| Internal ID,SMILES,log Solubility |
| Mol1,CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12,0.089905111 |
| Mol2,CCOc1cc2nn(CCC(C)(C)O)cc2cc1NC(=O)c1cccc(C(F)F)n1,0.550228353 |
| Mol4,CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O,1.657055853 |
| Mol6,CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1,1.033423755 |
| Mol9,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,0.93399 |
| Mol12,COc1ccc(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)cc1,1.751610089 |
| Mol16,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,1.818225894 |
| Mol17,N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1,1.414137362 |
| Mol18,CCCc1cc(N2CCc3c(nc(C4CC4)n3C)C2)n2ncnc2n1,1.726482697 |
| Mol21,C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,1.729974286 |
| Mol23,[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,1.229809783 |
| Mol24,C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,1.004321374 |
| Mol25,Nc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl,1.475235223 |
| Mol26,Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O,0.380211242 |
| Mol27,Cn1cc(-c2cn3nccc3c(-c3cnn([C@]4(CC#N)C[C@@H](C#N)C4)c3)n2)cn1,0.342422681 |
| Mol28,O=C(Nc1cccnc1)c1ccnc(NC(=O)C2CC2)c1,1.610127613 |
| Mol30,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,1.538196578 |
| Mol31,CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0.397940009 |
| Mol33,CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,1.810232518 |
| Mol35,C=CC(=O)N1CCC[C@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,1.75089392 |
| Mol36,CC(C)(C=C(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,1.553276046 |
| Mol37,CC#CC(=O)N1CC[C@@H](n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1,0.431363764 |
| Mol39,C[C@@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,1.548389418 |
| Mol40,COc1ccccc1-c1cc(NC(=O)c2cccc(N3CCNC3=O)c2)[nH]n1,0.774516966 |
| Mol41,Nc1ncc(-c2cccc(C(F)(F)F)c2)c(C2CCCCN2C(=O)c2ccccc2)n1,1.399673721 |
| Mol42,O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1,1.653212514 |
| Mol43,Fc1ccccc1-c1c[nH]nc1C1CCCN1Cc1ccc2ncccc2c1,1.465382851 |
| Mol44,Cc1nccc(-c2cn(Cc3ccccc3)c3cnccc23)n1,1.527333397 |
| Mol45,CCc1nc(C)cn2nc(-c3cc(=O)n4cc(C5CCN(C)CC5)cc(C)c4n3)cc12,1.247359422 |
| Mol46,Cc1c(Cl)ccc2cc3n(c12)[C@@H](C)CNC3=O,1.522444234 |
| Mol47,Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCNC1,1.601516784 |
| Mol48,Cc1nnc(CN(C)CC(C)Oc2ccc(Cl)c(Cl)c2)n1C,1.51851394 |
| Mol49,COc1nn(C)cc1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1,1.559308011 |
| Mol50,COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@@](C)(=N)=O)c2)n1,1.729974286 |
| Mol51,Cc1ncc(CN2CC[C@@H](Nc3cncc(Cl)n3)[C@@H](C)C2)s1,1.722633923 |
| Mol52,Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1,1.376576957 |
| Mol53,CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,1.780317312 |
| Mol54,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,1.614833965 |
| Mol55,CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCO2)CC1,1.924795996 |
| Mol56,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2ccc(Cl)cc2)cc1,1.761927838 |
| Mol57,CC(=O)Nc1ccc(C(=O)N2CCCCC2c2nc(N)ncc2-c2cccc(Cl)c2)cc1,1.759667845 |
| Mol58,O=C1CN(c2ccc(Nc3nccc(C(F)(F)F)n3)cn2)CCN1,1.710117365 |
| Mol59,O=C1NCCN(C(=O)c2ccc3nccn3c2)C1c1ccccc1C(F)(F)F,1.84260924 |
| Mol60,Cc1cc(F)ccc1C1C(=O)NCCN1C(=O)c1ccc2nccn2c1,1.793790385 |
| Mol61,O=C1NCCN(C(=O)c2ccncc2)C1c1ccccc1Cl,1.645422269 |
| Mol62,C[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H](C)O1,1.718667735 |
| Mol63,CN1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccccc1)c1ccccc1)C2,1.716837723 |
| Mol64,CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1,1.361727836 |
| Mol65,OC[C@H](Nc1cncc(-c2ccc3[nH]ncc3n2)c1)c1ccccc1,1.514149134 |
| Mol66,Cc1ncsc1C(=O)N1CCCCC1c1nc(N(C)C)ncc1-c1cccc(Cl)c1,1.260071388 |
| Mol67,OCC1CCCCN1Cc1ccc(Cl)c(Cl)c1,1.62324929 |
| Mol68,CC(=O)N1CCN(c2nc(C(F)(F)F)nc3sc(C)c(C)c23)CC1,1.710117365 |
| Mol69,COc1ccccc1C(=O)Nc1ccc2cc[nH]c2c1,0.69019608 |
| Mol70,c1ccc(Oc2cccc(CN(CCN3CCOCC3)Cc3cccnc3)c2)cc1,1.824125834 |
| Mol71,COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccc(F)c4)[C@H]23)cc1,1.653212514 |
| Mol72,Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3ccc(F)cc3OC(C)C)c12,1.372175286 |
| Mol73,OCC1CCCCN1Cc1ccc(-c2ccccc2)cc1,1.620136055 |
| Mol74,Nc1ncc(C(=O)NC2CN(C(=O)C3CC3)C2)c2ccc(-c3cccc(F)c3)nc12,0.880813592 |
| Mol75,CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1,1.11058971 |
| Mol76,Cc1nnc(-c2ccc3occ(-c4ccc(S(C)=O)cc4)c3c2)o1,1.651278014 |
| Mol77,Cc1ncsc1C(=O)N1CCCCC1c1nc(N)ncc1-c1cccc(C(F)(F)F)c1,1.155336037 |
| Mol78,O=C(Nc1ccc2ccccc2n1)c1ccc(N2CCOC2=O)cc1,0.45484486 |
| Mol79,O=C(CCNC(=O)c1ccc(OC(F)(F)F)cc1)N[C@@H]1CCCc2ccccc21,0.662757832 |
| Mol80,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,1.780605306 |
| Mol81,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccoc23)c1,1.456366033 |
| Mol82,CCN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1,1.409764104 |
| Mol83,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,1.673020907 |
| Mol84,CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(C(=O)Nc3c(F)cccc3Cl)cc2F)c1=O,1.82672252 |
| Mol85,CCN(C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1,0.819543936 |
| Mol86,NCCN1CCN(C/C=C/C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1,1.480006943 |
| Mol87,Cn1c(C2CC2)nc2c1CCN(c1ncnc3ccsc13)C2,1.702430536 |
| Mol88,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,0.720159303 |
| Mol89,COc1nn(C)cc1C(=O)Nc1cccc2cnccc12,1.607455023 |
| Mol90,CNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)C1,1.759667845 |
| Mol140,CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1,1.596926814 |
| Mol143,O=C1CCC(=O)N1Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1,1.630936119 |
| Mol144,O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cnc(Cl)c(Cl)c1,0.568201724 |
| Mol147,CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1,0.439332694 |
| Mol148,O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CC3)n2n1)c1cccnc1,0.041392685 |
| Mol149,COc1cc(Nc2cc(-c3cccc(C#N)c3)ccn2)ccc1N1CCN(C)CC1,1.660865478 |
| Mol153,CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F,1.729002709 |
| Mol154,C[C@@]1(c2ncncc2F)NC(=O)c2cc(-c3cn[nH]c3)ccc21,1.573741642 |
| Mol155,Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1,1.811239773 |
| Mol157,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,1.663229635 |
| Mol158,Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(CC3CC3)n2)cc1C(F)(F)F,0.484299839 |
| Mol160,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)c1,0.579783597 |
| Mol162,C=CC(=O)N(C)CCOc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,1.770115295 |
| Mol164,N#CN1CCC[C@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c(C(N)=O)c2N)C1,1.555094449 |
| Mol165,CC(=O)NCCNc1cc(Cl)nn2c(-c3cccc(S(=O)(=O)N(C)C)c3)c(C)nc12,1.660960292 |
| Mol166,Cc1c[nH]c(=O)n1-c1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,0.770852012 |
| Mol167,CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1,1.837525309 |
| Mol168,COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1,0.672097858 |
| Mol169,c1ccc(-c2ccc(CN3CCCCCCC3)cc2)cc1,0.977723605 |
| Mol170,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2Cl)CC1,1.290034611 |
| Mol173,O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)N1CCCCC1,1.766115283 |
| Mol174,Cc1ccccc1-c1nc(Cn2ccnc2C(C)C)c(C)o1,1.690284703 |
| Mol175,CCc1nc2cc(-c3c(OC)cccc3OC)ccc2o1,1.279210513 |
| Mol176,O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1,1.906873535 |
| Mol177,CCn1ncnc1-c1[nH]cnc1-c1ccccc1,1.362293938 |
| Mol178,Cc1nnc(NCCc2ccc3c(c2)OCO3)c(C#N)c1C,1.350248018 |
| Mol179,Cc1nc(N2CCn3ccnc3C2)c2cnn(C)c2n1,1.517063873 |
| Mol180,Cc1cc(CN(C)Cc2cscn2)no1,1.457124626 |
| Mol181,Cc1occc1C(=O)NCC(=O)Nc1nc2cc(Cl)ccc2n1C,1.434568904 |
| Mol182,CCNC(=O)c1ccc(CS(C)(=O)=O)cc1,1.611723308 |
| Mol183,c1ccc(-c2noc(NC3CC3)n2)cc1,1.451786436 |
| Mol184,Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)cc12,1.867644234 |
| Mol185,CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,1.89187183 |
| Mol186,O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccn1,1.69862243 |
| Mol187,COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc(C(=O)O)c3)s2)c1,1.591064607 |
| Mol188,O=C(CSc1nccn1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)O,0.385606274 |
| Mol189,CCN1CCC(CNC(=O)c2cc(C)nc3cc(F)ccc23)CC1,1.57054294 |
| Mol190,COc1ccc(CCC(=O)N2CCCNCC2)cc1,1.552668216 |
| Mol191,Cc1cc(-c2cnn(CCNC(=O)c3sc(C)nc3C)c2C2CC2)on1,1.826851948 |
| Mol192,O=C(CSc1nc2nc(O)cc(O)c2s1)c1ccc(-c2ccccc2)cc1,0.84509804 |
| Mol193,C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C)n2)CC1,1.562530769 |
| Mol194,CN(C)c1ccc2c(c1)OCCN2C(=O)NCc1cccnc1,1.682325619 |
| Mol195,O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1,1.546542663 |
| Mol196,CCCOc1ccccc1C(=O)N1CC(Oc2cccc(OC)c2)C1,1.626340367 |
| Mol197,O=C(c1ccc(-n2cccn2)nc1)N1CCN(c2ccccc2O)CC1,1.62838893 |
| Mol198,COc1ccc(CCNCc2ccc(-c3ccccc3)o2)cc1OC,1.870813424 |
| Mol199,CSCC(=O)N1CCN(C(=O)CSC)C2(CCCCC2)C1,1.703549298 |
| Mol200,CCCCNC(=O)c1cccc2ncccc12,1.467312063 |
| Mol201,COc1cccc(OCCCn2cncc2-c2cc3c(cc2C)n(C)c(=O)n3C)c1,1.743274524 |
| Mol202,Cc1ccc(C(=O)N2CCN(C(=O)NCC(=O)N3CCCC3)CC2)cc1F,1.87875152 |
| Mol203,COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(OC)c(F)c2)c1C,1.674585602 |
| Mol204,Cc1cc(OCC(=O)N(C)C2CCCCCCC2)no1,1.642068627 |
| Mol205,CC(C)CNc1nnc(SCc2ccncc2)s1,1.680788612 |
| Mol206,COc1c(C)cccc1CN1CCC(O)(c2ccc(F)cc2)CC1,1.59900924 |
| Mol207,Cc1nn(-c2ccc(C(=O)O)cc2C#Cc2ccccc2)c(C)c1C,1.666424373 |
| Mol208,Cc1cc(C)nc(Nc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc2)n1,1.823637222 |
| Mol209,CCc1nc2ccccc2n1CC(=O)N1CCNC(=O)C1,1.704150517 |
| Mol210,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(CC1CC1)C2,1.624282096 |
| Mol211,CCN(C/C=C/c1ccc(F)cc1)Cc1nc(COC)no1,1.504742636 |
| Mol212,CC(=O)Nc1ccc2nc(C)cc(O)c2c1,1.587710965 |
| Mol213,O=C(NC[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc2C1,1.075546961 |
| Mol214,CC1CCN(CCNC(=O)c2ccncc2)CC1,1.533899101 |
| Mol215,CCN1CCC(N(C)c2ncnc3c2cnn3C)CC1,1.614897216 |
| Mol216,CN(CC#N)C(=O)c1cccc(CN2CCCC2)c1,1.543074235 |
| Mol217,Cc1cc2nc(CCC(=O)N3CCC(c4ccc(C(=O)N(C)C)c(N)n4)CC3)[nH]c2cc1C,1.59835271 |
| Mol218,O=C(c1cc2ccccc2[nH]1)N1C[C@@H](O)[C@H](N2CCOCC2)C1,1.658869592 |
| Mol219,CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1,1.29666519 |
| Mol220,COc1ccc(C)cc1NC(=O)CN1CCc2ccccc2C1,1.191171456 |
| Mol221,O=C(CCOc1ccccc1)N1CCCC1,1.589949601 |
| Mol222,c1ccc(-c2n[nH]c(C3CCN(c4ccccn4)CC3)n2)cc1,1.536558443 |
| Mol223,COc1ccc(-n2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1,0.691965103 |
| Mol224,CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(OC(F)F)c1,1.671635597 |
| Mol225,COc1ccc(CN2CCC(c3nc(C(C)C)no3)CC2)c(F)c1,1.67329744 |
| Mol226,Cc1nnc(NCC(=O)N2CCc3sccc3C2)c(C#N)c1C,1.553883027 |
| Mol227,CCNC(=O)C1CN(c2cccc(C#N)n2)C1,1.632558515 |
| Mol228,O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1,1.619093331 |
| Mol229,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N(C)Cc3ccccc3)CC2)cn1,1.656098202 |
| Mol230,c1ccc(CO[C@@H]2CCC[C@H]2n2cc(-c3nccs3)nn2)cc1,1.195346058 |
| Mol231,Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1,1.80611211 |
| Mol232,NCc1cccc(C(=O)N2CCCC2)c1,1.404833717 |
| Mol233,Cc1ncsc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,1.714916248 |
| Mol234,Cc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1,1.639386869 |
| Mol235,O=C(NCc1cnn(-c2ccccc2)c1)C1CCC1,1.501196242 |
| Mol236,CNC(=O)c1ccc(N2CCCC2)nc1,1.540329475 |
| Mol237,Cc1cc(C)nc(N(C)CC(=O)NC2CC2)n1,1.542825427 |
| Mol238,Cc1cc(C(=O)Nc2cccc3ncccc23)on1,1.656768779 |
| Mol239,CN(c1ncnc2c1cnn2CCO)C1CCCCC1,1.650307523 |
| Mol240,NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,1.646893624 |
| Mol241,CN1CCN(c2ccc(NC(=O)c3ccccc3Cl)nc2)CC1,1.660486016 |
| Mol242,Cc1cc(OCc2ncc(C(C)(C)C)o2)nn1C,1.266936911 |
| Mol243,Clc1cccc(CNc2nc(C3CC3)no2)c1,1.466719372 |
| Mol244,Cc1ccc(-c2nc(NCc3ccco3)ncc2-c2cc(C)no2)cn1,1.012837225 |
| Mol245,O=C(c1ccccc1F)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,1.51851394 |
| Mol246,COc1nc(C)nc(N(C)Cc2nccs2)c1C,1.473778835 |
| Mol247,O=C(c1ccc2c(c1)OCO2)N1CCC(c2n[nH]c(C3CC3)n2)CC1,1.432006687 |
| Mol248,CN(Cc1cccc(C#N)c1)Cc1ccccc1C#N,1.467756051 |
| Mol249,CN1CCN(Cc2noc(Cc3ccccc3)n2)c2ccccc21,1.149219113 |
| Mol250,COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CC2)cc1,1.911317442 |
| Mol251,O=C(c1cccnc1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,1.555698895 |
| Mol252,CNC(=O)c1ccc(N(C)C2CCC2)nn1,1.674585602 |
| Mol253,CC#CCNc1ccc(-n2cnnn2)c(C)c1,1.28780173 |
| Mol254,Nc1nc2ccccc2nc1N1CCCC1,1.474944335 |
| Mol255,CCn1c(=O)n(CC)c2cc(N)ccc21,1.574031268 |
| Mol256,Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccccc2Cl)n1,1.81391442 |
| Mol257,COc1ccccc1C(=O)NCc1nc(C)cc(N2CCCCC2)n1,1.825945143 |
| Mol258,CCc1nnc(NC(=O)Cc2cccc(F)c2)s1,1.086359831 |
| Mol259,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1F,1.288919606 |
| Mol260,Cc1cccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,1.409933123 |
| Mol261,O=C(CN1CCCN(c2nccs2)CC1)Nc1cccc(Cl)c1,1.569958818 |
| Mol262,COc1ccccc1NC(=O)CN1CCCN(c2nc(C)cs2)CC1,1.74390155 |
| Mol263,CC(C)(C)c1cc(NC(=O)c2cccc3cn[nH]c23)[nH]n1,0.250420002 |
| Mol264,Cc1ccccc1OCCCNc1cc(Cn2c(C)nc3ccccc32)nc(N)n1,1.159567193 |
| Mol265,COc1ccc(-c2cccc(C3CCCN(CC(=O)Nc4ccccn4)C3)n2)cc1,0.908485019 |
| Mol266,O=C1CCCN1CCc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1,1.770778396 |
| Mol267,Cc1noc(C)c1C(=O)N1CCCN(c2ccc(F)cc2)CC1,1.745074792 |
| Mol268,COCC1CCN(c2noc(-c3cccs3)n2)CC1,1.109578547 |
| Mol269,NC(=O)COc1ccccc1-c1ccccc1,1.59117595 |
| Mol270,Cc1nc(C)c(C)c(NCc2cc(-c3ccc(F)cc3)no2)n1,1.573567773 |
| Mol271,Cc1cccn(Cc2cccc(F)c2)c1=O,1.377488383 |
| Mol272,C[C@@H](C(=O)N1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.60906055 |
| Mol273,Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1,0.492760389 |
| Mol274,Cc1ccc(-c2cn(CC3CCN(Cc4c[nH]c(C)n4)CC3)nn2)cc1,1.397940009 |
| Mol275,Clc1ccc2c(Oc3cccnc3)ncnc2c1,1.5984622 |
| Mol276,CC(C)(C)c1csc(NC(=O)C2CC2)n1,1.465977368 |
| Mol277,Cc1ccc(C(=O)Nc2ncccc2C)s1,1.5774918 |
| Mol278,CC(C)(C)C(=O)N1CCN(C(=O)CCN2CCOC2=O)CC1,1.797267541 |
| Mol279,COc1ccc(Cc2cccc(C3CCN(C(=O)C4CCCC4)CC3)n2)cc1,1.412124406 |
| Mol280,O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2ccccc2C1,1.635986112 |
| Mol281,O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCCN1CCCC1,1.7182525 |
| Mol282,O=C(CCCc1nnc(-c2ccccc2)o1)Nc1cccc2ccccc12,0.117271296 |
| Mol283,CN(CC(=O)NC1(C#N)CCCCC1)c1cccc(C#N)c1,1.306853749 |
| Mol284,Cc1nc(C2(NCc3cccc(C#N)c3)CCCC2)no1,1.677971753 |
| Mol285,CN(CCC1CCCCC1)C(=O)c1ccon1,1.84460142 |
| Mol286,CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1,1.817300878 |
| Mol287,CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12,1.698535493 |
| Mol288,COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O,1.727459921 |
| Mol289,O=C(O)c1ccc(N2CCCC2)c(F)c1,1.435844366 |
| Mol290,Cc1cc(C)cc(Oc2cc(C#N)ccn2)c1,0.98811284 |
| Mol291,Cc1cc(NC(=O)C2CCOCC2)sn1,1.751817788 |
| Mol292,O=C(CC1CCNCC1)NCCc1ccccc1F,1.767081621 |
| Mol293,N#Cc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1,1.398981067 |
| Mol294,N#Cc1cccc(CN2CCC=C(CNC(=O)c3cccs3)C2)c1,1.718086295 |
| Mol295,CON(C)C(=O)c1cc(C)ccc1NS(C)(=O)=O,1.522313795 |
| Mol296,C#CCN1CCC(c2nc(Cc3noc(C)n3)no2)CC1,1.695043659 |
| Mol297,Cc1ccc(Cn2nccc2NC(=O)c2ccncc2)o1,1.525951341 |
| Mol298,NC(=O)Cn1cc(-c2ccc(F)cc2)cn1,1.446692466 |
| Mol299,CCN(C(=O)CN1CCNC(=O)C1)c1ccc(F)cc1,1.541828767 |
| Mol300,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(F)c1,1.390935107 |
| Mol301,CN(C)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)C[C@H]1O,2.179264464 |
| Mol302,N#Cc1cc(F)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1,1.829303773 |
| Mol303,CNC(=O)Cc1csc(-c2ccc(C)cc2)n1,0.608526034 |
| Mol304,COc1ccccc1CNC(=O)C(C)N1CCCN(c2ccccc2C#N)CC1,1.670709595 |
| Mol305,CON(C)C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,0.008600172 |
| Mol306,CCN(CC)Cc1cccc(/C=C/c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1,1.829368108 |
| Mol307,N#CCCN(c1ncnc2sccc12)C1CC1,1.600101256 |
| Mol308,Cc1ccc2nc3c(c(C(=O)NCc4nnc5n4CCC5)c2c1)CCCC3,1.756636108 |
| Mol309,O=c1n(CCc2ccncc2)nnn1-c1ccccc1,1.363047595 |
| Mol310,CCCCOc1ccc(C(=O)NCc2cc(C)on2)cc1,0.62324929 |
| Mol311,COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1,1.869994 |
| Mol312,COc1ccc(Cc2ncnn2-c2ccc3c(c2)OCO3)c(OC)c1,1.543074235 |
| Mol313,O=c1[nH]nc(CCCN2CCOCC2)n1-c1cccc(Cl)c1,1.606381365 |
| Mol314,Nc1cncc(-c2ccc(CN3CCCCC3)cc2)c1,1.414304688 |
| Mol315,O=C(CN1CCCC(c2ccc3cn[nH]c3n2)C1)N1CCCC1,1.580069223 |
| Mol316,COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3CNCC[C@H]3O[C@@H]21,1.727785174 |
| Mol317,CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCNC[C@@H]3C[C@H]21,1.628286731 |
| Mol318,CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCc2ccccc2)n1,1.707570176 |
| Mol319,CCn1nc(C2CCCC2)nc1-c1ccncc1,1.431363764 |
| Mol320,O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCc2ccccc2C1,1.699404082 |
| Mol321,CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)nc2O1,1.885785129 |
| Mol322,CC(C)(C)NC(=O)c1cncn1C1CCN(c2ccc(-c3nnc(C(F)(F)F)o3)cn2)CC1,1.786254396 |
| Mol323,COc1ccc(-n2c(Cn3cnc(C#N)n3)nc3ccccc32)cc1,1.556543708 |
| Mol324,CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,1.724521627 |
| Mol325,Cc1nc(NCc2scnc2C)n(C)n1,1.442322956 |
| Mol326,CCn1cc(C2CCN(Cc3ccc(C#N)cc3)CC2)cn1,1.632963168 |
| Mol327,CCCn1nccc1NC(=O)c1c(C)noc1C,1.498310554 |
| Mol328,CCc1cc2c(N(C)CCO)ncnc2s1,1.611404638 |
| Mol329,c1cnc(N2CCC(Cc3ccncc3)CC2)nc1,1.764176132 |
| Mol330,Cc1cc(C)n(CCNC(=O)NC2CCOCC2)n1,1.67678503 |
| Mol331,CCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1,1.732876041 |
| Mol332,CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1,1.643945913 |
| Mol333,Cc1ccc(CNC/C=C/c2ccccc2)cn1,1.464191371 |
| Mol334,CC(C)(C)n1ncc(OCc2ccc(OCCOCCO)nc2)c(Cl)c1=O,1.512150537 |
| Mol335,CC(=O)Nc1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1,0.949390007 |
| Mol336,CCCNC(=O)C1(Cc2ccccn2)CCOCC1,1.930745328 |
| Mol337,CC1(c2ccn[nH]2)CCN(Cc2ccco2)CC1,1.321805484 |
| Mol338,CCCn1cc(C(=O)N2CCC(c3n[nH]cc3C(=O)N3CCOCC3)CC2)cn1,1.733197265 |
| Mol339,O=C(c1ccc2[nH]ccc2c1)N1CCCC(c2cccc(-c3ccc(F)cc3)n2)C1,0.371067862 |
| Mol340,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,1.567849451 |
| Mol341,Cc1cc(Nc2ccc3c(c2)oc(=O)n3C)nc(C2CC2)n1,0.727541257 |
| Mol342,O=C(Cc1c(F)cccc1Cl)Nc1cccc2cnccc12,0.320146286 |
