name,smiles,IC50[nM],minimizedAffinity,delta_g,units
CHEMBL3402747_3400,Cc1noc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)n1,3400.0,-11.30952,-20.08,kcal/mol
CHEMBL3402752_30000,Cc1nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)cs1,30000.0,-10.28967,-18.097,kcal/mol
CHEMBL3402755_4200,Cc1ccc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nn1,4200.0,-11.74118,-21.802,kcal/mol
CHEMBL3402748_5300,Cc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)[nH]1,5300.0,-11.06936,-21.302,kcal/mol
CHEMBL3402751_2100,Cc1csc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)n1,2100.0,-10.64763,-20.767,kcal/mol
MCULE-4721994824,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(F)cc1F,,-11.25262,-10.071,kcal/mol
MCULE-2386526176,Cc1cccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c1,,-10.67666,-8.62,kcal/mol
MCULE-6678878892,COc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1,,-10.92588,-9.418,kcal/mol
MCULE-6565961720,O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)N2CCOCC2)c1,,-11.03503,-14.482,kcal/mol
MCULE-3932321497,O=C([O-])Cn1nnc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1,,-10.36852,-9.375,kcal/mol
MCULE-1726061910,Cc1cc(CNC(=O)c2ccc3c(c2)OCO3)c2ccccc2n1,,-10.51314,-13.624,kcal/mol
MCULE-2959955203,O=C(NC(c1ccccc1)c1ccccc1)c1cccc(-n2cnnn2)c1,,-10.71531,-10.224,kcal/mol
MCULE-1379220537,Cc1ccc(OCC(=O)Nc2ccncc2)c(-n2nc3ccccc3n2)c1,,-10.66619,-15.22,kcal/mol
MCULE-7452099688,O=C(COc1cccc2ccccc12)NCc1ccc2c(c1)OCO2,,-10.69065,-13.751,kcal/mol
MCULE-4121258535,O=C(COc1ccc2c(c1)CCCC2)NCCc1ccccc1,,-10.86736,-11.493,kcal/mol
MCULE-7765351095,O=C(COc1cccc2cccnc12)N1CCc2ccccc2C1,,-10.16094,-11.116,kcal/mol
MCULE-5644591924,Cc1[n-]c2nc(CCc3ccccc3)nn2c(=O)c1Cc1ccccc1,,-10.54723,-13.828,kcal/mol
MCULE-9518955388,CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc2c(c1)OCO2,,-10.55742,-16.434,kcal/mol
MCULE-6784179263,Cc1ccccc1Cc1c(C)[n-]c2nc3ccccc3n2c1=O,,-10.68075,-12.408,kcal/mol
MCULE-2877548184,Cc1cc(NC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)no1,,-10.31624,-12.646,kcal/mol
MCULE-3389759296,CCn1cc(-c2cc(C(=O)NCc3cn(C)nc3C)c3ccccc3n2)c(C)n1,,-10.83905,-13.619,kcal/mol
MCULE-1932544625,Cc1ccc(OCC(=O)NCc2ccc(-c3nn4cnnc4s3)cc2)c(C)c1,,-10.61505,-15.033,kcal/mol
MCULE-5773466283,O=C(c1cnc2cc3c(cc2c1)OCO3)c1ccccc1[O-],,-10.24258,-12.506,kcal/mol
MCULE-4763389893,Cc1ccc2nc(-c3cccnc3)cc(C(=O)NC3CC3)c2c1,,-10.14838,-10.929,kcal/mol
MCULE-9227998278,NC(=O)COc1ccc(-c2noc(CCc3ccccc3)n2)cc1,,-10.56812,-10.169,kcal/mol
MCULE-5898812552,O=c1[n-]nc(Cc2ccc3ccccc3n2)c2ccccc12,,-10.59691,-9.905,kcal/mol
MCULE-8211271807,O=C(Nc1cccc(-n2cnnn2)c1)C(c1ccccc1)c1ccccc1,,-10.70478,-13.444,kcal/mol
MCULE-6654294592,Cc1ccc2[n-]c(=O)c(CN(Cc3cccnc3)C(=O)c3cccnc3)cc2c1,,-10.57592,-12.211,kcal/mol
MCULE-1663796634,O=C(NCCc1nnc2ccccn12)c1ccc(-c2ccccc2)cc1,,-10.91405,-15.791,kcal/mol
MCULE-2300200318,O=C(NCCc1nnc2ccccn12)C(c1ccccc1)c1ccccc1,,-10.92307,-12.958,kcal/mol
MCULE-4896210140,Cc1ccc2[n-]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccncc3)cc2c1,,-10.63984,-11.992,kcal/mol
MCULE-7953426780,Cc1cc(-c2nnc3sc(CCCc4ccccc4)nn23)[n-]n1,,-11.08941,-14.935,kcal/mol
MCULE-9981301816,CN(c1ccccc1)c1nc(N)nc(Cn2c(=O)oc3ccc(Cl)cc32)n1,,-10.68826,-17.942,kcal/mol
MCULE-8396007285,Cc1ccc(Cc2c(C)nc3nc(CC(=O)NCc4ccccc4)nn3c2C)cc1,,-10.86634,-14.631,kcal/mol
MCULE-9888177120,Cc1nc2nc(CC(=O)N3CCOCC3)nn2c(C)c1Cc1ccc(Cl)cc1,,-10.25171,-11.529,kcal/mol
MCULE-3516363481,O=C(CCn1ccc2ccc(F)cc21)Nc1ccc(Cn2cncn2)cc1,,-10.86345,-10.315,kcal/mol
MCULE-3367254714,COc1cccc(OCc2nn3c(-c4cc(CC(C)C)[n-]n4)nnc3s2)c1,,-10.64052,-15.581,kcal/mol
MCULE-3596441616,CC(C)Cc1cc(-c2nnc3sc(COc4ccc(F)cc4)nn23)n[n-]1,,-10.57691,-14.122,kcal/mol
MCULE-4407877278,COc1cccc(NC(=O)C2CCN(c3ccc4nnc(C(C)C)n4n3)CC2)c1,,-10.29574,-17.831,kcal/mol
MCULE-1253706608,COc1cccc(-n2nnc(-c3nnc(Cc4ccccc4)o3)c2C)c1,,-10.84218,-14.615,kcal/mol
MCULE-1170914461,O=C(Cn1ccc2ccc(F)cc21)Nc1ccc2c(c1)OCCO2,,-10.60233,-7.614,kcal/mol
MCULE-5943209457,Cc1ccc(-c2nnc(Cn3c(=O)oc4ccc(C)cc43)o2)cc1,,-10.93315,-16.346,kcal/mol
MCULE-1757377347,Cc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)cc1,,-10.72116,-13.374,kcal/mol
MCULE-3615300359,CC(=O)c1cccc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)c1,,-10.73026,-14.153,kcal/mol
MCULE-4481374295,Cc1cc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)no1,,-10.27211,-14.652,kcal/mol
MCULE-4032372718,c1ccc(CCCc2nn3c(-c4ccccn4)nnc3s2)cc1,,-10.57328,-13.452,kcal/mol
MCULE-6562974937,CC(C)c1cc(-c2nnc3sc(COc4ccc(F)cc4)nn23)[n-]n1,,-10.58496,-13.707,kcal/mol
MCULE-3200957688,Fc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1,,-10.13743,-10.708,kcal/mol
MCULE-3950761319,O=C(CCn1c(=O)oc2ccc(Cl)cc21)Nc1ccc2c(c1)OCCO2,,-10.81505,-13.759,kcal/mol
MCULE-3162676041,Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(F)cc3)c12,,-10.21152,-11.779,kcal/mol
MCULE-9532814369,O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1,,-10.38592,-11.866,kcal/mol
MCULE-9769419093,COc1cccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1,,-10.57974,-11.108,kcal/mol
MCULE-7906517844,COc1ccc(OC)c(NC(=O)CN2C(=O)c3cccc4cccc2c34)c1,,-10.59093,-13.188,kcal/mol
MCULE-2462309047,O=C(CCCc1ccccc1)Nc1ccc(-n2cnnn2)cc1,,-10.84135,-11.158,kcal/mol
MCULE-7742482706,O=C(NCc1cccc(F)c1)c1ccccc1-n1cnc2ccccc2c1=O,,-10.66798,-9.051,kcal/mol
MCULE-8967044353,Cc1cccc(NC(=O)c2ccccc2-n2cnc3ccccc3c2=O)n1,,-10.79556,-10.192,kcal/mol
MCULE-9351016879,CCCN(Cc1cc2cc(C)ccc2[n-]c1=O)C(=O)c1ccncc1,,-10.36092,-12.337,kcal/mol
MCULE-3151846171,COc1ccc(-c2cc3nn(CC(=O)Nc4ccccc4)c(=O)n3c(C)n2)cc1,,-10.75512,-10.433,kcal/mol
MCULE-3887315061,Cc1ccc(CNC(=O)Cn2nc3cc(-c4ccccc4)nc(C)n3c2=O)cc1,,-10.62852,-11.857,kcal/mol
MCULE-8788659973,Cc1nc(-c2ccccc2)cc2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n12,,-10.7485,-10.231,kcal/mol
MCULE-7588327245,O=C(NCc1ccccn1)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1,,-10.50685,-13.832,kcal/mol
MCULE-9934155784,CCc1nc(OCC(=O)Nc2cccc(C(C)=O)c2)c2ccccc2n1,,-10.56451,-11.096,kcal/mol
MCULE-9780573963,Cc1ccc(C)c(S(=O)(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1,,-10.80696,-7.167,kcal/mol
MCULE-2635695914,Cc1cccc(S(=O)(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)c1,,-10.54991,-8.638,kcal/mol
MCULE-4396933041,O=c1c(S(=O)(=O)c2cccc(Cl)c2)c[n-]c2cc(F)c(F)cc12,,-10.66179,-11.585,kcal/mol
MCULE-9486774928,COCC(=O)N(Cc1cc2cc(OC)ccc2[n-]c1=O)c1cccc(C)c1,,-10.75956,-15.147,kcal/mol
MCULE-4302575436,Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)Nc4ccccc4)n3n2)n1,,-11.09082,-12.355,kcal/mol
MCULE-3876092044,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccccc4Cl)n3n2)n1,,-10.60601,-12.925,kcal/mol
MCULE-8120573755,Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)Nc4cccnc4)n3n2)n1,,-10.83037,-13.939,kcal/mol
MCULE-7965204318,Cc1noc(CCNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)n1,,-10.79813,-12.665,kcal/mol
MCULE-3134174905,Cc1nnnn1-c1ccc(C(=O)NCCn2ccc3ccc(Cl)cc32)cc1,,-10.87617,-16.902,kcal/mol
MCULE-6209384239,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccccc4)n3n2)n1,,-11.04241,-12.429,kcal/mol
MCULE-8678954477,COc1ccccc1NC(=O)CCc1nnc2ccc(-n3nc(C)cc3C)nn12,,-10.85228,-13.306,kcal/mol
MCULE-6726991053,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)NCc4cccc(F)c4)n3n2)n1,,-10.67907,-10.864,kcal/mol
MCULE-9262727780,Cc1nnnn1-c1cccc(C(=O)NCCn2ccc3ccc(Cl)cc32)c1,,-10.61305,-16.881,kcal/mol
MCULE-2666097109,Cc1ccnc(NC(=O)CCCc2nnc3ccc(-n4nc(C)cc4C)nn23)c1,,-11.11167,-14.374,kcal/mol
MCULE-2106587908,O=C(NCCn1ccc2ccc(Cl)cc21)c1ccc(-n2cnnn2)cc1,,-11.13486,-18.661,kcal/mol
MCULE-2654758372,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)NCc4ccccc4)n3n2)n1,,-10.70199,-11.198,kcal/mol
MCULE-2494917034,COc1ccc(NC(=O)CCc2nnc3ccc(-n4nc(C)cc4C)nn23)cc1,,-11.4276,-9.869,kcal/mol
MCULE-5992999139,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccccn4)n3n2)n1,,-10.69067,-15.172,kcal/mol
MCULE-1680595888,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)N(C)Cc4ccccc4)n3n2)n1,,-10.67836,-10.883,kcal/mol
MCULE-4788112194,Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)NCc4ccccc4)n3n2)n1,,-10.74607,-18.289,kcal/mol
MCULE-8381334710,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccccc4F)n3n2)n1,,-11.45572,-12.206,kcal/mol
MCULE-3398721774,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)NCCc4ccccc4)n3n2)n1,,-10.75325,-13.222,kcal/mol
MCULE-1912680749,Cc1ccnc(NC(=O)CCc2nnc3ccc(-n4nc(C)cc4C)nn23)c1,,-10.75581,-15.882,kcal/mol
MCULE-4963554582,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4cccnc4)n3n2)n1,,-10.94463,-11.324,kcal/mol
MCULE-8915434001,Cc1cc(C)n(-c2ccc3nnc(CCC(=O)Nc4ccncc4)n3n2)n1,,-10.67906,-11.829,kcal/mol
MCULE-8562729201,COc1ccc2c(ccn2CCNC(=O)c2ccc(-n3cnnn3)cc2)c1,,-10.57752,-15.569,kcal/mol
MCULE-7244373413,O=C(NCCn1ccc2ccc(Cl)cc21)c1cccc(-n2cnnn2)c1,,-11.35212,-15.321,kcal/mol
MCULE-8215016856,CC(=O)NCCc1nc2ccccc2n1CCOc1cccc(C)c1,,-10.67227,-10.28,kcal/mol
MCULE-4674422629,c1ccc(CCCc2nn3c(-c4cccnc4)nnc3s2)cc1,,-10.64484,-12.788,kcal/mol
MCULE-5732862212,O=C(Cc1noc2ccccc12)Nc1ccc(-n2cnnn2)cc1,,-10.54654,-13.22,kcal/mol
MCULE-1871670923,COc1ccc(CCNc2ccc3nnc(C(F)(F)F)n3n2)cc1,,-10.17596,-10.838,kcal/mol
MCULE-7536165780,O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)NCc1cccnc1,,-10.79319,-17.354,kcal/mol
MCULE-2814514970,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(F)c1,,-10.64238,-6.798,kcal/mol
MCULE-2252444704,COc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1,,-10.21744,-15.971,kcal/mol
MCULE-9512214259,O=C(Cc1cccc2ccccc12)Nc1ccccn1,,-10.16936,-8.834,kcal/mol
MCULE-8648948023,O=c1c(S(=O)(=O)c2cccc(F)c2)c[n-]c2cc(Cl)c(F)cc12,,-10.70534,-11.868,kcal/mol
MCULE-7643479422,COc1ccc(C)cc1NC(=O)Cn1ncc2c1-c1ccccc1OC2,,-10.81933,-11.259,kcal/mol
MCULE-9529076665,Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1cccc(C)n1)CO2,,-10.4119,-12.493,kcal/mol
MCULE-8509201159,COc1cccc(-c2noc(CCCC(=O)NCc3ccccc3)n2)c1,,-10.61087,-16.259,kcal/mol
MCULE-1671143178,O=C(Cn1nnnc1-c1ccccc1F)Nc1cnc2ccccc2c1,,-10.70391,-13.714,kcal/mol
MCULE-7193940561,Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cnc2ccccc2c1,,-10.84803,-9.538,kcal/mol
MCULE-2197453289,O=C(Cc1cccc2ccccc12)Nc1ccc(-n2cnnn2)cc1,,-10.73884,-13.028,kcal/mol
MCULE-5072874120,O=C(Nc1ccc(-n2cnnn2)cc1)C(c1ccccc1)c1ccccc1,,-10.15233,-14.31,kcal/mol
MCULE-6684879177,Cc1cccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)c1C,,-10.35507,-14.956,kcal/mol
MCULE-3924597566,CCc1noc(-c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)n1,,-10.19239,-10.676,kcal/mol
MCULE-2812937799,CCc1noc(-c2ccc(OCC(=O)Nc3nnc(C(C)C)s3)cc2)n1,,-10.18017,-15.099,kcal/mol
MCULE-1138334142,Cc1cc(=O)n2nc(CN(C(=O)CCc3ccccc3)c3ccccc3)nc2[n-]1,,-11.2738,-10.338,kcal/mol
MCULE-6471901540,Cc1ccc(C(=O)N(Cc2nc3[n-]c(C)cc(=O)n3n2)c2ccc(F)cc2)cc1,,-10.59249,-11.902,kcal/mol
