O)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCC=C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCCO)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(C)ccc4C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(F)cc(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cc(ccc4C)C(F)(F)F)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(CC(F)(F)F)c(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccc(cc4)C(C)(C)C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4cccc(Cl)c4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccccc4Cl)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3cc(OCc4ccncc4)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2ccc3n(C)ccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(C)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(Cc3ccccc3)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(OCc3ccccc3Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(c2)-c2ccccc2)c2c(N)ncnc12
CC(C)n1nc(-c2cccc(c2)C(C)=O)c2c(N)ncnc12
CC(C)n1nc(-c2cccc3c4ccccc4sc23)c2c(N)ncnc12
CC(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
CC(C)n1nc(-c2cccnc2)c2c(N)ncnc12
CC(C)n1nc(-c2ccnc(Cl)c2)c2c(N)ncnc12
CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
CC(C)n1nc(-c2cncnc2)c2c(N)ncnc12
CC(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc12
CC(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CC(C)n1nc(c(C(N)=O)c1N)-c1ccc2nc(OC3CCC3)ccc2c1
CC1(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
CC1(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)COC1
CCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCCC(=O)Nc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCCN1CCC(CC1)n1nc(-c2ccc3cc(OCC)ccc3c2)c2c(N)ncnc12
CCCN1CCC(CCn2nc(-c3ccc4cc(OCC)ccc4c3)c3c(N)ncnc23)CC1
CCCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCN1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CCN1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CCN1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CCOc1ccc2cc(ccc2c1)-c1nc(C(C)C)n2ccnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nc(CC2CCN(C)CC2)n2ccnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nc(CC2CCNCC2)n2ccnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(C2CCN(CCCN)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC(=O)N2CCOCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)CO)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)(C)O)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(C)COC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(CCN(C)CC2)C#N)c2ncncc12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(CCNCC2)C#N)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CN(C)C2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2(O)CNC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)=O)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(CC2)C(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C)C2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CN(C2)C(C)=O)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CC2CNC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(CC)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCN(CCCN)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(CCC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(c2ncnc(N)c12)C(C)(C)C
CCOc1ccc2cc(ccc2c1)-c1nn(cc1C(N)=O)C(C)(C)C
CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C(C)(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C(C)C)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(C2CCOC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)CO)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)O)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2(CCN(C)CC2)C#N)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2(CCNCC2)C#N)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2(O)CNC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CC2)c(N)c1C(N)=O
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