| Mol343,CCc1ccc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1,0.06069784 |
| Mol344,CN(C)CCOc1ccc(-c2nc(-c3ccncc3)c(-c3ccc4c(c3)CC/C4=N\O)[nH]2)cc1,0.041392685 |
| Mol345,O=C(NCc1ccc(-n2cncn2)nc1)c1csc2c1CCCC2,0.72427587 |
| Mol346,Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C,1.236537261 |
| Mol347,Cc1nc(C(C)C)sc1C(=O)Nc1nc(C(C)(C)C)cs1,1.071513805 |
| Mol348,CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2Cl)c1C,0.711807229 |
| Mol349,Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)O)c3)c2n1,1.245512668 |
| Mol350,Cc1ccc2nc(-c3ccc(N(C)C)cc3)[nH]c2c1,1.058426024 |
| Mol351,Cc1nc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc(NC2CCCC2)n1,1.77480883 |
| Mol352,CCC(CC)NC(=O)c1ccc2ncsc2c1,1.346548559 |
| Mol353,O=C1CNC(=O)N1CCCN1CCc2sccc2C1,1.708930536 |
| Mol354,CCCc1nc(N2CCc3ccccc3C2)ncc1C(=O)O,1.710878618 |
| Mol355,Cc1nc(CCN2C(=O)NC(C)(C)C2=O)cs1,1.503109437 |
| Mol356,COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1,1.319314304 |
| Mol357,c1ccc(OCc2cc(CC3(NCc4cnc5ccccc5c4)COC3)no2)cc1,1.117271296 |
| Mol358,Cc1nn(C)cc1CNc1nc(-c2cnccn2)nc2sc3c(c12)CCCC3,1.704322141 |
| Mol359,CCOc1ccc(-c2csc(N)n2)cc1,0.8162413 |
| Mol360,CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4cccs4)n3)C2)c1,0.322219295 |
| Mol361,CNc1ncc(-c2nc(C3(c4ccccc4)CC3)nn2C(C)(C)C)cn1,0.582063363 |
| Mol362,N#Cc1ccc(OCCn2cccn2)cc1,1.600210306 |
| Mol363,OC[C@@H](c1ccccc1)n1cc(CCc2ccccc2)nn1,1.147367108 |
| Mol364,CC(C)CC(=O)Nc1cccnc1N(C)C,1.481299273 |
| Mol365,Cc1nccc(-c2cccc(-n3ccnc3C(C)C)c2)n1,1.606381365 |
| Mol366,CN(Cc1cnn(C)c1)c1ncnc2c1oc1ccccc12,1.628491105 |
| Mol367,Cc1cccc(NC(=O)c2cccnc2N2CCCCC2)n1,1.4407517 |
| Mol368,Clc1snnc1CN1CCCN(c2nc3ccccc3[nH]2)CC1,1.44963265 |
| Mol369,COc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1,1.793930007 |
| Mol370,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2,1.735199548 |
| Mol371,Cc1ccnc(NC(=O)CN(C)C(=O)c2ccc(Cl)cc2)c1,1.80140371 |
| Mol372,c1ccc(-n2cc(CNc3ncccn3)cn2)cc1,1.613947477 |
| Mol373,Cc1cc(C)c(C#N)c(N2CCN(CC(=O)Nc3ccccc3Cl)CC2)n1,0.037426498 |
| Mol374,O=C(NCCCn1ccnc1)N1CCC12CCC2,1.614053106 |
| Mol375,Cc1nccc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)n1,1.785685668 |
| Mol376,COCCc1nc(-c2cnc(C3CC3)nc2)n(Cc2ccc(F)cc2)n1,1.532372134 |
| Mol377,O=C(NCc1nnc2c(O)nccn12)C1CCCC1,1.621591676 |
| Mol378,CN(C)C(=O)COc1ccc(N)c(F)c1,1.641474111 |
| Mol379,COc1ccc(Br)c(-c2nnc(N)o2)c1,1.393926007 |
| Mol380,CCCn1ccnc1CNc1nc2c(s1)c(C)nn2C,1.491501766 |
| Mol381,Cc1nn(C)c2nc(N3CCN(C)C[C@@H]3c3ccccc3)sc12,1.652826303 |
| Mol382,Cc1cn[nH]c1C1(C)CCN(Cc2cnn(C)c2)CC1,1.452859336 |
| Mol383,Cc1nc2ccccn2c1CC(=O)NCCCSc1ccccc1,1.626443025 |
| Mol384,COc1ccccc1CNC(=O)c1cnc(C2CCN(C(=O)C(C)(C)C)CC2)nc1C,1.842921121 |
| Mol385,CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1,1.691965103 |
| Mol386,CCOc1ccc(-c2ccccc2NC(=O)COC)cc1,1.571242851 |
| Mol387,Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCCC3)cc1,1.562292864 |
| Mol388,CNC(=O)c1cnc(/C=C/c2csc(-c3cccs3)n2)s1,0.948412966 |
| Mol389,Cc1ccc(-c2nc(C(=O)N3CCc4ccccc4C3)cs2)o1,1.555698895 |
| Mol390,FC(F)(F)c1nc(Nc2ccc(-n3cnnn3)cc2)c2ccccc2n1,0.06069784 |
| Mol391,CC(=O)NC1CCN(Cc2cccc(-c3cccnc3)c2)CC1,1.411619706 |
| Mol392,Cc1cc(C)c(NC(=O)c2ccnc(OC3CCC3)c2)c(C)n1,1.557867962 |
| Mol393,Cn1c(-c2ccccc2)cnc1NCc1ccccc1,1.442793226 |
| Mol394,Cc1ccc(-c2cc(NC(=O)CN3CCOCC3)on2)cc1,1.717004407 |
| Mol395,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2,1.360025089 |
| Mol396,CCc1nnnn1Cc1noc2c1CCCC2,1.366236124 |
| Mol397,CSCCc1nc(-c2cc(C)nc3cc(F)ccc23)n(CCO)n1,1.380934463 |
| Mol398,CCOc1ncccc1-c1cc(Cl)ccc1O,1.356025857 |
| Mol399,Cc1nc(NC(c2nccn2C)C2CC2)c2sccc2n1,1.710117365 |
| Mol400,Cc1cc(C(=O)N(C)C2CCC2)n2nccc2n1,1.958563883 |
| Mol401,CCCn1ncc2ccc(C3CCCN(CC(=O)N4CCCC4)C3)nc21,1.693726949 |
| Mol402,CC1CCC(NC(=O)c2oc3ccccc3c2CS(C)=O)CC1,1.837272703 |
| Mol403,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)C1CCOCC1,1.691965103 |
| Mol404,Cn1cc(NC(=O)c2ccccc2C(F)(F)F)cn1,1.576226137 |
| Mol405,CN(Cc1n[nH]c2c1CCCC2)c1nccnc1C#N,1.311753861 |
| Mol406,COc1ccc2c(c1)CN(C(=O)c1cc(C3CC3)[nH]n1)CC2,1.13481437 |
| Mol407,COc1ccc(C(=O)c2ccccc2)c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,1.693199145 |
| Mol408,COc1ccc(OC)c(-c2cc(C(=O)N3CCCN(C(C)=O)CC3)no2)c1,1.775974331 |
| Mol409,Cc1cc(C)cc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)c1,1.586699802 |
| Mol410,CC(C)CC(=O)NCC(=O)N1CCCC1,1.788945727 |
| Mol411,Cc1nnc(N2CC[C@H](O)C2)c(C#N)c1C,1.494711025 |
| Mol412,Cc1ccc(Cn2nc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)cc2-c2ccc(Cl)c(C)c2)cc1,0.11058971 |
| Mol413,Cc1cccc(-c2ncc(CNCc3ccccc3-n3cccn3)cn2)c1,1.349277527 |
| Mol414,COc1cccc(OC)c1-c1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)nn1-c1ccnc2cc(Cl)ccc12,1.955976222 |
| Mol415,Clc1ccc(-c2ccc(CNCC3CCCO3)o2)c(Cl)c1,1.483587297 |
| Mol416,O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccc3ccccc3c2O)CC1,0.380211242 |
| Mol417,CN(C)C(=O)CN1CCN(C(=O)c2ccc3ccccc3c2O)CC1,1.64246452 |
| Mol418,NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1,1.922984816 |
| Mol419,CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cccc(C#N)c1,1.749968084 |
| Mol420,CC(=O)N1CCC(Nc2ncnc3cc(-c4ccc(Br)cc4)sc23)CC1,1.008174184 |
| Mol421,Cc1cc(NC2CCCC2)nc(C2CCNCC2)n1,1.853819846 |
| Mol422,COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1,0.357934847 |
| Mol423,Cc1ccc2nc(C)c(C(=O)N3CCC(C(=O)Nc4ccncc4)CC3)cc2c1,1.719828286 |
| Mol424,Cn1cc(C2CCN(CC(=O)N3CCc4sccc4C3)CC2)cn1,1.792251572 |
| Mol425,O=C(CCN1C(=O)CCC1=O)Nc1cccc2ncccc12,1.655138435 |
| Mol426,CCc1ccccc1NC(=O)Cn1nc(C)cc1C,1.645618738 |
| Mol427,O=C(Cc1ccc(Cl)cc1)NCc1ccncc1,1.712733859 |
| Mol428,CC(C)n1cc(-c2ccc3c(c2)N(C)CC3)c2c(NS(=O)(=O)c3ccn(C)n3)ccnc21,1.288025535 |
| Mol429,O=C(Cc1cccc2ccccc12)NCc1nnc2n1-c1ccccc1CC2,1.669037801 |
| Mol430,Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O,1.894924977 |
| Mol431,Cc1cccnc1NC(=O)CCn1cnc2ccccc21,1.682145076 |
| Mol432,CNC(=O)c1ccc(CN(C)c2c(F)cc(C#N)cc2F)cc1,1.197004728 |
| Mol433,CC(C(=O)Nc1ccccc1)N1CCCN(c2nccs2)CC1,1.569958818 |
| Mol434,O=C1CCCN1c1ccc(CN2CCC(c3noc4cc(F)ccc34)CC2)cc1,1.767823498 |
| Mol435,Brc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)o1,1.797475288 |
| Mol436,Cc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1,1.635282638 |
| Mol437,CCc1noc(C2CCC(NCC3CCC(F)(F)CC3)CC2)n1,1.880470593 |
| Mol438,COC(=O)N1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,1.770115295 |
| Mol439,CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,1.759667845 |
| Mol440,COc1ccc(F)c(CN2CCC(Cc3noc(C)n3)CC2)c1,1.841422044 |
| Mol441,Cc1ccc(C)c(-n2c(S)nnc2-c2ccc(O)cc2)c1,1.343408594 |
| Mol442,CCN1CCC(Nc2ncnc3c2cnn3C)CC1,1.511482289 |
| Mol443,CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O,1.704150517 |
| Mol444,Cc1nccn1CCNC(=O)C(C)(C)C,1.418135498 |
| Mol445,O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1,0.985426474 |
| Mol446,CC(C)(C)c1csc(CCNC(=O)N2CCSCC2)n1,1.839540893 |
| Mol447,CS(=O)(=O)CCNc1ccc2ccc(F)cc2n1,1.728191399 |
| Mol448,COc1cccc(NC(=O)CNc2cccc(-c3ccnc(C)n3)c2)c1,1.702861171 |
| Mol449,O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1,0.689308859 |
| Mol450,Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21,0.669316881 |
| Mol451,COc1cc(CNc2nnn[nH]2)cc(Br)c1OCc1ccc(Cl)cc1,0.274157849 |
| Mol452,O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1,1.33825723 |
| Mol453,CCNC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1,1.722551662 |
| Mol454,O=C(CCc1nnc(-c2ccsc2)o1)N1CCCc2cc(F)c(F)cc21,0.318063335 |
| Mol455,Cn1ccnc1CCNC(=O)c1cccc2cccnc12,1.618257345 |
| Mol456,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2,1.733036683 |
| Mol457,Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ncccc21,1.733999287 |
| Mol458,Nc1nc2ccccc2n1CCCc1ccccc1,1.434568904 |
| Mol459,Cc1ccc2c(CC(=O)NCc3cccs3)coc2c1,0.786751422 |
| Mol460,CC(=O)NC1(C(=O)N2CCCN(C3CC3)CC2)CCC(C)CC1,1.730701544 |
| Mol461,O=C(c1cccc(CNc2ccc3nccnc3n2)c1)N1CCCCC1,1.750199728 |
| Mol462,CC(C)CN(c1ncnc2c1cnn2C)C1CC1,1.470851325 |
| Mol463,O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1,0.653212514 |
| Mol464,Cc1ccc(-c2ccc(-c3nccn3CCCn3cnnc3)o2)cc1,1.566201719 |
| Mol465,CCc1cc(NCc2cccc(OCCOC)c2)ncn1,1.691258358 |
| Mol466,Cn1ccnc1CN1CCN(Cc2ccc(F)cc2C#N)CC1,1.642365581 |
| Mol467,Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21,1.690993032 |
| Mol468,CC(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1,2.052617001 |
| Mol469,CCOC(=O)CNC(=O)c1ccc(O)cc1O,1.559188189 |
| Mol470,N#CC1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCCC1,1.716587578 |
| Mol471,N#Cc1cccnc1NCCc1cn2c(n1)CCCC2,1.719497017 |
| Mol472,CN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)nc1,1.588831726 |
| Mol473,O=C(CC1CCN(c2ncc(Cl)cn2)CC1)N1CCOCC1,1.709269961 |
| Mol474,Cc1sc2nc(CN3CCC(C)CC3)nc(N3CCN(c4cnccn4)CC3)c2c1C,1.623145875 |
| Mol475,Cc1cc2cc(C(=O)N(C)CCC(=O)O)oc2cc1C,1.672374979 |
| Mol476,Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1,1.310905629 |
| Mol477,CN(CC1(O)CCCC1)c1ncccn1,1.51308436 |
| Mol478,CCNC(=O)C1CN(c2nc(C3CC3)nc3c2CCC3)C1,1.653212514 |
| Mol479,Cc1cc(-c2nnc3ccc4ccccc4n23)n(C)n1,1.23299611 |
| Mol480,Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12,1.360214613 |
| Mol481,CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O,1.741466762 |
| Mol482,Clc1ccc(NCc2ccoc2)nn1,1.331629718 |
| Mol483,CCOCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,1.57818061 |
| Mol484,CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,1.227115083 |
| Mol485,CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1,1.754806855 |
| Mol486,CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1,1.743823222 |
| Mol487,Cn1ccc(CN2C(=O)c3ccccc3C2=O)cc1=O,1.699404082 |
| Mol488,Cc1nc(Cn2ncc3ccccc3c2=O)cs1,1.653887558 |
| Mol489,Cc1ncccc1CNc1nnc(C(C)(C)C)s1,1.612041745 |
| Mol490,Cc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2,1.668385917 |
| Mol491,COc1cc(Br)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c(Br)c1,1.463146137 |
| Mol492,Cc1ccnc(-n2nccc2NC(=O)N2CCCN(C)CC2)c1,1.501470072 |
| Mol493,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCO4,0.982271233 |
| Mol494,Cc1nc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2s1,0.113943352 |
| Mol495,CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1,1.600537294 |
| Mol496,Cc1nc(O)cc(C2CCN(c3cnccn3)CC2)n1,1.704922291 |
| Mol497,COc1ccc(-c2c(C)n[nH]c2C)cn1,1.167612673 |
| Mol498,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(Cc4cccs4)C3)c2n1,1.691081492 |
| Mol499,O=C(/C=C/c1ccc(Cl)cc1)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2,0.33243846 |
| Mol500,Cc1cc(N)n(-c2ncnc3sc(C)c(-c4ccc(Cl)cc4)c23)n1,0.800717078 |
| Mol501,CC(C)C[C@@H](C(N)=O)n1ccnc1-c1cccc2ccccc12,1.513883186 |
| Mol502,Cc1nc(Cl)cc(Nc2cnn(C(C)(C)C)c2)n1,1.353916231 |
| Mol503,CCc1ccc2nc(C)cc(C(=O)N3CC(c4cccnc4)C3)c2c1,1.594171479 |
| Mol504,CC(C)(C)CC(=O)N1CCC(OCCCN)CC1,1.70457945 |
| Mol505,CC(C)NC(=O)Cn1nnnc1C(C)(C)C,1.366982976 |
| Mol506,CCn1nc(Cc2ccc(OC)cc2)nc1Cc1sc(C)nc1C,1.458335626 |
| Mol507,CCONC(=O)c1cncn1-c1ccc(F)cc1,1.681693392 |
| Mol508,O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCCc2ccccc21,0.212187604 |
| Mol509,Cc1ccccc1OCCn1c(N)nc2ccccc21,1.608632989 |
| Mol510,Cc1cccc(OC2CCN(CC(N)=O)CC2)c1,1.897517129 |
| Mol511,Clc1cccc(-c2nnc(Cn3cnc4ccccc43)o2)c1,1.437750563 |
| Mol512,COc1cc(F)ccc1-c1ncccc1NC(=O)C(C)C,1.539703239 |
| Mol513,CCCN(C(=O)c1c(CC)noc1C)C1Cc2ccccc2C1,1.571475904 |
| Mol514,O=C(c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1,1.543074235 |
| Mol515,O=C(NCCN1C(=O)CSC1=O)c1cc(Cl)c2c(c1)OCO2,1.597695186 |
| Mol516,CCc1ccc(-c2nccn2Cc2c(C)nn(CC)c2C)o1,1.607776604 |
| Mol517,COc1ccc(Nc2ncnc3sccc23)c(OC)c1,1.60346916 |
| Mol518,Cc1cccc(C(=O)NCC#Cc2ccccc2)n1,1.472463897 |
| Mol519,CN(CCc1ccccn1)c1cnc2ccccc2n1,1.648847708 |
| Mol520,Cc1ccc(Cn2nc(C)c(C(N)=O)c2Cl)cc1,1.387567779 |
| Mol521,O=c1cc(CN2CCCCc3ccccc32)[nH]c2ccnn12,1.154423973 |
| Mol522,O=C1CN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CCN1,1.591064607 |
| Mol523,O=C(Nc1ccn(Cc2ccc(O)cc2C(F)(F)F)n1)c1c(F)cccc1F,1.637989781 |
| Mol524,CC(C)CC(=O)N1CCC(Cc2cccc(-c3cncnc3)c2)(C(=O)NC(C)C)CC1,2.135927335 |
| Mol525,Fc1ccc2[nH]c(CO[C@H]3CN(Cc4ccccc4)C[C@H]3F)nc2c1,1.549003262 |
| Mol526,Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)o1,1.657055853 |
| Mol527,O=C(CSC1CCCC1)N1CCC(Cn2cccn2)CC1,1.80140371 |
| Mol528,CN(C)C(=O)c1sc2nc(C3(C)CCN(c4ncccn4)CC3)ccc2c1N,1.818555779 |
| Mol529,CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1,0.67669361 |
| Mol530,Cc1ccc([C@@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1,1.726727209 |
| Mol531,Cc1nc2cc(NC(=O)CCc3c(C)nc4c(c(C)nn4C)c3C)ccc2o1,0.968482949 |
| Mol532,O=C(NCCc1ccc2c(c1)OCO2)N1CCc2sccc2C1,1.658488381 |
| Mol533,COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1,1.975431809 |
| Mol534,N#Cc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1,1.154423973 |
| Mol535,Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)o1,1.550228353 |
| Mol536,CN(CCN1CCOC1=O)C(=O)c1cc2cc(Br)ccc2o1,1.706973676 |
| Mol537,CC1(C)OCCn2c1nc1c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12,0.808885867 |
| Mol538,CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c([C@H]3CCCO3)n2)CC1,1.836197481 |
| Mol539,CCSCc1nc(N)c2ccccc2n1,1.4827307 |
| Mol540,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)COc2ccccc2)CC1,1.959851955 |
| Mol541,O=C(C1CCC1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1,1.756331767 |
| Mol542,CC(C)C(=O)Nc1ncn(Cc2cccnc2)n1,1.579669294 |
| Mol543,Cc1csc(NC(=O)CCc2ccncc2)n1,1.580924976 |
| Mol544,CSc1cccc(-c2ccccc2-c2nnc(C)o2)c1,1.618466492 |
| Mol545,O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCC(n2cccc2)CC1,1.019946682 |
| Mol546,Nc1ccc2[nH]c(CCc3ccccc3)nc2c1,1.5594278 |
| Mol547,Cc1ccc2c(C(=O)N(C)C)cc(-c3cnc(C(C)C)nc3)nc2c1C,0.385606274 |
| Mol548,COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1,1.472463897 |
| Mol549,Fc1ccccc1CN1CCN(c2ncccn2)CC1,1.558708571 |
| Mol550,CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1ccc(O)nc1,1.59736605 |
| Mol551,O=C(c1noc2c1CCCC2)N1CCN(c2ncccn2)CC1,1.726727209 |
| Mol552,CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N,1.448087667 |
| Mol553,CC1(C)O[C@@](C)([C@H]2CC3(CCNCC3)CO2)CC[C@@H]1O,1.62910365 |
| Mol554,CC1(C)CN(CC(=O)NCC#N)c2cccc(Cl)c21,1.455453969 |
| Mol555,Cc1ccc(C(=O)NC2CCN(CC#N)CC2)cc1Br,0.309630167 |
| Mol556,Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1,1.622524862 |
| Mol557,Cc1csc(N(C(=O)c2cc3c(C)nn(C)c3s2)C2CC2)n1,1.758381942 |
| Mol558,CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1,1.753812784 |
| Mol559,Cc1cccnc1CNc1ccc(C#N)cc1F,1.556181847 |
| Mol560,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,1.578524605 |
| Mol561,Cn1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1,1.827692289 |
| Mol562,O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12,0.785329835 |
| Mol563,O=C(Cn1c(-c2ccc(F)cc2)nc2ccccc21)N1CCOCC1,1.736953954 |
| Mol564,C[C@@H](CO)Nc1nc(C(F)(F)F)nc2[nH]cnc12,1.602059991 |
| Mol565,CC(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1,1.872447648 |
| Mol566,COCc1ccccc1CNc1ccc2cc(C#N)ccc2n1,0.416640507 |
| Mol567,Cc1csc(CN(C)c2ccnc(N(C)C)n2)n1,1.660770644 |
| Mol568,Cn1cc(C#N)cc1-c1nc(C2CC2)nn1CCc1ccccc1,1.692318044 |
| Mol569,Nc1nnc(-c2ccc3c(c2)OCCO3)o1,1.368658712 |
| Mol570,N#CCCCN1CCN(c2cc(C#N)ccn2)CC1,1.615318657 |
| Mol571,CCc1ccccc1NC(=O)CCn1ccnc1-c1ccc2c(c1)OCO2,1.623662707 |
| Mol572,CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2CC(C)C,1.743039155 |
| Mol573,CCn1ccc2cc(C(=O)N3CCN(c4ccc(C)cc4)C(=O)C3)ccc21,1.660201201 |
| Mol574,Cn1cc(-c2nnc(NCc3ccc4ccccc4c3)o2)cn1,1.050379756 |
| Mol575,Cc1nn(C)c(C)c1NC(=O)CN1CCN(c2nccs2)CC1,1.765072201 |
| Mol576,CCc1c(N)cnn1-c1ccccc1C,1.569841899 |
| Mol577,Cn1ccc(C(=O)N2CCCC(c3cccc(-c4cccc(Cl)c4)n3)C2)n1,1.426511261 |
| Mol578,CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NCc1ccccc1F,1.640580806 |
| Mol579,CNC(=O)CN(C)c1cccc(F)c1C#N,1.532754379 |
| Mol580,O=C(Cc1csc(-c2ccccn2)n1)NC1CCCCCC1,1.05804623 |
| Mol581,CN1C(=O)N(CC(=O)Nc2ccccc2-c2ccccc2)C(=O)C1(C)C,1.271609301 |
| Mol582,Cc1nc(Cl)cc(Nc2ccc3c(c2)N(C)C(=O)CO3)n1,1.477555332 |
| Mol583,COc1cc2nc(N)sc2cc1OC,1.513483957 |
| Mol584,CCOC(=O)C1(Cc2cc(-c3ccc(F)cc3)no2)CCN(Cc2ccccc2O)CC1,0.84135947 |
| Mol585,COc1cc(CN2CCC(c3ccnc(C)n3)CC2)ccc1F,1.851441815 |
| Mol586,Oc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1,0.342422681 |
| Mol587,CNC(=O)c1cn(C)nc1CC1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1,1.759743368 |
| Mol588,Cc1cc(Oc2ncccn2)ccc1NC(=O)c1c(C)oc(C)c1C,1.740046724 |
| Mol589,Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,0.51851394 |
| Mol590,COc1cccc(-c2nc(C(=O)O)cs2)c1OC,1.576571684 |
| Mol591,COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2,1.358886204 |
| Mol592,Cc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1,1.713574538 |
| Mol593,O=C(C(c1ccccc1)c1ccccc1)N1CCOCC(Cc2ccc3cnccc3c2)C1,1.547774705 |
| Mol594,COc1ccc(OCC(=O)N2CCN(C)CC2)cc1,1.72057272 |
| Mol595,CC(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1,1.790707287 |
| Mol596,Cc1cc(NC(=O)c2cccs2)no1,1.500099192 |
| Mol597,Cc1csc(N(C(=O)c2ccc(-n3cncn3)c(F)c2)C2CC2)n1,1.727053011 |
| Mol598,COc1c(C)cnc(CN(C)S(N)(=O)=O)c1C,1.485721426 |
| Mol599,CCc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12,1.123851641 |
| Mol600,Cc1cc(C(=O)N(C)Cc2ccsc2)no1,1.533009023 |
| Mol601,OCCN1CCC(c2ccncn2)CC1,1.573103783 |
| Mol602,CN(c1ncc(Br)cn1)C1CCS(=O)CC1,1.882638362 |
| Mol603,CCc1ncnc(N(C)Cc2ccc(N)nc2)c1F,1.542825427 |
| Mol604,COc1ncnc2c1CN(Cc1c[nH]nc1-c1ccc(F)cc1)CC2,1.452553063 |
| Mol605,O=C(NCc1cc(F)cc(F)c1)c1ccccn1,1.637189422 |
| Mol606,CN1CCC(n2ncc3[nH]c(-c4ccc5ccccc5c4)nc32)CC1,1.624282096 |
| Mol607,O=C(Cc1ccc2c(c1)CCC2)Nc1nc2ccccc2o1,0.559906625 |
| Mol608,Cc1cc(C(=O)Nc2c(C)nn(C(C)C)c2C)c2ccc(F)cc2n1,1.703205371 |
| Mol609,COCc1cc(-c2nc(CCc3ccccc3)n[nH]2)ccc1OC,1.396722279 |
| Mol610,Cc1nc(C)c2c(C)c(C(=O)N(C)CCN3CCCC3)sc2n1,1.784831178 |
| Mol611,COc1ccccc1CNc1n[nH]c2nc([C@H]3CCCN(CC(=O)N4CCCC4)C3)ccc12,1.739176632 |
| Mol612,Cc1ccc2nc3c(c(C(=O)NCc4cnn(C)c4)c2c1)CCCC3,1.750199728 |
| Mol613,Clc1cc2ncc(-n3ccnc3)nc2cc1Cl,0.471291711 |
| Mol614,CN(Cc1ccncc1)Cc1cc2ccccc2nc1O,1.686546899 |
| Mol615,CCC(CC)NC(=O)c1cc(C)nc2onc(C)c12,1.65829765 |
| Mol616,CCCN(C)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.59505509 |
| Mol617,CN(CC(N)=O)Cc1cc2c(cc1Br)OCO2,1.843232778 |
| Mol618,CC(C)c1nc2c(n1C)CCN(C(=O)c1cccc(C(F)(F)F)c1F)C2,1.783903579 |
| Mol619,COc1cccc(-c2nc(-c3cccnc3)n[nH]2)c1,1.355259906 |
| Mol620,CC(C)(C)c1ccc(CN2CCC(C(N)=O)CC2)cc1,1.679064318 |