MCULE-5053688913,Cc1cc(=O)n2nc(CN(C(=O)c3ccccc3C)c3ccc(F)cc3)nc2[n-]1,,-10.76952,-10.773,kcal/mol
MCULE-1142769589,Cc1cccc(N(Cc2nc3[n-]c(C)cc(=O)n3n2)C(=O)Cc2ccccc2)c1,,-11.47694,-9.841,kcal/mol
MCULE-7765541796,Cc1cccc(N(Cc2nc3[n-]c(C)cc(=O)n3n2)C(=O)c2ccccc2)c1,,-10.46422,-10.765,kcal/mol
MCULE-4726711840,Cc1cccc(N(Cc2nc3[n-]c(C)cc(=O)n3n2)C(=O)c2ccc(F)cc2)c1,,-10.62096,-10.934,kcal/mol
MCULE-1021127607,Cc1cccc(N(Cc2nc3[n-]c(C)cc(=O)n3n2)C(=O)c2ccccc2F)c1,,-10.60049,-11.766,kcal/mol
MCULE-1942718835,Cc1cccc(C(=O)N(Cc2nc3[n-]c(C)cc(=O)n3n2)c2cccc(C)c2)c1,,-10.67098,-8.949,kcal/mol
MCULE-1757705177,Cc1nc2nc(-c3cccnc3)nn2c(C)c1CC(=O)Nc1ccc(F)cc1,,-10.86936,-11.083,kcal/mol
MCULE-5836911838,Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4cccnc4)nn3c2C)c1,,-11.00671,-12.7,kcal/mol
MCULE-6628310961,COc1ccc(NC(=O)Cc2c(C)nc3nc(-c4cccnc4)nn3c2C)cc1,,-10.64552,-11.384,kcal/mol
MCULE-3947701249,Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4cccnc4)nn3c2C)cc1,,-10.62075,-12.556,kcal/mol
MCULE-7888324694,O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-n2cnnn2)cc1,,-10.70666,-14.254,kcal/mol
MCULE-6247477037,Cc1cccc(-c2nc(CNC(=O)CCc3nc(-c4ccccc4)no3)no2)c1,,-10.59939,-12.309,kcal/mol
MCULE-1017947447,Cc1nc(-c2cccc(C(=O)NCc3noc(Cc4ccccc4)n3)c2)no1,,-10.80186,-12.858,kcal/mol
MCULE-9024099865,Cc1nc(-c2cccc(C(=O)NCc3noc(CCc4ccccc4)n3)c2)no1,,-10.94449,-12.067,kcal/mol
MCULE-8357737044,O=C(CCc1nc(-c2ccccc2)no1)NCc1noc(Cc2ccccc2)n1,,-10.81625,-15.966,kcal/mol
MCULE-3983669579,Cc1cccc(CCNC(=O)Cc2noc3ccc(C)cc23)c1,,-10.57932,-14.324,kcal/mol
MCULE-2019583543,COc1cccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)c1,,-10.63146,-16.547,kcal/mol
MCULE-4371159736,COc1ccc(NC(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)cc1,,-10.58073,-21.999,kcal/mol
MCULE-8550521527,CC1CCN(c2ccc3nnc(CCC(=O)Nc4cccc(F)c4)n3n2)CC1,,-10.96797,-14.471,kcal/mol
MCULE-4368318020,CC1CCN(c2ccc3nnc(CCC(=O)Nc4ccc(F)cc4)n3n2)CC1,,-11.11031,-15.592,kcal/mol
MCULE-8575447219,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn23)nc1,,-10.83837,-13.806,kcal/mol
MCULE-3460214887,COc1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn23)cc1,,-10.73342,-13.942,kcal/mol
MCULE-5682713065,O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1ccc(F)cc1F,,-11.15882,-10.906,kcal/mol
MCULE-1190447450,O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1ccccc1F,,-10.84175,-12.726,kcal/mol
MCULE-2861268893,O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1ccc(F)cc1,,-10.85767,-13.366,kcal/mol
MCULE-6310527625,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn23)cc1F,,-11.12402,-11.849,kcal/mol
MCULE-4827650489,Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(N3CCCC3)nn12,,-10.91969,-13.043,kcal/mol
MCULE-1071339839,Cc1ccccc1NC(=O)CCc1nnc2ccc(N3CCCC3)nn12,,-10.59584,-12.059,kcal/mol
MCULE-6005835920,CCOc1ccc(NC(=O)CCc2nnc3ccc(N(CC)CC)nn23)cc1,,-10.60683,-15.298,kcal/mol
MCULE-6086081537,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)nc1,,-10.83457,-15.364,kcal/mol
MCULE-8126246194,O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1ccc(F)cc1F,,-11.19179,-14.375,kcal/mol
MCULE-4221428020,O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1ccccc1F,,-10.92505,-16.053,kcal/mol
MCULE-9221895875,O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1ccc(F)cc1,,-10.91761,-14.758,kcal/mol
MCULE-9478019102,CCOc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1,,-10.95724,-20.039,kcal/mol
MCULE-4039367673,COc1cccc(CNC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)c1,,-10.57971,-11.267,kcal/mol
MCULE-6141987101,O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1cc(F)ccc1F,,-11.41394,-13.238,kcal/mol
MCULE-3108210583,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1F,,-11.27719,-17.298,kcal/mol
MCULE-2784211543,O=C(CCc1nnc2ccc(N3CCCCC3)nn12)Nc1ccc(F)c(F)c1,,-10.80482,-13.887,kcal/mol
MCULE-8927244993,Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(N3CCCCC3)nn12,,-10.65493,-14.412,kcal/mol
MCULE-1381359512,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1,,-11.18824,-16.704,kcal/mol
MCULE-8211117886,Cc1ccccc1NC(=O)CCc1nnc2ccc(N3CCCCC3)nn12,,-10.70479,-13.864,kcal/mol
MCULE-7115601029,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)nc1,,-10.61763,-15.147,kcal/mol
MCULE-6925316888,O=C(CCc1nnc2ccc(N3CCOCC3)nn12)Nc1ccc(F)cc1,,-10.69789,-11.947,kcal/mol
MCULE-3882874985,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)cc1F,,-11.03394,-14.627,kcal/mol
MCULE-5451525619,Cc1cc(F)ccc1NC(=O)CCc1nnc2ccc(N3CCOCC3)nn12,,-10.81367,-12.907,kcal/mol
MCULE-3135972290,Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)cc1,,-10.70005,-15.098,kcal/mol
MCULE-6554474871,Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccc(F)cc1,,-11.0886,-13.392,kcal/mol
MCULE-7934629939,Cc1cc(C)n(-c2cc(OCC3CCN(c4ncc(F)cn4)CC3)ncn2)n1,,-10.41529,-16.21,kcal/mol
MCULE-1522238574,Cc1cccc(Cc2cnc(-n3nnc(C(=O)[O-])c3C)s2)c1,,-10.61804,-10.928,kcal/mol
MCULE-9698574489,CCc1cnc(OC2CCN(C(=O)Cn3ccc4ccccc43)CC2)nc1,,-10.21041,-11.705,kcal/mol
MCULE-1044116829,CCCc1noc(-c2ccn3c(CNC(=O)Cc4ccc(C)cc4)nnc3c2)n1,,-10.6144,-15.713,kcal/mol
MCULE-8347193862,CCCc1noc(-c2ccn3c(CNC(=O)Cc4ccc(F)cc4)nnc3c2)n1,,-10.88811,-13.961,kcal/mol
MCULE-1727968948,O=C(NCc1cccn2nccc12)c1conc1-c1ccccc1,,-10.65618,-9.646,kcal/mol
MCULE-3006750494,O=C(CCCc1nc(-c2cccnc2)no1)NCc1cccn2nccc12,,-10.57693,-14.443,kcal/mol
MCULE-4368488984,CN(C)CCOc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1,,-10.59464,-19.474,kcal/mol
MCULE-5050306349,Cc1ccc(F)cc1-c1nccn1-c1ccc2c(c1)C(=O)NCC2,,-10.70339,-12.735,kcal/mol
MCULE-5886495781,O=C(COc1ccc(-n2cnnn2)cc1)NCc1cccn2nccc12,,-10.62812,-10.799,kcal/mol
MCULE-9052798243,O=C(NCc1cccnc1-n1cncn1)c1c(Cl)ccc2ncccc12,,-10.73983,-15.21,kcal/mol
MCULE-1685741037,Cc1ccc(-c2nccn2-c2ccc3c(c2)ncn3CCO)nc1,,-10.24919,-13.386,kcal/mol
MCULE-1380490524,COc1cc(C)ccc1-c1nccn1-c1ccc2c(c1)ncn2CCO,,-11.11326,-13.792,kcal/mol
MCULE-7361134633,OCCn1cnc2cc(-n3ccnc3-c3ccncc3Cl)ccc21,,-10.60967,-12.19,kcal/mol
MCULE-4203131812,O=C(NCc1cn2ccncc2n1)c1c(Cl)ccc2ncccc12,,-10.27333,-15.643,kcal/mol
MCULE-6993548703,Cc1nc(C2CCNCC2)nc2c1CCC(=O)N2CCc1ccccc1,,-10.30385,-17.21,kcal/mol
MCULE-2425108705,CCc1ncc(CN2CCC(Cc3cc(Nc4cnccn4)ncn3)CC2)cn1,,-11.22231,-21.926,kcal/mol
MCULE-1807159407,CCc1nnc(Nc2cccc(C3CCN(c4ccncn4)CC3)n2)s1,,-10.25252,-17.408,kcal/mol
MCULE-7530263985,O=C([O-])c1ccccc1-n1cc(Cn2cnc3ccccc32)cn1,,-10.59091,-12.069,kcal/mol
MCULE-8955410567,Cc1cc(CC2CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)ccn1,,-10.3252,-14.657,kcal/mol
MCULE-8937813289,Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3cccnc3)CC2)ncn1,,-10.17898,-14.21,kcal/mol
MCULE-8921368362,COc1ncc(CN2CCC(Cc3cc(-c4c(C)noc4C)ncn3)CC2)cn1,,-10.65301,-22.594,kcal/mol
MCULE-5567928197,Cc1nc(-c2c(C)noc2C)cc(C2CCN(C(=O)c3cccnn3)CC2)n1,,-10.57278,-13.473,kcal/mol
MCULE-1699717219,O=C(c1cccnc1)N1CCC(CCc2ccnc(Nc3cnccn3)c2)CC1,,-10.77478,-16.815,kcal/mol
MCULE-7233522534,Cn1cncc1-c1cc(CC2CCN(C(=O)c3ccncc3)CC2)ccn1,,-10.39316,-12.643,kcal/mol
MCULE-6282449450,c1ccc(Nc2cc(CC3CCN(c4ncccn4)CC3)ncn2)nc1,,-10.13909,-10.686,kcal/mol
MCULE-8963834382,NC(=O)CN1CCC(c2cccc(Cc3ccccc3F)n2)CC1,,-10.52725,-14.087,kcal/mol
MCULE-8246449851,O=C(CCc1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1,,-10.1709,-10.707,kcal/mol
MCULE-7262402704,Fc1ccccc1N1CCN(Cc2ccnc(-c3cccnc3)n2)CC1,,-10.20346,-17.267,kcal/mol
MCULE-9980752450,OCc1nnc2n1CCN(Cc1cccc(OCc3ccc(F)cc3)c1)C2,,-10.73368,-18.778,kcal/mol
MCULE-2718889579,C[C@H](NC(=O)Cc1ccc(F)cc1)c1nc2cc(-c3ccccc3F)ncn2n1,,-10.61829,-11.403,kcal/mol
MCULE-4694341418,Cc1cc(-c2cnc(C)nc2CCNC(=O)CCc2ccc3c(c2)OCO3)on1,,-11.12829,-12.672,kcal/mol
MCULE-3109833545,Cc1noc(C)c1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cnccn3)o2)CC1,,-10.14948,-13.199,kcal/mol
MCULE-4387017929,COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)c3cccnc3)n2)cc1,,-10.79535,-14.265,kcal/mol
MCULE-1996331857,COc1ccc(-c2cc(-c3cccnc3)n(CCNC(=O)c3ccncc3)n2)cc1,,-10.5744,-13.779,kcal/mol
MCULE-1750742146,COc1cccc(-c2cc(-c3cccnc3)nn2CCNC(=O)c2cccnc2)c1,,-10.96017,-9.55,kcal/mol
MCULE-4374735015,Cc1cnc(-c2nc(C3CCN(Cc4cc(F)ccc4F)CC3)no2)cn1,,-10.488,-17.303,kcal/mol
MCULE-1635887995,Cc1ncc(-c2ccccn2)c(CCNC(=O)Cc2ccc3c(c2)OCO3)n1,,-11.52546,-15.102,kcal/mol
MCULE-4096385473,Cc1ncc(-c2ccccn2)c(CCNC(=O)CN2Cc3ccccc3C2=O)n1,,-10.4944,-13.252,kcal/mol
MCULE-3090526615,Cc1ncc(-c2ccncc2)c(CCNC(=O)Cc2ccccn2)n1,,-10.23004,-12.41,kcal/mol
MCULE-3013345987,Cc1ncc(-c2ccncc2)c(CCNC(=O)Cc2ccc3c(c2)OCO3)n1,,-11.32867,-10.294,kcal/mol
MCULE-2458085142,Cc1ncc(-c2ccncc2)c(CCNC(=O)c2c(C)noc2C)n1,,-10.59913,-11.065,kcal/mol
MCULE-9242759528,COc1ccc(-c2cc3nc(CCNC(=O)c4ccc(C)nc4)nn3cn2)cc1,,-10.21255,-12.129,kcal/mol
MCULE-1716381490,O=C(NCc1nnc(-c2cnccn2)o1)C(c1ccccc1)c1ccccc1,,-10.48361,-8.709,kcal/mol
MCULE-8368029080,COc1ccc(CC(=O)NCc2nnc(-c3cnccn3)o2)c2ccccc12,,-10.57543,-9.327,kcal/mol
MCULE-9716857998,Cc1noc(C)c1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1,,-11.47664,-13.666,kcal/mol
MCULE-2378929170,Cc1cc2nnn(C[C@@H](C)NC(=O)CCn3nnc4ccccc43)c2cc1C,,-10.67094,-10.905,kcal/mol
MCULE-8465964470,O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(-n2cnnc2)c1,,-10.97921,-12.371,kcal/mol
MCULE-3519935209,COc1cccc(C2(NC(=O)c3cccc(-n4cnnc4)c3)CCCC2)c1,,-10.39056,-11.792,kcal/mol
MCULE-7693589843,O=C(Cn1ccc2ccc(F)cc21)NCc1nc(-c2ccccc2)no1,,-10.73044,-15.234,kcal/mol
MCULE-5001023476,O=C(Cn1ccc2ccc(F)cc21)NCc1noc(-c2ccccc2)n1,,-10.60289,-14.338,kcal/mol
MCULE-6360384194,O=C(Cn1ccc2ccc(F)cc21)Nc1cccc(C(=O)N2CCOCC2)c1,,-10.70825,-11.093,kcal/mol
MCULE-3982440162,CCc1nc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)no1,,-11.52765,-11.984,kcal/mol
MCULE-6138274762,CCc1cc(CNC(=O)c2cc(-c3cn(C)nc3C)nc3ccccc23)on1,,-10.78747,-14.164,kcal/mol
MCULE-3620501939,O=C(NCCc1cnccn1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3,,-10.25462,-8.438,kcal/mol
MCULE-9751691310,Cc1noc(-c2ccccc2OCC(=O)NCCc2nc3ccccc3n2C)n1,,-10.61457,-12.589,kcal/mol
MCULE-3412707357,Cn1cc(-c2cc(C(=O)NCCc3cnccn3)c3ccccc3n2)cn1,,-11.30823,-9.011,kcal/mol
MCULE-8932400416,Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(-n4nnnc4C)c3)c2c1,,-11.49224,-12.67,kcal/mol
MCULE-4327682506,O=C(NCc1cccc(N2CCCCC2)c1)c1ccc(-n2cnnn2)cc1,,-10.49233,-17.909,kcal/mol
MCULE-7700672687,Cn1cc(CCNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(F)ccc21,,-11.08879,-17.723,kcal/mol
MCULE-1869929603,Cn1cc(CCNC(=O)c2ccc(-n3cnnc3)cc2)c2cc(F)ccc21,,-10.74303,-16.352,kcal/mol
MCULE-8763986119,Cc1cccc(OC2CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)c1,,-10.28018,-17.511,kcal/mol
MCULE-8094865010,Cn1cc(CCNC(=O)c2ccc(-n3cnnn3)cc2)c2cc(Cl)ccc21,,-10.62231,-15.46,kcal/mol
MCULE-4253636263,Cc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1,,-10.5172,-15.595,kcal/mol
MCULE-5973354610,COc1ccc(CCNc2nc(C)nc3c2nnn3Cc2ccccc2)cc1,,-10.58734,-16.012,kcal/mol