CCOc1ccc2cc(ccc2n1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(cnc2c1)-c1n[nH]c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C(C)C)C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)C2CC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CCO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C(CO)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCOC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(C2CCOCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)CO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)(C)O)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(C)C)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC(F)(F)F)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC2CC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CC2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CCO)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(CCOC)c(N)c1C(=O)NCCOC
CCOc1ccc2cc(cnc2c1)-c1nn(CCOC)c(N)c1C(N)=O
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C1(C)CCCCC1
CCOc1ccc2cc(cnc2c1)-c1nn2CC(=O)Nc2c1C(N)=O
CCOc1ccc2ccc(cc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
CCOc1ccc2ccc(cc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CCOc1ccc2nc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCOc1ccc2ncc(cc2c1)-c1nn(C2CCCCC2)c(N)c1C(N)=O
CCOc1ccc2ncc(cc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
CCn1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CN(C)CC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
CN(C)c1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CN(C)c1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
CN1CC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1
CN1CC(O)(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1
CN1CC(O)(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)C1
CN1CCC(CC1)n1nc(c(C(N)=O)c1N)-c1ccc2ccccc2c1
CN1CCC(CC2(N)N=CN=C3NNC(=C23)c2ccc3nc(OC4CC4)ccc3c2)CC1 |c:8,t:10,14|
CN1CCC(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
CN1CCC(CN2NC(=C3N(N)C=NC=C23)c2ccc3cc(OC4COC4)ccc3c2)CC1 |c:12,t:8,14|
CN1CCC(Cn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OC(F)F)ccc4c3)c3c(N)ncnc23)(CC1)C#N
CN1CCC(Cn2nc(-c3ccc4cc(OC(F)F)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3cncnc23)(CC1)C#N
CN1CCC(Cn2nc(-c3ccc4cc(OC5CCC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OC5COC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OCC#N)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OCC(C)(C)O)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OCC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4cc(OCCO)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)(CC1)C#N
CN1CCC(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(Oc3cccc(Cl)c3)c3c(N)ncnc23)CC1
CN1CCC(Cn2nc(c(C(N)=O)c2N)-c2ccc3ccccc3c2)CC1
CN1CCC(O)(Cn2nc(-c3ccc4cc(OC(F)F)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(O)(Cn2nc(-c3ccc4cc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC(O)(Cn2nc(-c3ccc4nc(OC5CC5)ccc4c3)c3c(N)ncnc23)CC1
CN1CCC[C@@H]1Cn1c(N)nc2ccc(cc12)C(=O)c1ccccc1 |r|
CN1CCC[C@H]1CCn1c(N)nc2ccc(cc12)C(=O)c1ccccc1 |r|
CN1CCN(CCCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
CN1CCN(CCn2c(N)nc3ccc(cc23)C(=O)c2ccccc2)CC1
COC(=O)C(C)(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
COC(=O)C(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
COC(=O)COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
COC(=O)COc1ccc2cc(ccc2n1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
COC(=O)Nc1nc2ccc(cc2[nH]1)C(O)c1ccccc1
COC(C)(C)Cn1nc(-c2ccc3cc(OC4CC4)ccc3c2)c2c(N)ncnc12
COC(C)(C)Cn1nc(-c2ccc3nc(OC4CC4)ccc3c2)c2c(N)ncnc12
COCCOc1ccc2cc(ccc2c1)-c1nn(CC(C)C)c2ncnc(N)c12
COCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
COCCOc1ccc2cc(ccc2n1)-c1nn(CC(C)(C)C)c2ncnc(N)c12
COCCOc1ccc2cc(ccc2n1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
COCCOc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
COCc1ccc2cc(ccc2c1)-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)c2ncnc(N)c12
COc1cc(COc2cccc(c2)-c2nn(C(C)C)c3ncnc(N)c23)cc(OC)c1
COc1cc(cc(OC)c1OC)-c1nn(C(C)C)c2ncnc(N)c12
COc1cc2ccccc2cc1-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1OC(C)C)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc(cc1OC)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2[nH]c(cc2c1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)-c1n[nH]c(N)c1C(N)=O
COc1ccc2cc(ccc2c1)-c1nc(n2ccnc(N)c12)C(C)(C)C
COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c(N)c1C(N)=O
COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
COc1ccc2cc(ccc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
COc1ccc2cc(ccc2n1)-c1nn(CC2CCOCC2)c2ncnc(N)c12
COc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
COc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1
COc1ccnc(Oc2nn(C3CC3)c3ncnc(N)c23)c1