| Mol621,N#Cc1ccc(N2CCc3c(ncn3C3CC3)C2)nc1,1.658202253 |
| Mol622,O=S(=O)(Cc1csc(C2CCCC2)n1)C1CCCC1,1.542576476 |
| Mol623,N#Cc1cc(F)c(N2CCN(CCO)CC2)c(F)c1,1.615739689 |
| Mol624,CC(C)c1nnc(CN2CCN(c3nccs3)CC2)o1,1.716587578 |
| Mol625,O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1,1.583198774 |
| Mol626,CC(=O)NCC1CCN(C(=O)c2ccc(C)nc2)CC1,1.73239376 |
| Mol627,CC1CCN(C(=O)c2n[nH]c3ccccc23)CC1,1.421932813 |
| Mol628,CN(Cc1cccnc1)Cc1ccc(C#N)o1,1.487138375 |
| Mol629,Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1,0.322219295 |
| Mol630,Cc1ccc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)cn1,1.61415871 |
| Mol631,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccc(F)cc1,1.545925329 |
| Mol632,Cc1ccc(F)cc1CNc1cc(C(=O)N(C)C)ccn1,1.676053125 |
| Mol633,COCCc1nc(CCCn2cccn2)n(C2Cc3ccccc3C2)n1,1.330819467 |
| Mol634,Cn1nc(-c2cn(Cc3ccc(CO)cc3)nn2)c2c(Cl)cccc21,1.283301229 |
| Mol635,CC(C)c1nnc(CNC(=O)C2(C)CCC2)n1C,1.714664993 |
| Mol636,CSCC[C@@H](CO)n1ccnc1-c1oc2ccccc2c1C,1.864511081 |
| Mol637,Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)O)c12,1.709354776 |
| Mol638,CCc1nc(CC)n(Cc2nc(C)cs2)n1,1.554731377 |
| Mol639,OCc1ccc(Cn2cc(-c3cc(F)ccc3-n3cccn3)nn2)cc1,1.538322333 |
| Mol640,CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)N1CCOCC1,1.705007959 |
| Mol641,Cc1nc(CC(=O)NCc2ccccc2)cs1,1.414973348 |
| Mol642,O=C(Nc1ccc2c(c1)OCCCO2)c1cnn(Cc2ccccc2)c1,1.217483944 |
| Mol643,CC(C)C(=O)N1CC(Cc2nccc3ccn(C)c23)C1,1.79719827 |
| Mol644,COc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccccc4)CC3)n2)cc1,1.813647695 |
| Mol645,CCCN(Cc1ccccc1)C(=O)CC1(N)CCC1,1.7513561 |
| Mol646,CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1,1.564666064 |
| Mol647,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1,1.47957531 |
| Mol648,COC(=O)N1CCCN(C(=O)C(=O)Nc2cccc(C(C)C)c2)CC1,1.766189693 |
| Mol649,O=C(Nc1ccn(Cc2ccccn2)n1)c1c(F)cccc1I,1.786609473 |
| Mol650,CCN1CCC(Nc2nc(C)cc(C)c2C#N)CC1,1.63748973 |
| Mol651,CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21,1.675503385 |
| Mol652,O=C(COCC1CC1)N1CCCc2ncccc21,1.53032779 |
| Mol653,O=C(NCc1ccc(F)cc1)c1ccc(-n2ccnc2)nc1,1.850033258 |
| Mol654,O=C(NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccco1,1.575649615 |
| Mol655,O=C(NC1CCCC1)C(=O)c1ccc2c(c1)CCC2,1.495127881 |
| Mol656,COc1cc(CNC(=O)NC2CCCCC2)cc(OC)c1O,1.892150278 |
| Mol657,COCc1ccccc1CNc1ccc2nnc(-c3ccccc3)n2n1,0.447158031 |
| Mol658,CN1C(=O)N(CC(=O)NCc2ccc(Cl)cc2)C(=O)C12CCCCC2,1.705007959 |
| Mol659,Cc1ccccc1OC1CCN(C(=O)Nc2ccc3c(c2)ncn3C)CC1,1.427161403 |
| Mol660,CC(C)c1nnc(CN2CCN(c3ccccc3Cl)CC2)o1,1.704665185 |
| Mol661,O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccco1,1.801815169 |
| Mol662,Cc1ccc2nc(C)c(-c3nc(C)nn3CCO)cc2c1,1.431363764 |
| Mol663,COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)cc1OC(C)C,1.360025089 |
| Mol664,COCC(=O)Nc1nc(C)c(C)s1,1.408579125 |
| Mol665,Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1,0.748188027 |
| Mol666,CC(C)C(=O)N1CCC(Nc2ncnc3ccsc23)CC1,1.680969718 |
| Mol667,Cc1nc(NCc2ccc(F)c(Cl)c2)n(C)n1,1.640878779 |
| Mol668,O=C(NCc1cccc(F)c1)c1[nH]nnc1-c1ccccc1,1.321184027 |
| Mol669,Cn1ccc2c(C(=O)Nc3ncn(Cc4cccnc4)n3)cccc21,1.62838893 |
| Mol670,c1ccc2c(N3CCn4c(nnc4C4CC4)C3)ncnc2c1,1.637589786 |
| Mol671,CCCC(=O)Nc1ccc(-n2cccn2)nc1,1.655426588 |
| Mol672,CCn1cc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c(C)n1,1.73239376 |
| Mol673,Cc1ccc(C)c(C(=O)Nc2cnc3c(c2)c(C)nn3C)c1,0.367355921 |
| Mol674,CC(=O)N1CCC(c2ccccn2)CC1,1.684126926 |
| Mol675,O=C(c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1)N1CCCC1,1.033423755 |
| Mol676,Cc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1,1.304490528 |
| Mol677,Cc1ccc(C(=O)C(=O)NC2CCCC2)cc1,1.480006943 |
| Mol678,O=C(CN1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,1.738384124 |
| Mol679,COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,1.37051309 |
| Mol680,O=C(CN1CCCC(c2cncc(-c3cccc(Cl)c3)n2)C1)N1CCCC1,1.817895757 |
| Mol681,Cc1nc2ccccc2c(N)c1C(=O)/C=C/c1ccccc1,1.617105231 |
| Mol682,O=C(NC[C@H]1COCc2nc3ccccc3n21)c1ccncc1,1.716837723 |
| Mol683,CCc1ccccc1-c1cn(CCc2cnccn2)nn1,1.441695136 |
| Mol684,O=C(NCc1ccc(F)cc1)c1ccccn1,1.541828767 |
| Mol685,CN1CCN(CCOc2ccccc2N)CC1,1.580810973 |
| Mol686,Cc1cc(C)n(-c2ccc(C(=O)NCc3cccnc3)cc2)n1,1.65724713 |
| Mol687,CNC(=O)CC1CCN(c2ncccn2)CC1,1.698970004 |
| Mol688,Cc1ccc(C(=O)C(=O)Nc2c(C)nn(C)c2C)cc1,1.5132176 |
| Mol689,CCCn1ncnc1-c1ccccc1SC,1.29841638 |
| Mol690,O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cn1,1.507720977 |
| Mol691,Cc1nccc(-c2cccc(NCC(=O)NCC(=O)N3CCCC3)c2)n1,1.842297134 |
| Mol692,CC(C)C(=O)Nc1ccc2cnn(C(C)C)c2c1,1.361538971 |
| Mol693,O=C(c1ccccc1-n1cccn1)N1CCN(Cc2cccnc2)CC1,1.735439203 |
| Mol694,O=C(O)CCn1c2ccccc2c2ccccc21,1.716086854 |
| Mol695,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,1.704150517 |
| Mol696,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,0.95616843 |
| Mol697,c1ccc2c(c1)CN(c1cnc3ccccc3n1)CCN2,1.399500661 |
| Mol698,N#Cc1cccnc1NCCc1ccc(F)cc1,0.42975228 |
| Mol699,N#CCCCN1CCC(c2c[nH]c3ccccc23)CC1,1.737033531 |
| Mol700,CCn1c(C)nc2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21,1.894316063 |
| Mol701,Cc1nn(C)c(C)c1C(=O)NCc1ccccc1,1.738066715 |
| Mol702,CC(C)n1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)n1,1.666892211 |
| Mol703,Cc1nc2cc(NC(=O)Cc3c(C)nc4ccccc4c3C)ccc2o1,1.363799945 |
| Mol704,C[C@@H](c1ccc2ccc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)c(C(F)(F)F)c2c1)N1C2CCC1CC(C(=O)O)C2,1.864511081 |
| Mol705,Cc1ccccc1-n1c(CC2CCN(C(=O)C3CC3)CC2)n[nH]c1=O,1.681060244 |
| Mol706,Cn1c(CNC(=O)Cc2cccc3ccccc23)nc2ccccc21,1.002166062 |
| Mol707,CS(=O)(=O)CCc1nc(C2(c3ccccc3)CC2)nn1-c1ccccc1,1.486005186 |
| Mol708,Cc1nc2ncccn2c1C(=O)N(CC#Cc1ccccc1)C1CCCC1,1.632760888 |
| Mol709,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C(=O)C3)c12,1.557988148 |
| Mol710,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnsc2Cl)CC1,0.991226076 |
| Mol711,COc1ccc2nc(C)nc(N3CC(O)(c4ccc(F)cc4)C3)c2c1,1.288472801 |
| Mol712,Fc1ccc(F)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,1.42975228 |
| Mol713,c1cc(CN2CCC(c3ccn[nH]3)CC2)ccn1,1.450249108 |
| Mol714,Cc1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCC(Cc2ncncc2C(N)=O)CC1,1.667452953 |
| Mol715,O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2ncsc2c1,1.643650038 |
| Mol716,c1ccc(-c2noc(NCC3CCC3)n2)cc1,1.540079089 |
| Mol717,c1ccc(-c2n[nH]c(C3CCN(c4cnc5ccccc5n4)CC3)n2)cc1,0.792741786 |
| Mol718,CO[C@H]1CC[C@H](C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)CC1,1.326540669 |
| Mol719,COc1cccc(OCCCn2cncc2-c2cc3c(cc2OC)OCCCO3)c1,1.979775933 |
| Mol720,COc1ccc(-c2nc(CC(N)=O)sc2C)cc1.Cl,1.481442629 |
| Mol721,O=C1NCCCCC1NC(=O)N1CCc2sccc2C1,1.695481676 |
| Mol722,O=C(O)c1ccc(=O)n(CCc2c[nH]c3ccccc23)c1,1.627365857 |
| Mol723,Cn1ccc(CN2CCC(c3cnccn3)CC2)n1,1.698970004 |
| Mol724,Cc1nccn1-c1ccc(F)cc1CNC(=O)C(C)C,1.773420723 |
| Mol725,O=C(CN1CCSC1=O)Nc1ccccc1F,1.500236475 |
| Mol726,COc1ccc(CNCc2cccc3ccccc23)cc1,1.673941999 |
| Mol727,O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1,0.195899652 |
| Mol728,Cc1noc(NCc2cccc(-c3cccnc3)c2)n1,1.539327064 |
| Mol729,CCCn1cnnc1Cn1ccnc1-c1ccc2occc2c1,1.456821348 |
| Mol730,Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1,1.73239376 |
| Mol731,O=C(CCNc1ncccn1)N1CCc2ccccc2C1,1.545059585 |
| Mol732,CN(Cc1cccc(C#N)c1)Cc1cnn(C)c1,1.507180977 |
| Mol733,Nc1cnc(Cc2ccc(F)cc2)nc1,1.582404298 |
| Mol734,Cc1noc([C@@H]2C[C@H](NC(=O)c3ccc(F)cc3)CN2C)n1,1.209515015 |
| Mol735,Cc1ccc(F)cc1NC(=O)c1cnc2onc(C(C)C)c2c1,1.627570664 |
| Mol736,O=C(CCCc1ccc(F)cc1)N1CCN(c2ccccc2)C(=O)C1,1.692053365 |
| Mol737,Cc1ccsc1CN(C)C(=O)[C@@H]1CCCN1C(=O)NC(C)C,1.624488363 |
| Mol738,CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1,1.73295637 |
| Mol739,CS(=O)(=O)NC1CCN(C(=O)NCCc2ccc(F)cc2)CC1,1.83193373 |
| Mol740,Cc1cc(C)c2c(N(C)CCC(C)C)ncnc2n1,1.573683693 |
| Mol741,CN(CC(=O)NC1CC1)C(=O)C1C2CC3CC(C2)CC1C3,1.705692697 |
| Mol742,CCc1nnc(NC(=O)Cc2c(C)noc2C)s1,1.649237472 |
| Mol743,CN1CCCN(c2nc(C(F)(F)F)nc3cc4c(cc23)OCO4)CC1,1.636588184 |
| Mol744,CCn1nccc1CNc1nnc(-c2ccc(OC)cc2)o1,1.433289685 |
| Mol745,Fc1cncc(-c2cnc(NCc3ccc(Cl)c(F)c3)nc2)c1,0.505149978 |
| Mol746,O=C1CCC(=O)N1CCN1CCCCc2ccccc21,1.746244872 |
| Mol747,O=C1CC2(CCN(C(=O)NCc3ccccc3)CC2)Oc2ccccc21,0.615950052 |
| Mol748,O=C(NC1CCCC1)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,1.232487866 |
| Mol749,O=C(Cc1ccccc1F)N1CCN(c2nccn3nc4c(c23)CCCC4)CC1,1.749117662 |
| Mol750,CO[C@@H](C(=O)Nc1cc2c(C)cc(=O)oc2cc1C)c1ccccc1,1.599883072 |
| Mol751,CCC(=O)NCc1cc(C2CC2)n(C2CCCC2)n1,1.397940009 |
| Mol752,O=C(Nc1nccs1)c1c2c(nc3ccccc13)CCC2,0.831229694 |
| Mol753,CC(C)(C)c1ccc(C2=NC3(CCNCC3)NC2=O)cc1,1.653694795 |
| Mol754,O=C(CSc1ncn[nH]1)N(C1CCCCC1)C1CCCCC1,1.552424846 |
| Mol755,O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1,1.478422188 |
| Mol756,Cc1cc(C)n(-c2ccc(CNC(=O)C3CCC3)cn2)n1,1.598899887 |
| Mol757,CN1CCC(NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CC1,1.754348336 |
| Mol758,O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1,1.493876111 |
| Mol759,NC(=O)CN1CCC(Oc2cccc(F)c2)CC1,1.783975003 |
| Mol760,O=S(=O)(N1CCOCC1)N1CCN(Cc2ccccc2F)CC1,1.556543708 |
| Mol761,COc1ccc(-c2nc(C3CCN(C(=O)c4sc(C)nc4C)CC3)[nH]c2C(N)=O)cc1,1.790918195 |
| Mol762,CCn1c(SC)nnc1C1CCN(C)CC1,1.615107987 |
| Mol763,CC(=O)N1CCN(CCNC(=O)N2CCc3sccc3C2)CC1,1.746244872 |
| Mol764,CC(C)NC(=O)N1CC[C@H](NC2=Nc3cc(F)ccc3N(CC(F)F)c3ccc(Cl)cc32)C1,1.447158031 |
| Mol765,Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2)CC1,1.646403726 |
| Mol766,O=C(Nc1ccccc1-n1ccnc1)c1cccs1,1.887673552 |
| Mol767,Cc1nc2c(c(N(C)Cc3ccccc3)n1)CCN(Cc1ccccc1)C2,1.472756449 |
| Mol768,CSc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)cc1,1.709269961 |
| Mol769,Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCC(S(=O)(=O)C(C)C)CC1,1.828208614 |
| Mol770,COc1ccc(CN2CCN(c3cc(C)nc(N)n3)CC2)cc1OC,1.729002709 |
| Mol771,CCN(C(C)=O)c1ccc(C)cc1C(=O)O,1.542825427 |
| Mol772,CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2,1.542576476 |
| Mol773,CON(C)C(=O)c1cccc2c(C)c(C)[nH]c12,1.498723971 |
| Mol774,CC(C)c1nnc(-c2ccc(-c3ccccc3)nc2)n1-c1cccc2nonc12,1.727785174 |
| Mol775,O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1,1.603144373 |
| Mol776,N#Cc1ccccc1-c1ccc(-c2nccn2-c2cccnc2)o1,1.473048805 |
| Mol777,Cc1cc(CNc2ncc(C(F)(F)F)cc2Cl)no1,1.428458774 |
| Mol778,COCCNC(=O)CN1CCN(c2nccn2-c2cccc(Cl)c2)CC1,1.784331948 |
| Mol779,Cc1cc(NC(=O)CCc2c(C)nn(C)c2C)no1,1.704750904 |
| Mol780,CCCn1ncc2[nH]c(-c3cc(Cn4cncn4)c(C)cc3C)nc21,1.526468512 |
| Mol781,CCc1nnsc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1,1.508529719 |
| Mol782,OC1CCN(c2ncc(-c3cnccn3)c(-c3cccs3)n2)CC1,1.680063427 |
| Mol783,CN(CC(=O)Nc1cc(F)cc(F)c1)c1ccnc(C(N)=O)c1,1.661812686 |
| Mol784,CSc1ncccc1C(=O)Nc1ccc(N2CCCCC2=O)cc1,0.952792443 |
| Mol785,CCC1(CC)NC(=O)N(CC(=O)N2CCOCC3(CCCC3)C2)C1=O,1.802157753 |
| Mol786,O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1,1.491501766 |
| Mol787,Cc1oc(C)c(C(=O)Nc2ccn(C)n2)c1C,1.564666064 |
| Mol788,CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cn1,0.414973348 |
| Mol789,Cc1nc(C)c2c(C)c(C(=O)N(C)Cc3ccc(C)o3)sc2n1,1.574031268 |
| Mol790,Cc1cccn(Cc2cccc(C#N)c2)c1=O,1.489958479 |
| Mol791,Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1,1.791339704 |
| Mol792,Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)C1CCCCC1,1.778440684 |
| Mol793,CC(C)(O)C(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,1.464936429 |
| Mol794,CCCc1cc(N2CCc3c(nc(C(C)C)n3C)C2)n2ncnc2n1,1.751086555 |
| Mol795,CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(-n2ccnc2)nc1,1.733438027 |
| Mol796,Cc1sc(NC(=O)CN2CCOC(C3CCCO3)C2)c(C)c1C,1.784617293 |
| Mol797,Cn1ccnc1CNc1cc(Br)ccc1-n1cccn1,1.686636269 |
| Mol798,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(-c3ccccc3)cccc12,1.230448921 |
| Mol799,O=C(NCCNc1ncccc1C(F)(F)F)c1cnc2ccccn2c1=O,1.823474229 |
| Mol800,O=C(Nc1nncs1)c1cccnc1,1.646599752 |
| Mol801,CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12,1.532244644 |
| Mol802,Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)[C@H]1CCCO1)CCC2,1.507720977 |
| Mol803,Fc1ccc(F)c(-c2nc(C3CCOCC3)nn2-c2cccnc2)c1,1.545430829 |
| Mol804,Cc1nc([C@H]2CC[C@H](CNC(=O)CN3CCC(c4ccccc4)CC3)CC2)ccc1C(N)=O,1.846027675 |
| Mol805,O=C(NC1(c2ccccc2)CCC1)c1cc(C2CC2)on1,0.944482672 |
| Mol806,CN(Cc1nnc(C2CC2)n1C)C(=O)C1C2CC3CC(C2)CC1C3,1.666892211 |
| Mol807,CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F,1.634174872 |
| Mol808,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,1.479143248 |
| Mol809,COc1ccc(CCn2c(C3CC3)n[nH]c2=O)cc1,1.452553063 |
| Mol810,Cn1c(=O)n(C)c2cc(CN3CCC(c4ccc(Cc5ccccc5F)cn4)CC3)ccc21,1.752509401 |
| Mol811,O=C(NC1CC1)c1cccnc1Oc1ccccc1,1.814513952 |
| Mol812,N#Cc1ccc(CN2CC(n3cccn3)C2)cc1,1.562768543 |
| Mol813,NC(=O)Cn1ccc(-c2ccccc2)n1,1.607347777 |
| Mol814,COc1ccc(C(=O)Cn2c(=O)n(-c3ccccc3F)c3nc(C)nc(C(N)=O)c32)cc1,0.567026366 |
| Mol815,Cc1cccc(NC(=O)c2cccc3ncccc23)c1,0.685741739 |
| Mol816,CCN(Cc1ccncc1)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1O,2.061452479 |
| Mol817,O=C(O)CNc1nc(-c2ccccc2)nc2ccccc12,1.404149249 |
| Mol818,COCCS(=O)(=O)N1CCC2(Cc3ccccc3C2)C1,1.732634968 |
| Mol819,Cc1cnn(Cc2nnc(-c3ccccc3)s2)c1,1.352375495 |
| Mol820,Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1,1.461498527 |
| Mol821,O=C(NCC1CCC1)c1ccc(-n2ccnc2)nn1,1.533263517 |
| Mol822,CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1,1.263636069 |
| Mol823,COc1ccc2nc(C)c(C(=O)Nc3ccccc3N3CCCC3)cc2c1,0.924279286 |
| Mol824,Cc1nnsc1CN(C)c1ccc2cc[nH]c2n1,1.389520466 |
| Mol825,Cn1cnnc1CNc1ccccc1C#N,1.526726867 |
| Mol826,O=C(c1ccc(O)nc1)N1CCN(c2ncccn2)CC1,1.63447727 |
| Mol827,COc1ccc(NC(=O)c2snnc2C)c(OC)c1,0.564666064 |
| Mol828,Cc1ccc(F)c(N(C#N)Cc2nccn2C(F)F)c1,1.654080235 |
| Mol829,CC(=O)N1CCCN(C(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1,1.830267801 |
| Mol830,O=S(=O)(c1cn[nH]c1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,0.161368002 |
| Mol831,CN(C)c1ncn(-c2cccc(N)c2)n1,1.343605508 |
| Mol832,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1,1.221414238 |
| Mol833,c1ccc(-c2cc3c(N4CCC(c5ncc[nH]5)CC4)ncnc3s2)cc1,0.618048097 |
| Mol834,C=CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)c2cccnc2)CC1,0.602059991 |
| Mol835,Cc1ccc(-c2nc(CN3CCOCC3)n(Cc3ccc(F)cc3)n2)o1,1.461348434 |
| Mol836,COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1,1.722140125 |
| Mol837,CCC1(O)CN(c2ncnc3c2c(Br)nn3C)C1,1.691435152 |
| Mol838,Cc1cccc(NC(=O)c2ccc3ccccc3c2)n1,0.068185862 |
| Mol839,c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)[nH]c3ncnc(NCC4SCCS4)c23)cc1,0.57054294 |
| Mol840,O=C(Nc1cccc(-c2cnco2)c1)C1(c2cccc(F)c2)CCOCC1,1.626032248 |
| Mol841,CC(=O)NCC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1,1.665580991 |
| Mol842,Cn1cc(CCNC(=O)N2CCc3sccc3C2)cn1,1.601516784 |
| Mol843,Cc1cc(CCCC(=O)NC[C@H]2CC[C@H](c3ccc(C(N)=O)c(C)n3)CC2)ccc1F,0.50242712 |
| Mol844,COC1CCN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1,1.853576544 |
| Mol845,Cc1cccc(Oc2cc(CN)ccn2)c1C,1.478566496 |
| Mol846,CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12,0.785329835 |
| Mol847,Cc1ccc2c(CC(=O)N(C)Cc3nnc4n3CCC4)coc2c1C,1.736715134 |
| Mol848,CC(C)(C)c1nnnn1CC(=O)NC12CC3CC(CC(C3)C1)C2,1.412292509 |
| Mol849,O=C(O)c1ccccc1-n1cnc(CN2CCCC2)c1,1.588383768 |
| Mol850,COc1cccc(CC(=O)Nc2ccc3nc(C)sc3c2)c1,1.718833718 |
| Mol851,Cc1cc(C)c(CC(=O)N2CC(CO)C2)c(C)c1,1.665956029 |
| Mol852,CC(C)C[C@@H](CO)n1cc(-c2ccccc2Cn2cccn2)nn1,1.230704314 |
| Mol853,Cc1sc2nc(CN3CCCC3)nc(N)c2c1C,1.649821463 |
| Mol854,CC(C)c1nc2c(n1C)CCN(c1ncnc3ccccc13)C2,1.72794771 |
| Mol855,Cc1nn(CCC#N)c(C)c1Oc1ccccc1O,1.564547712 |
| Mol856,OC1(Cn2nnc(-c3cccnc3)n2)CCCCC1,1.399154334 |
| Mol857,Cc1cc(C(=O)NCCc2ccccn2)c(C)s1,1.613630435 |
| Mol858,Nc1ccc(Oc2ccccc2F)nc1,1.408070286 |
| Mol859,Cn1c(-c2ccc(F)cc2)cnc1NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21,1.78724788 |
| Mol860,Cc1nc(CN2C(=O)CN(C3CCCC3)C2=O)nc2ccccc12,1.633165354 |
| Mol861,CCOC(=O)c1cccnc1-c1cccc2ccnn12,1.660675788 |
| Mol862,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)Nc3ccccc3)C1)CC2,1.8162413 |
| Mol863,NC(=O)c1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,1.0 |
| Mol864,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2,0.848189117 |
| Mol865,O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.751279104 |
| Mol866,CCCS(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.738780558 |
| Mol867,O=C(CN1CCCC(c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1,0.835690571 |
| Mol868,CC(C(=O)Nc1ccc(C(N)=O)cc1)N1CCCC(c2nc3ccccc3o2)C1,1.751663946 |
| Mol869,Cc1ccc(NC(=O)CN2CCCC(c3nc4ccccc4o3)C2)cc1C,1.0 |
| Mol870,Cc1nc(O)cc(C2CN(C3CCCCC3)C2)n1,1.617210095 |
| Mol871,CN(C(=O)C1CCN(c2ncccn2)CC1)C1CCCCCCC1,1.69399061 |
| Mol872,CCS(=O)(=O)N1CCC(C(=O)N(C)C2CCCCCCC2)CC1,1.710540448 |
| Mol873,O=C(CCCc1cc(Cl)sc1Cl)N1CC[C@H](O)C1,1.699143687 |
| Mol874,COc1ccnc(N2CC(n3nc(C)cc3C)C2)n1,1.579326204 |
| Mol875,Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)COc3ccccc3F)C2)n1,1.745465169 |
| Mol876,COCCOCc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1,1.153509989 |
| Mol877,Cc1cc(C(=O)N2CCOC(C)(C)C2)cc(C)c1OCc1cccnc1,1.688864568 |
| Mol878,COc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c1,1.0 |
| Mol879,Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NC3CCOCC3)C2)cc1,1.733598461 |
| Mol880,COc1ccc(CNC(=O)CCCOc2ccc(C(C)=O)cc2)cc1,1.305566314 |
| Mol881,CCc1ccc(-c2nccn2CC(=O)Nc2ccc(C)cc2F)nc1,1.451325808 |
| Mol882,Cc1cc(NC(=O)C2CCN(c3ccncc3Cl)CC2)no1,1.462397998 |
| Mol883,Fc1cccc(CN2CCN(c3ncccn3)CC2)c1,1.579783597 |
| Mol884,CCN(Cc1ccccc1)C(=O)c1ccc(O)cc1O,1.669316881 |
| Mol885,CCN(Cc1ccccc1)C(=O)c1cccnc1N,1.564666064 |
| Mol886,Cc1nc(-c2cc(C)on2)n(CCc2ccccc2)n1,1.332842267 |
| Mol887,CCCNC(=O)c1ccnc(N(C)C)c1,1.580924976 |
| Mol888,O=C(NCC(=O)N1CCN(C2CC2)CC1)c1ccccc1,1.794488047 |
| Mol889,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,1.068185862 |
| Mol890,CCN(C(=O)c1cc(NC(C)=O)ccc1F)C1CCCC1,1.688775655 |
| Mol891,Cc1ccccc1C(=O)Nc1nc(C)c(C)s1,1.482158695 |
| Mol892,CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O,1.649626887 |
| Mol893,COc1ccccc1C(=O)Nc1cccc(C#N)c1,1.519040039 |
| Mol894,CO[C@H]1COCCN(C(=O)c2cccnc2)C1,1.541579244 |
| Mol895,CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1,1.527114112 |
| Mol896,Cn1ccc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n1,1.627263417 |
| Mol897,CC(C)c1nnc(NCc2ccn(C)c2)o1,1.252367514 |
| Mol898,COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1,1.110926242 |