MCULE-6562139877,CCCc1nc(NCCN2CCCCC2)c2nnn(Cc3ccccc3F)c2n1,,-10.3561,-19.92,kcal/mol
MCULE-6425780175,COc1cc(CNCc2cc(-c3cccc(C)c3)cn3nnnc23)cc(OC)c1,,-10.64037,-17.916,kcal/mol
MCULE-1256640220,Cc1nnc2ccc(N3CC(N(C)c4nccc(C(F)(F)F)n4)C3)nn12,,-10.47077,-11.042,kcal/mol
MCULE-5517407278,FC(F)(F)c1cc(OC2CN(c3ncnc4cnccc34)C2)ccn1,,-10.71842,-12.274,kcal/mol
MCULE-7933691815,FC(F)(F)c1ccnc(OC2CCN(c3cnc4ccccc4n3)CC2)n1,,-10.42807,-11.07,kcal/mol
MCULE-4129683950,NC(=O)CCCn1cc(-n2ccnc2-c2cccc3ncccc23)cn1,,-10.5582,-14.881,kcal/mol
MCULE-8153021706,CNC(=O)CCCn1cc(-n2ccnc2-c2cccc3cnccc23)cn1,,-10.33862,-12.677,kcal/mol
MCULE-9517136485,NC(=O)Cc1cccc(-n2ccnc2-c2ccc3cccc(F)c3n2)c1,,-11.05263,-13.388,kcal/mol
MCULE-9632997917,Cc1nc(Cn2ccnc2-c2cccc3cnccc23)n[n-]1,,-10.35565,-13.242,kcal/mol
MCULE-6210950843,CN(CCn1cc(C(=O)NCc2ccncc2)nn1)C1Cc2ccccc2C1,,-10.1533,-19.373,kcal/mol
MCULE-2420185991,Cc1cn2nc(OCC3CCN(c4ccc(C(F)(F)F)nn4)CC3)ccc2n1,,-10.54563,-14.85,kcal/mol
MCULE-6857872564,NC(=O)c1cc(OC2CN(c3ncnc4ccc(F)cc34)C2)ccn1,,-10.99166,-14.242,kcal/mol
MCULE-4029312481,Cn1cc(-c2ccc(CCNC(=O)Cn3c(=O)oc4ccccc43)cc2)cn1,,-10.75035,-16.955,kcal/mol
MCULE-6370621166,O=C(Cn1nnc2ccccc21)c1ccc2ccccc2c1,,-10.45049,-11.173,kcal/mol
MCULE-8019410247,Cc1cc(C)n(-c2cccc(CN(C)C(=O)c3cc(-n4cnnn4)[n-]n3)c2)n1,,-10.58272,-12.951,kcal/mol
MCULE-4316099270,Cc1nccn1-c1ccccc1CNC(=O)c1ccn2ncnc2c1,,-10.6047,-11.589,kcal/mol
MCULE-8767874980,CC(=O)Nc1ccc2nc(-c3nccn3CCc3cnn(C)c3)ccc2c1,,-10.32264,-16.824,kcal/mol
MCULE-9598844552,CN(CCn1cnc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1,,-10.60785,-10.166,kcal/mol
MCULE-7015182308,NC(=O)Cc1nc(-c2cccc(N3CCCC3=O)c2)n(-c2ccc(F)cc2F)n1,,-10.731,-12.43,kcal/mol
MCULE-7261308163,CCOc1ccccc1N1CCN(c2ncnc3ccc(C)nc23)CC1,,-10.13459,-16.875,kcal/mol
MCULE-7651042122,Cc1cccc(-n2nc(CC(N)=O)nc2-c2cccc(N3CCCC3=O)c2)n1,,-10.64512,-8.437,kcal/mol
MCULE-7076551619,Cc1nc(-c2cccc(C(=O)N(C)CCn3cnc4ccccc43)c2)no1,,-10.81067,-14.747,kcal/mol
MCULE-4335486693,NC(=O)c1cc(OC2CN(c3ccnc4ccccc34)C2)ccn1,,-10.99741,-10.812,kcal/mol
MCULE-8837538947,NC(=O)c1cc(OC2CN(C(=O)Cc3cccc4ccccc34)C2)ccn1,,-10.86769,-10.995,kcal/mol
MCULE-5199431922,CN(Cc1c[n-]nc1-c1ccc(F)cc1)C(=O)c1ccn2nccc2c1,,-10.19659,-13.915,kcal/mol
MCULE-5453632709,CC(C)n1cc(CCNC(=O)c2ccc(Cn3cnnn3)cc2)c2ccccc21,,-10.72018,-16.038,kcal/mol
MCULE-6723697744,Cc1nc2ncnn2c(C)c1CCC(=O)Nc1noc2ccc(F)cc12,,-10.68882,-8.741,kcal/mol
MCULE-6144381471,O=C(CCc1ccc2c(c1)OCO2)Nc1cnc2ccccn2c1=O,,-10.6779,-12.99,kcal/mol
MCULE-6109963063,Cc1ncccc1Oc1ncnc(-c2cncc([O-])c2)c1C,,-10.30669,-6.695,kcal/mol
MCULE-6342989946,Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1ccncc1,,-10.59102,-12.489,kcal/mol
MCULE-8352652461,Cc1nc2c(NC(=O)CCc3nc(-c4ccccc4F)no3)cccn2n1,,-10.73858,-11.587,kcal/mol
MCULE-7325036447,Cc1nc2nc(Cc3ccccc3)nn2c([O-])c1Cc1ccccc1,,-10.17157,-13.323,kcal/mol
MCULE-5119161729,Cc1nc2nc(C)c(Cc3cccc4ccccc34)c([O-])n2n1,,-10.65481,-14.618,kcal/mol
MCULE-4124383440,Cc1nc2ncnn2c([O-])c1Cc1cccc2ccccc12,,-10.69995,-12.931,kcal/mol
MCULE-4381113665,Cc1[n-]n(-c2ccccc2)c(=O)c1CCc1ccccc1,,-10.36663,-15.603,kcal/mol
MCULE-4033437981,Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCc1ccccc1,,-10.69666,-9.671,kcal/mol
MCULE-2842088129,Cc1[n-]c2nc(C(F)(F)F)nn2c(=O)c1Cc1cccc2ccccc12,,-11.92578,-10.594,kcal/mol
MCULE-7423978168,Cc1cnnc(-c2ccc(C(=O)NCCc3nc(C)c4c(n3)CCC4)cc2)c1C,,-10.73392,-16.439,kcal/mol
MCULE-1151797413,O=C(Cc1cccc(C(F)(F)F)c1)N1CC(c2nnc3ccccn23)C1,,-10.58724,-16.697,kcal/mol
MCULE-3928071470,O=C(NCCn1cncn1)c1cc(C(c2ccccc2)c2ccccc2)no1,,-10.62126,-14.331,kcal/mol
MCULE-4212532727,O=C(COc1ccc(-n2cnnn2)cc1)NCc1cccc2ncsc12,,-10.60192,-8.746,kcal/mol
MCULE-5732666144,NC(=O)c1ccc2cccc(OCc3cnc4ccccn34)c2n1,,-10.62468,-11.583,kcal/mol
MCULE-5876799510,Cc1nn(C)cc1-c1cc(C(=O)NCc2ccc(F)cc2)c2c(C)noc2n1,,-11.192,-14.763,kcal/mol
MCULE-6320867531,Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCc1ccccc1F,,-10.79249,-11.252,kcal/mol
MCULE-4006594250,COc1ccc(OC)c(NC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c1,,-10.92422,-17.265,kcal/mol
MCULE-8833093142,O=C(CCc1ccccc1)NCCn1c(-c2ccncc2)nc2cccnc21,,-10.34345,-12.737,kcal/mol
MCULE-2996580916,O=C(Nc1cccnc1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2,,-10.23772,-14.094,kcal/mol
MCULE-7381248814,Cn1nccc1C(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1,,-10.73445,-9.655,kcal/mol
MCULE-3284203228,Cc1nn(C)cc1-c1ccnc(N(C)Cc2cnn(-c3ccc(F)cc3)c2)n1,,-10.66686,-19.949,kcal/mol
MCULE-9558206856,CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NCCc2ccc(F)cc2)C1,,-10.54802,-7.807,kcal/mol
MCULE-1600197579,Cc1nnc(CNC(=O)c2ccc3c(c2)CN(CCc2ccncc2)C3=O)o1,,-10.29302,-16.848,kcal/mol
MCULE-6802550561,COc1ccc(-c2cc(CNC(=O)Cc3cnc4c(C)cccn34)on2)cc1,,-10.6875,-13.188,kcal/mol
MCULE-2722001360,O=C(NCc1ccon1)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1,,-10.18656,-17.25,kcal/mol
MCULE-3478403100,c1ccc(CCc2n[n-]c(-c3noc4c3CCCC4)n2)cc1,,-10.51404,-15.454,kcal/mol
MCULE-1960979294,Cn1nnc(-c2ccc(C(=O)NCc3cnn4ccccc34)cc2)n1,,-10.38921,-14.744,kcal/mol
MCULE-3836638363,COc1ncc(-c2nccn2CCc2nc(C)cc(C(F)(F)F)n2)cn1,,-10.20014,-6.794,kcal/mol
MCULE-9787071584,O=C(Nc1ccccc1)c1cccc(CN2CCN(c3cnccn3)CC2)c1,,-10.68213,-20.525,kcal/mol
MCULE-8301864859,O=C(NCCN1CCOC1=O)c1ccc2oc(CCc3ccccc3)nc2c1,,-10.35577,-10.001,kcal/mol
MCULE-8280047688,CCCNC(=O)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1,,-10.58874,-14.382,kcal/mol
MCULE-3208520034,Cc1nc2ncccn2c1C(=O)NCc1ccccc1-n1ccnc1,,-10.61756,-15.251,kcal/mol
MCULE-8064126952,O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)C1(Cn2cccn2)CC1,,-10.32169,-11.512,kcal/mol
MCULE-8711642263,Cc1ccc(Oc2ncccc2CNC(=O)c2ccc3nccnc3c2)cn1,,-10.25159,-14.475,kcal/mol
MCULE-7097696579,COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC(C(N)=O)CC2)c1,,-10.56625,-22.995,kcal/mol
MCULE-2812043585,Cc1c(-c2nc(CCc3ccccc3)n[n-]2)cnc2ccnn12,,-10.75431,-8.818,kcal/mol
MCULE-4371565859,Cn1cc(CCNC(=O)c2cn(C(c3ccccc3)c3ccccc3)nn2)cn1,,-10.64713,-14.542,kcal/mol
MCULE-3642866491,O=C1OCCN1CCNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1,,-10.39354,-15.835,kcal/mol
MCULE-4308977909,Cc1ccc(-c2cc(C(=O)NCCc3ncnn3C)c3ccccc3n2)cc1,,-10.91294,-11.119,kcal/mol
MCULE-9286022486,Cc1cc(-c2nnc(CCC(=O)NCc3cccc(C(F)(F)F)c3)o2)no1,,-10.80095,-12.269,kcal/mol
MCULE-7773111677,COc1cccc(CNC(=O)c2cccc(-c3noc(C)n3)c2)c1,,-10.41784,-9.618,kcal/mol
MCULE-3782799151,Cc1nc(-c2cccc(C(=O)NCc3ccc(F)cc3)c2)no1,,-10.33169,-13.262,kcal/mol
MCULE-3695131890,CC(=O)Nc1ccc(-c2cn(CCc3nc(C)c4c(n3)CCC4)nn2)cc1,,-10.26885,-14.356,kcal/mol
MCULE-1789269903,CN(Cc1nc(-c2cnccn2)no1)Cc1cccc2ccccc12,,-10.50737,-15.691,kcal/mol
MCULE-4553915935,COc1cccc(-c2cnnc(NCc3cnn(-c4ccccc4OC)c3)n2)c1,,-11.07015,-19.313,kcal/mol
MCULE-4297826596,O=C(Nc1ccccn1)c1ccc2oc(=O)n(Cc3ccc(F)cc3)c2c1,,-10.91024,-18.226,kcal/mol
MCULE-1342327338,Cc1ccc(Cn2c(=O)oc3ccc(C(=O)NCc4cccnc4)cc32)cc1,,-10.55677,-15.871,kcal/mol
MCULE-9921774000,Cc1ccc2[nH]cc(CN(C)C(=O)c3cccc(-n4cnnc4)c3)c2c1,,-10.60704,-10.191,kcal/mol
MCULE-4685737060,CC(=O)Nc1cccc(-c2nc(Cn3c(=O)oc4ccccc43)no2)c1C,,-10.8398,-14.074,kcal/mol
MCULE-6926901131,Cc1ccc(-c2cc(C(=O)NCCc3nncn3C)c3ccccc3n2)cc1,,-10.70293,-11.508,kcal/mol
MCULE-7275024880,O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)NCCc1ccccc1F,,-10.57337,-13.99,kcal/mol
MCULE-7007491773,[NH-]S(=O)(=O)c1ccc(CCn2ccnc2-c2cccc3cccnc23)cc1,,-11.21884,-8.576,kcal/mol
MCULE-4545679922,Cn1c(CCc2cccc(NC(=O)c3cnccn3)c2)nc2ccccc21,,-11.42947,-11.116,kcal/mol
MCULE-9069555342,CN(CCc1ccccn1)C(=O)c1cc(-c2cnn(C)c2)nc2ccc(F)cc12,,-10.73311,-13.864,kcal/mol
MCULE-2188635943,Cc1ccc(-c2cc(C(=O)NCCn3cnnc3)c3ccccc3n2)cc1,,-10.79111,-12.859,kcal/mol
MCULE-3190055453,Cc1nn(C)c2nc(-c3cccnc3)nc(NCCc3ccncc3)c12,,-10.27189,-9.504,kcal/mol
MCULE-8215689769,Cc1cc(-c2nnc(CCC(=O)NCc3ccc(OC(F)(F)F)cc3)o2)no1,,-10.67768,-10.673,kcal/mol
MCULE-3679491761,Cc1ncc(C(=O)NCc2cccnc2N(C)CCc2ccccn2)c(C)n1,,-10.184,-15.547,kcal/mol
MCULE-2977082412,O=C(NCCc1cccnc1)c1cn(Cc2cccc3ccccc23)nn1,,-10.75723,-11.547,kcal/mol
MCULE-8617884790,Cc1cccc(CNC(=O)c2cc(COc3cccc4cnccc34)on2)n1,,-10.67927,-10.188,kcal/mol
MCULE-9409306369,Fc1ccc(Cc2noc(-c3ccc(NCCc4cnccn4)nc3)n2)cc1,,-10.82767,-16.01,kcal/mol
MCULE-3114418035,Cn1ccnc1CNc1ccc(-c2nc(Cc3ccc(F)cc3)no2)cn1,,-10.80877,-14.349,kcal/mol
MCULE-9859012947,Cc1ccc(C)c(OCCN(C)C(=O)c2cccc(-c3ncn[n-]3)c2)c1,,-10.59177,-11.063,kcal/mol
MCULE-5435587578,Fc1ccc(Cc2noc(-c3ccc(NCCn4cccn4)nc3)n2)cc1,,-10.60033,-14.896,kcal/mol
MCULE-9486559078,COCCc1nc2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2o1,,-10.33237,-14.144,kcal/mol
MCULE-6411393894,c1ccc2c(-c3cnnc(NCCc4cnccn4)n3)cccc2c1,,-11.18782,-12.38,kcal/mol
MCULE-1675173076,O=C1OCCN1CCNc1nncc(-c2cccc3ccccc23)n1,,-10.41777,-10.963,kcal/mol
MCULE-6361194536,COCCN(C)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1,,-10.54676,-14.42,kcal/mol
MCULE-8150167076,NC(=O)[C@@H]1CCCN1c1ccc(-c2nc(CCCc3ccccc3)no2)cn1,,-10.16305,-14.682,kcal/mol
MCULE-9287592956,O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1cccnc1,,-10.66686,-18.742,kcal/mol
MCULE-2169508145,O=C(c1ccc(-n2cccn2)cc1)N1CCC(CO)(Cc2ccccc2)CC1,,-10.48378,-16.369,kcal/mol
MCULE-6721147624,COc1ccc(Cc2noc(-c3ccc(NCCc4cnccn4)nc3)n2)cc1,,-10.37813,-13.021,kcal/mol
MCULE-6323517500,Cc1cnccc1-n1nc(C(C)C)nc1Cc1ccc2c(c1)NC(=O)CO2,,-10.6783,-11.495,kcal/mol
MCULE-6855487986,CN1CCC(Cc2noc(-c3cn(Cc4c(F)cccc4F)nn3)n2)CC1,,-10.27646,-13.045,kcal/mol
MCULE-8130844885,CCOc1ccc(-c2c[n-]c(Cn3c(=O)oc4ccccc43)n2)cc1,,-10.90697,-12.73,kcal/mol
MCULE-7724762118,Cc1ccc(-c2ccnc(NCc3ccccc3-n3cncn3)n2)c(C)n1,,-10.60719,-11.17,kcal/mol
MCULE-5567910339,Cc1ccc(NC(=O)CCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1,,-10.66669,-14.731,kcal/mol
MCULE-7457355738,CC(=O)c1ccc(NC(=O)CCc2c(C)nn3cnnc3c2C)cc1,,-10.69718,-11.369,kcal/mol
MCULE-5661099314,Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc(-c2ccccn2)no1,,-10.58592,-15.877,kcal/mol
MCULE-9560176549,O=C(NCCN1CCOCC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1,,-10.50603,-20.11,kcal/mol
MCULE-6454345644,Clc1cccc(-c2cnnc(NCCc3nc(-c4cccnc4)no3)n2)c1,,-10.70804,-12.701,kcal/mol
MCULE-5817407072,Cc1nn2c(NCCc3cnccn3)cc(-c3ccccc3)nc2c1C,,-10.88396,-13.956,kcal/mol
MCULE-8291173910,COc1ccc(-c2cnnc(NCc3cnn(-c4cccc(F)c4)c3)n2)cc1,,-10.74757,-19.088,kcal/mol
MCULE-3537584672,Fc1ccc(Cc2noc(-c3ccc(-c4cn[n-]c4)nc3)n2)cc1,,-10.68488,-12.301,kcal/mol
MCULE-6103121466,CCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(C(C)=O)cc3)n2n1,,-11.00752,-13.424,kcal/mol
MCULE-3779680297,CCN(CC)c1ccc2nnc(CCC(=O)Nc3ccc(C)c(F)c3)n2n1,,-10.76669,-14.787,kcal/mol
MCULE-5938777517,O=C(CCc1nnc2ccc(N3CCOCC3)nn12)Nc1ccc(F)cc1F,,-10.81125,-13.335,kcal/mol
MCULE-8832214815,O=C(CCc1nnc2ccc(N3CCOCC3)nn12)Nc1cc(F)ccc1F,,-10.80253,-11.916,kcal/mol
MCULE-7792475477,CC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn23)cc1,,-11.45523,-15.847,kcal/mol