COc1ccnc(Oc2nn(C3CCC3)c3ncnc(N)c23)c1
COc1ccnc(Oc2nn([C@@H]3C[C@H](O)C3)c3ncnc(N)c23)c1 |r,wU:11.10,13.13,(.2,-8.3,;-.83,-7.16,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;-.91,-3.09,;-1.94,-1.94,;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;;-1.39,-4.55,)|
COc1ccnc(Oc2nn([C@H]3C[C@H](F)C3)c3ncnc(N)c23)c1 |r,wU:13.13,wD:11.10,(3.79,-10.38,;2.76,-9.23,;3.23,-7.77,;4.74,-7.45,;5.22,-5.98,;4.19,-4.84,;2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;1.65,1.41,;2.35,2.78,;.98,3.48,;.5,4.94,;.28,2.11,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;4.92,-4.38,;3.59,-2.07,;2.2,-6.62,)|
CS(=O)(=O)N1CCC(CC1)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
CS(=O)(=O)N1CCC(CCn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CS(=O)(=O)N1CCC(Cn2nc(Cc3cccc4ccccc34)c3c(N)ncnc23)CC1
CSc1cccc(c1)-c1nn(C(C)C)c2ncnc(N)c12
Cc1ccc2cc(cnc2c1)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cc1cccc(Oc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Cc1cccc(Sc2nn(CC3CCNCC3)c3ncnc(N)c23)c1
Cc1ccnc(Oc2nn(C3CC3)c3ncnc(N)c23)c1
Cc1nc2cc(ccc2n1C)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cc1oc2ccccc2c1-c1nn(c(N)c1C(N)=O)C(C)(C)C |(11.39,-24.88,;11.4,-23.35,;9.87,-23.19,;9.54,-21.69,;8.22,-20.93,;8.21,-19.4,;9.54,-18.62,;10.87,-19.38,;10.87,-20.92,;12.01,-21.95,;13.52,-21.63,;13.74,-20.09,;15.26,-19.82,;15.99,-21.19,;17.52,-21.4,;14.92,-22.31,;15.19,-23.82,;14.01,-24.82,;16.64,-24.35,;15.94,-18.43,;15.07,-17.17,;17.47,-18.32,;16.69,-17.09,)|
Cn1c(N)nc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cn1c2ccc(cc2[nH]c1=O)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cn1ccc2cc(ccc12)-c1nc(n2ccnc(N)c12)C(C)(C)C
Cn1ccc2cc(ccc12)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Cn1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
Cn1nc(N)c2ccc(cc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
Cn1nc(N)c2ccc(cc12)-c1nn(cc1C(N)=O)C(C)(C)C
Cn1ncc2cc(ccc12)-c1nn(c(N)c1C(N)=O)C(C)(C)C
NC(=O)Cn1nc(Cc2cccc3ccccc23)c2c(N)ncnc12
NC(=O)c1c(N)n(CC(F)(F)F)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CC2CC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CC2CCCCC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CC2CCNCC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CCN2CCOCC2)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(CCO)nc1-c1ccc2ccccc2c1
NC(=O)c1c(N)n(nc1-c1ccc2ccccc2c1)C1CCCCC1
NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCC1
NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCCC1
NC(=O)c1c(N)n(nc1-c1ccc2nc(OC3CCC3)ccc2c1)C1CCCCC1
NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCC1
NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCCC1
NC(=O)c1c(N)n(nc1-c1cnc2cc(OC3CCC3)ccc2c1)C1CCCCC1
NC(=O)c1ccnc(Oc2nn([C@H]3C[C@H](F)C3)c3ncnc(N)c23)c1 |r,wU:14.14,wD:12.11,(-2.34,-7.48,;-.83,-7.16,;.2,-8.3,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;-.91,-3.09,;-1.94,-1.94,;-1.46,-.48,;-2.37,.77,;-1.46,2.02,;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;;-1.39,-4.55,)|
NCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
NCCC(=O)Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
NCCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
NCCCCCCC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
NCCCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 |r|
N[C@@H](Cc1cnc[nH]1)C(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 |r|
Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1CCC1CCNCC1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1CCN1CCCCC1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1CCN1CCOCC1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1CC[C@@H]1CCCN1)C(=O)c1ccccc1 |r|
Nc1nc2ccc(cc2n1CC[C@H]1CCCN1)C(=O)c1ccccc1 |r|
Nc1nc2ccc(cc2n1CCc1ccc(F)cc1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1CCc1ccccn1)C(=O)c1ccccc1
Nc1nc2ccc(cc2n1C[C@@H]1CCCN1)C(=O)c1ccccc1 |r|
Nc1nc2ccc(cc2n1C[C@H]1CCCN1)C(=O)c1ccccc1 |r|
Nc1nc2ccc(cc2n1C[C@H]1CCNC1)C(=O)c1ccccc1 |r|
Nc1ncnc2n(CC#C)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(CC(=O)N3CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC(O)(C(F)(F)F)C(F)(F)F)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC(O)(C(F)(F)F)C(F)(F)F)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(CC3)C(F)(F)F)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3(CCNCC3)C#N)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12