| Mol899,CC(C)N1CCC(O)(c2ccccc2F)CC1,1.617734035 |
| Mol900,CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1C#N,1.606703741 |
| Mol901,O=C(CN1CCc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1,1.720159303 |
| Mol902,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccn2)CC1,1.748962861 |
| Mol903,CC1Cc2ccccc2N1C(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.738780558 |
| Mol904,Cc1ccc(NC(=O)C(C)(C)c2ccccc2)nc1,1.486005186 |
| Mol905,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1,0.916980047 |
| Mol906,COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O)c(C=O)nc32)ncc1C#N,1.300812794 |
| Mol907,CC(C)(C(=O)NCc1ccccn1)c1ccccc1,1.889805752 |
| Mol908,O=C(Nc1ccccc1-n1ccnc1)c1ccc(F)cc1,1.783689236 |
| Mol909,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(NC(=O)c2cccs2)cc1,1.734559822 |
| Mol910,CC(C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1,1.408239965 |
| Mol911,COc1ccc(C(=O)N(C)Cc2nccn2C)c(F)c1,1.720242018 |
| Mol912,CC(C)CN1C(=O)C(=O)N(Cc2ccccn2)C1=O,1.593618308 |
| Mol913,CON(C)C(=O)CCc1c(C)nn(C)c1C,1.534026106 |
| Mol914,CN1CCN(c2ncncc2-c2nc(-c3ccccc3)no2)CC1,1.751048035 |
| Mol915,O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1,1.734399743 |
| Mol916,COc1ccc(C)cc1-c1cccnc1O,1.515873844 |
| Mol917,N#Cc1cccc(-c2ccc3[nH]ccc3c2)n1,0.562292864 |
| Mol918,Cc1ccc(-c2noc3nc(C)cc(C(=O)O)c23)cc1,1.871047261 |
| Mol919,O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1,1.610660163 |
| Mol920,O=C(c1cccs1)N1C[C@@H]2CCCN(C(=O)c3cccs3)[C@@H]2C1,1.800235789 |
| Mol921,COc1ccc(C)cc1-n1ccc(C(=O)NC(C)C)n1,1.552668216 |
| Mol922,CC(C)c1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1,1.65079304 |
| Mol923,CN1CCN(C(=O)C2(NC(=O)c3ccc(C(F)(F)F)cc3)CCCC2)CC1,1.88149878 |
| Mol924,CN(CCc1ccccn1)C(=O)Nc1nncs1,1.658869592 |
| Mol925,CC1CCN(Cc2ccc(NC(=O)c3ccccn3)cc2)CC1,1.610660163 |
| Mol926,COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c(OC)c1,1.628899564 |
| Mol927,O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1,1.673020907 |
| Mol928,CN(C)C(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1,1.666985718 |
| Mol929,Cc1cccc(NC(=O)CN(C)c2ncccc2F)n1,1.566201719 |
| Mol930,CCN(CC)C(=O)c1ccc(NC(C)=O)cc1,1.539076099 |
| Mol931,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,1.50758604 |
| Mol932,Cc1ccc(C)c(S(=O)(=O)N2CCCN(CCn3cccn3)CC2)c1,1.483872454 |
| Mol933,CCOCC(=O)N1CCC2(CCc3ccccc3O2)CC1,1.533263517 |
| Mol934,CCNC(=O)N1CCC2(CCc3ccccc3O2)CC1,1.824321125 |
| Mol935,CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1,1.653115993 |
| Mol936,CCc1ccc(S(=O)(=O)NCc2ccnc(N3CCCC3)n2)cc1,1.830396176 |
| Mol937,Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1,1.882524538 |
| Mol938,Fc1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1,1.598024072 |
| Mol939,Cc1ccccc1-n1nc(C(C)(C)C)cc1N,1.651374944 |
| Mol940,COc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)c1,1.848804701 |
| Mol941,Cc1cccn(Cc2cccnc2)c1=O,1.672097858 |
| Mol942,c1nc(NC2CCN(C3CC3)CC2)c2sccc2n1,1.749890841 |
| Mol943,Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1,1.514547753 |
| Mol944,O=C(NCc1nncn1-c1ccccc1)C1CCCC1,1.636086515 |
| Mol945,Cc1nccn1CCCN1C(=O)SC(C)(C)C1=O,1.465828815 |
| Mol946,Cc1ccc(-c2ccccc2-c2nc3c(cnn3C3CCN(C)CC3)[nH]2)o1,1.606918526 |
| Mol947,Cc1ccc(C)c2c(O)cc(CN3CC(c4ccccn4)C3)nc12,1.765817515 |
| Mol948,COCc1nc(-c2cc(F)ccc2F)c(C)s1,0.556302501 |
| Mol949,Cn1ncc2c(Oc3cccc(C(C)(C)C)c3)ncnc21,0.591064607 |
| Mol950,COc1ccc(-c2noc([C@@H]3CCCN3Cc3cccnc3)n2)cn1,1.418301291 |
| Mol951,N#Cc1ccccc1Cn1nnc(-c2ccccc2)n1,1.058805487 |
| Mol952,Cc1cccn(Cc2ccccc2F)c1=O,1.450249108 |
| Mol953,N#CCCN(C(=O)c1sccc1C#N)C12CC3CC(CC(C3)C1)C2,0.892094603 |
| Mol954,CN(Cc1ccccn1)c1nc2ccccc2o1,1.577951128 |
| Mol955,O=C(NCC#CCN1CCc2ccccc2C1)NCc1ccc(F)cc1,1.524655712 |
| Mol956,Cc1ccc(C(=O)NCC#Cc2ccccc2)cn1,1.647969458 |
| Mol957,COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3cnccn23)cc1,1.670802284 |
| Mol958,Cc1cc(C)nc(NC(=O)N(C)C2CCC2)c1,1.615213335 |
| Mol959,CCCCN(C)C(=O)Nc1cc(C)ccn1,1.396548038 |
| Mol960,Cn1cncc1CCNC(=O)[C@H]1CC1(C)C,1.459693976 |
| Mol961,CC(C)(C)C(=O)N1CCC(NS(C)(=O)=O)CC1,1.754730469 |
| Mol962,CC1(C)Cc2cc(CN3CCC4(CC3)NC(=O)N(Cc3ccccc3)C4=O)ccc2O1,1.560504415 |
| Mol963,Cc1oc(C)c(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1C,1.790636962 |
| Mol964,c1ccc(CCc2n[nH]c(-c3cccc4cnccc34)n2)cc1,1.62024019 |
| Mol965,COc1cc2cc(N)c(C3CCN(C(=O)C(C)(C)C)CC3)nc2cc1OC,1.72427587 |
| Mol966,Nc1nncc(-c2ccccc2OC(F)F)n1,1.590061231 |
| Mol967,Cc1cccc(C(=O)N(C)CCc2cnccn2)c1,1.48258777 |
| Mol968,O=C(C1CCCN(Cc2cc3c(cc2O)OCO3)C1)N1CCOCC1,1.746244872 |
| Mol969,O=C(NCc1ncc(-c2ccccc2)o1)C1CCCCC1,1.880298991 |
| Mol970,CC1CCN(CC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)CC1,0.715167358 |
| Mol971,CNC(=O)Cn1ccc2cc(OC)ccc21,1.600646236 |
| Mol972,C#CCNC(=O)c1cc(C(C)C)nn1CC,1.454082271 |
| Mol973,CCOC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1,1.712902125 |
| Mol974,Cc1cccc2sc(NC(=O)C(C)(C)C)nc12,1.354684554 |
| Mol975,Cc1cccc(NC(=O)c2ccccc2-c2ccccc2)n1,1.520221436 |
| Mol976,Cc1nc(N2CCc3c(ncn3C)C2)c2c(C)c(C)sc2n1,1.676967814 |
| Mol977,Cc1sc(-c2ccccn2)nc1-c1ccc(NC(=O)C(C)C)cc1,0.149219113 |
| Mol978,Cc1c(C(=O)NC2CCN(CC3CCCCC3)CC2)cnn1C,1.689663965 |
| Mol979,COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC,1.678062905 |
| Mol980,CC(=O)N1CCC(C(=O)Nc2nccs2)(c2ccccc2)CC1,1.794278866 |
| Mol981,O=C(NC[C@H]1CCN(c2ccccc2)C1)N1CCc2sccc2C1,1.226599905 |
| Mol982,O=C(NCC1=CCCN(Cc2cc(F)ccc2Cl)C1)c1ccco1,1.5774918 |
| Mol983,c1ccc(Cc2nnc(NC3CCOCC3)s2)cc1,1.530967682 |
| Mol984,Cc1ccc(CCNC(=O)c2ccncc2)o1,1.466422722 |
| Mol985,CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccnc(Cl)c3)n2)c(CC2CC2)n1,1.341236623 |
| Mol986,NC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1,1.678973376 |
| Mol987,O=C(CCc1cc2ccccc2o1)N1CCN(c2cnccn2)CC1,1.744684063 |
| Mol988,COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(-c4ccc(N)nc4)cn3)CC2)c1,1.672282625 |
| Mol989,CC1(C)COCCN1Cc1cnn(-c2ccccc2)n1,1.168497484 |
| Mol990,CN(CC(=O)Nc1ccncc1)C1CCCC1,1.610553705 |
| Mol991,CCn1cc(NC(=O)c2ccccc2C)cn1,1.507451061 |
| Mol992,CC(C)[C@H](Nc1ncc(Cl)cn1)C(=O)N1CCCC1,1.559068334 |
| Mol993,Cc1sc2nc(CN3CCOCC3)nc(N3CCN(c4ccncc4)CC3)c2c1C,1.884058647 |
| Mol994,COc1ccccc1-c1nn(-c2ccccc2)cc1CO,1.295127085 |
| Mol995,CCc1nc(CN2C(=O)COc3ccc(F)cc32)cs1,1.320354033 |
| Mol996,CCCCn1nc(-c2ccc(C)o2)nc1CNC,1.467015818 |
| Mol997,CC(=O)NCCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1,1.652052848 |
| Mol998,NCc1cccnc1OCc1ccccc1,1.406369835 |
| Mol999,Fc1ccc(-n2nc(C3CCOCC3)nc2-c2cn[nH]c2)c(F)c1,1.412964272 |
| Mol1000,CC(C)(C)c1nc(Cn2nnc3ccccc3c2=O)no1,1.5402043 |
| Mol1001,O=C(CN1CCOC(c2ccc(F)cc2)C1)Nc1ccccc1OC(F)F,1.36361198 |
| Mol1002,COc1ccc(NC(=O)C(C)N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,1.27989498 |
| Mol1003,Cc1ccc(C(=O)N(C)C)cc1NS(C)(=O)=O,1.701395269 |
| Mol1004,CS(=O)(=O)N1CC(c2n[nH]c3ncccc23)C1,1.522574633 |
| Mol1005,CN1C(=O)COc2ccc(NC(=O)CCN3C(=O)COc4ccc(Cl)cc43)cc21,0.176091259 |
| Mol1006,N=C(N)N/N=C/c1c(Cl)cccc1Cl,1.701481636 |
| Mol1007,CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O,1.173768823 |
| Mol1008,Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cn[nH]c1,0.509202522 |
| Mol1009,O=C1N=C2C=CC=CN2C12Cc1ccccc1C2,1.572871602 |
| Mol1010,c1cc2cc[nH]c2c(CC2CN(C3CCCC3)C2)n1,1.268811904 |
| Mol1011,COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4)c23)cc1,0.892651034 |
| Mol1012,Cc1n[nH]c(C)c1Cc1ccc(NCCC(C)C)cc1,1.167612673 |
| Mol1013,N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1,1.60498163 |
| Mol1014,O=C1Oc2nc3cc4c(cc3cc2CN1CCN1CCOCC1)OCCO4,1.905903766 |
| Mol1015,CC(C)(C)c1ccc(=O)n(CC2CN(CC3(O)CCCC3)C2)n1,1.660391098 |
| Mol1016,O=c1ccc(C2CC2)nn1CC1CN(CC2(O)CCCC2)C1,1.720903171 |
| Mol1017,Cc1nnc(NCc2cccnc2)c2ccccc12,1.476106717 |
| Mol1018,Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12,1.634678752 |
| Mol1019,CCCCc1c(C)[nH]c2nc(N(Cc3cccs3)C(C)=O)nn2c1=O,1.591064607 |
| Mol1020,O=c1c2c(nc3ccccn13)CCN(S(=O)(=O)C1CCCCC1)C2,1.521661015 |
| Mol1021,CN1CCC(NC(=O)COc2ccc(C#N)cc2)CC1,1.546295835 |
| Mol1022,CC(C)c1nc(O)c2nnn(C[C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2n1,1.64246452 |
| Mol1023,O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)N1CCC1,1.755798657 |
| Mol1024,CNC(=O)c1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1,1.360404055 |
| Mol1025,CN(C(=O)c1cncc(F)c1)c1cccc2ncccc12,1.790777601 |
| Mol1026,Cc1ccc(NS(C)(=O)=O)c(C(=O)N(C)c2ccc3ccccc3c2)c1,1.735439203 |
| Mol1027,COc1ccc(-c2cn3c4ccccc4nc3n2CCO)cc1,1.672282625 |
| Mol1028,Cc1ccc(C(=O)NCCc2csc(C)n2)cn1,1.606381365 |
| Mol1029,O=C(NCCc1ccccc1)c1cnccn1,1.771293443 |
| Mol1030,CN(C)C(=O)OCCN1CCC(c2c[nH]c3ncccc23)CC1,1.698535493 |
| Mol1031,CN(Cc1ccc(Br)o1)C(=O)CN1CCCC1=O,1.845284126 |
| Mol1032,Cc1nc(CC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(NC2CCCC2)n1,1.781539969 |
| Mol1033,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cccs4)C2)C3)c1,1.689308859 |
| Mol1034,CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(Cn2ccnc2)c1,1.789580712 |
| Mol1035,Cc1cnc(NCc2ccccc2-n2ccnc2)nc1N(C)C,1.717836867 |
| Mol1036,COc1ccc2ccccc2c1CNC(=O)c1cnc(C2CC2)nc1,0.709269961 |
| Mol1037,CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)cc1,1.574031268 |
| Mol1038,COc1ccc(-c2ccc(CN(CCN3CCOCC3)Cc3cccnc3)cc2)cc1,1.800442121 |
| Mol1039,COc1ccc(C2(NCc3cccc4ncccc34)CC2)cc1,1.744449457 |
| Mol1040,CC(=O)c1ccc(OCCCCN2CCCC2)cc1,1.559667278 |
| Mol1041,O=C(O)c1cc(/C=C/c2csnn2)nc2ccccc12,1.195899652 |
| Mol1042,CSCc1csc(NC(C)=O)n1,1.444981112 |
| Mol1043,CN(C)c1cc(CNc2ccc(C#N)cn2)ccn1,1.662568967 |
| Mol1044,CC(C)(C)n1ncc(C(=O)N2CCCn3ncnc32)c1C(F)(F)F,1.664453929 |
| Mol1045,c1cnc(-n2cccn2)c(CNC2CCCC2)c1,1.4827307 |
| Mol1046,CCc1nnc(Oc2cccnc2)c(C#N)c1CC,1.484869033 |
| Mol1047,O=C(CSc1nnc(-c2cccs2)[nH]1)N1CCCCCC1,1.441066407 |
| Mol1048,Cc1nc(N(C)C)nc(C)c1NC(=O)C1CCCCC1,1.693199145 |
| Mol1049,COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3C)C2)o1,1.568788212 |
| Mol1050,Cc1ccc2oc([C@H]3CCN(Cc4cccs4)C3)nc2c1,1.419955748 |
| Mol1051,CCc1cnc(C)nc1-c1ccc(-c2ccn[nH]2)cc1,1.316808752 |
| Mol1052,O=C(Nc1ccc(N2CCOCC2)nc1)N1CCc2sccc2C1,1.410777233 |
| Mol1053,Cc1cn(CCN2CCN(c3ccccc3-c3cc(C#N)cc(C(=O)NCCCN4CCCC4)c3)CC2)c2ccccc12,1.501059262 |
| Mol1054,CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1.CS(=O)(=O)O,1.683047038 |
| Mol1055,CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n21,1.7930916 |
| Mol1056,O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2nc(Cl)ccc2Cl)CC1,1.790144365 |
| Mol1057,COc1ccc(F)cc1CN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.779596491 |
| Mol1058,O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1,1.675778342 |
| Mol1059,CC(=O)Nc1cc(CCC2CCNCC2)ccn1,1.707399831 |
| Mol1060,CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,1.8409212 |
| Mol1061,O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1,1.487138375 |
| Mol1062,CC(C)(C)NC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O,0.779596491 |
| Mol1063,Cc1ccccc1CSc1ccc(-c2ccccn2)nn1,0.243038049 |
| Mol1064,CC(C)c1noc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1,1.72427587 |
| Mol1065,O=C(c1ccccc1)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1,1.794488047 |
| Mol1066,CCc1cc(N(C)Cc2ccc(N)nc2)nc(C)n1,1.562887381 |
| Mol1067,CCC1(O)CN(c2ncccc2C#N)C1,1.356025857 |
| Mol1068,Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1,1.788804493 |
| Mol1069,O=C1CC[C@H](O)[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1,2.07371835 |
| Mol1070,CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,1.546295835 |
| Mol1071,CC(C)(CO)NCCCCn1c2ccccc2c2ccccc21,1.501880494 |
| Mol1072,Cn1c(=O)n(C2CCCC2)c(=O)c2c(F)cccc21,1.41447195 |
| Mol1073,Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,1.06069784 |
| Mol1074,Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2,1.726727209 |
| Mol1075,Cc1ccc(CNC(=O)c2cccnc2)n1C,1.608526034 |
| Mol1076,CN1CCc2nc(NC(=O)c3cncn3-c3ccccc3)sc2C1,1.63748973 |
| Mol1077,Cc1ccc2cccc(OCC(=O)N(C)c3ccccc3)c2n1,1.740125737 |
| Mol1078,C=CCn1cnc2c(Cl)cc(-c3ccc(C(=O)NC4CC4)o3)cc21,1.520745472 |
| Mol1079,CCN1C(=O)CC[C@H](C(=O)N2CCc3cc(F)cc(C)c3C2)[C@H]1c1ccncc1,1.846646329 |
| Mol1080,FC(F)(F)COc1ccc(CN2CCc3c(cnn3-c3ccccc3)C2)nn1,1.716670976 |
| Mol1081,COc1ccccc1CC(=O)NC1CCN(C)CC1,1.635282638 |
| Mol1082,CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1,1.639984248 |
| Mol1083,Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,1.560862695 |
| Mol1084,Fc1ccccc1CNc1nc(-c2ccccc2)no1,0.545307116 |
| Mol1085,CC(=O)NC1(C(=O)N2CCCN(c3cccnn3)CC2)CCCCC1,1.683587318 |
| Mol1086,CNC(=O)c1cccc(Oc2ncnc3c2CN(C)CC3)c1,1.670987603 |
| Mol1087,C#CCN1CCC[C@H]1C(=O)Nc1cnn(-c2ncccn2)c1,1.653983907 |
| Mol1088,N#Cc1ccccc1N1CCC(N)CC1,1.738225448 |
| Mol1089,N#Cc1ccc(Cn2cncn2)c(F)c1,1.42373725 |
| Mol1090,Fc1cccc(Cl)c1CNCCc1c[nH]c2ccccc12,1.683767261 |
| Mol1091,CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1,1.589837943 |
| Mol1092,Cn1cnnc1CCn1ccnc1-c1cc2ccccc2s1,1.517855419 |
| Mol1093,CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc(C#N)c3)C3CCN(CCC4CCCC4)CC3)cc21,0.267171728 |
| Mol1094,Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cn1,1.656002321 |
| Mol1095,CC(C)c1noc(-c2ccc(N(C)Cc3cccnc3)nc2)n1,1.563006187 |
| Mol1096,COc1ccc(-c2nc(CN3CCC[C@H](O)C3)no2)cc1,1.566201719 |
| Mol1097,CCc1nc(NC(=O)c2ccccc2F)sc1C,1.361916619 |
| Mol1098,Cc1ccc(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1,1.112269768 |
| Mol1099,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1,1.484299839 |
| Mol1100,O=C(O)c1ccccc1-c1ccc(CN2CCCCC2)cc1,1.963410016 |
| Mol1101,CN1CC(=O)N(CCCC(=O)Nc2cccc(C#Cc3cccs3)c2)C1=O,1.635483747 |
| Mol1102,O=C(CCc1ccco1)Nc1ccccc1OC(F)F,1.649626887 |
| Mol1103,Cn1cc(C(=O)NCCc2c[nH]c3ccccc23)c(-c2cccnc2)n1,1.750122527 |
| Mol1104,Cc1noc(C)c1CCC(=O)Nc1cccnc1,1.745933158 |
| Mol1105,CCCN1CCCN(c2ncccc2C#N)CC1,1.445136969 |
| Mol1106,CSCc1c(C(=O)NC(C)C)oc2ccccc12,1.445604203 |
| Mol1107,Fc1ccc(F)c2c(NCc3ccc(N4CCOCC4)nc3)ccnc12,1.645225712 |
| Mol1108,CCOc1ccccc1CNCCc1c[nH]c2ccccc12,1.597804842 |
| Mol1109,COc1cc(CNCCN2CCOCC2)cc(Cl)c1OCc1ccccc1,1.728434951 |
| Mol1110,COc1ccncc1NCc1ccc2c(c1)OCCO2,1.492620722 |
| Mol1111,O=c1c2cccn2c2ccccc2n1CCCN1CCC(c2ccc(Cl)cc2)CC1,1.2955671 |
| Mol1112,Cn1cc(CCNC(=O)N2CCCc3c(F)cccc32)cn1,1.62838893 |
| Mol1113,Cc1ccc(-n2ccnc2-c2ccoc2)c2cccnc12,1.297979244 |
| Mol1114,O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1,1.591064607 |
| Mol1115,Clc1ccccc1CNCc1ccc2c(c1)OCCO2,1.389520466 |
| Mol1116,Cc1cccc(-c2nc(CN(Cc3cnn(C)c3)C(C)C)c(C)o2)c1,1.331427297 |
| Mol1117,O=C(Cc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1,1.464638559 |
| Mol1118,COc1ccc(NC(=O)CN2CCC(c3cc(-c4cnc(N)nc4)cc(C)n3)CC2)cc1,1.628286731 |
| Mol1119,Cc1ccc(C(=O)Nc2ccccc2C(C)(C)C)cn1,1.50501424 |
| Mol1120,c1ccc(-c2nsc(N3CCCN(c4nccs4)CC3)n2)cc1,1.471438407 |
| Mol1121,Cc1nc(N)c2c(C(F)(F)F)cc(C3CCN(C(=O)Cc4ccc(F)cc4)CC3)nc2n1,1.775537635 |
| Mol1122,CCCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.547774705 |
| Mol1123,Cc1nc2cc(NC(=O)CCc3c(C)noc3C)ccc2o1,1.592509848 |
| Mol1124,CN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F,1.548389418 |
| Mol1125,O=C(CCc1ccc2c(c1)OCO2)Nc1cccc2cnccc12,1.650501795 |
| Mol1126,O[C@@H]1CO[C@H]2C[C@@H]1Nc1c(Cc3ccccc3)cccc12,1.476541809 |
| Mol1127,Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)c1-n1cnnn1,0.436162647 |
| Mol1128,Cc1cc(F)ccc1CC(=O)N[C@@H]1CCOC[C@H]1OCCO,1.679064318 |
| Mol1129,COc1ccc(CCC(=O)N2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1,1.921009802 |
| Mol1130,Cc1ccc(-n2c(S)nnc2-c2ccc(O)cc2)c(C)c1,1.461348434 |
| Mol1131,Cc1nccn1-c1cncc(N2CCN(CC3CCCC3)C(=O)C2)n1,1.696356389 |
| Mol1132,N#Cc1c(O)nc2scc(-c3ccc(-c4ccccc4O)cc3)c2c1O,1.769377326 |
| Mol1133,O=C1CN(C(=O)c2ccc(F)cc2)CCN1,1.672190251 |
| Mol1134,CN(CC(=O)NC1(C#N)CCCC1)c1ccccc1,1.667639706 |
| Mol1135,CCOc1ccc(CC(=O)NCCn2cccnc2=O)cc1,1.835817354 |
| Mol1136,Cc1ccc(C)c(S(=O)(=O)N2CCCN(C3CCC3)CC2)c1,1.762453482 |
| Mol1137,COc1c(N)ncnc1N1CCCC(C)(C)CC1,1.583878599 |
| Mol1138,COc1ccc(-c2nnc(-c3ccccc3)o2)cc1OC,0.63748973 |
| Mol1139,Cc1nccc(C2(C)CCN(CC(N)=O)CC2)n1,1.77633791 |
| Mol1140,Cc1cc2ncn(CC(=O)NC(C)(C)C)c2cc1C,1.592176757 |
| Mol1141,O=C1CCCN1c1ccc(NCc2ccccn2)nc1,1.735279448 |
| Mol1142,Cc1csc(N2CCN(Cc3ccc(OCC(F)(F)F)nc3)CC2)n1,1.491781776 |
| Mol1143,CNc1nc(-c2cc(OC)cc(OC)c2)ncc1F,1.408748606 |
| Mol1144,COc1ccccc1-c1nc(C(=O)O)cs1,1.737192643 |
| Mol1145,Cc1ccc(CC(=O)Nc2nc(C)no2)cn1,1.631545228 |
| Mol1146,CCCn1c(=O)n(Cc2ccc(C#N)cc2F)c2ccccc21,1.168497484 |
| Mol1147,OCCCCCn1cc(-c2ccccc2-c2ccco2)nn1,1.04453976 |
| Mol1148,Cc1ccc(C2=NC3(CCN(Cc4ccc(F)cc4)CC3)NC2=O)cc1,1.104487111 |
| Mol1149,O=C(NCc1ccccn1)c1ccc(F)cc1Cl,1.593286067 |
| Mol1150,Nc1ccc(CC(=O)Nc2ccccc2F)cc1,1.732071941 |
| Mol1151,COc1ccc(CN(C)C(=O)Nc2ccccc2)cc1F,1.66133934 |
| Mol1152,Cc1ccc(-n2cc(C(=O)NCCN(C)C)nn2)cc1C,1.453624074 |
| Mol1153,CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1,1.746089043 |
| Mol1154,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2,1.9364132 |
| Mol1155,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,1.863857962 |
| Mol1156,Cc1nccc(-c2cccc(NCc3cc(C)on3)c2)n1,1.668385917 |
| Mol1157,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl,1.041392685 |
| Mol1158,Cc1ccc(C)c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1,1.077367905 |
| Mol1159,C/C=C/CC(=O)N1CCC(c2cc(Cc3ccccc3)n[nH]2)CC1,1.38219721 |
| Mol1160,O=C(NC1=NS(=O)(=O)c2ccccc21)c1cc(-c2ccc(F)cc2)no1,1.501880494 |
| Mol1161,Cc1cc(CN2CCN(c3ncccn3)CC2)on1,1.564547712 |
| Mol1162,CCc1nnc2n1CCN(C(=O)c1ccccc1Oc1cccnc1)C2,1.637289548 |
| Mol1163,CNC(=O)c1cc(C2CCN(C)CC2)ncn1,1.511883361 |
| Mol1164,CN1CCc2ncnc(N3CCCN(c4nccs4)CC3)c2C1,1.635986112 |
| Mol1165,Cc1cc(N(C)C)nc(N(C)Cc2csc(C)n2)n1,1.675319983 |
| Mol1166,Cc1cccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)c1,1.868526887 |
| Mol1167,CCc1cnc(CN2C(=O)NC3(CCC3)C2=O)o1,1.510142699 |
| Mol1168,Cc1cnn(C2CN(CC3(O)CCCCC3)C2)c1,1.5132176 |
| Mol1169,CC1(C)CCN(C(=O)NCCOc2cccnc2)C1,1.599446376 |
| Mol1170,CN(Cc1cscn1)c1nc2c(cc1C#N)CCC2,1.526339277 |
| Mol1171,N#CCSCC(=O)NC1CCCCCC1,1.651181062 |
| Mol1172,Cc1cc(CNc2cc(C(=O)N(C)C)ccn2)sc1Br,1.674861141 |
| Mol1173,CCC(Nc1cnn(C)c1)c1ccc2c(c1)OCCO2,1.57634135 |
| Mol1174,CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1,1.544440137 |
| Mol1175,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,0.691081492 |
| Mol1176,Brc1cc2c(cc1Cn1cncn1)OCCCO2,1.536432176 |
| Mol1177,COCCNc1ncnc2ccsc12,1.610127613 |
| Mol1178,O=C(c1ccccn1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1,1.476396827 |