MCULE-5259283253,O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1cc(F)ccc1F,,-10.92663,-14.733,kcal/mol
MCULE-2409623168,O=C(CCc1nnc2ccc(N3CCCC3)nn12)Nc1ccc(F)c(F)c1,,-10.65758,-16.497,kcal/mol
MCULE-5467175322,CCc1ccc(NC(=O)CCc2nnc3ccc(N4CCCC4)nn23)cc1,,-11.22306,-14.886,kcal/mol
MCULE-8972833240,CC(=O)c1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1,,-11.55545,-16.299,kcal/mol
MCULE-4169861633,CCc1ccc(NC(=O)CCc2nnc3ccc(N4CCCCC4)nn23)cc1,,-11.18719,-17.583,kcal/mol
MCULE-7219433444,O=C([O-])c1cccc(CC2CCN(C(=O)c3cccc4nccnc34)CC2)c1,,-10.5705,-11.905,kcal/mol
MCULE-1030995749,Cc1cc(CNC(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)no1,,-11.06091,-11.213,kcal/mol
MCULE-5185042109,Cn1ncc2c(NCCc3ccccc3F)nc(-c3ccncc3)nc21,,-10.34923,-10.303,kcal/mol
MCULE-3881521927,OC[C@@H]1CCCN1c1ccc(-c2nc(CCCc3ccccc3)no2)cn1,,-10.1981,-12.626,kcal/mol
MCULE-8309245509,O=C(NCCc1cccnc1)c1coc(COc2cccc3cccnc23)n1,,-10.59707,-11.467,kcal/mol
MCULE-4508959464,Cc1noc(C)c1CCC(=O)N1CCN(c2ncnc3ccccc23)CC1,,-10.45181,-17.063,kcal/mol
MCULE-7340179699,Cc1cccc(CN2CCN(Cc3ccnc4ccccc34)CC2=O)c1,,-10.59939,-14.002,kcal/mol
MCULE-7498970088,CN1CCC(Cc2noc(-c3cn(CCCc4ccccc4)nn3)n2)CC1,,-10.28741,-17.423,kcal/mol
MCULE-5198318526,COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c([O-])c1,,-10.32696,-14.913,kcal/mol
MCULE-7512301590,Cc1ccn(CCC(=O)NCc2cccnc2Oc2ccc(F)c(F)c2)n1,,-10.20085,-13.524,kcal/mol
MCULE-5246013757,COc1ccc(-c2n[n-]cc2CN(C)Cc2nc(-c3ccncc3)no2)c(F)c1,,-10.57198,-18.761,kcal/mol
MCULE-1172279465,Cc1nc(CNC(=O)c2ccc3c(c2)CN(CCc2ccncc2)C3=O)no1,,-10.44463,-14.508,kcal/mol
MCULE-6278381177,COc1cccc(-c2ocnc2C(=O)Nc2ccc3c(c2)OCCO3)c1,,-10.68855,-9.884,kcal/mol
MCULE-2000787328,Cn1cc(-c2ccc(-c3nc(CCc4ccccc4)no3)cn2)cn1,,-10.86094,-13.384,kcal/mol
MCULE-1542571977,COCCc1noc(-c2cn(Cc3cccc4ccccc34)nn2)n1,,-10.62987,-14.173,kcal/mol
MCULE-6890606844,Cc1cc(CNc2nc(CCc3ccccc3)nc3c2cnn3C)no1,,-10.83544,-11.537,kcal/mol
MCULE-9131581583,Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCCN3CCCC3)c2c1,,-10.46048,-17.889,kcal/mol
MCULE-8763054491,Cc1cnc(NCCc2nccc(-c3ccccc3)n2)nc1-c1cnn(C)c1,,-10.40325,-14.334,kcal/mol
MCULE-3559444473,Cc1cnn(CC2CCN(C(=O)c3cccc(CCC(C)(C)O)c3)CC2)c1,,-10.4067,-17.005,kcal/mol
MCULE-1852060323,Cc1ccc(-c2cc(C(=O)NCCN3CCOC3=O)c3ccccc3n2)cc1,,-10.55465,-13.059,kcal/mol
MCULE-1270529562,CN(Cc1cccc2ncccc12)C(=O)CCc1nc2ccccc2nc1[O-],,-10.46409,-13.901,kcal/mol
MCULE-9052092365,Cc1cc(CNc2nc(CCc3ccccc3)nc3c2cnn3C)on1,,-10.79059,-10.713,kcal/mol
MCULE-8870499729,CN(Cc1cc[n-]n1)C(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1,,-10.76383,-15.069,kcal/mol
MCULE-6523706372,Cc1cc(NCCc2nc(C)c3c(n2)CCC3)n2nc(C)cc2n1,,-10.61345,-13.293,kcal/mol
MCULE-2576064229,Cc1cc(NCCc2nc(C)c3c(n2)CCCC3)n2nc(C)cc2n1,,-10.76208,-13.563,kcal/mol
MCULE-8510504222,Cn1ncc2c(NCCc3cccc(F)c3)nc(-c3ccncc3)nc21,,-10.59847,-10.844,kcal/mol
MCULE-1683430088,CN(Cc1cccc2ncccc12)C(=O)c1ccc(-n2cnnn2)cc1[O-],,-11.13082,-14.207,kcal/mol
MCULE-9939931994,CN(Cc1cccc2ncccc12)C(=O)c1cc(S([NH-])(=O)=O)ccc1F,,-10.55141,-10.465,kcal/mol
MCULE-4003715985,c1ccc(CCc2noc(-c3ccc(-c4cn[n-]c4)nc3)n2)cc1,,-11.04655,-11.965,kcal/mol
MCULE-6659593336,c1ccc(CCc2nc(Cc3cccnc3)n(-c3ccccn3)n2)cc1,,-10.57235,-14.714,kcal/mol
MCULE-6346777367,Cc1cc(C)n2nc(CC(=O)NCc3cc(-c4ccccc4F)no3)nc2n1,,-10.65053,-14.37,kcal/mol
MCULE-1043753148,CC(C)c1nc(COc2cccc(-n3cnnn3)c2)n(-c2ccccn2)n1,,-10.7565,-12.357,kcal/mol
MCULE-2664296084,Cc1c(C(=O)NCc2cccnc2Oc2ccccc2F)cnc2ccnn12,,-11.24096,-9.551,kcal/mol
MCULE-1767223116,NC(=O)COc1cccc(CN(Cc2ccncc2)Cc2ccc(F)cc2)c1,,-10.41568,-18.528,kcal/mol
MCULE-4827867550,COCc1c(-c2nc(CCc3ccccc3)n[n-]2)noc1C,,-10.25338,-13.739,kcal/mol
MCULE-4783922676,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnnn1-c1ccccc1,,-10.75898,-14.679,kcal/mol
MCULE-1367304423,CC1(C)Cc2cccc(OCC(=O)NCc3nnnn3-c3ccccc3)c2O1,,-10.3282,-13.519,kcal/mol
MCULE-8025916077,CC1(C)Cc2cccc(OCC(=O)NCc3nnnn3-c3ccc(F)cc3)c2O1,,-10.34323,-11.774,kcal/mol
MCULE-8182300984,Cc1ccc(Oc2ncccc2CNC(=O)c2ccc3cccnc3n2)cn1,,-10.55447,-7.823,kcal/mol
MCULE-2344022306,CCCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1,,-10.63234,-16.176,kcal/mol
MCULE-5805156301,Cc1ccc(NC(=O)C(C)C)cc1OCc1cc(=O)n2ccccc2n1,,-10.69531,-14.059,kcal/mol
MCULE-3967979710,Cc1ccc(NC(=O)C(C)C)cc1OCc1cc(=O)n2cccc(C)c2n1,,-10.30141,-11.076,kcal/mol
MCULE-4588003897,CCC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1,,-11.00665,-18.536,kcal/mol
MCULE-8734373471,Cc1noc(C)c1CC(=O)NCc1cccnc1N(C)CCc1ccccn1,,-10.28109,-13.248,kcal/mol
MCULE-1377408049,COc1ncc(-c2nccn2CCc2c[nH]c3ccccc23)cn1,,-10.51242,-7.443,kcal/mol
MCULE-6644974768,c1ccc(COCc2c(-c3ccccc3)ncn2CCc2nnn[n-]2)cc1,,-10.81909,-16.102,kcal/mol
MCULE-3660850474,Cc1onc(-c2ccccc2F)c1C(=O)NCc1ccc2c(c1)OCO2,,-10.66674,-14.828,kcal/mol
MCULE-8427446412,O=C(NCc1cccnc1-n1ccnc1)c1cc(-n2cccn2)ccc1Cl,,-10.67921,-13.619,kcal/mol
MCULE-5732166142,COc1ccc(F)c(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c1,,-10.23267,-13.339,kcal/mol
MCULE-7857527653,Cc1nn(-c2ccc3nncn3n2)c(C)c1CCC(=O)Nc1ccc(F)cc1F,,-10.8037,-11.827,kcal/mol
MCULE-1598532876,CCc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)cc1,,-10.68017,-15.118,kcal/mol
MCULE-9939074124,CCc1cccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)c1,,-11.35272,-14.732,kcal/mol
MCULE-1700376704,Cc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)cc1F,,-10.69483,-13.6,kcal/mol
MCULE-8432886893,Cc1cc(F)ccc1NC(=O)CCc1c(C)nn(-c2ccc3nncn3n2)c1C,,-10.75705,-13.554,kcal/mol
MCULE-9401207946,Cc1ccc(NC(=O)CCc2c(C)nn(-c3ccc4nncn4n3)c2C)cc1,,-10.65026,-14.86,kcal/mol
MCULE-4771423613,Cc1nn(-c2ccc3nnc(C)n3n2)c(C)c1CCC(=O)Nc1ccc(F)cc1,,-10.63873,-11.907,kcal/mol
MCULE-4258417756,Cc1cnc(CNc2ccc(-c3nc(COc4ccccc4)no3)cn2)cn1,,-10.64573,-14.976,kcal/mol
MCULE-8928779550,Cc1nc(CCNC(=O)c2ccc(F)cc2)n(-c2cccc3cccnc23)n1,,-10.68765,-7.712,kcal/mol
MCULE-8028142729,Fc1ccc(Cc2noc(-c3ccc(NCc4ccon4)nc3)n2)cc1,,-10.8625,-14.985,kcal/mol
MCULE-7057212011,CN(Cc1cccnc1)C(=O)c1cc(-c2cnn(C)c2)nc2ccc(F)cc12,,-10.59425,-12.053,kcal/mol
MCULE-9190249672,c1ccc(CCc2noc(-c3ccc(NCCN4CCCC4)nc3)n2)cc1,,-10.45078,-15.511,kcal/mol
MCULE-5001440366,CC(C)(Cc1ccc(F)cc1)NC(=O)c1cccc(-n2cnnc2)c1,,-10.34885,-14.137,kcal/mol
MCULE-3218859575,Cc1nc(-c2ccc(C(=O)NCCC(=O)N3CCc4ccccc43)cc2)no1,,-11.07086,-13.745,kcal/mol
MCULE-2491503985,COc1cccc(-c2cnnc(NCc3cnn(-c4cccc(OC)c4)c3)n2)c1,,-10.90021,-20.901,kcal/mol
MCULE-9078895120,CC(C)Cc1nc(Cc2nc(-c3ccncc3)n[n-]2)n(-c2ccccc2F)n1,,-10.83033,-9.263,kcal/mol
MCULE-8515406497,COc1ccc(-c2nc(COc3ccccc3C(N)=O)c(C)o2)c(F)c1,,-10.66309,-11.74,kcal/mol
MCULE-3409689641,O=C(CCc1ccc2c(c1)OCO2)NCc1cccnc1-n1ccnc1,,-10.21412,-12.787,kcal/mol
MCULE-3289445077,COc1ccc(-c2nc(Cn3cc(CCO)cn3)c(C)o2)c(F)c1,,-10.44002,-12.747,kcal/mol
MCULE-5064280076,CN(Cc1cccc2cnccc12)C(=O)CCc1n[n-]c2c1CCCC2,,-10.84526,-15.425,kcal/mol
MCULE-3406602681,CN(CCc1ccccc1)C1(C(=O)N2CC[C@H](O)C2)Cc2ccccc2C1,,-10.57462,-16.867,kcal/mol
MCULE-8864395868,Cc1ccc(Oc2ncccc2CNC(=O)c2cnc3ccnn3c2C)cn1,,-10.77607,-8.005,kcal/mol
MCULE-1059916507,CN(CCc1ccccn1)c1ncccc1CNC(=O)Cc1ccccc1,,-10.66744,-15.153,kcal/mol
MCULE-2426776679,Cc1noc(C)c1CC(=O)NCc1cccnc1-n1cnc2ccccc21,,-11.44794,-11.537,kcal/mol
MCULE-5979767015,Cc1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(C)c1,,-10.86773,-16.297,kcal/mol
MCULE-9549077699,COc1ccc(CNC(=O)COc2ncnc3onc(-c4ccccc4)c23)cc1,,-10.89088,-17.078,kcal/mol
MCULE-6772074677,O=C(COc1ncnc2onc(-c3ccccc3)c12)NCc1ccccc1F,,-11.08689,-13.759,kcal/mol
MCULE-9947692996,CCCCN(C)c1ccc2nnc(CCc3nc(-c4ccccc4)no3)n2n1,,-10.93785,-17.522,kcal/mol
MCULE-1888395277,CCCCN(C)c1ccc2nnc(CCc3nc(-c4cccc(F)c4)no3)n2n1,,-11.12634,-16.005,kcal/mol
MCULE-2398494649,Cc1nc(OCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1,,-10.58292,-10.677,kcal/mol
MCULE-2261885102,CCc1nc(OCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1,,-11.12829,-11.933,kcal/mol
MCULE-6757433334,O=C(Nc1cccc(OCc2nnc(-c3ccccc3)o2)c1)c1cnccn1,,-11.10479,-13.367,kcal/mol
MCULE-5689329597,O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1cnccn1,,-10.81938,-12.43,kcal/mol
MCULE-6369154285,Cn1nccc1C(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1,,-10.73501,-14.85,kcal/mol
MCULE-1475757554,Nc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)n1,,-10.62132,-9.408,kcal/mol
MCULE-7503391247,CC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C,,-10.13228,-12.672,kcal/mol
MCULE-2400445549,COc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c[nH]c2c1,,-10.39092,-18.141,kcal/mol
MCULE-1019017038,COc1cccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)CC2)c1,,-10.31906,-18.558,kcal/mol
MCULE-7806252553,O=C(CCc1nc(-c2ccncc2)no1)Nc1cccc2ncccc12,,-10.77958,-8.252,kcal/mol
MCULE-6015523102,O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCc1cccnc1,,-10.8122,-10.242,kcal/mol
MCULE-2797878815,CCCCc1ccc(NC(=O)CCc2nnc3ccc(OC)nn23)cc1,,-10.59382,-13.948,kcal/mol
MCULE-1190238021,COc1ccc2nnc(CCC(=O)Nc3ccc(C(C)=O)cc3)n2n1,,-10.68693,-10.0,kcal/mol
MCULE-5287230567,Cc1nnnn1-c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1,,-10.6709,-16.086,kcal/mol
MCULE-9174692860,O=C(NCCn1ccc2ccccc21)c1ccc(-n2cnnn2)cc1,,-10.72041,-15.098,kcal/mol
MCULE-1600287413,COc1ccc2nnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2n1,,-10.86584,-10.259,kcal/mol
MCULE-4697487347,O=C(NCCn1ccc2ccccc21)c1cccc(-n2cnnn2)c1,,-10.93845,-15.645,kcal/mol
MCULE-6675049785,COc1ccc2nnc(CCCC(=O)Nc3ccc(C(C)=O)cc3)n2n1,,-10.63159,-13.542,kcal/mol
MCULE-6322845806,COc1ccc2c(ccn2CCNC(=O)c2cccc(-n3nnnc3C)c2)c1,,-10.63212,-16.308,kcal/mol
MCULE-7297052641,O=C(NCCn1ccc2ccc(Cl)cc21)c1cc(F)ccc1-n1cnnn1,,-10.81986,-15.349,kcal/mol
MCULE-9240656545,Cc1nnnn1-c1cccc(C(=O)NCCn2ccc3ccccc32)c1,,-10.57031,-12.167,kcal/mol
MCULE-2781884353,O=C(CCn1ccc2ccccc21)Nc1ccc(Cn2cncn2)cc1,,-10.57142,-9.605,kcal/mol
MCULE-2326488616,Cc1nnnn1-c1ccc(C(=O)NCCn2ccc3ccc(F)cc32)cc1,,-10.72146,-16.641,kcal/mol
MCULE-3482424496,Cc1nnnn1-c1cccc(C(=O)NCCn2ccc3ccc(F)cc32)c1,,-10.49305,-14.539,kcal/mol
MCULE-8571042528,O=C(NCCn1ccc2ccc(F)cc21)c1ccc(-n2cnnn2)cc1,,-11.05381,-13.831,kcal/mol
MCULE-1142861292,Cc1cc(C(=O)NCCn2ccc3ccc(F)cc32)c2c(C)noc2n1,,-11.27604,-12.646,kcal/mol
MCULE-7499826545,Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)Nc4ccncc4)n3n2)n1,,-10.64403,-12.419,kcal/mol
MCULE-1513291719,O=C(CCCc1nnc2ccccn12)Nc1ccc2c(c1)OCCO2,,-10.57222,-9.483,kcal/mol
MCULE-5740197759,CC(=O)c1ccc(NC(=O)CCCc2nnc3ccccn23)cc1,,-10.67975,-12.965,kcal/mol
MCULE-8018658173,Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)Nc4ccccn4)n3n2)n1,,-10.94728,-12.472,kcal/mol
MCULE-4883692063,COc1ccc2c(ccn2CCNC(=O)c2cc(-n3cnnn3)ccc2Cl)c1,,-10.69726,-13.868,kcal/mol
MCULE-6680811247,O=C(NCCn1ccc2ccccc21)c1cc(-n2cnnn2)ccc1Cl,,-11.25115,-15.033,kcal/mol
MCULE-9248809616,O=C(NCCc1nnc2ccc(N3CCCCCC3)nn12)c1ccccc1,,-10.62884,-19.189,kcal/mol