Nc1ncnc2n(CC3(CO)COC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(CO)COC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CCOCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CNC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3(O)CNC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3CCCCC3)nc(-c3ccc4ccccc4c3)c12
Nc1ncnc2n(CC3CCCCC3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(CC3CCCNC3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNC(=O)C3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNC3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3(F)F)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3(F)F)nc(Sc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3)cc(Sc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc(Cl)cc3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OC(F)F)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCC=C)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccc(Cl)cc5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5cccc(Cl)c5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4cc(OCc5ccccc5Cl)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4nc(OCC(F)(F)F)ccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Cc3cc(F)cc(F)c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(CC3CCNCC3)nc(Nc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Oc3ccc(F)c(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCNCC3)nc(Sc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5CCC5)ccc4c3)c12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OC5COC5)ccc4c3)c12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4cc(OCC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3CCOCC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3CCOCC3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CC3CNC3)nc(-c3ccc4nc(OC5CC5)ccc4c3)c12
Nc1ncnc2n(CC3CNC3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(CCC3CCNCC3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(Cc3c[nH]cn3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(Cc3ccccc3)nc(Cc3cccc4ccccc34)c12
Nc1ncnc2n(Cc3ccncc3)nc(Oc3cccc(Cl)c3)c12
Nc1ncnc2n(cc(Cc3cccc(F)c3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(C(O)c3ccccc3)c12)C1CC1
Nc1ncnc2n(nc(C(O)c3cccnc3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cc(F)cc(Cl)c3)c12)C1CC1
Nc1ncnc2n(nc(Cc3ccc(Cl)cc3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cccc(Br)c3)c12)[C@@H]1C[C@H](O)C1 |r,wU:18.20,20.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(Br)c3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(Cl)c3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cccc(Cl)c3)c12)C1CCC1
Nc1ncnc2n(nc(Cc3cccc(Cl)c3)c12)[C@@H]1C[C@H](F)C1 |r,wD:18.20,20.23,(4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.76,-9.23,;2.2,-6.62,;3.59,-2.07,;1.65,1.41,;.28,2.11,;.98,3.48,;.5,4.94,;2.35,2.78,)|
Nc1ncnc2n(nc(Cc3cccc(Cl)c3)c12)[C@@H]1C[C@H](O)C1 |r,wU:18.20,20.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(Cl)c3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(F)c3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cccc(F)c3)c12)[C@@H]1C[C@H](O)C1 |r,wU:18.20,20.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(F)c3)c12)[C@H]1C[C@H](F)C1 |r,wU:20.23,wD:18.20,(4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.76,-9.23,;2.2,-6.62,;3.59,-2.07,;1.65,1.41,;2.35,2.78,;.98,3.48,;.5,4.94,;.28,2.11,)|
Nc1ncnc2n(nc(Cc3cccc(F)c3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(c3)-c3ccccc3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cccc(c3)-c3ccncc3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cccc(c3)-c3cncnc3)c12)C1CC1
Nc1ncnc2n(nc(Cc3cccc(c3)C#N)c12)[C@H]1C[C@H](F)C1 |r,wU:21.24,wD:19.21,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;3.13,-3.59,;4.64,-3.27,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc(c3)C(F)(F)F)c12)[C@H]1C[C@H](O)C1 |r,wU:23.26,wD:21.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;3.13,-3.59,;4.64,-3.27,;2.81,-2.08,;3.45,-5.1,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCCC1
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCCCC1
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCNCC1
Nc1ncnc2n(nc(Cc3cccc4ccccc34)c12)C1CCOCC1
Nc1ncnc2n(nc(Cc3ccccc3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(CO)ccn3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(Cl)ccn3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(Cl)ccn3)c12)C1CCC1