| Mol1179,CN1CCN(c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)cc2)CC1,1.005180513 |
| Mol1180,Cc1cnn(Cc2nc(Cn3cccn3)no2)c1,1.556181847 |
| Mol1181,COc1ccccc1CC(=O)Nc1ncc(C)s1,0.819543936 |
| Mol1182,CCCN(CC)c1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1,1.684845362 |
| Mol1183,Cc1c(Cl)cccc1NC(=O)C(C)N1CCCN(c2nccs2)CC1,1.683047038 |
| Mol1184,Cc1nc(N2CCOc3ccccc3C2)c2cnn(C)c2n1,1.631849462 |
| Mol1185,COCC(=O)Nc1cccc(-n2cccc2)c1,1.706632451 |
| Mol1186,CO[C@H]1CC[C@@H](C(=O)c2ccc3nc4c(cc3c2)CCCO4)CC1,1.648457594 |
| Mol1187,Cc1cnc(-c2nc(NCc3ccccn3)ncc2-c2onc(C)c2C)cn1,1.771219902 |
| Mol1188,CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1,1.344392274 |
| Mol1189,CCNC(=O)c1ccc(-c2cc(C)cc(OC)c2OC)nc1,1.541204691 |
| Mol1190,Cc1ccc(C)c(OCCN(C)C(=O)c2ccc3c(c2)nnn3C)c1,1.465828815 |
| Mol1191,CC(C)c1nc(NCc2cccnc2)n(C)n1,1.581608366 |
| Mol1192,COc1ccc(N2CCCN(CC3CCN(C(=O)C4CC4)CC3)CC2)cc1,1.775974331 |
| Mol1193,CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1,1.691965103 |
| Mol1194,O=C(CSC1CCCC1)NCCn1nc2c(cc1=O)CCCC2,1.783832143 |
| Mol1195,O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccncc1,1.662285516 |
| Mol1196,COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)cn1,1.40654018 |
| Mol1197,Cc1cc(C)c2c(c1)CCCN2C(=O)c1ccc(-c2nnc(C)o2)cc1,1.717670503 |
| Mol1198,CCC(=O)N(C)c1ccccc1C(=O)O,1.561339941 |
| Mol1199,CCc1cnc(CNC(=O)N2CCC(n3cncn3)CC2)s1,1.694078462 |
| Mol1200,C#CCOc1ccc(C(=O)NN2CCCC2=O)cc1,1.402948829 |
| Mol1201,COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2CN2CCCC2)cc1,1.610660163 |
| Mol1202,Cc1ccccc1N(CC(=O)N(C)C)S(C)(=O)=O,1.669595781 |
| Mol1203,Cc1ncsc1C(=O)N1C[C@@H]2CCCN(C(=O)c3scnc3C)[C@@H]2C1,1.880241776 |
| Mol1204,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,1.004321374 |
| Mol1205,COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1,1.188647296 |
| Mol1206,O=C(NCC1CC1)c1ccc(-n2ccnc2)nc1,1.654946227 |
| Mol1207,Fc1cccc(OC2CCN(Cc3nc4ccccc4[nH]3)CC2)c1,1.739255803 |
| Mol1208,O=C1NCC2(C/C=C/CCOc3ccccc31)CCN(C(=O)c1ccc3[nH]nnc3c1)CC2,1.388101202 |
| Mol1209,Cc1ccc(CN(C)c2ncnc3c2cnn3C)o1,1.612041745 |
| Mol1210,O=C(CN1CCC(c2ccccc2)CC1)N1CCNC1=O,1.690727544 |
| Mol1211,N#CC1(NC(=O)CN2CCOCC2)CCCCCC1,1.653791187 |
| Mol1212,O=C(CCCc1nc2ccccc2[nH]1)N1CCCC1,1.553761698 |
| Mol1213,C=CCN(Cc1cccnc1)c1nc(C)nc2sccc12,1.65829765 |
| Mol1214,CN(C)C(C)(C)CNc1ncnc2ccccc12,1.59206567 |
| Mol1215,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,1.632693441 |
| Mol1216,COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)[C@@H](C)C2)c1,1.643452676 |
| Mol1217,Cc1nc(N(C)C)cc(C2(C)CCNCC2)n1,1.653598382 |
| Mol1218,O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,1.11058971 |
| Mol1219,Cc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3F)nn2)cc1,1.056904851 |
| Mol1220,Cc1nnc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)s1,0.130333768 |
| Mol1221,N#CCCN(C(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2,0.857332496 |
| Mol1222,CON(C)C(=O)Cc1c(C)[nH]c2ccccc12,1.724029973 |
| Mol1223,Cc1cccc(Oc2ncccc2N)c1C,1.656385719 |
| Mol1224,CC(C)c1cnc(COc2ccc(Br)nc2)o1,1.61992771 |
| Mol1225,CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1,0.644438589 |
| Mol1226,CN1CCCN(C(=O)NCCOc2ccc3c(c2)OCO3)CC1,1.844849801 |
| Mol1227,N#Cc1ccc(CCC(=O)Nc2ccncc2)cc1,1.579097327 |
| Mol1228,Cn1c(=O)c2c(nc3n2CCN3Cc2c(F)cccc2Cl)n(C)c1=O,0.713490543 |
| Mol1229,C#CCNC(=O)Cc1coc2cc(OC)ccc12,1.751587005 |
| Mol1230,COc1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)c(C)c1C,0.926342447 |
| Mol1231,CN(C)c1nc(N)nc(Sc2ccccc2)n1,0.492760389 |
| Mol1232,Cc1c(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)oc2c(F)cccc12,1.042181595 |
| Mol1233,O=C(NCC1CC1)c1cncn1-c1ccc(F)cc1,1.717670503 |
| Mol1234,CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1,1.561339941 |
| Mol1235,Cc1cc(C(=O)NCCC2=CSC3=NCCCN23)c2cccc(C)c2n1,1.66407759 |
| Mol1236,c1ccc(COc2ccc(CNCC3CCNCC3)cc2)cc1,1.401572846 |
| Mol1237,CN(C)c1cnn(CCC(C#N)(c2ccccc2)c2ccccc2)c(=O)c1,1.346744055 |
| Mol1238,Nc1nc(-c2ccccc2)nc2nc(C3CCCN(CC(=O)N4CCCC4)C3)ccc12,1.836165816 |
| Mol1239,COc1cc(C(=O)O)c(N)c(OC)c1OC,1.73183042 |
| Mol1240,CC(C)(C)N1CCCN(C(=O)CNc2ccc(C#N)cc2)CC1,1.698709349 |
| Mol1241,O=C(NCCc1ccc2c(c1)OCO2)Nc1ccncc1,1.667452953 |
| Mol1242,COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2nccs2)nc1OC,0.993876915 |
| Mol1243,Cc1sc(C)c(C(=O)NC2(c3ccc(C(=O)O)cc3)CC2)c1Cc1ccc(C(F)(F)F)cc1,1.710963119 |
| Mol1244,COc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)c1,1.205745541 |
| Mol1245,NC(=O)COc1ncnc2ccccc12,1.679881942 |
| Mol1246,O[C@@H]1CCCC[C@H]1N1CCC(c2ccccc2)CC1,1.667452953 |
| Mol1247,CN(C)CCN(Cc1ccccc1)Cc1ccccc1O,1.622628426 |
| Mol1248,Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1,1.40790054 |
| Mol1249,CN(CCOCCOc1ccccc1-c1ccccc1)Cc1ccccc1.O=C(O)C(=O)O,1.461798558 |
| Mol1250,Cn1nccc1CC1CCN(C2CCCC2)CC1,1.41763774 |
| Mol1251,C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1,1.429590802 |
| Mol1252,Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,1.440279213 |
| Mol1253,CC(=O)Nc1cnn(CC2CCN(C)CC2)c1,1.371067862 |
| Mol1254,Cc1cc(=O)n(C)c2cc(N3C(=O)CC[C@H](NS(=O)(=O)CC(C)C)[C@H]3c3ccc(Cl)cc3)ccc12,1.64738297 |
| Mol1255,CC(=O)Nc1cccc(CN2CCCN(C(C)=O)c3ccccc32)c1,1.471585054 |
| Mol1256,Cc1ccccc1C(=O)N1CCC[C@@H]1Cn1nnn(-c2cccs2)c1=O,1.690639012 |
| Mol1257,Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1,1.549493713 |
| Mol1258,Cc1cccnc1NC(=O)Cc1coc2c(C)c(C)ccc12,1.873262459 |
| Mol1259,Cn1cc(CN2CCN(c3ccccc3O)CC2)c(-c2ccncc2)n1,1.520876382 |
| Mol1260,Cc1cccc(C)c1OCC(=O)N(C)C1(C#N)CCC1,1.748730556 |
| Mol1261,CS(=O)(=O)Cc1ccn(-c2ccccc2)n1,1.507855872 |
| Mol1262,CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(S(N)(=O)=O)cc1,1.452859336 |
| Mol1263,CN1CCC(OC(=O)Nc2ccc(Cl)c(Cl)c2)CC1,1.941461739 |
| Mol1264,CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1,1.544688022 |
| Mol1265,COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2nccn2C)cc1,1.255513713 |
| Mol1266,Cc1ccc2c(c1)cc(CNCCc1ccccc1)c1nnnn12,1.396722279 |
| Mol1267,O=C(CCn1cncn1)N(CC#Cc1ccccc1)C1CCCC1,1.351409752 |
| Mol1268,C[C@@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,1.326335861 |
| Mol1269,CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1,1.412292509 |
| Mol1270,Cc1nnc(-c2ccccc2-c2ccc(O)cc2)s1,1.699751032 |
| Mol1271,CCc1cnc(NCc2ccc(CN3CCCC3)cc2)nc1,1.50242712 |
| Mol1272,CCCNC(=O)c1c(C)nn(-c2ccccc2)c1C,1.487703863 |
| Mol1273,CN1CCN(C(=O)c2cc(Br)cnc2Cl)c2cnccc21,1.762228284 |
| Mol1274,Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CCC(C)CC1,1.675595056 |
| Mol1275,CN(C)c1cc(CNC(=O)C2CCOCC2)ccn1,1.614897216 |
| Mol1276,O=C(NCCN1CCC(O)(c2cccc(F)c2)CC1)c1cccc(F)c1,1.728353782 |
| Mol1277,COC(=O)c1cc(F)c(C)c(NC(=O)CCCc2ccccn2)c1,1.633468456 |
| Mol1278,COc1ccc(C)cc1-n1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1,1.521138084 |
| Mol1279,CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,0.290034611 |
| Mol1280,NC(=O)c1cnc(NC2CC2)nc1CCNC(=O)C1(c2cccc(F)c2)CCOCC1,1.888123307 |
| Mol1281,CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(C(C)C)cc2)CC1,0.431363764 |
| Mol1282,O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(CCCc2ccccc2)C1,1.658964843 |
| Mol1283,Cn1nc(C2CC2)c2[nH]c(-c3cccc(CN4CCOCC4)c3)nc21,1.694078462 |
| Mol1284,COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(C)=O,1.507855872 |
| Mol1285,Fc1cccc(CCNCc2cc(-c3ccccc3)cn3nnnc23)c1,1.137037455 |
| Mol1286,COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccccn3)c2)c1,1.599555591 |
| Mol1287,O=C(O)c1cccc(N2CCC(Oc3ccc(Cl)cc3)CC2)n1,1.652729696 |
| Mol1288,c1ccc(C(c2ccccc2)c2noc(Cn3cnc(C4CC4)n3)n2)cc1,1.419790586 |
| Mol1289,Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1,1.755722445 |
| Mol1290,COC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1,1.346352974 |
| Mol1291,CC1(C)CN(C(=O)c2cncc(Br)c2)CCO1,1.920540717 |
| Mol1292,CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1,1.688419822 |
| Mol1293,O=C(Nn1cnc2ccccc21)c1c2c(nc3ccccc13)CCC2,1.75327657 |
| Mol1294,Cc1cccc(N(C)C(=O)COC2CCCC2)n1,1.775391972 |
| Mol1295,Cc1cc(C(=O)Nc2cccc(-c3cnco3)c2)c2c(C)nn(C)c2n1,0.941014244 |
| Mol1296,CCN(CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1,1.843544212 |
| Mol1297,Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1,1.267171728 |
| Mol1298,OCCn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncc2)n1,1.136720567 |
| Mol1299,Fc1ccc(CNc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,0.409933123 |
| Mol1300,Cc1oc(C)c(C(=O)NCC#Cc2ccccc2)c1C,1.681422156 |
| Mol1301,CNC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1,1.790496277 |
| Mol1302,Cc1cc(NCc2ccnc(N3CCCC3)c2)c2ccccc2n1,1.507451061 |
| Mol1303,Cc1ccc(C)c(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1,0.527629901 |
| Mol1304,Cc1nccc(-c2cccc(NCC(=O)N3CCCCCCC3)c2)n1,1.745387121 |
| Mol1305,Cc1ccc(-c2cnc(N)cn2)c2cccnc12,1.502973059 |
| Mol1306,COc1ccc(CNC(=O)c2nnn(-c3ccc(OC)cc3)c2N)cc1,1.062205809 |
| Mol1307,O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1,1.342422681 |
| Mol1308,c1ccc(C2(c3ccccc3)CCCN(Cc3nnc(C4CC4)o3)C2)cc1,1.550961752 |
| Mol1309,Cc1nn(C)c2ncnc(N(C)Cc3cccc(Cl)c3)c12,1.351796307 |
| Mol1310,CN(C)C1CN(c2nc(-c3cnccn3)nc3sc4c(c23)CCCC4)C1,1.568084331 |
| Mol1311,CC(C)c1nc(CCn2ccnc2-c2ccoc2)cs1,1.46612587 |
| Mol1312,Cc1cc2occ(CC(=O)NC3CCN(C)CC3)c2cc1C(C)C,1.536810866 |
| Mol1313,CCOC1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1,1.675136504 |
| Mol1314,Nc1ccccc1OCCn1ccnc1,1.391993072 |
| Mol1315,CCCCCCNc1ncnc2[nH]ccc12,1.26904571 |
| Mol1316,Cc1cc2cc(C(=O)N(Cc3ccc4c(c3)OCO4)C3CC3)ccc2o1,1.069668097 |
| Mol1317,CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(C(N)=O)[nH]2)CC1,1.666517981 |
| Mol1318,O=C1N[C@@H]2CCN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1,1.498310554 |
| Mol1319,CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CO)CC1,1.699837726 |
| Mol1320,COc1cccc(-n2nc(C(=O)O)cc2-c2ccc(C3CCCCC3)c(Cl)c2)c1,1.528273777 |
| Mol1321,CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1,1.716587578 |
| Mol1322,Cn1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cn1,1.368658712 |
| Mol1323,CCc1noc(-c2ccc(CCN)cc2)n1,1.644241586 |
| Mol1324,O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O,1.783188691 |
| Mol1325,O=C(NCCc1cn2c(n1)CCCC2)c1ccccn1,1.677606953 |
| Mol1326,Cc1cc(C)n(-c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)n1,0.206825876 |
| Mol1327,O=C(CN1CCc2ccccc21)N1CCNC1=O,1.439332694 |
| Mol1328,O=C(O)c1c2ccccc2nn1Cc1ccccc1,1.570192561 |
| Mol1329,Cc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C,1.746011108 |
| Mol1330,COc1cc(OC)c(OC)cc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,1.465680212 |
| Mol1331,CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C(C)=O)CC2)cc1,0.382017043 |
| Mol1332,Cc1cccc(NCCc2cn3c(n2)CCCC3)n1,1.491361694 |
| Mol1333,COc1cccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(C(C)C)c3C)o2)c1,1.672005445 |
| Mol1334,Cc1cc(N(C)C)nc(-n2ccnc2)n1,1.454692449 |
| Mol1335,CCCC(=O)NCC(=O)Nc1cnc(N2CCN(C)CC2)nc1,1.709439574 |
| Mol1336,COc1cc2c(cc1NC(C)=O)oc1ccccc12,1.536558443 |
| Mol1337,Cn1cncc1-c1ncccc1C(=O)N1CCCC1,1.733839001 |
| Mol1338,Cc1noc(C(C)C)c1C(=O)Nc1ccccn1,1.765445018 |
| Mol1339,Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1,1.617419747 |
| Mol1340,CNC(=O)CCc1nc(-c2ccccn2)no1,1.702861171 |
| Mol1341,O=C(CN1CCCc2ccc(F)cc21)N1CCNC1=O,1.654561555 |
| Mol1342,Cc1cc(N(C)C)nc(-n2cnc(C#N)n2)n1,1.36660971 |
| Mol1343,N#CC1(CN2CCc3cc(-c4ccccc4)oc3C2)CC1,1.480868924 |
| Mol1344,CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,0.338456494 |
| Mol1345,Nc1nc(N)c2c(Cl)c(Br)ccc2n1,1.391111614 |
| Mol1346,c1ccc(Cc2n[nH]c(CSc3ccccc3)n2)cc1,1.226084116 |
| Mol1347,Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1,0.926342447 |
| Mol1348,Cc1ccc(-c2ccc(=O)n(Cc3ccncc3)n2)cc1,1.629409599 |
| Mol1349,Cc1ccnc(Oc2cc(N)ccc2C)c1,1.548266545 |
| Mol1350,CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccc(F)cc1,0.816903839 |
| Mol1351,Cn1cc(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)ccc1=O,1.724603515 |
| Mol1352,CC(C)c1ccc2c(c1)[C@H](NC(=O)Cn1ccnn1)CCC2,1.099335278 |
| Mol1353,Cc1ccccc1COC1CN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1,1.654946227 |
| Mol1354,COc1cc(CNc2nc3ccccc3nc2C)ccn1,1.428458774 |
| Mol1355,CCN1CCc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2C1,1.668012972 |
| Mol1356,Cc1ccc(-c2ccnc(N3C[C@@H](C)NC[C@@H]3C)n2)c(C)n1,1.413634997 |
| Mol1357,Cn1ccnc1CN(C(=O)c1[nH]c2ccccc2c1Cl)C1CC1,1.794348604 |
| Mol1358,Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,1.217483944 |
| Mol1359,CCC(=O)N(C)CC(=O)Nc1cccc(F)c1,1.651084089 |
| Mol1360,O=C1CCCc2c1[nH]c1cc(-n3ccnc3-c3ccncc3)ccc21,0.814913181 |
| Mol1361,O=C(NCCc1csc(N2CCCC2)n1)N1CCSCC1,1.720985744 |
| Mol1362,Cc1ccccc1-n1cc[nH]c(=O)c1=O,1.766635886 |
| Mol1363,CCN(CC)C(=O)N1CCCN(C(=O)N(CC)CC)CC1,1.686546899 |
| Mol1364,c1ccc(-n2ncc3c(-n4ccnc4)ncnc32)cc1,0.696356389 |
| Mol1365,CCOC(=O)c1ccc(NC(=O)Cn2cnc3ccccc32)cc1,1.264817823 |
| Mol1366,COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(C)Cc2cccs2)c1C,1.608526034 |
| Mol1367,CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1,1.664547962 |
| Mol1368,O=C(CSC1CCCC1)N1CCC(n2ccnn2)CC1,1.591732239 |
| Mol1369,Cc1ccc(C(=O)NC[C@H]2Cn3ccnc3CO2)cc1,1.483301952 |
| Mol1370,CC(C)(C)C(=O)N1CCC(CN2C(=O)C(=O)N(C3CCCC3)C2=O)CC1,1.824581376 |
| Mol1371,CC(=O)N1CCCN(Cc2c(C)nn(C)c2Cl)CC1,1.613841822 |
| Mol1372,NC(=O)CC1CCN(c2ncccn2)CC1,1.765072201 |
| Mol1373,COc1ccc2nc(C)nc(N3CC(CO)C3)c2c1,1.46686762 |
| Mol1374,Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1,1.581494542 |
| Mol1375,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2c(s1)CCC2,1.062581984 |
| Mol1376,Cc1nccc(C2CCN(Cc3ncc[nH]3)CC2)n1,1.905364069 |
| Mol1377,CCCC(=O)Nc1ccc(C)c2ncccc12,1.700703717 |
| Mol1378,CC(C)Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCCC1,1.797059695 |
| Mol1379,O=C1CCCN1C(=O)COc1cccc(-c2nnco2)c1,1.739572344 |
| Mol1380,CCn1nccc1-c1cc(CC2CCNCC2)ncn1,1.571359393 |
| Mol1381,Cc1ccc(C(=O)N(C)Cc2c(C)noc2C)cn1,1.610873 |
| Mol1382,O=C(CCn1nnc2ccccc2c1=O)Nc1ccncc1,1.329601248 |
| Mol1383,O=c1[nH]c2cnccc2n1Cc1ccccc1,1.497896743 |
| Mol1384,Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O,1.710878618 |
| Mol1385,Clc1ccc(Cc2nc(-c3ccccc3)n[nH]2)cn1,1.302763708 |
| Mol1386,CCCn1ncc2[nH]c(C3CCCCC3)nc21,1.350829274 |
| Mol1387,Cc1ccc(-c2noc(CCC(=O)N3CCCC3(C)C)n2)cc1F,1.610873 |
| Mol1388,CCC(=O)N1CCCc2cc(C(O)CN3CCN(c4ccc(OC)cc4)CC3)ccc21,1.84540814 |
| Mol1389,O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1,0.388278863 |
| Mol1390,O=C(Nc1nc2ccccc2[nH]1)c1ccncc1,0.706717782 |
| Mol1391,O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCC1,1.624591459 |
| Mol1392,CNC(=O)CN1CCCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1,1.698100546 |
| Mol1393,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,1.713826424 |
| Mol1394,CC(C)(C)n1cc(CNc2cccnc2)cn1,1.405687787 |
| Mol1395,Cc1nccc(-c2cccc(NCC(=O)N(C)c3ccccc3)c2)n1,1.582290683 |
| Mol1396,Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1,0.693726949 |
| Mol1397,Cc1ccc(N2CCN(C(=O)c3c(C)nc4sccn34)CC2=O)cc1,1.789510204 |
| Mol1398,Cn1c(CNC(=O)Cc2ccccc2)nc2ccccc21,1.650987094 |
| Mol1399,Cc1ccnc(NC(=O)CN2CCCC2=O)c1,1.741151599 |
| Mol1400,CC(=O)N1CCC(Cn2ccnc2-c2cc3ccccc3s2)CC1,1.546666025 |
| Mol1401,Cc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)co1,1.683947131 |
| Mol1402,CC(C)c1cc(N2CCc3[nH]nc(C4CC4)c3C2)n2nccc2n1,1.375663614 |
| Mol1403,Fc1ccccc1-c1noc(-c2ccc(NCCc3cnccn3)nc2)n1,0.741151599 |
| Mol1404,COc1ccccc1OC1CCN(Cc2ccccc2C#N)CC1,1.613841822 |
| Mol1405,O=C(NCC1(c2ccccc2)CC1)c1cccnc1,1.614897216 |
| Mol1406,C#CCNC(=O)CCc1c(C)nn(C)c1C,1.784831178 |
| Mol1407,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(S(=O)(=O)c3cccs3)C1)CC2,1.344392274 |
| Mol1408,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(C)=O)C1)CC2,1.740362689 |
| Mol1409,COc1cc2c(cc1OC)CN(C(=O)C1CCCN(C(=O)OC(C)(C)C)C1)CC2,1.791339704 |
| Mol1410,Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2,1.034227261 |
| Mol1411,COc1ccc2nc(NCc3cnn(C)c3)ccc2c1,1.541329578 |
| Mol1412,O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1,1.626340367 |
| Mol1413,Cc1nnc(N2CCCSCC2)c(C#N)c1C,1.373463722 |
| Mol1414,CN(C)CCN(Cc1ccccc1)C(=O)CCC(=O)Nc1ncc(-c2ccccc2)n1C,1.771954749 |
| Mol1415,CC1(C)CN(C(=O)C2(C(=O)N3CC(C)(C)C3(C)C)CCC2)C1(C)C,1.875061263 |
| Mol1416,Cc1cccc(O[C@H]2CN(Cc3ccc(OCCCO)cc3)C[C@@H]2O)c1,1.79239169 |
| Mol1417,c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5[nH]ncc5C4)c23)c1,1.690107439 |
| Mol1418,CC(C)n1nnnc1-c1ccc(N)cc1F,1.371806459 |
| Mol1419,Cc1nn(C)c(C)c1CCC(=O)N1CCN(C)Cc2ccccc21,1.72427587 |
| Mol1420,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1Cl,0.712649702 |
| Mol1421,Cc1n[nH]c(-c2c(C)c3cc(F)ccc3n2C)n1,1.371067862 |
| Mol1422,CCN1CCc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2C1,1.589949601 |
| Mol1423,Cc1nc(NCC(C)(C)c2ccccc2)n(C)n1,1.558708571 |
| Mol1424,CCCc1nnc(NCc2cn3ccc(C)cc3n2)o1,1.341236623 |
| Mol1425,CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl,0.288919606 |
| Mol1426,COc1ccc(C(=O)N2CCCC2)cc1NC(C)C,1.554610285 |
| Mol1427,O=C(OCc1cc(Cl)ccn1)c1ccc2[nH]c(C(F)F)nc2c1,1.544440137 |
| Mol1428,Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12,1.813847754 |
| Mol1429,N#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)C1CC1,1.814913181 |
| Mol1430,CN(C)c1cccc(Cn2ccnc2-c2ccc(O)cc2)c1,1.433769834 |
| Mol1431,CC(C)(C)OC(=O)NCc1ccc(C(=N)NC(=O)OCc2ccccc2)cc1,0.413299764 |
| Mol1432,N#Cc1cccc(CN2CCOC[C@H](Oc3ccccc3)C2)c1,1.723044992 |
| Mol1433,Cc1noc(OCC(=O)N2CCCCCC2)n1,1.701049631 |
| Mol1434,Cc1csc(NC(=O)c2ccc(-c3ccncc3)cc2)n1,0.369215857 |
| Mol1435,CCN(C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(C)C,1.910250772 |
| Mol1436,Cc1cccc(-n2cnnc2CCCN2CCOCC2)c1,1.544440137 |
| Mol1437,Cc1ccnc(C2CCN(C3CCCC3)CC2)n1,1.205745541 |
| Mol1438,Cc1ccc2[nH]c(C3CCN(C)CC3)nc2c1,1.757851344 |
| Mol1439,CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO,1.812311609 |
| Mol1440,O=c1[nH]c2ccccc2n1C1CCN(Cc2nc(-c3ccsc3)no2)CC1,0.763427994 |
| Mol1441,CC(c1nnc(-c2cccs2)o1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.755112266 |
| Mol1442,O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCc2ccccc21,1.339451441 |
| Mol1443,CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(-n2ccnc2)nc1,1.813314059 |
| Mol1444,N#Cc1ccccc1OCc1csc(-c2ncccn2)n1,1.103461622 |
| Mol1445,Nc1ccc2c(c1)ncn2CCc1ccccc1,1.584218112 |
| Mol1446,COc1cccc(CN(C)c2ncnc3c2CN(C)CC3)c1,1.761401558 |
| Mol1447,CCONC(=O)c1sc(C)nc1C,1.462397998 |
| Mol1448,Cc1ccc(-c2nnc([C@H]3CCN(Cc4cc5ccccc5o4)C3)o2)cc1,1.201397124 |