MCULE-5126336109,Cc1ccc(C(=O)NCCc2nnc3ccc(N4CCCCCC4)nn23)cc1,,-11.23779,-20.649,kcal/mol
MCULE-2805247297,Cc1ccc(-n2nnnc2CNC(=O)c2cccc3ccccc23)cc1C,,-10.68878,-14.565,kcal/mol
MCULE-6456909479,Cc1ccc(-n2nnnc2CNC(=O)Cc2cccc3ccccc23)cc1C,,-10.91971,-12.188,kcal/mol
MCULE-3947237437,CCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccc(C)cc1,,-10.67946,-15.835,kcal/mol
MCULE-3311266186,Cc1ccc(-n2nnnc2CNC(=O)COc2cccc3c2OC(C)(C)C3)cc1,,-10.41988,-10.618,kcal/mol
MCULE-7733241561,CCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1ccccc1,,-10.73416,-15.03,kcal/mol
MCULE-5817782470,O=C(NCc1nnnn1-c1cccc(F)c1)c1cccc2ccccc12,,-10.60967,-14.966,kcal/mol
MCULE-8764216689,CCOc1ccc2ccccc2c1C(=O)NCc1nnnn1-c1cccc(F)c1,,-10.75983,-15.583,kcal/mol
MCULE-5051545955,O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1cccc(F)c1,,-10.92208,-12.57,kcal/mol
MCULE-2497521519,O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(Cl)cc1,,-10.73382,-13.059,kcal/mol
MCULE-8074187760,O=C(NCc1nnnn1-c1ccc(F)c(F)c1)c1cccc2ccccc12,,-10.71009,-12.483,kcal/mol
MCULE-9335710485,O=C(COc1ccc2ccccc2c1)NCc1nnnn1-c1ccc(F)c(F)c1,,-10.79808,-10.996,kcal/mol
MCULE-3623884411,O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)c(F)c1,,-10.87499,-10.092,kcal/mol
MCULE-4257238381,O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)cc1,,-10.76962,-11.561,kcal/mol
MCULE-2733472983,O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nnnn1-c1ccc(F)cc1,,-10.71497,-13.091,kcal/mol
MCULE-3574738669,Cc1cccc(CC(=O)Nc2cccc(-c3ccc4nncn4n3)c2)c1,,-10.38974,-13.309,kcal/mol
MCULE-9311097509,CC(C)(C)n1ncc2c(=O)n(NC(=O)COc3ccc4ccccc4c3)cnc21,,-10.57178,-13.83,kcal/mol
MCULE-5451159700,Cc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)cc1,,-10.38894,-15.101,kcal/mol
MCULE-6727611501,COc1ccc(NC(=O)COc2cccc3ccc(N4CCOCC4)nc23)cc1,,-10.58638,-12.021,kcal/mol
MCULE-1689453882,Cn1cc(CC(=O)NCc2nc(-c3ccccc3)no2)c2ccccc21,,-10.85871,-12.121,kcal/mol
MCULE-5871661512,Cc1ccc(C)c(CC(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)c1,,-10.70185,-11.244,kcal/mol
MCULE-2131928314,O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccno2)o1,,-10.91373,-10.162,kcal/mol
MCULE-6771803668,O=C(Cc1ccc2ccccc2c1)Nc1nnc(-c2ccno2)o1,,-10.7743,-12.099,kcal/mol
MCULE-7790988050,CC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccc(Cl)cc32)cc1,,-10.67522,-15.087,kcal/mol
MCULE-3286220553,Cc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c1C,,-10.8161,-15.149,kcal/mol
MCULE-9451825864,COc1cccc(NC(=O)Cn2nc3c(Oc4ccccc4)nccn3c2=O)c1,,-10.71062,-13.433,kcal/mol
MCULE-8669771297,O=C(Cn1nc2c(Oc3ccccc3)nccn2c1=O)Nc1cc(F)ccc1F,,-11.08755,-12.087,kcal/mol
MCULE-5809987742,Cc1ccc(NC(=O)Cn2nc3c(Oc4ccccc4C)nccn3c2=O)cc1,,-10.58998,-8.878,kcal/mol
MCULE-1649505822,Cc1ccccc1Oc1nccn2c(=O)n(CC(=O)Nc3ccc(F)cc3)nc12,,-10.7247,-12.053,kcal/mol
MCULE-8299962870,Cc1cccc(NC(=O)Cn2nc3c(Sc4ccccc4)nccn3c2=O)c1,,-10.60116,-17.356,kcal/mol
MCULE-6640856749,Cc1cccc(CNC(=O)Cn2cnc(-c3noc(-c4cccc(F)c4)n3)c2)c1,,-10.58763,-10.572,kcal/mol
MCULE-2193106705,COc1cccc(-c2cc(CC(=O)N3CCc4ccccc43)no2)c1,,-10.15848,-14.001,kcal/mol
MCULE-7894726652,O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)NCc1c(F)cccc1F,,-10.62556,-15.707,kcal/mol
MCULE-4440042356,O=C(Cn1cnc2ccccc21)NCc1nc(-c2ccccc2)no1,,-10.57037,-15.116,kcal/mol
MCULE-2650288866,Cc1noc(-c2ccc(NC(=O)Cc3noc4ccccc34)cc2)n1,,-10.71498,-13.323,kcal/mol
MCULE-1722529624,CCOc1ccc(CC(=O)N2CC(c3nc4ccccc4[n-]3)C2)cc1,,-10.79546,-10.27,kcal/mol
MCULE-2423708696,COc1ccc(C2(CNC(=O)CCc3c(C)noc3C)CCOCC2)cc1,,-10.5114,-20.797,kcal/mol
MCULE-2200426770,Cn1nnn(-c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)c1=O,,-10.67579,-18.302,kcal/mol
MCULE-3412968263,O=C(Cc1cccs1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2,,-10.1319,-11.595,kcal/mol
MCULE-9340754944,COc1ccc(CCNC(=O)c2c(C)noc2-c2ccc3c(c2)OCO3)cc1,,-10.58122,-14.306,kcal/mol
MCULE-5295671244,COc1cccc(CCNC(=O)c2c(C)noc2-c2ccc3c(c2)OCO3)c1,,-10.64203,-14.488,kcal/mol
MCULE-5888080121,Cc1ccc(-n2cc(C(=O)c3ccccc3[O-])cn2)cc1,,-10.31677,-11.724,kcal/mol
MCULE-4664212883,CN(CCOc1ccc(-c2ccn(-c3ncccn3)n2)cc1)c1ccccn1,,-10.26076,-15.35,kcal/mol
MCULE-4132315964,NC(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21,,-10.83239,-8.252,kcal/mol
MCULE-2357602803,Cc1cc(C(=O)NCCn2ccc3cc(F)ccc32)c2c(C)noc2n1,,-11.04739,-13.738,kcal/mol
MCULE-5639081193,Cc1nc2ccc(C(=O)NCc3nc(Cc4ccccc4)no3)cc2nc1C,,-10.45587,-14.167,kcal/mol
MCULE-5197430175,COc1ccc(CC(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1,,-10.75241,-15.367,kcal/mol
MCULE-1673392575,O=C(COc1ccc(F)cc1)NCCn1c(-c2ccccc2)nc2cccnc21,,-10.69482,-12.292,kcal/mol
MCULE-3557246253,Cc1nnc(-c2cn(CC(=O)NCc3ccccc3F)c3ccccc23)o1,,-10.64564,-12.948,kcal/mol
MCULE-2257896386,O=C(NCCN1CCOCC1)c1ccc2nc(CCc3ccccc3)oc2c1,,-10.18098,-17.375,kcal/mol
MCULE-5482084861,Cc1nc(-c2cccc(NC(=O)Cc3ccc(F)cc3)c2)no1,,-10.20595,-14.032,kcal/mol
MCULE-1166639900,CC(=O)c1ccc(NC(=O)COc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1,,-10.75368,-14.683,kcal/mol
MCULE-4991587224,O=C(COc1ncnc2onc(-c3ccccc3)c12)NCc1ccccc1,,-10.84684,-15.743,kcal/mol
MCULE-3848984662,Cc1cccc(CNC(=O)COc2ncnc3onc(-c4ccccc4)c23)c1,,-11.34532,-15.219,kcal/mol
MCULE-3644206023,Cc1ccccc1CNC(=O)COc1ncnc2onc(-c3ccccc3)c12,,-10.63699,-14.513,kcal/mol
MCULE-7033815753,Cc1nc(OCC(=O)NCc2ccccn2)c2c(-c3ccccc3)noc2n1,,-10.68996,-15.073,kcal/mol
MCULE-4343606102,Cc1nc(OCC(=O)NCc2ccc(F)cc2)c2c(-c3ccccc3)noc2n1,,-11.38274,-16.844,kcal/mol
MCULE-7300719760,Cc1ccc(CNC(=O)COc2ncnc3onc(-c4ccc(F)cc4)c23)cc1,,-11.23749,-12.89,kcal/mol
MCULE-7417811541,Cc1cccc(CNC(=O)COc2ncnc3onc(-c4ccc(F)cc4)c23)c1,,-10.91063,-15.658,kcal/mol
MCULE-9081829666,O=C(COc1ncnc2onc(-c3ccc(F)cc3)c12)NCc1ccc(F)cc1,,-11.307,-14.806,kcal/mol
MCULE-3894254685,Cc1ccccc1CNC(=O)COc1ncnc2onc(-c3ccc(F)cc3)c12,,-10.81521,-13.821,kcal/mol
MCULE-6526316995,Cc1nc(OCC(=O)NCc2ccccn2)c2c(-c3ccc(F)cc3)noc2n1,,-11.13789,-18.166,kcal/mol
MCULE-2635792381,Cc1nc(OCC(=O)NCc2cccnc2)c2c(-c3ccc(F)cc3)noc2n1,,-11.39472,-14.922,kcal/mol
MCULE-4049602810,Cc1nc(OCC(=O)NCc2ccccc2)c2c(-c3ccc(F)cc3)noc2n1,,-11.57178,-14.088,kcal/mol
MCULE-7275939223,Cc1ccc(CNC(=O)COc2ncnc3onc(-c4cccc(F)c4)c23)cc1,,-11.28181,-15.036,kcal/mol
MCULE-4131983990,O=C(COc1ncnc2onc(-c3cccc(F)c3)c12)NCc1ccc(F)cc1,,-11.50078,-21.044,kcal/mol
MCULE-8522965207,Cc1cccc(CNC(=O)Cn2cccc2-c2nnc(C3CCC3)o2)c1,,-10.76548,-13.93,kcal/mol
MCULE-5581852026,Cc1ccccc1Cc1nc(-c2ccnc(N3CCOCC3)c2)no1,,-10.22155,-14.284,kcal/mol
MCULE-4755595170,Cc1ccc(-c2nc(C)cc(OCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1,,-10.66296,-13.41,kcal/mol
MCULE-6896431252,Cc1ccc(NC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)nc1,,-11.15298,-11.476,kcal/mol
MCULE-8630994737,Cc1cccc(NC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)n1,,-10.91096,-13.601,kcal/mol
MCULE-1350605283,COc1ccc(CNC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)cc1,,-10.91865,-11.127,kcal/mol
MCULE-7817873726,Cc1ccnc(NC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)c1,,-10.97244,-9.044,kcal/mol
MCULE-9042497656,Cc1nnc(-c2ccc3ccn(CC(=O)NCCc4ccccc4)c3c2)o1,,-10.86324,-15.979,kcal/mol
MCULE-7015093671,COc1ccccc1CNC(=O)Cn1ccc2ccc(-c3nnc(C)o3)cc21,,-10.77664,-15.48,kcal/mol
MCULE-8168558097,COc1cccc(CNC(=O)Cn2ccc3ccc(-c4nnc(C)o4)cc32)c1,,-10.7145,-10.355,kcal/mol
MCULE-9503479218,Cc1nnc(-c2ccc3ccn(CC(=O)NCc4ccc(F)cc4)c3c2)o1,,-11.05986,-12.975,kcal/mol
MCULE-6253607614,Cc1nnc(-c2ccc3ccn(CC(=O)NCc4ccccc4)c3c2)o1,,-10.80598,-12.873,kcal/mol
MCULE-9333249828,Cc1cccc(NC(=O)Cn2nc3c(Oc4cccc(F)c4)nccn3c2=O)c1,,-10.87617,-15.317,kcal/mol
MCULE-1062186184,O=C(Cn1nc2c(Oc3cccc(F)c3)nccn2c1=O)Nc1ccc(F)cc1,,-10.68076,-12.36,kcal/mol
MCULE-5438406003,O=C(Cn1nc2c(Oc3ccc(F)cc3)nccn2c1=O)NCc1ccccc1,,-10.63315,-11.692,kcal/mol
MCULE-1533725890,Cc1ccc(NC(=O)Cn2nc3c(N4CCCCCC4)nccn3c2=O)c(C)c1,,-10.73025,-13.332,kcal/mol
MCULE-9793864229,O=C(Cn1nc2c(N3CCCCCC3)nccn2c1=O)Nc1ccc(F)cc1,,-10.58992,-10.6,kcal/mol
MCULE-7297614445,O=C(NCCN1CCc2ccccc2C1)c1ccc(-c2cccnc2)nc1,,-10.23554,-23.345,kcal/mol
MCULE-3720277329,Cc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)cc1C,,-10.21552,-12.067,kcal/mol
MCULE-8613404385,CN(CCc1noc(-c2cc3ccccc3[nH]2)n1)C(=O)COc1ccc(F)cc1,,-10.63472,-13.588,kcal/mol
MCULE-2542199071,Cc1nc(-c2ccncc2)cc2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)n12,,-10.6668,-11.529,kcal/mol
MCULE-2787873030,Cc1ccc(NC(=O)Cn2nc3cc(-c4ccncc4)nc(C)n3c2=O)cc1F,,-10.66921,-9.968,kcal/mol
MCULE-3553931833,Cc1nc(-c2ccncc2)cc2nn(CC(=O)NCc3ccc(F)cc3)c(=O)n12,,-10.58409,-10.561,kcal/mol
MCULE-4778323524,COc1ccc(NC(=O)Cn2nc3cc(-c4ccccn4)nc(C)n3c2=O)cc1,,-10.76856,-8.645,kcal/mol
MCULE-5851824448,Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(F)cc3F)c(=O)n12,,-10.73437,-9.687,kcal/mol
MCULE-8473351740,Cc1nc(-c2ccccn2)cc2nn(CC(=O)Nc3ccc(F)c(F)c3)c(=O)n12,,-10.99623,-7.881,kcal/mol
MCULE-4932273481,Cc1ccc(NC(=O)Cn2nc3cc(-c4ccccn4)nc(C)n3c2=O)c(F)c1,,-10.62293,-7.658,kcal/mol
MCULE-9352678808,Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)c1,,-10.66567,-9.54,kcal/mol
MCULE-2649317829,COc1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)c1,,-10.6019,-10.515,kcal/mol
MCULE-3994570218,COc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)cc1,,-10.6819,-8.461,kcal/mol
MCULE-5384571847,CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)cc1,,-10.70096,-8.709,kcal/mol
MCULE-3706753844,CC(=O)c1cccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)c1,,-10.96252,-10.25,kcal/mol
MCULE-1684929914,COc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c3ncccc32)c1,,-10.74456,-11.241,kcal/mol
MCULE-1249803473,COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c3ncccc32)cc1,,-10.81012,-12.579,kcal/mol
MCULE-9960047174,Cc1ccc(-n2c(=O)n(CC(=O)Nc3ccccc3)c3cccnc32)cc1,,-10.59312,-10.817,kcal/mol
MCULE-5451200951,Cc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)c1,,-10.81142,-11.371,kcal/mol
MCULE-3783103548,COc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)c1,,-10.68144,-12.017,kcal/mol
MCULE-6203338592,COc1ccc(NC(=O)Cn2c(=O)n(-c3ccc(F)cc3)c3ncccc32)cc1,,-10.89938,-11.822,kcal/mol
MCULE-1377052954,Cc1ccc(Cn2c(=O)n(CCNC(=O)c3cccn3C)c3ncccc32)cc1,,-10.58547,-22.113,kcal/mol
MCULE-6865434401,O=C(CCc1conc1-c1ccccc1F)NCc1ccc2c(c1)OCO2,,-10.58044,-11.182,kcal/mol
MCULE-5816559361,O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1,,-10.71351,-10.091,kcal/mol
MCULE-4554403574,COc1cccc(Cc2nc(-c3cn(-c4ccccc4)nn3)no2)c1,,-10.34183,-13.558,kcal/mol
MCULE-4716534244,COc1ccc(CCc2nc(-c3cn(-c4ccccc4)nn3)no2)cc1,,-10.8904,-15.152,kcal/mol
MCULE-1675682873,COc1cccc(Cc2nc(-c3cn(-c4cccc(F)c4)nn3)no2)c1,,-10.65329,-13.948,kcal/mol
MCULE-8955552174,Fc1ccc(-c2nc(-c3cn(Cc4cccc(F)c4)nn3)no2)cc1,,-10.24157,-14.55,kcal/mol
MCULE-6103299550,Fc1cccc(Cn2cc(-c3noc(-c4cccc(F)c4)n3)nn2)c1,,-10.44845,-15.415,kcal/mol