Nc1ncnc2n(nc(Oc3cc(Cl)ccn3)c12)[C@@H]1C[C@H](O)C1 |r,wU:18.20,20.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;-.83,-7.16,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cc(Cl)ccn3)c12)[C@H]1C[C@H](F)C1 |r,wU:20.23,wD:18.20,(4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.76,-9.23,;4.74,-7.45,;5.22,-5.98,;4.19,-4.84,;3.59,-2.07,;1.65,1.41,;2.35,2.78,;.98,3.48,;.5,4.94,;.28,2.11,)|
Nc1ncnc2n(nc(Oc3cc(Cl)ccn3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;-.83,-7.16,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cc(O)ccn3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(OC(F)(F)F)ccn3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(ccn3)-c3ccccc3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C#N)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C#N)c12)C1CCC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CCC1
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)[C@@H]1C[C@H](O)C1 |r,wU:21.23,23.26,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;-.83,-7.16,;-1.31,-8.62,;.63,-7.63,;-2.3,-6.68,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)[C@H]1C[C@H](O)C1 |r,wU:23.26,wD:21.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;-.83,-7.16,;-1.31,-8.62,;.63,-7.63,;-2.3,-6.68,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cc(ccn3)C3CC3)c12)C1CC1
Nc1ncnc2n(nc(Oc3cccc(Cl)c3)c12)C1CC(F)C1 |(4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.76,-9.23,;2.2,-6.62,;3.59,-2.07,;1.65,1.41,;.28,2.11,;.98,3.48,;.5,4.94,;2.35,2.78,)|
Nc1ncnc2n(nc(Oc3cccc(Cl)c3)c12)C1CCC1
Nc1ncnc2n(nc(Oc3cccc(Cl)c3)c12)[C@@H]1C[C@H](O)C1 |r,wU:18.20,20.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(Cl)c3)c12)[C@H]1C[C@H](F)C1 |r,wU:20.23,wD:18.20,(4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.76,-9.23,;2.2,-6.62,;3.59,-2.07,;1.65,1.41,;2.35,2.78,;.98,3.48,;.5,4.94,;.28,2.11,)|
Nc1ncnc2n(nc(Oc3cccc(Cl)c3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(F)c3)c12)[C@@H]1C[C@H](O)C1 |r,wU:18.20,20.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(F)c3)c12)[C@H]1C[C@H](F)C1 |r,wU:20.23,wD:18.20,(4.92,-4.38,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;2.13,-2.55,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;5.22,-5.98,;4.74,-7.45,;3.23,-7.77,;2.76,-9.23,;2.2,-6.62,;3.59,-2.07,;1.65,1.41,;2.35,2.78,;.98,3.48,;.5,4.94,;.28,2.11,)|
Nc1ncnc2n(nc(Oc3cccc(F)c3)c12)[C@H]1C[C@H](O)C1 |r,wU:20.23,wD:18.20,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;3.13,-3.59,;.6,-2.76,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(c3)C#N)c12)[C@H]1C[C@H](F)C1 |r,wU:21.24,wD:19.21,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;3.13,-3.59,;4.64,-3.27,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(c3)C#N)c12)[C@H]1C[C@H](O)C1 |r,wU:21.24,wD:19.21,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;3.13,-3.59,;4.64,-3.27,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(c3)C(F)(F)F)c12)[C@@H]1C[C@H](O)C1 |r,wU:21.23,23.26,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;3.13,-3.59,;4.64,-3.27,;2.81,-2.08,;3.45,-5.1,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3cccc(c3)C(F)(F)F)c12)[C@H]1C[C@H](F)C1 |r,wU:21.23,wD:23.26,(2.53,-4.38,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-3.28,-3.19,;-4.79,-3.51,;-5.26,-4.97,;-4.23,-6.12,;-2.73,-5.8,;-4.71,-7.58,;-5.18,-9.05,;-6.17,-7.11,;-3.24,-8.06,;1.2,-2.07,;-.74,1.41,;-2.12,2.11,;-1.42,3.48,;-1.89,4.94,;-.04,2.78,)|
Nc1ncnc2n(nc(Oc3cccc(c3)C(F)(F)F)c12)[C@H]1C[C@H](O)C1 |r,wU:23.26,wD:21.23,(1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-.36,-5.69,;1.15,-5.37,;1.63,-3.91,;.6,-2.76,;3.13,-3.59,;4.64,-3.27,;2.81,-2.08,;3.45,-5.1,;;-1.94,3.48,;-1.24,4.85,;-2.61,5.55,;-3.09,7.02,;-3.31,4.18,)|
Nc1ncnc2n(nc(Oc3ccccn3)c12)C1CC1
O=C(CC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
O=C(CCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
O=C(CCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
O=C(NCCC1CCCNC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
O=C(NCCC1CCNCC1)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
O=C(Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1)[C@@H]1CCCN1 |r|
O=C(c1ccccc1)c1ccc2nc(NCCC3CCCNC3)[nH]c2c1
OCCCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
OCCNC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
OCCNc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1