| Mol1449,CC(C)CN1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1,1.564666064 |
| Mol1450,O=C(O)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1,1.51054501 |
| Mol1451,N#Cc1ccc2nc([C@H]3CCN(C4CCC4)C3)[nH]c2c1,1.700703717 |
| Mol1452,O=C(O)c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1,1.889357737 |
| Mol1453,FC(F)(F)c1nccc(NCCSc2nc3ccccc3o2)n1,1.65195607 |
| Mol1454,O=C(Cc1cccc(I)c1)N1CC(CO)C1,1.624282096 |
| Mol1455,Cc1nc(NC2(c3cccc(Cl)c3)CC2)c2c(C)noc2n1,1.616790486 |
| Mol1456,CCc1oc2c(-n3cnnc3)cccc2c1C,1.354108439 |
| Mol1457,CCOC(=O)c1cccnc1-c1ccc2[nH]ccc2c1,1.565847819 |
| Mol1458,CCCN1CCn2nc(-c3nc4cc(OC)ccc4[nH]3)cc2C1,1.603252662 |
| Mol1459,Cc1cc(C)nc(NCc2cnc(C)c(C)c2)n1,1.124178055 |
| Mol1460,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1.469232743 |
| Mol1461,Cc1nn(Cc2csc(-c3cccs3)n2)c(N)c1C#N,1.597695186 |
| Mol1462,COc1ccc2cc(-c3[nH]c(-c4ccc(S(C)=O)cc4)nc3-c3ccncc3)ccc2c1,0.531478917 |
| Mol1463,CN(Cc1ccccc1Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1,1.841296887 |
| Mol1464,COc1cccc(-c2cccc(N)n2)c1F,1.260071388 |
| Mol1465,Cc1ccc(CNC(=O)c2cccs2)cn1,1.718750735 |
| Mol1466,Cc1cc(Nc2ccccn2)cc(C2CCCN(CC(=O)Nc3ncc(C)s3)C2)n1,1.81640703 |
| Mol1467,O=C(CCc1ccc(Cl)cc1)N1CCCC(c2n[nH]cc2-c2cccc(F)c2)C1,0.591064607 |
| Mol1468,CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1,1.863263364 |
| Mol1469,CCN(C(=O)N1CCC(OC2CCOCC2)CC1)C(C)C,1.748962861 |
| Mol1470,O=C(NCc1ccc(F)cc1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1,0.481442629 |
| Mol1471,C(=C/c1ccccc1)\CNCc1ccc2c(c1)OCO2,1.602819342 |
| Mol1472,Cc1nc(O)c2c(n1)CN(Cc1ccccc1)CC2,1.630326155 |
| Mol1473,Cn1cc(C(=O)O)c(C2CCCCC2)n1,1.526726867 |
| Mol1474,O=C(COc1ncnc2ccccc12)NC12CC3CC(CC(C3)C1)C2,1.780533325 |
| Mol1475,O=C(NCc1cccnc1)c1sccc1-c1ccccc1,1.816771412 |
| Mol1476,Cc1oc(C)c(C(=O)N2CCNC(=O)C2)c1Br,1.858837851 |
| Mol1477,COc1ccc(-c2ccc(CN(CCN(C)C)Cc3ccncc3)cc2)cc1,1.74647851 |
| Mol1478,O=C(NCCc1nnc2n1CCC2)c1ccc2c(c1)CCC2,1.373831145 |
| Mol1479,O=C(NC1CCCCCC1)c1ccc(-c2cnco2)cc1,0.963787827 |
| Mol1480,Cc1cnc(CNCc2cccc3c2OCO3)s1,1.542202782 |
| Mol1481,CNC(=O)Cc1nc(-c2cncc(C)c2)cs1,1.574956776 |
| Mol1482,Cn1ncc2c(Oc3cccc(Oc4ccccn4)c3)ncnc21,1.600101256 |
| Mol1483,CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1,1.283301229 |
| Mol1484,CN(Cc1ccc(N)nc1)c1ncccn1,1.454997217 |
| Mol1485,CN(CCc1ccccc1)C(=O)CC#N,1.51201697 |
| Mol1486,Cc1csc(Nc2ccc(C#N)cc2)n1,1.582063363 |
| Mol1487,Cc1noc(CCNc2ncnc3ccccc23)n1,1.581608366 |
| Mol1488,Cc1c(-c2ccccc2)oc2c(C(=O)NCCCN3CCCCC3)cccc2c1=O,1.68735057 |
| Mol1489,CCCC(=O)N1CCC(c2cccc(C)n2)CC1,1.604226053 |
| Mol1490,O=C(Cc1cccs1)NCc1ccccc1F,1.541454429 |
| Mol1491,O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1F,1.604550033 |
| Mol1492,c1ccc(CCn2cnc3c2CCN(c2ncccn2)C3)cc1,1.612359948 |
| Mol1493,Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1,1.454692449 |
| Mol1494,O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1ccc2c(c1)OCCO2,1.607455023 |
| Mol1495,Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1Cl,1.017033339 |
| Mol1496,O=C(NC1CC1)c1cccc2cccnc12,1.528788192 |
| Mol1497,COCCc1nc(-c2ccccc2-c2ccccc2)n(CCO)n1,1.421603927 |
| Mol1498,C1CCC(OCc2noc(C3CC3)n2)CC1,1.209515015 |
| Mol1499,Cc1noc(C)c1CC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1,0.11058971 |
| Mol1500,CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12,1.710963119 |
| Mol1501,Cn1nc(C2CCNCC2)c2cccnc21,1.727134424 |
| Mol1502,Cc1nc(CNC2CCN(C(=O)C3CC3)CC2)cs1,1.629409599 |
| Mol1503,Cc1cccc(OC2CN(C(=O)Cn3c(C)nn(-c4ccccc4)c3=O)C2)c1,0.7084209 |
| Mol1504,CN(C)c1ccc(-c2ccc(COCc3cccs3)cc2)nn1,0.130333768 |
| Mol1505,O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC(Oc2cccnc2)CC1,1.385248682 |
| Mol1506,O=C(NC1CCCCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1,0.432969291 |
| Mol1507,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1.560265398 |
| Mol1508,Cc1cc(C(=O)NC2CCN(C(=O)c3cc(C)sc3C)CC2)no1,1.786680453 |
| Mol1509,Cc1cc(-c2nccs2)nc(CC2CCNCC2)n1,1.562887381 |
| Mol1510,CN(Cc1cccc(C#N)c1)c1cnc2ccccc2n1,1.07371835 |
| Mol1511,Cc1ccc(-c2ccnc(O)c2C#N)cc1,1.068185862 |
| Mol1512,COc1cncc(-c2ccnc3[nH]ccc23)c1,1.380211242 |
| Mol1513,Cc1ccc(-n2cc[nH]c(=O)c2=O)cc1,1.631950826 |
| Mol1514,Cc1nc(C)c(CNc2cnn(-c3ccccc3)c2)s1,1.560862695 |
| Mol1515,Cc1cccc(NC2CCN(Cc3ccncc3)CC2)n1,1.575187845 |
| Mol1516,c1ccc(CN2CCn3nccc3C2)cc1,1.184691431 |
| Mol1517,CN(C)c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12,1.757927183 |
| Mol1518,CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,0.526339277 |
| Mol1519,O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1,1.848435455 |
| Mol1520,CCN(CC)C(=O)N1CCC(C(=O)O)CC1,1.779452183 |
| Mol1521,CC(C)c1cc(CN(C)Cc2c[nH]nc2-c2ccc(F)cc2)no1,1.347330015 |
| Mol1522,Cc1ccc(OCc2noc(-c3ccsc3)n2)cn1,1.722140125 |
| Mol1523,c1cnc(N2CC(c3nc4ccccc4[nH]3)C2)nc1,1.544440137 |
| Mol1524,Cc1cc(C)cc(C(=O)Nc2c(C#N)cnn2C)c1,1.582517884 |
| Mol1525,CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2,1.556302501 |
| Mol1526,Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3ccc4nc(C)cc(O)c4c3)CC1)O2,1.305351369 |
| Mol1527,COc1ccccc1-c1ccc(CC2(C(=O)NC3CC3)CCOCC2)cc1,1.621280168 |
| Mol1528,CCS(=O)(=O)Cc1ccn(-c2cccc(F)c2)n1,1.691700208 |
| Mol1529,O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCOCC1,1.567144045 |
| Mol1530,O=C(NC1CCCC1)c1cc(C2CC2)nc2ccccc12,1.269512944 |
| Mol1531,Cn1cc(CCNc2cncc(Br)c2)cn1,1.606381365 |
| Mol1532,N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4ccc(F)cc4)C2)C3)c1,1.511080846 |
| Mol1533,Cn1c(C(=O)N2CCN(CCc3ccccc3)C(=O)C2)cc(=O)n(C)c1=O,1.775901579 |
| Mol1534,Cc1noc(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1,0.899820502 |
| Mol1535,Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1,1.696181587 |
| Mol1536,Cc1nnnn1CCN(C)c1ccccc1,1.048053173 |
| Mol1537,CCC(=O)NCc1ccnc(N(C)C)c1,1.485011215 |
| Mol1538,Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1,1.941262909 |
| Mol1539,c1ccc2c(c1)CCN(Cc1nnc3n1CCC3)C2,1.547774705 |
| Mol1540,O=C(NCc1nnc2n1-c1ccccc1CC2)c1ccc2ccccc2c1,1.535800291 |
| Mol1541,Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc4c(c3)CCO4)cn2)n1,0.586587305 |
| Mol1542,O=C(NCCc1ccc2c(c1)OCO2)C1CCCC1,1.624178926 |
| Mol1543,O=C(CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1,0.230448921 |
| Mol1544,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,1.095518042 |
| Mol1545,CCn1ncc(-c2cc(C(F)F)nc(NCCCOC)n2)c1C,1.650307523 |
| Mol1546,Cc1cc(C)c(NC(=O)c2cc(Cl)ccc2F)c(C)n1,1.798028793 |
| Mol1547,CCc1nnc(NC(=O)c2ccc3cc(OC)ccc3n2)s1,0.620136055 |
| Mol1548,CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,1.95438725 |
| Mol1549,CCc1nnc(Nc2cccc(C3CCCN(CC(=O)N4CCCC4)C3)n2)s1,1.728150793 |
| Mol1550,Cc1cc(C)n(-c2cc(Nc3ccccc3C)ncn2)n1,0.240549248 |
| Mol1551,O=C(CC(=O)N1CCCC1)N1CCCC1,1.486572151 |
| Mol1552,CCNC(=O)N1CCc2nc3ccc(F)cn3c(=O)c2C1,1.760949951 |
| Mol1553,CNC(=O)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1,1.703377369 |
| Mol1554,COc1ccc(CC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1OC,0.826074803 |
| Mol1555,Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCCCCC3)c2C)n1,1.737192643 |
| Mol1556,CS(=O)(=O)c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1,1.561101384 |
| Mol1557,Cc1ncc(C(=O)Nc2ncnc3oc(C)c(C)c23)s1,1.726156466 |
| Mol1558,Cc1ccc2c(c1)c(Cn1ccnc1-c1cccc(C)n1)nn2C,1.516535374 |
| Mol1559,Cc1noc(C2CCN(CCc3ccccc3)CC2)n1,1.8049568 |
| Mol1560,O=C(Nc1ccc2sccc2c1)N1CCCN(C(=O)Oc2ccccc2)CC1,1.57818061 |
| Mol1561,COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2,1.790285164 |
| Mol1562,Cc1nc(C2CCNCC2)cc(N(C)C)n1,1.58546073 |
| Mol1563,NC(=O)c1ccc(Oc2ccc(C(=O)N3CCCCCC3)cc2)cc1,1.776773802 |
| Mol1564,O=C(CCCOc1ccccc1)N1CCCC1,1.484299839 |
| Mol1565,CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C,1.482015576 |
| Mol1566,Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1,1.094471129 |
| Mol1567,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccnc(-n2cncn2)c1,1.030599722 |
| Mol1568,Cc1ccc(-c2nc(CC(=O)NCCC(C)C)cs2)cc1,0.912222057 |
| Mol1569,O=C(Nc1ccc(F)cc1)c1cc(C2CC2)nn1-c1ccccc1,0.613841822 |
| Mol1570,CC(C)(C)NC(=O)c1cnc(-c2ccc(Cl)s2)s1,0.041392685 |
| Mol1571,CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1,1.07809415 |
| Mol1572,Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,1.633569443 |
| Mol1573,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,1.6642658 |
| Mol1574,Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(-c2ccccc2)n1,0.59439255 |
| Mol1575,CC(=O)Nc1cccc(OCC(=O)N2CCCCC2)c1,1.627160952 |
| Mol1576,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1.736396502 |
| Mol1577,O=C(NCCc1cnn(-c2ccccc2)c1)N1CCC1,1.597695186 |
| Mol1578,COc1cc(NC(=O)c2ccc(F)cc2C)ncn1,1.197556213 |
| Mol1579,Cc1cc(C)c(-n2cccn2)c(-c2cn(C[C@@H]3CCCO3)nn2)c1,1.421932813 |
| Mol1580,CN(C)Cc1csc(-c2nccn2-c2ccc3c(c2)n(C)c(=O)n3C)c1,1.497482537 |
| Mol1581,COc1cccc(OCCCN)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1,1.592620821 |
| Mol1582,O=C(CC1CCCC1)NCc1nnc2n1CCC2,1.498586209 |
| Mol1583,COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1,1.447623098 |
| Mol1584,Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2,1.754806855 |
| Mol1585,CCNc1ccnc(N(C)Cc2nc3ccccc3n2C)n1,1.567849451 |
| Mol1586,COc1ncccc1CNc1ncnc2c1cnn2C,1.668479103 |
| Mol1587,C#CCNC(=O)c1ccc2c(c1)OCO2,1.415474168 |
| Mol1588,CC(C)(C)c1nccc(NCc2ccncc2)n1,1.48301642 |
| Mol1589,CCC(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12,1.271376872 |
| Mol1590,CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,1.8896378 |
| Mol1591,Cc1c(C(=O)NCc2cnc(N(C)C)n2C)sc2ccccc12,1.707570176 |
| Mol1592,CN1CCC(C(=O)N2CCC(c3cc(C(F)(F)F)c4c(n3)CCNC4=O)CC2)CC1,1.718501689 |
| Mol1593,Cn1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)cn1,1.699490845 |
| Mol1594,CC(C)(C)NC(=O)NCCn1nc2c(cc1=O)CCCC2,1.676327734 |
| Mol1595,COc1cc2nc(/C=C/c3cocn3)sc2cc1OC,1.092018471 |
| Mol1596,CCOc1ncccc1-c1nc(C)cc(NC)n1,1.560504415 |
| Mol1597,Cc1nc(CN(C)C(=O)C2c3ccccc3-c3ccccc32)no1,1.513483957 |
| Mol1598,O=C(Nc1nccs1)C1CCN(C(=O)CN2CCc3ccccc32)CC1,1.710709566 |
| Mol1599,O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1cccnc1)C2,1.974741905 |
| Mol1600,CC1(c2nnc(-c3ccc4c(c3)OCCO4)o2)CCOCC1,1.610660163 |
| Mol1601,CCN(CC#N)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2,1.607562243 |
| Mol1602,O=C(c1ccccc1-c1ncc(-c2ccccc2F)o1)N1CCC1,1.639586087 |
| Mol1603,Cc1cccc(OCCCNc2cc(Cn3c(C)nc4ccccc43)nc(N)n2)c1,1.549983611 |
| Mol1604,CN(C)c1ccc(C(=O)N2CCN3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1,1.133538908 |
| Mol1605,Cc1cc(C(=O)NCC2CC2)n2nccc2n1,1.702344358 |
| Mol1606,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,1.752816431 |
| Mol1607,O=C(NCc1ccc(F)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1,1.941759814 |
| Mol1608,Cc1cncc(C2CCN(Cc3cnccn3)CC2)n1,1.831229694 |
| Mol1609,CC(=O)N1CCCN(C(=O)Cc2csc(C(C)C)n2)CC1,1.740993932 |
| Mol1610,O=C(CSc1ccc(F)cc1)N1CCCC1,1.558468563 |
| Mol1611,O=C(c1ccc(F)cc1)N1CCN(CC(=O)N2CCCC2=O)CC1,1.976945751 |
| Mol1612,O=C(c1ccncc1)N1CCC(c2cnccn2)CC1,1.786467477 |
| Mol1613,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)cc1,1.59747579 |
| Mol1614,CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3ccc(OC)cc3)CC2)c1C,1.720737977 |
| Mol1615,O=C(Cc1ccc(F)cc1)NCCn1cccnc1=O,1.80126647 |
| Mol1616,Cc1cnc(-n2cnnc2)c(-c2cccc(Cl)c2Cl)c1,1.269512944 |
| Mol1617,Cc1cccc(-n2c(S)nnc2CNc2ccc(F)cc2)c1,1.700357528 |
| Mol1618,COc1ccc(-c2cccc(C3CCCN(C(=O)C4CCCC4)C3)n2)cc1,0.389166084 |
| Mol1619,c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCCCC4)c3)cc2cn1,1.600537294 |
| Mol1620,O=C(Nc1ccccc1)N1CCCc2cnc(N3CCOCC3)nc21,0.767897616 |
| Mol1621,CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1,1.463146137 |
| Mol1622,COC(=O)[C@@H]1C[C@H](O)CN1CCc1ccccc1F,1.753965866 |
| Mol1623,CC(C(=O)Nc1ccccc1)N1CCCC(c2nc3ccccc3o2)C1,1.42894429 |
| Mol1624,CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(Cc3ccccc3)CN2)cc1,1.78497371 |
| Mol1625,COc1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1F,1.492760389 |
| Mol1626,CCN(CC)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.688864568 |
| Mol1627,COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCC(N)=O,1.472171147 |
| Mol1628,Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1,1.365487985 |
| Mol1629,CCOc1ccc(Nc2ncccc2C#N)cc1,0.965201701 |
| Mol1630,CCc1nc2ccc(C(=O)NCc3ccccc3)cc2nc1CC,0.33243846 |
| Mol1631,Cc1cccc2cc(C(=O)NCCSc3nccn3C)n(C)c12,1.524915148 |
| Mol1632,N#Cc1ccc(C(=O)Nn2cnnc2)cc1,1.254789687 |
| Mol1633,O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc(O)c(O)c2)n1,1.762378429 |
| Mol1634,CN(C)C(=O)Cn1cc(C(=O)O)ccc1=O,1.3232521 |
| Mol1635,Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cs2)cn1,1.531478917 |
| Mol1636,Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1,1.08278537 |
| Mol1637,C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1,1.330413773 |
| Mol1638,Clc1ccc2[nH]c(COc3ccccc3)nc2c1,1.470263447 |
| Mol1639,COc1cc(-c2ccc(C)s2)cc2c1OCCN(c1noc(C)n1)C2,0.478566496 |
| Mol1640,CCCCNC(=O)c1ccc2c(c1)nnn2C,1.41564098 |
| Mol1641,CN1C(=O)CCc2cc(NC(=O)C(C)(C)c3ccccc3F)ccc21,1.907250083 |
| Mol1642,Cc1csc(CCNc2ncccc2C#N)n1,1.505963518 |
| Mol1643,c1cnc(NCCc2cccc3cccnc23)nc1,1.567731963 |
| Mol1644,Nc1ccc(Cl)c(NC2=NN(c3c(Cl)cc(Cl)cc3Cl)C(=O)C2)c1,1.147985321 |
| Mol1645,Cn1cc(C(=O)N2CCC(CC(=O)O)CC2)cn1,1.758154622 |
| Mol1646,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,1.511883361 |
| Mol1647,N#Cc1cccc(CN2CCN(CCO)CC2)c1,1.46686762 |
| Mol1648,O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21,1.799891685 |
| Mol1649,CC(C)CCN1CCn2c1nc1c2c(=O)n(C)c(=O)n1C,1.668385917 |
| Mol1650,Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12,0.728353782 |
| Mol1651,N#CCN1CCCN(Cc2ccc(C#N)cc2)CC1,1.577261954 |
| Mol1652,Cc1cc(C(=O)Nc2ncccc2C)c2ccccc2n1,1.643156466 |
| Mol1653,COc1ccc(CCn2c(C)c3c(=O)n(-c4nc5ccccc5s4)[nH]c3cc2=O)cc1,1.352761192 |
| Mol1654,O=c1[nH]c2ccccc2n1C1CCN(CCc2ccncc2)CC1,1.810904281 |
| Mol1655,NCCn1cc(NC(=O)c2ccccc2)cn1,1.89795681 |
| Mol1656,Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCCC1,1.612359948 |
| Mol1657,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,1.994141111 |
| Mol1658,COc1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2N)c(OC)c1,1.608739919 |
| Mol1659,Cc1ccc(C(=O)Nc2ccccc2C#N)cc1,1.016197354 |
| Mol1660,CCCCN(C)C(=O)c1cn(-c2ccc(C)c(C)c2)nn1,0.944975908 |
| Mol1661,Cc1cccc(NC(=O)c2noc3c2CCCC3)n1,1.232233521 |
| Mol1662,CN(C)c1cccc(C2CCN(c3ncccn3)CC2)n1,1.22685757 |
| Mol1663,O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1,0.173186268 |
| Mol1664,O=C(O)c1cnn(-c2ccncc2)c1C(F)F,1.503654519 |
| Mol1665,Cc1cccc(OCC(=O)Nc2ccn(C)n2)c1,1.637989781 |
| Mol1666,CNCCN1CCC(OCc2ccccc2)CC1,1.740678425 |
| Mol1667,c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1,1.651762447 |
| Mol1668,CNc1nc(C2CCNCC2)nc2c1CN(C)CC2,1.559308011 |
| Mol1669,Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)nc1,1.496237545 |
| Mol1670,COc1cc(CCNC(=O)c2nc3cccc(C)n3c2F)cc(OC)c1,1.596926814 |
| Mol1671,Cc1cc(C(=O)NC2CCN(c3ncnc4sc(C)c(C)c34)CC2)on1,0.396199347 |
| Mol1672,Cc1ccc(CN(C)Cc2c(C)noc2C)o1,1.500099192 |
| Mol1673,CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21,0.079181246 |
| Mol1674,CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1,1.599664779 |
| Mol1675,CC(C)c1noc(CN(C)C2CCCC2)n1,1.237040791 |
| Mol1676,CN(C)Cc1ccc(-c2ccccc2C(=O)O)cc1,1.484157424 |
| Mol1677,CCCN1CCCN(C(=O)c2nc3ccccc3[nH]2)CC1,1.693287157 |
| Mol1678,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,1.516204735 |
| Mol1679,CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)[nH]2)COc2ccccc21,1.618048097 |
| Mol1680,C=CCn1cc(CNCc2csc3ccc(Cl)cc23)c(C)n1,1.330413773 |
| Mol1681,C=C(C)COc1ccc(C(=O)NCCc2cn3ccccc3n2)cc1,1.437909036 |
| Mol1682,NC(=O)C1(CCCc2ccccn2)CCNCC1,1.587486465 |
| Mol1683,c1cc(CC2CCNCC2)c2cccnc2c1,1.717920026 |
| Mol1684,CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1,0.960946196 |
| Mol1685,COCCN(Cc1cccs1)Cc1cccc(C)c1O,0.021189299 |
| Mol1686,COc1cc2c(cc1OC)CN(CN1C(=O)c3cccc4cccc1c34)CC2,1.727703884 |
| Mol1687,CCNC(=O)c1ccnc(-c2ccc(F)c(C)c2)c1,1.452706227 |
| Mol1688,COc1cccc(NC(=O)C2CNC2)c1,1.470116353 |
| Mol1689,Nc1ccnn1Cc1ccc(Cl)c(F)c1,1.613524703 |
| Mol1690,Cc1ccc(CNC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,1.059184618 |
| Mol1691,O=C(O)c1cc(Cl)cc2cccnc12,1.429429264 |
| Mol1692,O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1,1.698535493 |
| Mol1693,Oc1cccc(CN2CCN(c3ncc(Br)cn3)CC2)c1,0.694605199 |
| Mol1694,Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)O,1.409933123 |
| Mol1695,Cc1ccccc1NC(=O)CN1C(=O)CCC1=O,1.559547556 |
| Mol1696,CN(Cc1c(F)cccc1Cl)C(=O)C1(C#N)CCCC1,1.547159121 |
| Mol1697,COc1ccc(C2(NCc3cnn(-c4ccccc4)c3)CCCC2)cc1,1.759063188 |
| Mol1698,CC(C)N1CC[C@H](c2nnc(-c3cncn3C)o2)C1,1.594282029 |
| Mol1699,C#CCN1CCN(Cc2nc(O)cc(C(F)(F)F)n2)CC1,1.632659713 |
| Mol1700,CCc1cc2c(Nc3cnn(CC)c3)ncnc2s1,1.633670406 |
| Mol1701,CS(=O)(=O)CCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.798305282 |
| Mol1702,O=c1[nH]c2ccccc2n1C1CCN(S(=O)(=O)Cc2ccccc2)CC1,0.423245874 |
| Mol1703,CCc1nnc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)o1,1.640978057 |
| Mol1704,CC1CC1C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.507855872 |
| Mol1705,O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3sccc23)CC1,0.62838893 |
| Mol1706,O=C(CSCCCn1c(=O)[nH]c2ccccc21)N1CCCCC1,1.77524626 |
| Mol1707,CCOC(C)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.810568529 |
| Mol1708,O=C1CCCN1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.201397124 |
| Mol1709,CC(=O)NCc1ncc(-c2ccccc2C(=O)O)cn1,1.773786445 |
| Mol1710,Cn1cc(NC(=O)c2csc(Cc3ccccc3)n2)cn1,1.538322333 |
| Mol1711,CCn1c(COC(=O)c2ccc(C)s2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21,0.017033339 |
| Mol1712,Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1,1.702861171 |
| Mol1713,Cc1cc(F)ccc1C(=O)NCc1ccc(O)c(O)c1,1.606918526 |
| Mol1714,Cc1ccc(OCc2nc3cc(N)ccc3[nH]2)cc1,1.224014811 |
| Mol1715,Cc1cc(Cl)c(OCCCN2CCNCC2)c(Br)c1,1.566437492 |
| Mol1716,CC(C)[C@@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.042378598 |
| Mol1717,CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,0.472024698 |
| Mol1718,Cc1csc(NC(=O)c2cccc(C)c2C)n1,1.052693942 |
| Mol1719,CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl,1.384263786 |
| Mol1720,c1ccc(Cc2cccc3cc4c(nc23)OCCNC4)cc1,1.679609572 |
| Mol1721,Oc1ccccc1NCc1ccccn1,1.644241586 |
| Mol1722,COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1,1.811709027 |
| Mol1723,CCCc1cc(-c2nn3c(C4CCCC4)nnc3s2)n(C)n1,1.12904506 |
| Mol1724,C/N=C(\NC#N)NCCSCc1nc[nH]c1C,1.619093331 |