MCULE-7641699454,COc1cc(OC)cc(-c2nc(-c3cn(Cc4cccc(F)c4)nn3)no2)c1,,-10.63891,-15.306,kcal/mol
MCULE-4880307117,Cc1c(-c2noc(-c3ccc[nH]3)n2)nnn1Cc1ccccc1,,-10.75684,-15.391,kcal/mol
MCULE-1494837871,Cc1c(-c2noc(-c3cccnc3)n2)nnn1Cc1ccc(F)cc1,,-10.59954,-15.237,kcal/mol
MCULE-2198087286,Cc1c(-c2noc(-c3ccc[nH]3)n2)nnn1Cc1ccc(F)cc1,,-10.97785,-13.77,kcal/mol
MCULE-2931151018,Cc1c(-c2noc(-c3ccccn3)n2)nnn1Cc1ccc(F)cc1,,-10.58646,-14.084,kcal/mol
MCULE-8605535801,Cc1c(-c2noc(-c3cccnc3)n2)nnn1Cc1cccc(F)c1,,-10.71576,-16.877,kcal/mol
MCULE-3277183981,Cc1c(-c2noc(-c3ccc[nH]3)n2)nnn1Cc1cccc(F)c1,,-11.07383,-13.837,kcal/mol
MCULE-8054942048,Cc1cccc(NC(=O)c2nc(-c3cn(Cc4ccc(F)cc4)nn3)no2)c1,,-10.23263,-14.917,kcal/mol
MCULE-5138492399,Cc1cc(NC(=O)c2nc(-c3cn(Cc4ccc(F)cc4)nn3)no2)ccc1F,,-10.22117,-14.394,kcal/mol
MCULE-3581478482,Cc1ccc(CNC(=O)c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1C,,-10.13956,-16.321,kcal/mol
MCULE-3838296097,Cc1ccccc1NC(=O)Cn1cnc(-c2noc(-c3ccncc3)n2)c1,,-10.45607,-12.169,kcal/mol
MCULE-6427391804,COc1ccc(NC(=O)Cn2cc(-c3noc(-c4cccnc4)n3)nc2C)cc1,,-10.57761,-10.582,kcal/mol
MCULE-3612934718,CCc1ccc(NC(=O)Cc2nnc3cc(-c4nc(C)no4)ccn23)cc1,,-10.63526,-11.132,kcal/mol
MCULE-8702157847,Cc1noc(-c2ccn3c(CC(=O)Nc4ccc(C)c(F)c4)nnc3c2)n1,,-10.78577,-11.194,kcal/mol
MCULE-4001747727,CCc1cccc(NC(=O)Cc2nnc3cc(-c4nc(CC)no4)ccn23)c1,,-10.71548,-14.999,kcal/mol
MCULE-5896656217,CCc1ccc(NC(=O)Cc2nnc3cc(-c4nc(CC)no4)ccn23)cc1,,-10.71717,-12.364,kcal/mol
MCULE-8123339138,CCc1noc(-c2ccn3c(CC(=O)Nc4ccc(F)cc4)nnc3c2)n1,,-10.57847,-11.628,kcal/mol
MCULE-9556855299,CCc1noc(-c2ccn3c(CC(=O)Nc4ccc(C)c(F)c4)nnc3c2)n1,,-10.78182,-14.22,kcal/mol
MCULE-3938229578,CCc1noc(-c2ccn3c(CC(=O)Nc4ccc(F)c(C)c4)nnc3c2)n1,,-10.83529,-11.936,kcal/mol
MCULE-4392710474,CC(C)(C)c1noc(-c2ccn3c(CC(=O)Nc4cccc(F)c4)nnc3c2)n1,,-10.60052,-11.513,kcal/mol
MCULE-2431882535,CC(C)c1noc(-c2ccn3c(CC(=O)NCc4ccccc4)nnc3c2)n1,,-10.90525,-12.906,kcal/mol
MCULE-2014873984,CC(C)c1noc(-c2ccn3c(CC(=O)NCc4ccccc4F)nnc3c2)n1,,-10.97729,-16.421,kcal/mol
MCULE-1897536831,Cc1ccccc1CNC(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn12,,-10.79114,-12.937,kcal/mol
MCULE-1617507871,Cc1cccc(CNC(=O)Cc2nnc3cc(-c4nc(C(C)C)no4)ccn23)c1,,-11.32535,-14.491,kcal/mol
MCULE-5002112200,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4)n3c2)n1,,-10.6509,-9.558,kcal/mol
MCULE-4427858312,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4C)n3c2)n1,,-10.58835,-11.139,kcal/mol
MCULE-8439430646,Cc1cccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)c1,,-10.67657,-10.572,kcal/mol
MCULE-1263557988,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(C)c(C)c4)n3c2)n1,,-10.77086,-9.105,kcal/mol
MCULE-2067051298,CCc1cccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)c1,,-11.04795,-12.3,kcal/mol
MCULE-5473168702,CCc1ccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)cc1,,-11.46933,-12.512,kcal/mol
MCULE-2162531479,Cc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(C)c4C)n3c2)n1,,-10.90711,-13.092,kcal/mol
MCULE-3975202402,Cc1ccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)c(C)c1,,-10.84958,-11.401,kcal/mol
MCULE-9932767903,COc1ccccc1NC(=O)Cc1nnc2ccc(-c3nc(C)no3)cn12,,-10.68901,-12.32,kcal/mol
MCULE-9957134748,COc1cccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)c1,,-10.67707,-10.023,kcal/mol
MCULE-2780477070,COc1ccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)cc1,,-11.11869,-10.117,kcal/mol
MCULE-3759780866,CCOc1ccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)cc1,,-11.27661,-11.852,kcal/mol
MCULE-6738078441,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(F)cc4)n3c2)n1,,-11.19186,-12.042,kcal/mol
MCULE-8101577076,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4Cl)n3c2)n1,,-10.62874,-12.72,kcal/mol
MCULE-4759973390,Cc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(Cl)c4)n3c2)n1,,-10.66883,-11.63,kcal/mol
MCULE-3834839823,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(Cl)cc4)n3c2)n1,,-11.20666,-11.428,kcal/mol
MCULE-7948672767,Cc1ccc(NC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)c(F)c1,,-11.45595,-8.937,kcal/mol
MCULE-7107324792,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(C)c(F)c4)n3c2)n1,,-11.64413,-12.814,kcal/mol
MCULE-8175296762,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(F)cc4C)n3c2)n1,,-11.20956,-9.826,kcal/mol
MCULE-7728334278,Cc1noc(-c2ccc3nnc(CC(=O)Nc4cc(F)ccc4C)n3c2)n1,,-11.18217,-10.707,kcal/mol
MCULE-5455481732,Cc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(F)c(C)c4)n3c2)n1,,-11.46191,-11.806,kcal/mol
MCULE-9122390635,CCc1ccc(CNC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)cc1,,-11.39773,-15.598,kcal/mol
MCULE-7934732946,COc1ccccc1CNC(=O)Cc1nnc2ccc(-c3nc(C)no3)cn12,,-10.76049,-10.808,kcal/mol
MCULE-6016090829,COc1ccc(CNC(=O)Cc2nnc3ccc(-c4nc(C)no4)cn23)cc1,,-10.87292,-11.66,kcal/mol
MCULE-8436445153,Cc1noc(-c2ccc3nnc(CC(=O)NCc4ccccc4F)n3c2)n1,,-10.90757,-13.964,kcal/mol
MCULE-5531630551,Cc1noc(-c2ccc3nnc(CC(=O)NCc4ccc(F)cc4)n3c2)n1,,-10.89295,-11.842,kcal/mol
MCULE-6381443804,Cc1noc(-c2ccc3nnc(CC(=O)NCc4ccccc4Cl)n3c2)n1,,-10.9069,-11.507,kcal/mol
MCULE-4595028440,Cc1noc(-c2ccc3nnc(CC(=O)NCc4ccc(Cl)cc4)n3c2)n1,,-11.03918,-13.91,kcal/mol
MCULE-6785175017,CCc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4)n3c2)n1,,-11.08769,-11.083,kcal/mol
MCULE-5630335388,CCc1noc(-c2ccc3nnc(CC(=O)NCc4ccc(Cl)cc4)n3c2)n1,,-11.56399,-14.063,kcal/mol
MCULE-4293878207,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4)n3c2)n1,,-11.34276,-11.54,kcal/mol
MCULE-5230144224,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4C)n3c2)n1,,-11.37718,-12.422,kcal/mol
MCULE-3509886979,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(C)c4)n3c2)n1,,-11.45229,-11.438,kcal/mol
MCULE-8942011400,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(C)cc4)n3c2)n1,,-11.91962,-12.65,kcal/mol
MCULE-3472042280,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccccc4F)n3c2)n1,,-11.64459,-11.936,kcal/mol
MCULE-8504402129,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(F)c4)n3c2)n1,,-11.68789,-11.432,kcal/mol
MCULE-2140960941,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(F)cc4)n3c2)n1,,-11.83736,-12.779,kcal/mol
MCULE-5466093481,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(C)cc4F)n3c2)n1,,-12.21262,-13.197,kcal/mol
MCULE-2210201854,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(C)c(F)c4)n3c2)n1,,-12.32349,-14.407,kcal/mol
MCULE-2419994636,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(F)cc4C)n3c2)n1,,-11.91321,-12.876,kcal/mol
MCULE-1526259920,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4cc(F)ccc4C)n3c2)n1,,-11.88175,-13.893,kcal/mol
MCULE-7075586244,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4ccc(F)c(C)c4)n3c2)n1,,-12.03772,-10.711,kcal/mol
MCULE-9032469339,CCCc1noc(-c2ccc3nnc(CC(=O)Nc4cc(C)ccc4F)n3c2)n1,,-11.12043,-10.486,kcal/mol
MCULE-3074381323,Cc1nc(-c2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)no1,,-10.48072,-11.226,kcal/mol
MCULE-9738289607,Cc1noc(-c2ccc3nnc(CC(=O)Nc4cccc(F)c4)n3c2)n1,,-10.98583,-11.091,kcal/mol
MCULE-1900891253,Cc1ccccc1CNC(=O)COc1ncnc2onc(-c3cccc(F)c3)c12,,-11.04928,-15.231,kcal/mol
MCULE-3002155916,Cc1cc(NC(=O)c2ccn(COc3ccc(Cl)c(C)c3)n2)no1,,-10.49527,-14.266,kcal/mol
MCULE-1869028248,COc1ccc(-c2cc(C(=O)NCCn3cc(C)cn3)c3c(C)noc3n2)cc1,,-10.89341,-15.72,kcal/mol
MCULE-5045330903,CC(=O)Nn1c(COc2cccc3ccccc23)nc2ccccc2c1=O,,-10.66378,-10.679,kcal/mol
MCULE-5181723756,O=C(Cc1ccccc1)Nn1c(COc2ccccc2)nc2ccccc2c1=O,,-10.6202,-9.789,kcal/mol
MCULE-4053032456,O=C(Nc1ccn(Cc2cccc(C(F)(F)F)c2)n1)c1nc2ncccn2n1,,-10.46451,-14.088,kcal/mol
MCULE-9329439956,O=C(CN(C(=O)c1csnn1)c1cccc2c1CCCC2)NC1CCCC1,,-10.77426,-12.757,kcal/mol
MCULE-7479504593,CCc1nc(NCCc2ccc(OC)cc2)c2nnn(Cc3ccccc3)c2n1,,-10.72596,-18.076,kcal/mol
MCULE-7295110471,COc1ccccc1Nc1nccc(-c2nnc3ncnn3c2C)n1,,-10.19384,-16.532,kcal/mol
MCULE-2309390290,COc1cccc2c1ccn2CCNC(=O)c1cc(C)nc2onc(C)c12,,-10.825,-10.905,kcal/mol
MCULE-1800092318,Cn1nnc(-c2cccc(NC(=O)Cc3cn(C)c4ccccc34)c2)n1,,-10.93373,-11.997,kcal/mol
MCULE-2798901468,CC(C)n1c(CNC(=O)c2cc(-n3cnnn3)ccc2F)nc2ccccc21,,-11.26993,-9.511,kcal/mol
MCULE-7240983247,COCCn1cc(CCC(=O)Nc2ccc(OC)nc2)c2ccccc21,,-10.58465,-11.389,kcal/mol
MCULE-3573444084,COCCn1cc(CC(=O)Nc2cccc(-c3nnn(C)n3)c2)c2ccccc21,,-11.42953,-14.212,kcal/mol
MCULE-2274141805,O=C(CCc1ncc(-c2ccccc2)o1)NCCc1nnc2ccccn12,,-11.02563,-13.99,kcal/mol
MCULE-2350798807,Cc1noc2nc(C(C)C)cc(C(=O)NCCc3nnc4ccccn34)c12,,-10.8237,-12.304,kcal/mol
MCULE-1989692895,Cn1cc(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)c2ccccc21,,-10.57199,-12.594,kcal/mol
MCULE-2210477483,O=C(NCCc1nc(-c2ccccc2)cs1)c1cc(-n2cnnn2)ccc1F,,-11.30626,-10.517,kcal/mol
MCULE-2116523423,Cn1nnc(-c2cccc(NC(=O)CCc3ccc4c(c3)CCO4)c2)n1,,-11.16977,-14.615,kcal/mol
MCULE-5154971067,O=C(NCCc1nnc2ccccn12)c1cc(-n2cnnn2)ccc1Cl,,-10.85119,-13.247,kcal/mol
MCULE-5956341306,CC(C)n1nnc(-c2ccc(C(=O)NCCc3nnc4ccccn34)cc2)n1,,-11.25138,-14.958,kcal/mol
MCULE-9343662058,O=C(CCc1ccc2c(c1)CCO2)NCCc1nnc2ccccn12,,-10.47446,-11.755,kcal/mol
MCULE-8608984094,O=C(NCCc1cccc(F)c1)c1cc(-n2cnnn2)ccc1Cl,,-10.74171,-13.906,kcal/mol
MCULE-7283111796,Cn1nnc(-c2cccc(NC(=O)CCCc3nnc4ccccn34)c2)n1,,-10.94264,-14.786,kcal/mol
MCULE-2673982109,O=C(CCCc1nnc2ccccn12)Nc1ccc(Cn2cncn2)cc1,,-10.76093,-14.783,kcal/mol
MCULE-4213281901,COc1ccc2cc(NC(=O)CCCc3nnc4ccccn34)cnc2c1,,-11.24941,-10.56,kcal/mol
MCULE-8078639975,O=C(CCc1nc(-c2cccc(F)c2)no1)NCc1ccc2c(c1)OCO2,,-10.17879,-12.925,kcal/mol
MCULE-2789123675,Cc1cccc(CNC(=O)CCc2nc(-c3cccc(F)c3)no2)c1,,-10.24053,-12.264,kcal/mol
MCULE-9556101619,COc1cccc(-c2noc(CNC(=O)Cc3cc(C)ccc3C)n2)c1,,-10.81215,-14.061,kcal/mol
MCULE-1285552827,Cc1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)no1,,-10.25796,-16.227,kcal/mol
MCULE-1915899350,Cn1cc(C(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)nn1,,-10.48189,-16.58,kcal/mol
MCULE-8276891855,O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-n2cncn2)nn1,,-10.38555,-15.402,kcal/mol
MCULE-6280239996,O=C(COc1cccc2ccccc12)Nc1cc(-n2cccn2)ncn1,,-10.64745,-10.007,kcal/mol
MCULE-1401987922,Cn1cc(CC(=O)Nc2cc(-n3cccn3)ncn2)c2ccccc21,,-10.53337,-9.287,kcal/mol
MCULE-4137509724,O=C(Cc1cccc2ccccc12)NCCn1ccc(C(F)(F)F)n1,,-10.65395,-10.424,kcal/mol
MCULE-8472743417,CC1(C)Cc2cccc(OCC(=O)NCCn3ccc(C(F)(F)F)n3)c2O1,,-10.29467,-8.283,kcal/mol
MCULE-9423910978,Cn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)c2c1CCCC2,,-10.21719,-10.585,kcal/mol
MCULE-9471657211,CC(C)c1cc(C(=O)NCCc2ccccn2)n(-c2ccccc2)n1,,-10.6768,-9.648,kcal/mol
MCULE-9542338573,c1ccc(-c2cc(CNc3nccc(-c4ccccn4)n3)on2)nc1,,-10.1747,-12.419,kcal/mol
MCULE-2926077352,COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2cncnc2C)cc1,,-10.13508,-15.741,kcal/mol
MCULE-9632649541,CCc1nc(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)no1,,-11.66018,-12.396,kcal/mol
MCULE-1204813456,CCc1ccc(-c2cn(Cc3c[n-]nc3-c3ccccc3)nn2)nc1,,-10.64187,-8.796,kcal/mol