| Mol1725,Cc1cc(C)nc(CNC(=O)CC2CCNCC2)n1,1.744605875 |
| Mol1726,Cc1nnc(-c2cccc(C(=O)O)c2)o1,1.536432176 |
| Mol1727,O=C(c1cccs1)N1CCCC(C(=O)N2Cc3ccccc3C(c3ccccc3)C2)C1,1.392696953 |
| Mol1728,Cc1ccsc1-c1nc(CN(C)CCc2cn[nH]c2)c(C)o1,1.746166964 |
| Mol1729,Cc1nc(C#N)c(C#N)n1Cc1csc(-c2cccs2)n1,1.508529719 |
| Mol1730,O=C1CSc2ccc(C(=O)Nc3cc(C4CC4)n[nH]3)cc2N1,0.63447727 |
| Mol1731,CNc1nc(N2CCCCC2)nc(N2CCCCC2)n1,1.430719888 |
| Mol1732,CC(Oc1ccc(Cl)cc1)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.461648568 |
| Mol1733,Fc1ccc(-c2cc(C3CCNCC3)ccn2)cc1,1.613101517 |
| Mol1734,CCC(CC)NC(=O)c1ccc(C#N)c(C)n1,1.723783937 |
| Mol1735,Cc1cc(Oc2cnccn2)ccc1N,1.340444115 |
| Mol1736,CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1,0.008600172 |
| Mol1737,CCc1cnc(CCNc2cncc(Cl)n2)s1,1.68115075 |
| Mol1738,Cc1cccc(OCCn2c(N)nc3ccccc32)c1,1.592398846 |
| Mol1739,O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(COCc2ccco2)c1,1.329397879 |
| Mol1740,C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc2ccccc2c1,0.58546073 |
| Mol1741,O=C(Nc1ccccc1)Nc1ccccc1,0.591064607 |
| Mol1742,Cc1noc(-c2ccccc2C(=O)O)n1,1.54740546 |
| Mol1743,C[C@@H](CN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)NC(=O)c1ccc(Br)cc1,0.58546073 |
| Mol1744,Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1,1.498310554 |
| Mol1745,O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCOCC1,1.633165354 |
| Mol1746,c1ccc(-c2ccc(Cn3ccnc3-c3cc4n(n3)CCCNC4)cc2)cc1,0.661812686 |
| Mol1747,CNc1cc(C)nc(-c2ccnc3c2ccn3C)n1,1.465382851 |
| Mol1748,CS(=O)(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1,1.722387094 |
| Mol1749,O=C(Nc1cccc2cnccc12)c1cccc(F)c1,1.677880582 |
| Mol1750,NCc1ccc(Oc2ccccc2)nc1,1.342422681 |
| Mol1751,O=C(c1ccc(F)cc1)N1Cc2nc[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1,1.305351369 |
| Mol1752,Nc1cnn(CC(=O)N2CCCCC2)c1,1.561339941 |
| Mol1753,Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1,1.73239376 |
| Mol1754,CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,1.97482245 |
| Mol1755,Cc1noc(C2CCN(CC(N)=O)CC2)n1,1.48784512 |
| Mol1756,CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1,1.764549719 |
| Mol1757,COc1cc2c(c(OC)c1OC)CCNC(=O)C2,1.695744275 |
| Mol1758,Cc1nn(C)c2nc(C(C)C)cc(C(=O)O)c12,1.511883361 |
| Mol1759,CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)O)cc3)[nH]c2c1=O,1.716587578 |
| Mol1760,O=C(C1CC1c1ccc(F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.678973376 |
| Mol1761,O=C(C1CC1c1ccccc1F)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1.697665163 |
| Mol1762,Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)c2)c1,0.712649702 |
| Mol1763,Cc1ccn(-c2ccc3[nH]c4c(c3c2)CCCC4=O)n1,0.984527313 |
| Mol1764,COc1cc(CN(C)C(=O)Nc2cccc(C)c2C)ccc1O,1.714497409 |
| Mol1765,CSCC(=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1,1.695043659 |
| Mol1766,O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N1CCc2ccccc2C1,1.529558673 |
| Mol1767,CCC(=O)N1CCCC(C(=O)N2CCc3c(Cl)cc(Cl)cc3C2C)C1,1.738780558 |
| Mol1768,O=C(C1CC1)N1CCCC(C(=O)N2CCc3ccccc3C2Cc2ccccc2)C1,1.653694795 |
| Mol1769,O=C(C1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1,1.725911632 |
| Mol1770,O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCc2ccccc2C1,1.758533422 |
| Mol1771,O=C(C1CCCN(c2ccc(Cl)nn2)C1)N1CCc2ccccc2C1,1.696793085 |
| Mol1772,O=C(C1CCCN(c2ccccn2)C1)N1CCc2ccccc2C1,1.691965103 |
| Mol1773,CC(=O)N1CCCC(C(=O)N2CCc3c(cccc3C(C)C)C2)C1,1.739967697 |
| Mol1774,CSc1ccccc1NC(=O)CN1CCCC(c2nc3ccccc3o2)C1,0.929418926 |
| Mol1775,CCONC(=O)c1cnn(-c2cccc(Cl)c2)c1,1.613101517 |
| Mol1776,Cc1ccc(NC(=O)c2cccc3cccnc23)cc1,0.755874856 |
| Mol1777,Cc1cnn(Cc2cc(F)ccc2F)c1N,1.615318657 |
| Mol1778,CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc(Cl)c1OC,1.356599436 |
| Mol1779,O=C(Cn1ccnc1)NCc1ccccc1F,1.688063697 |
| Mol1780,C#CCN1CCN(C(=O)CCS(C)(=O)=O)CC1,1.867762025 |
| Mol1781,Cc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1,0.462397998 |
| Mol1782,CC(C)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1,0.695481676 |
| Mol1783,CC(C)CCNC(=O)c1ccc2ccccc2n1,0.862131379 |
| Mol1784,Cc1ccc(-c2nc(-c3ccncc3)n[nH]2)cc1,1.301247089 |
| Mol1785,Nc1nccc2ccc(-c3cccc(F)c3)cc12,0.477121255 |
| Mol1786,Cc1ccc2oc([C@H]3CCN(Cc4ccc(C#N)cc4)C3)nc2c1,0.73239376 |
| Mol1787,COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1,1.167317335 |
| Mol1788,c1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1,1.265053789 |
| Mol1789,Cc1ccc(NC(=O)c2cc(F)cc(F)c2)nc1,0.876217841 |
| Mol1790,CCONC(=O)Cc1coc2c(C)c(C)ccc12,1.534026106 |
| Mol1791,O=C(NCc1cccc(O)c1)Nc1ccccc1F,1.561578368 |
| Mol1792,O=C(NCCc1ccc(O)c(O)c1)Nc1ccccn1,1.67660217 |
| Mol1793,N#CC1(NC(=O)C2CCCCCC2)CC1,1.523095838 |
| Mol1794,Fc1cccc(N[C@H]2CCCN[C@H]2Cc2ccccc2)c1,1.62930764 |
| Mol1795,CCOc1cc2c(cc1CCC(=O)N1CCC(Cc3ncncc3C(N)=O)CC1)CCC2,1.876275589 |
| Mol1796,CC(=O)n1c(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc2ccccc21,0.73479983 |
| Mol1797,Cc1nc2cc(C(=O)N3CCc4nc5ccccc5c(=O)n4CC3)ccc2n1C,1.827756863 |
| Mol1798,Cc1ccc(OCC(=O)Nc2ccncc2)c(C)c1,1.672651923 |
| Mol1799,Fc1ccc(-c2nnc(CN3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1,0.903089987 |
| Mol1800,Cc1cc(C(=O)NCC2(c3ccccc3)CC2)on1,1.603360924 |
| Mol1801,Cc1cc(F)ccc1NC(=O)Cn1cncn1,1.545925329 |
| Mol1802,Cc1ccc(-c2nnc(SCCn3cccn3)[nH]2)cc1,1.338456494 |
| Mol1803,Cc1cccnc1NC(=O)c1csc(-c2ccccc2)n1,1.635282638 |
| Mol1804,CC(c1ccccc1)N1CC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1=O,1.855519156 |
| Mol1805,CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,0.278753601 |
| Mol1806,O=C(Nc1ccccn1)c1cccc2ccccc12,1.547282308 |
| Mol1807,O=C(CN1CCSC1=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1,1.735199548 |
| Mol1808,CC(=O)N1CCC(c2ccc(C(=O)O)cn2)CC1,1.704150517 |
| Mol1809,CCS(=O)(=O)CC(=O)Nc1cc(C)ccc1C,1.606596309 |
| Mol1810,O=C(Nc1cccc(Cl)c1F)c1cccc(N2CCCC2=O)c1,0.531478917 |
| Mol1811,Cc1ccc2cc(C(=O)N(C)CCC#N)[nH]c2c1,0.602059991 |
| Mol1812,CCN(C(=O)CO)[C@H]1CN(/C(=N\C#N)Nc2cccc(OC(F)F)c2)N=C1c1ccc(Cl)c(Cl)c1,0.367355921 |
| Mol1813,CCCc1nnc2sc(-c3cc(C(C)C)nn3C)nn12,1.251881455 |
| Mol1814,Oc1ccc(-c2noc(-c3cccnc3)n2)cc1,0.701567985 |
| Mol1815,CONC(=O)c1cn(-c2ccc(Br)cc2)cn1,1.803525396 |
| Mol1816,CC1(C(=O)O)CCN(Cc2ccccc2)CC1,1.652633068 |
| Mol1817,CN(CCN(C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1,1.56549363 |
| Mol1818,COc1ncc(-c2cccc(N(C)C)c2)c(OC)n1,1.396199347 |
| Mol1819,O=C1C(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCN1c1ccccc1,1.792741786 |
| Mol1820,O=C(NCCc1cccc2cccnc12)C1CCCCC1,1.620136055 |
| Mol1821,CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1ccccc1Cc1ccccc1,0.086359831 |
| Mol1822,Cc1nc(C2CCN(CC(N)=O)CC2)no1,1.787956123 |
| Mol1823,CN(C)[C@@H]1CN(C(=O)COc2ccccc2)C[C@H]1O,1.920645001 |
| Mol1824,O=C(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2[nH]c(=O)oc2c1,0.643452676 |
| Mol1825,CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cnn(C)c1,0.742725131 |
| Mol1826,COc1ccc(N)cc1N1CCOC1=O,1.508395033 |
| Mol1827,CCCCCCCC/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-],1.103803721 |
| Mol1828,COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC(N)CC3)c2n1,1.482158695 |
| Mol1829,COc1ncccc1NC(=O)c1cccc(C)n1,1.378034322 |
| Mol1830,O=C(NCc1ccc(O)cc1)Nc1ccncc1F,1.577836341 |
| Mol1831,N#Cc1cccc(CN2CCOC[C@H](O)C2)c1,1.324488233 |
| Mol1832,NC(=O)CN1CCC(CCc2ccccc2)CC1,1.616265405 |
| Mol1833,O=c1[nH]c2ccccc2n1C1CCN(Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1,0.389166084 |
| Mol1834,COc1ccccc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1,1.666705136 |
| Mol1835,Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1,1.680335513 |
| Mol1836,COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cc(F)c(F)c(F)c1F,1.642860053 |
| Mol1837,c1nc(Nc2ccc3c(c2)OCCCO3)c2sccc2n1,1.707229419 |
| Mol1838,CC(C)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1,1.103119254 |
| Mol1839,CN1CCN(C(=O)C2(NC(=O)c3cc(Cl)c4c(c3)OCO4)CCCC2)CC1,1.897682062 |
| Mol1840,COCc1ccc(-c2nc3c([nH]2)c(C)nn3C2CCCCC2)o1,1.579326204 |
| Mol1841,N#Cc1cccnc1Nc1cnn(Cc2ccccc2)c1,0.57054294 |
| Mol1842,COCc1nc(C2CCN(CCO)CC2)no1,1.557507202 |
| Mol1843,CN(CCC#N)Cc1cc(C#N)ccc1F,1.496929648 |
| Mol1844,Cc1cccnc1NC(=O)CCc1ccc(F)cc1,1.580468784 |
| Mol1845,COC(=O)[C@]12CCC(C)(C)CC1C1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,0.498310554 |
| Mol1846,CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccc(OC3CCCC3)cc2)CC1,1.859738566 |
| Mol1847,CC(=O)N1c2ccccc2C[C@H]1C(=O)O,1.525951341 |
| Mol1848,C[C@H](C(=O)Nc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O,1.422835969 |
| Mol1849,O=C(Nc1cc(Cl)ccc1Cl)c1cccc(N2CCCC2=O)c1,1.541953474 |
| Mol1850,Cn1ccc2c(NC(=O)N3CCCN(C(=O)Oc4ccccc4)CC3)cccc21,1.856608068 |
| Mol1851,Cc1cccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C,1.776846409 |
| Mol1852,O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2,1.706290957 |
| Mol1853,COc1ccc(CN(C)c2ncncc2Br)cc1O,1.74530906 |
| Mol1854,O=C(NCc1ccc(O)c(O)c1)c1ccc2ccccc2n1,1.743509765 |
| Mol1855,COc1ccc2c(c1)CN(c1nc(C)cc(C)n1)CC2,1.004751156 |
| Mol1856,Cc1ccc(F)cc1C(=O)N1CCc2c(nc(-c3ccccn3)nc2N(C)C)C1,1.410608543 |
| Mol1857,COc1ccc(CCCNc2nnc(C)o2)cc1,1.405517107 |
| Mol3057,CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(OCC3CC3)nc2O1,-0.15490196 |
| Mol3058,N#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F,1.820201459 |
| Mol3067,CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(O)n2n1,1.64246452 |
| Mol3068,COc1ccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)Oc2ccc(Cl)cc2)cc1,-1.0 |
| Mol3069,NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)Cc2cccc(F)c2)CC1,1.799340549 |
| Mol3070,CC(=O)Nc1ccc(O)cc1,1.442479769 |
| Mol3084,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1,-0.045757491 |
| Mol3085,Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1,-0.698970004 |
| Mol3087,N#Cc1ccc(NS(=O)(=O)c2c[nH]c3nc(Cl)ccc23)c(F)c1,1.117271296 |
| Mol3089,O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc(-n2cnnn2)cc1,-0.022276395 |
| Mol3090,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,1.183839037 |
| Mol3091,Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1,1.556423121 |
| Mol3092,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,-0.455931956 |
| Mol3117,COc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1,-0.744727495 |
| Mol3118,CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2C)[nH]n1,-0.585026652 |
| Mol3119,O=C(Nc1ccc(Cl)cn1)C1(c2cccc(Cl)c2)CC1,-0.48148606 |
| Mol3120,Cc1cccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c1,-0.070581074 |
| Mol3121,COc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12,-0.346787486 |
| Mol3122,O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(O)cc1O,-0.070581074 |
| Mol3123,O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1O,-0.045757491 |
| Mol3124,N#Cc1ccc(COc2cnc3ccccc3n2)cc1,-0.721246399 |
| Mol3125,COc1ccc(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)cc1,-0.455931956 |
| Mol3126,CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl,-0.657577319 |
| Mol3127,CC(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4scnc4c3)c2c1,1.58591171 |
| Mol3128,Nc1nc2c3ccccc3oc2c2ccccc12,-0.602059991 |
| Mol3129,COc1ccccc1N1CCN(c2nc(-c3ccc(C)cc3)cc(=O)[nH]2)CC1,-0.698970004 |
| Mol3130,c1ccc(Cc2ccccc2-c2nnc(-c3cccnc3)o2)cc1,-0.657577319 |
| Mol3131,Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1,-0.397940009 |
| Mol3132,Cc1ccc(NC(=O)c2c([O-])n(-c3ccc(C)cc3)n[n+]2Cc2ccccc2)cc1,-0.677780705 |
| Mol3133,N#C/C(=C\c1cnn(Cc2ccccc2)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1,-0.769551079 |
| Mol3134,CC(C)OC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1,-0.013228266 |
| Mol3135,O=C1/C(=C2/CCCCCN2)C(Nc2ccccc2)=NN1c1ccccc1,-0.26760624 |
| Mol3136,Fc1cccc(Cn2nnc(-c3ccccc3)n2)c1F,-1.0 |
| Mol3137,O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1,-0.387216143 |
| Mol3138,CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)=O)cc1,-0.346787486 |
| Mol3139,CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)C1(C#N)CCC1,-0.657577319 |
| Mol3140,COc1ccc(C(C)(C)C)cc1NC(=O)C1(C#N)CCCC1,-0.522878745 |
| Mol3141,CCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1,-0.602059991 |
| Mol3142,Cc1cc(F)ccc1NC(=O)c1cccc2cccnc12,-0.356547324 |
| Mol3143,CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1,-0.397940009 |
| Mol3144,Cc1cc(C)c(NC(=O)Cn2nnn(-c3cccs3)c2=O)c(C)c1,-0.113509275 |
| Mol3145,Cc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1ccc(Cl)cc1,-0.552841969 |
| Mol3146,COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C#N)s3)c2cc1OC,-0.522878745 |
| Mol3147,Cc1oc2cc(OCC(=O)Nc3nccs3)ccc2c(=O)c1Oc1ccc(F)cc1,-0.301029996 |
| Mol3148,N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)cc(N3CCC(F)(F)C3)n2)c1,-0.148741651 |
| Mol3149,Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1,-0.187086643 |
| Mol3150,FC(F)(F)c1ccc(Nc2nc3cc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)ccc3[nH]2)cc1,-0.455931956 |
| Mol3151,CCOC(=O)C1CCN(C(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)CC1,-0.055517328 |
| Mol3152,Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(C)c1-n1cnnn1,1.2509077 |
| Mol3153,O=C(Nc1nncs1)c1ccc(N2CCC3(CCCCC3)C2)nc1,-0.180456064 |
| Mol3154,COc1ccccc1N1CCN(c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)CC1,-0.698970004 |
| Mol3155,Cc1cc(NC(=O)Cn2nc(C3CC3)ccc2=O)ccc1Cl,-0.065501549 |
| Mol3156,CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1,-0.045757491 |
| Mol3157,O=C(Nc1ccccc1)Nc1ccc(OC(F)(F)F)cc1,-0.096910013 |
| Mol3158,NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1,-0.602059991 |
| Mol3159,COc1ccc2nc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)ccc2c1,-0.823908741 |
| Mol3160,Cc1cccc2sc(NC(=O)c3cccnc3)nc12,-0.283996656 |
| Mol3161,Cc1ccc(C(N)=O)c(OCc2c(Cl)ccc3cccnc23)c1,-0.214670165 |
| Mol3162,O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCc2ccccc21,0.762678564 |
| Mol3163,CN(C(=O)OC(C)(C)C)c1ccc2ccccc2n1,-0.552841969 |
| Mol3164,Cc1cc2ccccc2n1CC(=O)N(C)Cc1cnn(C)c1,1.67651071 |
| Mol3165,c1ccc2c(c1)nnn2Cc1ccc2c(c1)OCO2,-0.017728767 |
| Mol3166,O=C(CCOc1ccccc1)N1CCCC(c2n[nH]cc2-c2ccc(Cl)cc2)C1,-0.096910013 |
| Mol3167,O=C(Nc1ccccc1)c1sc(N2CCOCC2)nc1-c1ccccc1,-0.585026652 |
| Mol3168,O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O,1.623042434 |
| Mol3169,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1,-0.37675071 |
| Mol3170,Cc1ccc(S(=O)(=O)Cc2nc(-c3ccc(C(=O)NCc4cccnc4)cc3)oc2C)cc1,-0.48148606 |
| Mol3171,Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1,-0.744727495 |
| Mol3172,COc1ccc(-c2cnn3c(N)c(-c4ccccc4)cnc23)cc1OC,-0.721246399 |
| Mol3173,COc1ccc(-c2nnc3nn(C)c(=O)n3c2-c2ccc(OC)cc2)cc1,-0.602059991 |
| Mol3174,COc1ccc(-c2csc(CC(N)=O)n2)cc1,1.495544338 |
| Mol3175,CNC(=O)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1,-0.119186408 |
| Mol3176,CCOC(=O)c1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1,-0.161150909 |
| Mol3177,Cc1cnc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)s1,-0.677780705 |
| Mol3178,COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(Cl)cccc3Cl)c1C2=O,-0.537602002 |
| Mol3179,O=c1[nH]c2nc(N3CCc4ccccc4C3)ncc2c(=O)n1-c1ccccc1,-0.698970004 |
| Mol3180,COc1ccccc1-n1cc2c(c1-c1ccccc1Br)c(=O)n(C)c(=O)n2C,-0.091514981 |
| Mol3181,COCc1noc(-c2ccc(-c3cc(C)cc(C)c3)nc2)n1,-0.677780705 |
| Mol3182,Oc1cccc(/C=C/c2nc3ccccc3o2)c1,-0.15490196 |
| Mol3183,Clc1cc2c(NC3CCCC3)nnc(-c3ccncc3)c2cc1Cl,-0.721246399 |
| Mol3184,C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C,-0.522878745 |
| Mol3185,CN(C(=O)CNC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1)c1ccccc1,-0.455931956 |
| Mol3186,Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1,-0.387216143 |
| Mol3187,Cc1ccc(-c2csc(CC(N)=O)n2)cc1C,1.55448916 |
| Mol3188,CS(=O)(=O)N1CCc2cc(C(=O)NCCOc3ccc4ccccc4c3)ccc21,-0.356547324 |
| Mol3189,Cc1cccc(Nc2ccc(C3CCN(C(=O)c4cc5cc(F)ccc5n4C)CC3)nc2)n1,-0.721246399 |
| Mol3190,CC(C)C(=O)Nc1ncc(-c2ccccc2)s1,-0.259637311 |
| Mol3191,Cc1cc(C)c(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)c1,-0.920818754 |
| Mol3192,O=C(Nc1ccccc1)c1c([O-])n(-c2ccccc2)n[n+]1Cc1ccccc1,-0.698970004 |
| Mol3193,CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1,1.764699064 |
| Mol3194,COc1ccc(OCc2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1,-0.698970004 |
| Mol3195,N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1C1CC1,0.322219295 |
| Mol3196,Cn1cc(-c2ccnc(/C=C/c3ccc(F)cc3Br)n2)cn1,-0.167491087 |
| Mol3197,Nc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1,-0.301029996 |
| Mol3198,Cc1ccccc1Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(C)cn23)n(C)c1=O,-0.040958608 |
| Mol3199,NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)c1,-0.619788758 |
| Mol3200,Cc1nc(Nc2ccc(F)cc2)nc2c1ncn2-c1ccc(F)cc1,-0.853871964 |
| Mol3201,CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1,-0.148741651 |
| Mol3202,Fc1ccc(Nc2nc(N3CCCCC3)c3nccnc3n2)cc1,-0.920818754 |
| Mol3203,Cc1nnc(-c2ccccc2NCc2ccsc2)o1,-0.031517051 |
| Mol3204,Fc1ccc(-n2cc(/C=C/c3ccnnc3)nn2)cc1Cl,-0.568636236 |
| Mol3205,Cc1cc(C(=O)NC2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)on1,-0.017728767 |
| Mol3206,Cc1cn2c3c(=O)n(Cc4ccccc4Cl)c(=O)n(C)c3nc2n1-c1ccccc1O,-0.721246399 |
| Mol3207,Cc1sc2ncnc(OCC(=O)Nc3ccc4c(c3)OCO4)c2c1C,-0.585026652 |
| Mol3208,O=c1c2cc(OCc3ccc(Cl)cc3)ccc2nc2n1CCCCC2,-0.420216403 |
| Mol3209,COc1ccc2c(-c3ccccc3)cc3nnnn3c2c1,-0.823908741 |
| Mol3210,CC(C)COc1cc(F)cc(-c2cncc(C(=O)N3CCCC3)n2)c1,-0.15490196 |
| Mol3211,COc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c1,-0.045757491 |
| Mol3212,CCc1nnc2c3ccccc3nc(Nc3ccc(OC)cc3)n12,-0.853871964 |
| Mol3213,O=S(=O)(c1ccccc1Cl)N1CCCc2cnc(N3CCOCC3)nc21,0.0 |
| Mol3214,COc1ccccc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12,-0.568636236 |
| Mol3215,Cc1ccc2[nH]c(C3CN(C(=O)Cc4cccc5ccccc45)C3)nc2c1,-0.522878745 |
| Mol3216,Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)s1,-0.455931956 |
| Mol3217,C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)Nc4ccc(C(C)C)c(C)c4)c3)c3c(N)ncnc32)C1,-0.769551079 |
| Mol3218,COc1ccc(-c2[nH]c3ncccc3c2CN(C)CCOc2ccccc2OC)cc1,-0.522878745 |
| Mol3219,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)C(F)(F)F)cn3CC(=O)N[C@@H](CC(C)C)C(=O)O)cc1,1.905256049 |
| Mol3220,CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc3c(c2)OCO3)cc1,-0.356547324 |
| Mol3221,CC(C)(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1,-0.397940009 |
| Mol3222,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,-0.853871964 |
| Mol3223,Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(N)=O,-0.795880017 |