MCULE-9804234982,O=C(NCc1ccccc1-n1cncn1)c1cccc(-n2cccn2)c1,,-10.1813,-12.42,kcal/mol
MCULE-7080780731,CN(Cc1cccc2cnccc12)C(=O)Cc1ccc(-n2cnnn2)cc1,,-10.86731,-12.068,kcal/mol
MCULE-5048231767,Cc1cn2cc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)ccc2n1,,-10.24461,-10.707,kcal/mol
MCULE-4673652740,Cc1cc(N)n(-c2ccc(-c3noc(CCc4c(C)nn(C)c4C)n3)cc2)n1,,-10.687,-12.014,kcal/mol
MCULE-4720932251,Cc1nnnn1Cc1ccc(C(=O)N(C)Cc2cccc3ncccc23)cc1,,-10.3485,-14.21,kcal/mol
MCULE-2469058991,Cc1nc(CCNc2nccc(-c3cccnc3)n2)nc2c1CCCC2,,-10.70332,-13.684,kcal/mol
MCULE-2813287869,O=C(NCCN1CCCc2ccccc21)c1cnc(-c2cccnc2)nc1,,-10.1467,-17.216,kcal/mol
MCULE-3523784479,Cc1nccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)n1,,-10.50191,-10.565,kcal/mol
MCULE-6387312942,CN(Cc1cccc2ncccc12)C(=O)c1ccc2nnnn2c1,,-10.30873,-13.316,kcal/mol
MCULE-6959920188,c1cncc(-c2ccnc(NCCc3nc(-c4cccnc4)no3)n2)c1,,-10.3475,-9.292,kcal/mol
MCULE-4902807019,O=C(NCCc1nc(Cc2ccccc2)no1)c1ccc2cccc(F)c2n1,,-10.73182,-13.249,kcal/mol
MCULE-2047321855,Cc1cn2cc(C(=O)NC3(c4cc(F)ccc4F)CC3)ccc2n1,,-10.17672,-11.859,kcal/mol
MCULE-8730621187,COc1ccc(Cc2nc(CCc3cnn(C)c3)n(-c3ccccn3)n2)cc1,,-10.75071,-11.134,kcal/mol
MCULE-9316865030,Cc1ccc2oc(=O)n(Cc3nc(-c4cccnn4)no3)c2c1,,-10.58707,-17.428,kcal/mol
MCULE-2801132135,O=C(Cc1cccnc1)N1CCC(c2[n-]ncc2Cc2ccccc2)CC1,,-10.88559,-13.548,kcal/mol
MCULE-5575604507,Cc1nc(CCNc2nccc(-c3cccnc3)n2)nc2c1CCC2,,-10.58354,-12.275,kcal/mol
MCULE-9429707544,CCc1nccn1CCNC(=O)c1c(C)c(C)nc2ccc(C)cc12,,-10.61112,-13.096,kcal/mol
MCULE-4626051735,CN(Cc1cccc2ncccc12)c1nccc(-c2cc(C(=O)[O-])ccn2)n1,,-10.44777,-12.433,kcal/mol
MCULE-2327870673,Cc1noc(C)c1CCc1nc(Cn2cncn2)nn1-c1ccc(F)cc1,,-10.619,-14.038,kcal/mol
MCULE-7255075316,CN(Cc1ccc2nonc2c1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1,,-10.13767,-16.658,kcal/mol
MCULE-8063670726,Cc1ccc(-n2nc(CC(N)=O)nc2-c2ccn3nnnc3c2)cc1C,,-10.19244,-13.385,kcal/mol
MCULE-5773373632,Cc1nc2ccccn2c1CC(=O)N(C)Cc1cccc2ncccc12,,-11.02585,-12.752,kcal/mol
MCULE-3152219161,C=Cc1cccc(-c2nccn2-c2cccc(-n3nnnc3C)c2)c1,,-10.6872,-13.725,kcal/mol
MCULE-4699145334,COc1cccc(C(=O)NCCc2ncnn2-c2ccc3c(c2)OCO3)c1,,-10.61972,-9.978,kcal/mol
MCULE-2070461256,Cc1nc(NCCc2csc(-c3cnccn3)n2)c2c(C)noc2n1,,-10.33365,-12.036,kcal/mol
MCULE-8170313398,Cc1ccc(-c2noc(CCc3c(C)nc4ncnn4c3C)n2)nn1,,-10.50925,-11.556,kcal/mol
MCULE-8322823481,Fc1cccc(-n2cc(CNc3nccc(-c4cccnc4)n3)cn2)c1,,-10.72428,-13.946,kcal/mol
MCULE-4633037025,Cc1ccc2nc(C)cc(C(=O)NCc3cccnc3-n3cncn3)c2c1,,-10.95508,-12.143,kcal/mol
MCULE-3599037458,CC(=O)Nc1ccc(-c2cn(Cc3ccccc3-n3ccnc3C)nn2)cc1,,-10.79062,-12.915,kcal/mol
MCULE-2331149833,O=C(NCc1ccccn1)c1cccc(OC2CCN(c3ccncc3)CC2)c1,,-10.35923,-14.395,kcal/mol
MCULE-9638296456,Cc1nc(CCNc2nccc(-c3ccncc3)n2)nc2c1CCC2,,-10.22776,-11.84,kcal/mol
MCULE-3192639975,Cc1cccc(OCCc2cncc(C(N)=O)c2)c1C,,-10.16811,-11.287,kcal/mol
MCULE-5586929286,COc1cc2c(cc1CNC(=O)c1cccc(Cn3cccn3)c1)CCC2,,-10.33601,-11.342,kcal/mol
MCULE-3579898908,CCc1nccn1CCc1nc(CC(N)=O)nn1Cc1ccccc1C,,-10.71917,-12.183,kcal/mol
MCULE-5401080692,Cc1cc(C)n(CCCc2nc(CC(N)=O)nn2-c2ccccc2C)n1,,-10.58232,-11.802,kcal/mol
MCULE-3923748990,c1cnnc(-c2noc(CCc3ccc4c(c3)OCO4)n2)c1,,-10.20138,-11.646,kcal/mol
MCULE-6567560696,CCc1nc(CCc2cnn(C)c2)n(-c2cc(S([NH-])(=O)=O)ccc2F)n1,,-10.65245,-5.871,kcal/mol
MCULE-5968473322,Cc1ccc2nc(C)cc(C(=O)N(C)Cc3cccc(-c4nnn[n-]4)c3)c2c1,,-10.5494,-13.785,kcal/mol
MCULE-8574561717,O=C(NCCc1nc(-c2ccccc2)no1)C1(c2ccc(F)cc2)CC1,,-10.33949,-12.505,kcal/mol
MCULE-9567855209,Cc1ccc2c(c1)c(CNc1nc(C)nc3ncccc13)nn2C,,-10.69184,-14.353,kcal/mol
MCULE-6005967681,O=C(NC[C@H]1CCc2ccccc2O1)c1cnc(-c2cccnc2)nc1,,-10.20203,-11.974,kcal/mol
MCULE-1714914834,NC(=O)CCN(CCc1ccccc1)C(=O)c1ccc2cccc(F)c2n1,,-10.34521,-12.403,kcal/mol
MCULE-1022713102,O=C(CCc1nc(-c2ccccc2)no1)NCc1cnn2ccccc12,,-10.68574,-12.574,kcal/mol
MCULE-7528211642,COCC(=O)N1CCC(n2c(COc3ccccc3)nc3ccccc32)CC1,,-10.31357,-14.644,kcal/mol
MCULE-7921104365,COc1cccc(CCNC(=O)c2cc(-c3ccccc3)cc(-n3cnnn3)c2)c1,,-10.59439,-18.532,kcal/mol
MCULE-6161172105,CCc1ccc2nc(C)cc(C(=O)NCCc3nc(COC)no3)c2c1,,-10.61299,-12.517,kcal/mol
MCULE-5425687066,Cc1ccc2nc(C(=O)NCCc3nccc(-c4ccccc4)n3)cn2c1,,-10.89934,-13.879,kcal/mol
MCULE-4713349672,Fc1cccc(-n2cc(CNc3nccc(-c4ccncc4)n3)cn2)c1,,-10.75148,-16.216,kcal/mol
MCULE-9802531643,Cc1ccc2cccc(OCCn3cc(-c4cncnc4)nn3)c2n1,,-10.72517,-11.431,kcal/mol
MCULE-7780266389,Cc1ccc(S([NH-])(=O)=O)cc1C(=O)N(C)Cc1cccc2cnccc12,,-10.42213,-7.678,kcal/mol
MCULE-2523417125,CCc1ccc2nc(C)cc(C(=O)NCc3ncc4c(n3)CCC4)c2c1,,-10.64774,-10.188,kcal/mol
MCULE-7459602320,Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cccc(-n3cnnc3)c2)n1,,-10.58118,-6.833,kcal/mol
MCULE-8989950689,Cc1nc(NCCc2nccc(-c3ccccc3)n2)c2cccnc2n1,,-10.6099,-11.241,kcal/mol
MCULE-2245523933,O=C(NCCn1ccnc1)c1cc(-c2ccncc2)nc2ccccc12,,-10.63726,-10.414,kcal/mol
MCULE-8603644621,O=C(NCCc1nccc(-c2ccccc2)n1)c1cccc(-n2cccn2)c1,,-10.75753,-16.116,kcal/mol
MCULE-2409620125,CC(=O)NCc1cc2n(n1)CCN(Cc1c(C)ccc3ccccc13)C2,,-10.62388,-19.38,kcal/mol
MCULE-8343804904,Cc1ccc2nc(C)cc(C(=O)NCCc3nc(-c4ccccn4)no3)c2c1,,-11.21078,-11.144,kcal/mol
MCULE-3758335965,O=c1ccc(CCc2ncnn2-c2cccc3c2CCC3)n[n-]1,,-10.64674,-10.483,kcal/mol
MCULE-5674972070,COc1cccc(OC2CN(C(=O)c3ccc4nc(C)c(C)nc4c3)C2)c1,,-10.20077,-13.303,kcal/mol
MCULE-6998302648,O=C(NCCc1nnc2ccccn12)c1cccc(-n2cccc2)c1,,-10.67543,-13.008,kcal/mol
MCULE-2800039436,OC(COc1ccc2c(c1)CCC2)COc1ccc2c(c1)CCC2,,-10.17564,-13.691,kcal/mol
MCULE-8382201371,COc1ccc(CCNc2ncnc3ccc(F)cc23)cc1,,-10.24902,-7.494,kcal/mol
MCULE-2910004542,O=C(NCCn1ccc2ccc(F)cc21)c1cc(-n2cnnn2)ccc1Cl,,-11.5518,-15.613,kcal/mol
MCULE-9892513645,CC(C)n1nnc(-c2ccc(C(=O)NCCn3cnc4ccccc43)cc2)n1,,-11.23334,-15.773,kcal/mol
MCULE-5947678339,CC(C)Cn1c(CNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21,,-10.63599,-13.946,kcal/mol
MCULE-1991356995,O=C(NCCn1ccc2ccc(F)cc21)c1cccc(-n2cnnn2)c1,,-11.21647,-14.829,kcal/mol
MCULE-2050425877,Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1,,-10.24675,-11.205,kcal/mol
MCULE-4317676988,Cc1ccc(-c2cc(Cc3ccc(F)cc3)c(=O)[n-]n2)cc1,,-10.16079,-14.921,kcal/mol
MCULE-2966753143,Cc1ccc2oc(=O)n(CCc3noc(-c4cc(C)on4)n3)c2c1,,-10.78682,-17.968,kcal/mol
MCULE-4655100464,O=C(NCCn1ccnc1)c1cc(-c2cccnc2)nc2ccccc12,,-10.98964,-12.197,kcal/mol
MCULE-9977083231,O=C(NCC1(c2ccccc2Cl)CC1)c1ccc(-n2cnnc2)cc1,,-10.53828,-14.959,kcal/mol
MCULE-8049968741,O=C(Cc1cccc(F)c1)NCCn1cc(-c2nc(-c3ccccn3)no2)nn1,,-10.74536,-14.213,kcal/mol
MCULE-2435734077,O=C(Cc1cccc2ccccc12)NCCc1cncnc1,,-10.40182,-8.858,kcal/mol
MCULE-2946318671,Cc1cc2ncc(NC(=O)Cn3c(=O)oc4ccccc43)cn2n1,,-10.65304,-15.054,kcal/mol
MCULE-3717924934,Cn1cc(CC(=O)NCc2nnc3c(C(F)(F)F)cccn23)c2ccccc21,,-10.67442,-9.252,kcal/mol
MCULE-1481583919,O=C(CCn1cnc2ccccc21)NCc1nnc2cc(C(F)(F)F)ccn12,,-10.69911,-13.858,kcal/mol
MCULE-8243914792,O=C(CCc1cccc(Cl)c1)N1CCc2nc3ccc(F)cn3c(=O)c2C1,,-10.7054,-13.774,kcal/mol
MCULE-6783681628,O=C(Cc1ccc2c(c1)OCO2)NCc1ccc(-c2cccnc2)nc1,,-10.39182,-12.876,kcal/mol
MCULE-9519888423,Cn1cc(CC(=O)NCc2ccc(-c3cccnc3)nc2)c2ccccc21,,-10.8022,-12.214,kcal/mol
MCULE-4732572396,O=C(NCc1cccnc1-c1ccncc1)c1ccc2nccnc2c1,,-10.34824,-9.416,kcal/mol
MCULE-9923354936,O=C(NCc1ccnc(N2CCCC2)n1)c1cccc2ccccc12,,-10.41085,-14.5,kcal/mol
MCULE-8276338293,O=C(Cn1ccc2ccccc21)NCc1ccnc(-c2cccnc2)c1,,-10.59914,-12.595,kcal/mol
MCULE-7479912832,O=C(CCc1cccc2ccccc12)N1CCc2ncncc2C1,,-10.21933,-13.917,kcal/mol
MCULE-6644847399,Cc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1,,-11.03301,-9.934,kcal/mol
MCULE-7653820937,Cc1noc(-c2ccn3c(CNC(=O)Cc4cccnc4)nnc3c2)n1,,-10.58893,-11.528,kcal/mol
MCULE-6474947755,O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cccc(-n2cnnn2)c1,,-10.68715,-10.228,kcal/mol
MCULE-1261996747,COc1ccc(NC(=O)CCc2ccc(-n3nc(C)cc3C)cc2)cn1,,-10.15312,-12.35,kcal/mol
MCULE-4089469146,CC(=O)Nc1ccc(CC(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)cc1,,-11.00633,-17.646,kcal/mol
MCULE-8094877226,Cc1noc(-c2ccn3c(CNC(=O)CCc4cccc(Cl)c4)nnc3c2)n1,,-11.03854,-12.175,kcal/mol
MCULE-1787878824,O=C(COc1ccc(-n2cccn2)nn1)NCc1nccc(N2CCCCC2)n1,,-10.3832,-11.987,kcal/mol
MCULE-8045277194,Cc1nccn1-c1cc(NC(=O)Cc2cccc3ccccc23)ncn1,,-10.75264,-11.331,kcal/mol
MCULE-4075349065,O=C(Cc1cccs1)Nc1ccccc1Cc1nc(-c2cnccn2)no1,,-10.74231,-8.784,kcal/mol
MCULE-4951082899,O=C(Cc1ccsc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1,,-10.76933,-10.712,kcal/mol
MCULE-6104876863,O=C(Cn1cccn1)Nc1ccccc1Cc1nc(-c2cnccn2)no1,,-10.60802,-9.9,kcal/mol
MCULE-4993671879,Cc1noc(-c2ccn3c(CNC(=O)COc4ccc(F)cc4)nnc3c2)n1,,-10.73979,-15.426,kcal/mol
MCULE-2405955701,COc1ccccc1CCC(=O)NCc1nnc2cc(-c3nc(C)no3)ccn12,,-10.7587,-13.146,kcal/mol
MCULE-3174208008,CCOc1ccc(CC(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)cc1,,-10.98542,-10.471,kcal/mol
MCULE-6438346054,O=C(Cc1cccc(F)c1)NCCn1cc(-c2nc(-c3ccsc3)no2)nn1,,-10.61522,-12.568,kcal/mol
MCULE-3393833750,O=C(Cc1cccc2ccccc12)NCCn1ccnc1-c1ccccn1,,-10.62812,-13.984,kcal/mol
MCULE-7216171215,CCOc1ccc(-c2noc(CNC(=O)Cc3noc4ccccc34)n2)cn1,,-10.69604,-10.339,kcal/mol
MCULE-6768474013,O=C(CCc1cccc(Cl)c1)Nc1ccc(CC(=O)N2CCOCC2)cc1,,-10.24022,-14.188,kcal/mol
MCULE-4141946887,O=C(NCc1cccnc1-c1ccncc1)c1ccc(F)c(F)c1,,-10.3598,-10.72,kcal/mol
MCULE-7578486869,COc1ccc(CCC(=O)NCc2ccnc(-c3ccncc3)c2)cc1,,-10.46448,-13.735,kcal/mol
MCULE-7839902827,O=C(Cc1cccc2ccccc12)NCCn1ccc(-c2cnccn2)n1,,-10.70803,-10.929,kcal/mol
MCULE-9290671404,O=C(COc1ccc(-c2nnc3n2CCCC3)cc1)Nc1cccc(F)c1,,-10.6205,-13.037,kcal/mol
MCULE-4724779086,NC(=O)c1ccc(CN(CCc2ccccc2)Cc2cccnc2)cc1,,-10.52009,-18.808,kcal/mol
MCULE-9567917549,COc1cccc2c1ccn2CCNC(=O)c1cc(-n2cnnn2)ccc1Cl,,-11.3897,-12.941,kcal/mol
MCULE-8989961291,O=C(NCCn1ccc2ccc(Cl)cc21)[C@H](Cc1ccccc1)n1cnnn1,,-10.1558,-11.08,kcal/mol
MCULE-2785758850,O=C(COc1ccc(F)cc1)Nc1cccc(-c2nnc3n2CCCC3)c1,,-10.16218,-14.716,kcal/mol
MCULE-9453842614,COc1cccc(NC(=O)COc2cccc(-c3nnc4n3CCCC4)c2)c1,,-10.59001,-15.075,kcal/mol
MCULE-6698232379,Fc1ccc(Cc2noc(-c3nc(-c4ccncc4)no3)n2)cc1,,-10.76549,-12.837,kcal/mol
MCULE-8363985939,Cc1ccc2ncccc2c1CN(Cc1ccncc1)C[C@@H]1CCC(=O)N1,,-10.41912,-19.461,kcal/mol
MCULE-4512590538,O=C(NC[C@H]1CCc2ccccc2O1)c1cc(-c2ccccc2)on1,,-10.38282,-12.006,kcal/mol
MCULE-2860811489,Cc1cc(C)n(-c2ccc(C(=O)NCCN3CCc4ccccc4C3)cc2)n1,,-10.21219,-20.63,kcal/mol
MCULE-8413238234,O=C(NCc1cccc(OC(F)(F)F)c1)c1ccnc(-n2cnnc2)c1,,-10.62072,-10.447,kcal/mol
MCULE-7856584234,O=C(CCCc1nc(-c2cccnc2)no1)NCc1cnn2cccnc12,,-10.79164,-15.254,kcal/mol
MCULE-5828574250,Cc1cncnc1C1CCN(c2cc(C3CC(N)C3)ncn2)CC1,,-10.46992,-11.951,kcal/mol
MCULE-2933754449,O=C(CCc1cccnc1)NCCc1nccc(-c2ccccc2)n1,,-10.1759,-9.157,kcal/mol
MCULE-2381526369,COCCN(CCc1cn[n-]c1)Cc1cccc2ccccc12,,-10.344,-14.548,kcal/mol
MCULE-2892856423,Cc1nn(-c2cccc(C(=O)NCc3cnn(C)c3)c2)c(=O)c2ccccc12,,-10.21696,-11.61,kcal/mol