| Mol3224,CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1,-0.187086643 |
| Mol3225,Cc1ccc(-c2nc(CN3C(=O)C(=O)N(C4CCCC4)C3=O)cs2)cc1,-0.585026652 |
| Mol3226,CCCCOc1ccc(-c2cc3c(=O)[nH]ccn3n2)cc1,-0.698970004 |
| Mol3227,c1ccc(CNc2nn3nnnc3c3ccccc23)cc1,-1.0 |
| Mol3228,COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,1.193124598 |
| Mol3229,CS(=O)(=O)N1CCc2c(cccc2NC(=O)c2ccc(F)cc2)C1,-0.431798276 |
| Mol3230,Cc1cc(NC(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)no1,-0.522878745 |
| Mol3231,COC(=O)[C@@H]1C[C@H](O)CN1CC#Cc1ccc(Cl)cc1,1.50242712 |
| Mol3232,Cc1ccsc1C(=O)Nc1nc2ccccc2s1,-0.537602002 |
| Mol3233,CCC(=O)Nc1cccc(C(=O)N2CCN(C)Cc3ccccc32)c1,-0.698970004 |
| Mol3234,C1CCN(c2nc(NC3CC3)nc(N3CCCCC3)n2)CC1,-0.207608311 |
| Mol3235,Cc1ccc(-c2ccc(NC(=O)c3ncoc3-c3ccccc3)cc2)o1,-0.431798276 |
| Mol3236,CCOc1ccc(C(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3nc(C)nc(C(N)=O)c32)cc1,-0.408935393 |
| Mol3237,CSCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1,-0.431798276 |
| Mol3238,Cc1cccc(CNc2cccc3c2CCN(S(C)(=O)=O)C3)c1,-0.455931956 |
| Mol3239,Cc1ccc(C(=O)COC(=O)c2cc(O)nc3ccccc23)cc1,-0.161150909 |
| Mol3240,COc1cccc(NC(=O)c2c([O-])n(-c3cccc(OC)c3)n[n+]2C)c1,-0.721246399 |
| Mol3241,CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,-0.657577319 |
| Mol3242,O=C(Cn1cccc(C(=O)Nc2cccc(-n3cccn3)c2)c1=O)NC1CCCCC1,-0.096910013 |
| Mol3243,Oc1ccc(-c2noc(C3CC3)n2)cc1,1.689752696 |
| Mol3244,c1ccc(OCc2nc3cc4ccccc4cc3[nH]2)cc1,-0.537602002 |
| Mol3245,CCCCOc1ccccc1-c1cc(C(=O)NCCc2cccs2)[nH]n1,-0.431798276 |
| Mol3246,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-n2cncn2)cc1,-0.744727495 |
| Mol3247,COc1cc(OC)cc(-n2c(S)nnc2COc2cccc3ccccc23)c1,-0.552841969 |
| Mol3248,Cc1ccc(CC(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)cc1,-0.420216403 |
| Mol3249,O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1Cl,-0.431798276 |
| Mol3250,Cc1ccc(Cn2ccn(-c3ccc(F)c(F)c3)c(=O)c2=O)cc1,-0.455931956 |
| Mol3251,COc1cccc(-c2nnn(Cc3cc(F)cc4cccnc34)n2)c1,-0.853871964 |
| Mol3252,CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)cc1,-0.346787486 |
| Mol3253,CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1,-0.522878745 |
| Mol3254,Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(cnn3CCO)c2)cc1,-0.698970004 |
| Mol3255,O=C(Nc1nc(-c2cccnc2)cs1)C1CCCCC1,-0.677780705 |
| Mol3256,COc1cccc(-n2c(S)nnc2COc2cccc3ccccc23)c1,-0.585026652 |
| Mol3257,N#Cc1cc2c(nc1SCc1cccnc1)CCCCCC2,-0.657577319 |
| Mol3258,N#Cc1c(N)nc(SCC(N)=O)c(C#N)c1-c1ccc(OCC2CC2)cc1,-0.283996656 |
| Mol3259,Cc1csc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(N)n4)cc3)c3ccccc23)c1,-0.119186408 |
| Mol3260,CN(C)S(=O)(=O)N1CCC(c2ccc3c(NCc4ccccc4F)n[nH]c3n2)CC1,-0.823908741 |
| Mol3261,Cc1cc(F)ccc1S(=O)(=O)N1CCCc2cnc(N3CCOCC3)nc21,-0.508638306 |
| Mol3262,CCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1,1.07371835 |
| Mol3263,CS(=O)(=O)Cc1cc(-c2ccccc2)on1,1.496098992 |
| Mol3264,Cc1ccc(C)c(CN2C(=O)C(=O)N(CC(C)C)C2=O)c1,0.243038049 |
| Mol3265,COCc1cccc(NC(=O)c2cn(C)c3ccccc23)c1,0.56937391 |
| Mol3266,O=C(Nc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1,-0.301029996 |
| Mol3267,N#Cc1c(N2CCCC2)oc2nc3ccccc3nc12,-0.522878745 |
| Mol3268,NCCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,2.154576117 |
| Mol3269,NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,2.018076064 |
| Mol3270,Cc1nnc(NC(C2CC2)C2CC2)c(C#N)c1C,0.877371346 |
| Mol3271,Cc1ccnc(NC(=O)C2CCN(CCc3cccs3)CC2)c1,1.816440168 |
| Mol3272,c1cncc(-c2ccnn2CN2CCOCC2)c1,1.239049093 |
| Mol3273,Brc1cnc2ccccc2c1,-0.033858267 |
| Mol3274,COc1cc(/C=C/c2nccc(C#N)n2)ccc1F,0.514547753 |
| Mol3275,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,0.565257343 |
| Mol3276,Cc1cnc(CS(=O)(=O)C2CCCC2)cn1,1.558708571 |
| Mol3277,Cc1cccc2c(=O)n(CCC(=O)Nc3cc(C4CC4)n[nH]3)cnc12,0.916980047 |
| Mol3278,CCn1c(=O)c2cc(OC)c(OC)cc2n(Cc2ccc(Cl)cc2)c1=O,-0.397940009 |
| Mol3279,CNC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1cccc(CN(C)C)c1)c1ccccc1,0.923761961 |
| Mol3280,CCc1cc(NC(=O)Cc2c(C)nc3nc(SC)nn3c2C)[nH]n1,1.199480915 |
| Mol3281,N#Cc1ncn(Cc2ncc(-c3ccccc3)s2)c1C#N,1.647871765 |
| Mol3282,CC(C)c1cc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)[nH]n1,0.813580989 |
| Mol3283,O=C(Nc1nc2ccccc2[nH]1)C1CCCO1,1.550228353 |
| Mol3284,Cc1ccc(N/N=C2\C(=O)N(C)N=C2Nc2ccccc2Cl)cc1,-0.301029996 |
| Mol3285,O=c1[nH]c2cc3ccccc3c(=O)n2c2sc3c(c12)CCCC3,1.180699201 |
| Mol3286,Cn1ccnc1COc1ccc(CO)cc1,1.758760544 |
| Mol3287,CCn1c(=O)c2c(nc3n2CCN3c2cc(C)cc(C)c2)n(C)c1=O,-0.301029996 |
| Mol3288,C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,1.789580712 |
| Mol3289,CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)Nc2ccc(C(=O)O)cc2)c1,1.904607364 |
| Mol3290,Cc1noc2ncc(-c3nnc(CC(C)(C)C)o3)cc12,1.57599562 |
| Mol3291,CCOc1ncccc1C(=O)Nc1sccc1C#N,0.053078443 |
| Mol3292,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,-0.15490196 |
| Mol3293,COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,-0.045757491 |
| Mol3294,CNc1cc(CC2CCNCC2)ncn1,1.486005186 |
| Mol3295,CCCCCCCCc1ccc2c(c1)CC[C@@H](C(N)(CO)CO)C2,-0.091514981 |
| Mol3296,CCOc1ccccc1N/C=C1\C(=O)Oc2ccccc2C1=O,-0.180456064 |
| Mol3297,CCN(CC)CCCNc1c2c(nc3ccccc13)CCC2,1.405687787 |
| Mol3298,O=C(NCC(F)(F)F)c1ccncc1,1.487138375 |
| Mol3299,O=C(Cc1cccc2ccccc12)NCc1ccc(N2CCCC2=O)cc1,1.149834697 |
| Mol3300,O=C(O)c1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1,-0.004364805 |
| Mol3301,CCOC(=O)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)OC)ccc32)cc1,-0.080921908 |
| Mol3302,O=C(CC1CCCC1)NCc1ccncc1,1.763278211 |
| Mol3303,Cc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1,-0.537602002 |
| Mol3304,CCOC(=O)N1CCC(C(=O)Nc2cccc(C)c2)CC1,1.750354089 |
| Mol3305,C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1,0.350248018 |
| Mol3306,COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,-0.045757491 |
| Mol3307,O=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1,-0.086186148 |
| Mol3308,Cc1ccc(S(=O)(=O)NC(=O)c2c(C)cc3n2CCn2c(C)ccc2-3)cc1,1.519827994 |
| Mol3309,O=C(O)Cc1nc2ccccc2[nH]1,1.002166062 |
| Mol3310,Fc1ccc2oc(Cn3nnc(-c4ccsc4)n3)nc2c1,1.480581787 |
| Mol3311,CC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12,-0.27572413 |
| Mol3312,NCCOc1cccc(C(F)(F)F)n1,1.337459261 |
| Mol3313,N#Cc1c(N)nc(-c2ccccc2)nc1C(F)(F)F,-0.721246399 |
| Mol3314,O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3,-0.102372909 |
| Mol3315,N#Cc1cnn(-c2ccc(F)cc2)c1N,1.46478752 |
| Mol3316,N#Cc1ccsc1NC(=O)c1ccccn1,0.771587481 |
| Mol3317,CN(Cc1sccc1Br)c1nccnc1C#N,0.929418926 |
| Mol3318,Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)nc1,-0.744727495 |
| Mol3319,O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1,-0.397940009 |
| Mol3320,Cc1ccc(/C(N)=N/OC(=O)c2ccc3c(c2)OCCO3)cc1,-0.48148606 |
| Mol3321,Cc1[nH]ncc1-c1nn2c(Cc3ccccc3Cl)nnc2s1,0.621176282 |
| Mol3322,Nc1nc2c(N)ncnc2[nH]1,1.250420002 |
| Mol3323,COc1ccc(C2=N/C(=C/c3cc4ccccc4n3C(C)=O)C(=O)O2)cc1,0.369215857 |
| Mol3324,c1ccc2nc(N3CCC(c4nc5ccccc5[nH]4)CC3)cnc2c1,0.380211242 |
| Mol3325,COc1cc(CC(=O)Nc2ccccc2F)ccc1C,1.414639147 |
| Mol3326,COc1ccccc1-c1csc(-n2ncc(C#N)c2N)n1,-0.886056648 |
| Mol3327,Cc1cc(OCc2cc(C#N)ccc2F)ccc1N,1.40534636 |
| Mol3328,Cc1ncc(CN(C)c2nnc(C)c(C)c2C#N)s1,1.45591024 |
| Mol3329,CCN(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1,0.146128036 |
| Mol3330,O=C(CNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1,-0.397940009 |
| Mol3331,CC1(C)CN(C(=O)c2cscn2)CCS1(=O)=O,1.601081728 |
| Mol3332,CNc1ccc(/C=C/C=C/c2nc3ccc(O)cc3s2)cn1,-0.657577319 |
| Mol3333,COc1cccc(-c2nnn(-c3ncnc4sc5c(c34)CCC5)n2)c1,-0.585026652 |
| Mol3334,NC(=O)Cn1c2ccccc2c2nc3ccccc3nc21,-0.823908741 |
| Mol3335,Cc1cc(C)cc(NC(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)c1,-0.013228266 |
| Mol3336,N#Cc1ccccc1OCn1nnc2ccccc2c1=O,-0.187086643 |
| Mol3337,Clc1cccc(Nc2ncnc3[nH]ncc23)c1Cl,0.509874285 |
| Mol3338,N=C1/C(=C\c2ccco2)C(=O)N=C2Sc3ccccc3N12,-0.13667714 |
| Mol3339,CN(C)S(=O)(=O)N(C1CCCC1)C1CC1,1.513350799 |
| Mol3340,O=C(Nc1ccc(F)cc1)[C@H](O)c1ccccc1,1.632457292 |
| Mol3341,CCn1nccc1-c1n[nH]c(=O)n1Cc1ccccc1,1.430719888 |
| Mol3342,COc1ccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1,0.311753861 |
| Mol3343,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(OS(=O)(=O)C(F)(F)F)c3n2)COC1,-0.397940009 |
| Mol3344,COc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2,-0.455931956 |
| Mol3345,Cc1cccc2cc(C(N)=S)/c(=N/Nc3ccccc3)oc12,-0.318758763 |
| Mol3346,Cc1cccc2c1Oc1nc(-c3ccccc3)[nH]c(=S)c1C2,-0.48148606 |
| Mol3347,COc1cccc(/C=C2/N=C(c3ccccc3)NC2=O)c1OC,-0.48148606 |
| Mol3348,COCC(=O)N1CCN2C(=O)NC[C@H]2C1,1.584331224 |
| Mol3349,CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cnccc4o3)c2)cc1,-0.26760624 |
| Mol3350,CCc1cc2c(N3CCN(Cc4nccn4C)CC3)ncnc2s1,1.82445127 |
| Mol3351,Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccn4)CC3)c2c1C,0.267171728 |
| Mol3352,CC(=O)N[C@H]1/C(=N\OC(=O)Nc2ccccc2)O[C@H](CO)[C@H](O)[C@@H]1O,1.822168079 |
| Mol3353,CNC(=O)c1cc(-c2ccccc2)no1,1.567731963 |
| Mol3354,CCc1cccc(NC(=O)COC(=O)c2cnc(C)cn2)c1,1.748962861 |
| Mol3355,CC(C)(C)OC(=O)N1CC=C(CCC(=O)NO)C1,1.643353962 |
| Mol3356,CN(C)c1nc(-c2cccc(-c3ccccc3)c2)n[nH]1,-0.091514981 |
| Mol3357,CCn1nnc2cc(C(=O)Nc3cccc(C#N)c3)ccc21,0.0 |
| Mol3358,O=C(Nc1ccn(-c2ncccc2Cl)n1)c1csnn1,1.454692449 |
| Mol3359,O=C(Nc1cc(C2CC2)n[nH]1)C1CCN(C(=O)COc2ccccc2)CC1,1.628082261 |
| Mol3360,COc1ccc(OC)c(N/C=C2\C(=O)Oc3ccccc3C2=O)c1,-0.15490196 |
| Mol3361,N#Cc1nncn1CC(=O)Nc1ccc2ccccc2c1,1.357172258 |
| Mol3362,Cc1nc2ccc(C(=O)NCCCN3Cc4ccccc4C3)cc2[nH]1,1.719579858 |
| Mol3363,CC(Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(N)=O,0.33243846 |
| Mol3364,CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,-0.522878745 |
| Mol3365,COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1,-0.508638306 |
| Mol3366,Cc1nn(-c2ccccc2)c(C)c1CN,1.305995883 |
| Mol3367,O=C1NC(c2ccccc2)=N/C1=C/c1ccc2c(c1)OCO2,-0.508638306 |
| Mol3368,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,1.737987326 |
| Mol3369,N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CNC1,1.5132176 |
| Mol3370,CN(C)C(=O)Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1,0.382017043 |
| Mol3371,Clc1ccc2oc(/C=C/c3csnn3)nc2c1,-0.721246399 |
| Mol3372,COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCc2ccc3c(c2)OCO3)c1,1.255754787 |
| Mol3373,Cn1cc(-c2nc(C(F)(F)F)c[nH]2)cn1,1.604009932 |
| Mol3374,O=C(CCc1cccs1)Nc1ccc(N2CCCC2)cn1,0.071882007 |
| Mol3375,C#CCNC(=O)CN1C(=O)c2ccccc2C1=O,1.589837943 |
| Mol3376,CC(C)(C)OC(=O)N1CCNC(=O)C1,1.535167485 |
| Mol3377,CCc1nc(COc2ccccc2Br)no1,1.341236623 |
| Mol3378,O=C(c1cc(-c2ccccc2)[nH]n1)N1CCc2ccccc21,-0.075720714 |
| Mol3379,COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1,-0.602059991 |
| Mol3380,CCn1cnnc1C1CCCN(c2ncnc3sc(-c4ccccc4)cc23)C1,1.540954809 |
| Mol3381,O=C(c1ccco1)N1CCCC(C(=O)N2CCc3ccccc3C2)C1,1.843544212 |
| Mol3382,N#CCN(CN1C(=O)CC2(CCCC2)C1=O)C1CC1,1.585686278 |
| Mol3383,N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1,1.628695383 |
| Mol3384,N#Cc1cccc(NC(=O)C2CCC2)c1,1.528402438 |
| Mol3385,N=C(NC(=O)OCc1ccccc1)c1ccc(CN)cc1,1.48586333 |
| Mol3386,N#Cc1ccc(COc2ccccc2C#N)cc1,0.23299611 |
| Mol3387,O=C1CCCc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21,-0.795880017 |
| Mol3388,Cc1nc(C(=O)NC2CC2)ccc1C#N,1.558348509 |
| Mol3389,O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1F,1.648750213 |
| Mol3390,Cc1nnc(N2CCC(CNc3ccc(C#N)cn3)C2)c(C#N)c1C,0.911157609 |
| Mol3391,CC(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1,1.493597449 |
| Mol3392,CC(C)(C)c1noc(COc2ccccc2C#N)n1,1.610873 |
| Mol3393,O=C(Cc1csc(-c2ccc(F)c(F)c2)n1)NCC(F)(F)F,-0.443697499 |
| Mol3394,Cc1ccnc(NC(=O)CN(C)c2ncnc3sc4c(c23)CCC(C)C4)c1,0.588831726 |
| Mol3395,CCOc1ccccc1NC(=O)C(=O)NCc1ccccc1F,-0.468521083 |
| Mol3396,N#Cc1cnn(-c2nc(-c3ccc(Br)s3)cs2)c1N,0.278753601 |
| Mol3397,c1cnn(-c2ccc(-c3ccc(NC4CC4)nn3)cc2)c1,-0.107905397 |
| Mol3398,N#CCc1ccc(NC(=O)C2CC2)cc1,1.485011215 |
| Mol3399,Cc1nnnn1CCCc1ccccc1,0.753583059 |
| Mol3400,CC1(C)C(=O)N(Cc2ccc(CO)cc2)C(=O)c2ccccc21,1.438700533 |
| Mol3401,Fc1cccc(Oc2nnnn2-c2ccccc2)c1,1.116275588 |
| Mol3402,CCCc1n[nH]c2c1C(C1CC=CCC1)C(C#N)=C(N)O2,0.487138375 |
| Mol3403,CC1=NC(Nc2nc(C)c3ccccc3n2)=NC(C)(C)C1,-0.180456064 |
| Mol3404,CCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1,1.689885759 |
| Mol3405,c1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1,-0.769551079 |
| Mol3406,CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)NC(=O)N1,0.273001272 |
| Mol3407,O=C(c1cc(Oc2cccc(F)c2)nc2ccccc12)N1CCOCC1,1.206556044 |
| Mol3408,Cc1c(Nc2ccc3nccnc3n2)cnn1C,1.501333179 |
| Mol3409,Cc1ccc2c(CC(=O)N(C)CC(N)=O)coc2c1C,1.542949849 |
| Mol3410,O=C(NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12)c1cccs1,1.8162413 |
| Mol3411,O=C(CCCNC(=O)NC1CCCCC1)Nc1cc(C2CC2)n[nH]1,1.641969598 |
| Mol3412,Cn1cc(C(=O)O)c(-c2cccnc2)n1,1.610873 |
| Mol3413,COc1cccc(/C=C2/N=C(c3ccccc3C)NC2=O)c1OC,-0.455931956 |
| Mol3414,O=C(CN1C(=O)CCC1=O)Nc1ccc(F)c(F)c1F,1.698970004 |
| Mol3415,Cc1cccc(Cl)c1-n1c(C)n[nH]c1=O,1.207634367 |
| Mol3416,COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2,1.605089462 |
| Mol3417,CC(C)CC(=O)Nc1ccc(Cl)c(C#N)c1,1.3818368 |
| Mol3418,Cc1ccc(C)n1-c1ccc(CNS(C)(=O)=O)cc1,1.383815366 |
| Mol3419,C=CC(=O)Nc1cccc(Sc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2Cl)c1,-0.397940009 |
| Mol3420,COc1ccc(Nc2nc3ccccc3c3nncn23)cc1,-0.853871964 |
| Mol3421,Cc1noc2nc(-c3ccccc3F)cc(C(=O)O)c12,1.592287816 |
| Mol3422,OC(CNCc1ccc(OCc2cccs2)cc1)c1ccccc1,1.63286204 |
| Mol3423,O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,1.773786445 |
| Mol3424,COc1ccc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc1OC,-0.568636236 |
| Mol3425,COc1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccc(C)o3)cc2)c1,-0.397940009 |
| Mol3426,Cc1nnc(-c2ccccc2-c2c[nH]nc2C)s1,1.490239485 |
| Mol3427,NC(=O)c1sc2cc(F)ccc2c1Cl,-0.301029996 |
| Mol3428,c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1,-1.0 |
| Mol3429,Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-],1.476396827 |
| Mol3430,CN(C)S(=O)(=O)Nc1ccc2sncc2c1,1.72916479 |
| Mol3431,O=S(=O)(NCC1C2CC3CC(C2)CC1C3)C1CCOCC1,1.765072201 |
| Mol3432,N#Cc1c(O)c(Cl)c(Cl)c(C#N)c1Cl,1.495544338 |
| Mol3433,N#Cc1cc(-c2ccccc2)sc1N,0.477121255 |
| Mol3434,CCC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12,1.72607487 |
| Mol3435,COc1ccc(CN(C)C(=O)C2(C#N)CCC2)cc1,1.752662943 |
| Mol3436,COc1nc(C#N)c(N2CCOCC2)o1,1.647480773 |
| Mol3437,CNCC(=O)Nc1cc(Cl)c(OCCOC)c(Cl)c1,1.941014244 |
| Mol3438,O=c1c(N2CCCC2)c(Cl)cnn1-c1ccccc1,1.233757363 |
| Mol3439,c1ccc2[nH]c(C3CCNCC3)nc2c1,1.750354089 |
| Mol3440,Cc1ccc(F)c(N(C#N)Cc2nnc(C)o2)c1,1.649140064 |
| Mol3441,Cc1cc(NC(=O)CN(C)c2c(F)cccc2F)on1,1.84135947 |
| Mol3442,NC(=O)Cc1nc(-c2ccc(Cl)cc2Cl)cs1,1.613313161 |
| Mol3443,Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1,-0.698970004 |
| Mol3444,COc1cc(OC)cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)c1,-0.408935393 |
| Mol3445,Cn1cc(-c2nc(C(=O)Nc3cccnc3-n3cncn3)cs2)cn1,0.282168778 |
| Mol3446,CN(C)CCn1ccc2cc(NC(=O)c3ccc(=O)[nH]n3)ccc21,1.728434951 |
| Mol3447,CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccccc3OC)cc2)cc1,-0.366531544 |
| Mol3448,CCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O,-0.823908741 |
| Mol3449,CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CCN(Cc2ccccc2O)CC1,-0.167491087 |
| Mol3450,O=C(CCn1cc(Br)cn1)Nc1nc2ccccc2n1CCN1CCOCC1,1.626340367 |
| Mol3451,Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1,-0.070581074 |
| Mol3452,O=C(Nc1nc2ccccc2[nH]1)c1cccnc1,-0.698970004 |
| Mol3453,Cn1c(NC(=O)C2CC2c2ccc(Cl)cc2)nc2ccccc21,-0.522878745 |
| Mol3454,Cn1c(NC(=O)c2ccn(COc3ccccc3)n2)nc2ccccc21,0.763427994 |
| Mol3455,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1,0.217483944 |
| Mol3456,O=C(Nc1nc2ccccc2[nH]1)C1CC1c1ccccc1,0.041392685 |
| Mol3457,COc1ccc(-c2csc(CC(N)=O)n2)cc1Br,1.574609941 |
| Mol3458,N#Cc1ccc(OCc2nnc(S)n2-c2ccccc2)cc1,1.659821158 |
| Mol3459,CSCc1noc(COc2ccc(F)cc2F)n1,1.238046103 |
| Mol3460,COc1ccccc1-c1nc(-c2ccc(NC(C)=O)cc2)c(C)s1,-0.13667714 |
| Mol3461,CN(Cc1cnccn1)C(=O)c1cc(-c2ccc(F)cc2)on1,1.203848464 |
| Mol3462,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,0.571126277 |
| Mol3463,O=C(COc1ccc(F)cc1F)N1CCNC1=O,1.98686127 |
| Mol3464,NC(=O)Cn1nnc(-c2ccccc2F)n1,1.062581984 |
| Mol3465,O=C(Nc1ccc(Cl)cc1)C(=O)N(C1CCCC1)C1CC1,1.46834733 |
| Mol3466,CC(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)C)ccc12,-0.327902142 |
| Mol3467,COC(=O)Nc1nc2ccccc2[nH]1,0.90579588 |
| Mol3468,N#CCCn1nc(C(F)(F)F)cc1O,1.36398783 |
| Mol3469,COc1ccc(-c2ccccc2)c(NS(=O)(=O)c2cc(O)c(Cl)cc2Cl)c1,1.440279213 |
| Mol3470,O=C(Nc1ccc(-c2nnn[nH]2)cc1)c1cc(COc2ccc(F)cc2)on1,1.214048679 |
| Mol3471,CN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)C,1.476396827 |
| Mol3472,Cc1ccccc1N1C(=O)c2ccc(C(=O)NC(C)(C)C)cc2C1=O,1.69818757 |
| Mol3473,Cc1cc(NC(=O)c2ccc(Cl)cc2F)no1,0.84509804 |
| Mol3474,COc1cc(C#N)ccc1Oc1nc2ccccc2o1,0.939519253 |
| Mol3475,Cc1cc(C(=O)O)c2ccc(F)cc2n1,1.394451681 |
| Mol3476,Cc1ccccc1N(CC(=O)O)S(C)(=O)=O,1.649918719 |
| Mol3477,C#CCNC(=O)c1ccc(OC)c(OC)c1,1.42975228 |
| Mol3478,Nc1ccc(N2C(=O)CCCC2=O)cc1,1.447158031 |
| Mol3479,CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1,1.803115555 |
| Mol3480,CS(=O)(=O)NCCc1ccc2c(c1)OCCO2,1.50758604 |
| Mol3481,CCN1C(=O)C(=O)N(Cc2sc3ccccc3c2Cl)C1=O,-0.522878745 |
| Mol3482,O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)nc2ccccc12,-0.346787486 |
| Mol3483,O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl,-0.259637311 |
| Mol3484,CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O,-0.004364805 |
| Mol3485,CC(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2,0.281033367 |
| Mol3486,Cn1ncc2c(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncnc21,-0.886056648 |
| Mol3487,Cc1cnc(NC(=O)Cc2coc3cc(C)c(C)cc23)s1,-0.494850022 |
| Mol3488,N#CCn1c(C(=O)O)cc2ccccc21,1.618152733 |
| Mol3489,NC(=O)Cn1nnc(-c2ccccc2)n1,1.041392685 |
| Mol3490,C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21,-0.327902142 |
| Mol3491,CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1,-0.677780705 |
| Mol3492,COc1cc(OCc2ccccn2)ccc1/C=C/c1cc(/C=C/c2ccc3cc[nH]c3c2)[nH]n1,-0.214670165 |
| Mol3493,Cc1cc(C)cc(C(=O)NCCCNc2ncccn2)c1,1.720448737 |
| Mol3494,CCc1noc(COc2c(C)ccnc2Cl)n1,1.366982976 |
| Mol3495,CC(C)(C)Cc1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1,0.600972896 |
| Mol3496,Cc1nonc1C(=O)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12,1.786751422 |
| Mol3497,CN1CC(=O)N(CCOc2ccccc2)C1=O,1.36267093 |
|
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