MCULE-4093694380,O=C(Cc1ccc2c(c1)OCO2)NCCc1nccc(-c2ccccc2)n1,,-10.4913,-11.062,kcal/mol
MCULE-7796996461,Cc1cc(C(=O)NCCc2nc(C3CC3)no2)c2cc(Cl)ccc2n1,,-10.83426,-13.032,kcal/mol
MCULE-9046640622,Fc1cccc(F)c1-c1nc(CNc2nccc(-c3ccccn3)n2)no1,,-10.76289,-10.561,kcal/mol
MCULE-4511662177,CN(CCn1ccc2ccccc21)C(=O)c1ccc(-c2nnn(C)n2)cc1,,-10.87368,-12.625,kcal/mol
MCULE-3649626264,Cc1c(C(=O)NC2(c3cc(F)ccc3F)CC2)cnc2ccnn12,,-10.53521,-11.764,kcal/mol
MCULE-9731004539,CN(Cc1ccc2nonc2c1)C(=O)CCc1n[n-]c2c1CCCC2,,-10.63194,-12.576,kcal/mol
MCULE-9289985390,Cc1nccc(-c2ccccc2)c1C(=O)NCCc1noc(C2CC2)n1,,-10.59544,-14.626,kcal/mol
MCULE-9801257254,O=C(NCCc1ccccn1)c1cccc(-c2cc(N3CCCC3)cnn2)c1,,-10.44718,-16.648,kcal/mol
MCULE-2681787156,Cc1ccn2c(C(=O)N(C)Cc3cccc4ncccc34)nnc2n1,,-10.57896,-12.446,kcal/mol
MCULE-2957057903,O=C(CN1CCc2ccccc2C1)NCc1cc(-c2cccc(F)c2)no1,,-10.32003,-19.882,kcal/mol
MCULE-2648573444,CN(Cc1cnn(-c2ccc(F)cc2)c1)c1cc(C2CC(O)C2)ncn1,,-10.64791,-17.979,kcal/mol
MCULE-8109170981,O=C(Cn1c(=O)oc2ccccc21)NCCc1nccc(-c2ccccc2)n1,,-10.6159,-10.588,kcal/mol
MCULE-3493995996,COc1ccc(CN(C)C(=O)c2cccc(-n3cnnc3)n2)c2cccnc12,,-10.62183,-12.616,kcal/mol
MCULE-4335602451,CN(CCc1ncon1)C(=O)c1cc(-c2cccnc2)nc2ccccc12,,-10.60269,-10.165,kcal/mol
MCULE-7900093017,CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cn1cc2ccccc2n1,,-10.57331,-15.783,kcal/mol
MCULE-6491710056,Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCn3ccnc3)c2c1,,-11.58998,-9.814,kcal/mol
MCULE-8488572642,Cc1cc(C)nc(CNC(=O)c2cccc(-c3ccc(N(C)C)nn3)c2)n1,,-10.1331,-13.799,kcal/mol
MCULE-6128854287,Cc1ncc(C(=O)NCCc2ccccn2)c(-c2ccccc2)n1,,-10.3215,-9.092,kcal/mol
MCULE-3902853445,Cc1nn(-c2cccc(C(=O)NCCc3cccnc3)c2)c(=O)c2ccccc12,,-10.90727,-14.338,kcal/mol
MCULE-4963146215,Cc1cccc(-c2noc(CCCC(=O)NCc3cnc4cnccn34)n2)c1,,-11.04566,-17.537,kcal/mol
MCULE-1273105250,NC1CC(c2cc(N3CCC(Cc4ccccc4)CC3)ncn2)C1,,-10.4198,-17.818,kcal/mol
MCULE-2290693541,Cc1nnc(CCNC(=O)c2cc(-c3cccnc3)nc3ccccc23)s1,,-11.49287,-11.291,kcal/mol
MCULE-3203091691,Cc1nc(CCNC(=O)CCC(=O)c2ccc(F)cc2)nc2c1CCCC2,,-10.15771,-8.622,kcal/mol
MCULE-1857279982,Cc1nc(CCNC(=O)c2ccc(-c3nc(C)n(C)n3)cc2)nc2c1CCC2,,-10.68338,-15.172,kcal/mol
MCULE-4386179131,O=C(COc1ccc(-n2cnnn2)cc1)NCc1cnc2ccccn12,,-10.7178,-12.445,kcal/mol
MCULE-4129893629,CN(Cc1n[n-]c2c1CCCC2)Cc1nn(C)c2cccc(Cl)c12,,-10.18698,-15.358,kcal/mol
MCULE-6373988811,O=C(CCn1cnc2ccccc21)NCCc1nccc(-c2ccccc2)n1,,-10.6724,-12.883,kcal/mol
MCULE-6623114193,Cc1ccc2nc(-c3cccnc3)cc(C(=O)N(C)CCc3ncon3)c2c1,,-11.19429,-12.028,kcal/mol
MCULE-4836933282,Cc1noc2nc(C3CC3)cc(C(=O)NCCc3noc(C(F)(F)F)n3)c12,,-10.69626,-11.745,kcal/mol
MCULE-4582626246,O=C(CCCc1nc(-c2ccncc2)no1)NCc1cnn2cccnc12,,-10.90218,-14.445,kcal/mol
MCULE-2909701794,O=C([O-])COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1,,-10.14284,-16.596,kcal/mol
MCULE-3062411043,CN(Cc1cccc2cnccc12)C(=O)Cc1ccc(OCCN)cc1,,-10.13176,-10.873,kcal/mol
MCULE-7513471657,Cc1nn(C)c(C)c1CN(C(=O)c1cccc(-c2cc(N)ncn2)c1)C1CC1,,-10.60838,-13.27,kcal/mol
MCULE-5869672855,O=C(Cn1cnc2ccccc21)NCc1noc(-c2c(F)cccc2F)n1,,-10.73648,-16.397,kcal/mol
MCULE-7823921054,Cc1cccc(C)c1CN1CCn2nc(CNc3cnccn3)cc2C1,,-10.18975,-19.174,kcal/mol
MCULE-9101913513,O=C(Cc1ccccc1C(F)(F)F)NCCc1noc(C2CCC2)n1,,-10.61482,-10.245,kcal/mol
MCULE-5206475008,CN(Cc1ccc2ncccc2c1)C(=O)Cc1cccc(OCCN)c1,,-10.7387,-8.942,kcal/mol
MCULE-1881661339,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cnc2cnccn12,,-10.6045,-13.743,kcal/mol
MCULE-8966695498,CN(CCn1ccc2ccccc21)c1cc([C@H]2C[C@@H](N)C2)ncn1,,-10.22251,-11.351,kcal/mol
MCULE-1800135480,COc1ccccc1-c1noc(CCC(=O)NCc2cnc3ccccn23)n1,,-10.7902,-12.382,kcal/mol
MCULE-6593112244,c1cncc(CCc2ncnn2Cc2ccc3c(c2)OCO3)c1,,-10.2308,-11.124,kcal/mol
MCULE-7204723673,O=C(NCCc1noc(C2CCC2)n1)c1ccnc2ccccc12,,-10.27049,-11.864,kcal/mol
MCULE-8823884717,CN(Cc1cccc2ccccc12)c1cc([C@H]2C[C@@H](N)C2)ncn1,,-10.16652,-9.382,kcal/mol
MCULE-4845518079,Cc1ccc2ncccc2c1CNC(=O)Cc1nonc1C,,-10.75241,-13.556,kcal/mol
MCULE-2351332450,CN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cccc2nonc12,,-10.5134,-17.932,kcal/mol
MCULE-6981138872,O=C(COc1ccc(F)cc1F)NCCc1nccc(-c2ccccc2)n1,,-10.61548,-8.179,kcal/mol
MCULE-4370703045,O=C(CCCc1nc(-c2cccnc2)no1)NCc1nnc(-c2ccccc2)o1,,-10.89727,-12.808,kcal/mol
MCULE-9876918103,CN(CCn1c(=O)oc2ccccc21)Cc1cccc(-c2nnn[n-]2)c1,,-10.69203,-19.651,kcal/mol
MCULE-8165523004,CCc1ccc(CN(C)C(=O)c2cccc(-c3cc(N(C)C)ncn3)c2)nc1,,-10.21191,-13.425,kcal/mol
MCULE-6798434663,Cc1nc2ncccn2c1C(=O)NCc1cccc(-n2cccn2)c1,,-10.63866,-12.294,kcal/mol
MCULE-6411644660,CN(Cc1nc2ccccc2c(=O)[n-]1)Cc1nnc(-c2cccnc2)o1,,-10.64813,-17.031,kcal/mol
MCULE-8365911576,Cc1cccn2c(CC(=O)NCCc3ccc4c(c3)OCO4)cnc12,,-10.66668,-10.509,kcal/mol
MCULE-5870867345,CN(CCc1noc(C2CC2)n1)C(=O)CCc1nc2ccccc2nc1[O-],,-10.83074,-13.242,kcal/mol
MCULE-1936287661,Cc1nnc(CCNC(=O)c2cccc(-c3ccc4c(c3)CCO4)c2)s1,,-10.56997,-13.157,kcal/mol
MCULE-2714767984,O=C([O-])COc1ccc(-c2cnccn2)cc1CN1CCc2ccccc2C1,,-10.55527,-16.929,kcal/mol
MCULE-2479835031,CN(Cc1cc(Cl)ccc1OCC(N)=O)Cc1cccc2cccnc12,,-10.69697,-17.878,kcal/mol
MCULE-6470566296,Cc1nccc(-c2ccccc2)c1C(=O)NCCc1nc(-c2ccccn2)no1,,-11.12612,-13.488,kcal/mol
MCULE-8020272791,Cc1ccccc1-c1noc(CCCC(=O)NCc2cnc3cnccn23)n1,,-10.91751,-18.049,kcal/mol
MCULE-2308383301,COc1ccc2c(ccn2CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)c1,,-10.46865,-18.47,kcal/mol
MCULE-7985845076,CC(C)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C,,-10.3356,-9.849,kcal/mol
MCULE-8595440870,CC(C)n1nnc(-c2ccc(C(=O)NCCn3ccc4ccccc43)cc2)n1,,-10.87291,-16.234,kcal/mol
MCULE-3639780844,O=C(COc1ccccc1-n1cnnc1)NCCn1ccc2c(Cl)cccc21,,-10.60698,-14.539,kcal/mol
MCULE-3565883993,O=C(Nc1cccn2nnnc12)[C@@H](Cc1ccccc1)n1cccc1,,-10.18433,-15.545,kcal/mol
MCULE-6263694279,O=C(NCc1ccccc1)c1ccc(S(=O)(=O)c2ccccc2)cc1,,-10.18689,-11.368,kcal/mol
MCULE-5690827730,Cc1cc(C(=O)NCCc2cn(C)c3ccccc23)c2c(C)noc2n1,,-11.28013,-13.269,kcal/mol
MCULE-4762497364,Cc1ccccc1NC(=O)Cn1cc(-c2noc(-c3ccncc3)n2)nc1C,,-10.47891,-10.687,kcal/mol
MCULE-7418466595,COc1ccc(CCNC(=O)c2c(C)noc2-c2ccccc2C)cn1,,-10.78823,-13.33,kcal/mol
MCULE-2440546853,O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCCc1ccccn1,,-10.1828,-9.326,kcal/mol
MCULE-3801596490,CCNC(=O)c1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1,,-10.26073,-21.772,kcal/mol
MCULE-3179005278,CCNC(=O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1,,-10.28349,-20.571,kcal/mol
MCULE-2009358123,Cc1ccc(-n2nc(C(=O)NCc3cccnc3)nc2Cc2ccccc2)cc1,,-10.72135,-14.482,kcal/mol
MCULE-6843523017,O=C(Cc1ccc(F)cc1)NCc1nc(-c2ccc3c(c2)OCO3)no1,,-10.38442,-10.281,kcal/mol
MCULE-2959606832,O=C(NCc1cccnc1)c1nc(CCc2ccccc2)n(-c2ccccc2)n1,,-10.90945,-12.138,kcal/mol
MCULE-8529210880,O=C(Cc1cccc(Cl)c1)N1CCC(n2cnnc2C2CC2)CC1,,-10.16502,-13.565,kcal/mol
MCULE-1208428051,CCOc1ccc2c(n1)CCN(C(=O)Cc1c[nH]c3ccccc13)C2,,-10.44517,-16.288,kcal/mol
MCULE-4373068394,Cc1cccc(CC(=O)N2CC(Oc3ccccc3-c3noc(C)n3)C2)c1,,-10.49697,-13.655,kcal/mol
MCULE-6469643704,CC(C)c1noc(-c2cccn3c(CNC(=O)Cc4ccc(F)cc4)nnc23)n1,,-10.59517,-16.582,kcal/mol
MCULE-2439463566,COc1cccc(CC(=O)NCc2nnc3cc(-c4nc(C)no4)ccn23)c1,,-10.99848,-10.285,kcal/mol
MCULE-4979631940,Cc1noc(-c2ccn3c(CNC(=O)c4cc(Cl)ccc4F)nnc3c2)n1,,-10.62695,-14.338,kcal/mol
MCULE-4726871510,Cc1noc(-c2ccn3c(CNC(=O)c4cc(F)ccc4F)nnc3c2)n1,,-10.62112,-12.022,kcal/mol
MCULE-8102676144,CCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(OC)c4)nnc3c2)n1,,-10.83932,-7.299,kcal/mol
MCULE-9861084666,CCc1noc(-c2ccn3c(CNC(=O)Cc4ccc(C)cc4)nnc3c2)n1,,-10.92597,-15.029,kcal/mol
MCULE-2565089933,CCc1noc(-c2ccn3c(CNC(=O)c4c(F)cccc4F)nnc3c2)n1,,-10.71909,-11.4,kcal/mol
MCULE-3773895135,CCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1,,-11.11255,-9.843,kcal/mol
MCULE-5579847777,CCc1noc(-c2ccn3c(CNC(=O)c4cc(F)ccc4F)nnc3c2)n1,,-10.76805,-13.341,kcal/mol
MCULE-4909791298,CCc1noc(-c2ccn3c(CNC(=O)CCCc4ccccc4)nnc3c2)n1,,-10.90132,-14.862,kcal/mol
MCULE-3181093167,CCc1noc(-c2ccn3c(CNC(=O)COc4ccc(F)cc4)nnc3c2)n1,,-11.01788,-12.226,kcal/mol
MCULE-1152858783,CCc1noc(-c2ccn3c(CNC(=O)Cc4ccccc4Cl)nnc3c2)n1,,-10.91372,-13.662,kcal/mol
MCULE-4643604489,CCc1noc(-c2ccn3c(CNC(=O)CCc4ccccc4)nnc3c2)n1,,-10.65377,-13.492,kcal/mol
MCULE-5557214529,CCc1noc(-c2ccn3c(CNC(=O)COc4cccc(C)c4)nnc3c2)n1,,-10.71141,-13.93,kcal/mol
MCULE-9357191123,CCCc1noc(-c2ccn3c(CNC(=O)c4ccc(CC)cc4)nnc3c2)n1,,-10.82238,-14.469,kcal/mol
MCULE-3444965949,CCCc1noc(-c2ccn3c(CNC(=O)c4c(F)cccc4F)nnc3c2)n1,,-10.72285,-15.901,kcal/mol
MCULE-7243942567,CCCc1noc(-c2ccn3c(CNC(=O)Cc4cccc(F)c4)nnc3c2)n1,,-11.10622,-14.266,kcal/mol
MCULE-2101754271,CCCc1noc(-c2ccn3c(CNC(=O)c4ccc(C)cc4C)nnc3c2)n1,,-10.61033,-14.816,kcal/mol
MCULE-6487358468,CCCc1noc(-c2ccn3c(CNC(=O)c4cc(F)ccc4F)nnc3c2)n1,,-10.65213,-12.927,kcal/mol
MCULE-7592822804,CCCc1noc(-c2ccn3c(CNC(=O)c4ccc(C)c(F)c4)nnc3c2)n1,,-10.81393,-13.169,kcal/mol
MCULE-3524969508,CCc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1,,-10.7454,-13.352,kcal/mol
MCULE-7689539136,CC(C)c1noc(-c2ccn3c(CNC(=O)Cc4ccc(F)cc4)nnc3c2)n1,,-10.94229,-15.732,kcal/mol
MCULE-7107516598,Cc1ccc(C(=O)NCc2nnc3cc(-c4nc(C(C)C)no4)ccn23)cc1F,,-10.70367,-17.635,kcal/mol
MCULE-7569747567,CCOc1ccc(CC(=O)NCc2nnc3ccc(-c4ccccc4)nn23)cc1,,-10.68831,-11.576,kcal/mol
MCULE-9670905663,COc1cccc(CC(=O)NCc2nnc3ccc(-c4ccccc4)nn23)c1,,-10.96473,-12.069,kcal/mol
MCULE-7201746575,O=C(Cc1cccc(F)c1)NCc1nnc2ccc(-c3ccccc3)nn12,,-10.96715,-11.815,kcal/mol
MCULE-6156606659,O=C(NCc1nnc2ccc(-c3ccccc3)nn12)c1cc(F)ccc1F,,-10.78429,-13.823,kcal/mol
MCULE-8608052946,O=C(Cc1ccc(F)cc1)NCc1nnc2ccc(-c3ccccc3)nn12,,-10.98441,-14.688,kcal/mol
MCULE-7420427066,O=C(COc1ccc(F)cc1)NCc1nnc2ccc(-c3ccccc3)nn12,,-10.82346,-13.396,kcal/mol
MCULE-2723593254,COc1cccc(CCC(=O)NCc2nnc3ccc(-c4ccccc4)nn23)c1,,-10.7241,-12.343,kcal/mol
MCULE-6262110632,O=C(Cc1cccc(Cl)c1)NCc1nnc2ccc(-c3ccccc3)nn12,,-11.07022,-15.394,kcal/mol
MCULE-1356640824,O=C(Cc1cccc(F)c1)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12,,-11.09054,-13.57,kcal/mol
MCULE-1049708903,O=C(Cc1ccc(F)cc1)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12,,-11.14088,-13.014,kcal/mol
MCULE-3218969370,O=C(COc1ccccc1)NCc1nnc2ccc(-c3ccc(Cl)cc3)nn12,,-10.62517,-15.726,kcal/mol
MCULE-6378078371,O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccc(-c3ccc(F)cc3)nn12,,-10.89313,-12.697,kcal/mol
MCULE-9142840152,O=C(Cc1cccc(F)c1)NCc1nnc2ccc(-c3ccc(F)cc3)nn12,,-10.94879,-15.021,kcal/mol
MCULE-7218656819,COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1F,,-10.85136,-16.653,kcal/mol
MCULE-7782509615,O=C(Cc1ccc(F)cc1)NCc1nnc2ccc(-c3ccc(F)cc3)nn12,,-10.9775,-11.679,kcal/mol
MCULE-3424613018,O=C(Cc1cccc(Cl)c1)NCc1nnc2ccc(-c3ccc(F)cc3)nn12,,-11.03557,-11.097,kcal/mol
MCULE-2786946285,Cc1ccc(-c2ccc3nnc(CNC(=O)c4c(F)cccc4F)n3n2)cc1,,-10.7885,-14.315,kcal/mol
MCULE-3276710727,Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4cccc(F)c4)n3n2)cc1,,-10.90286,-11.248,kcal/mol
MCULE-7743420093,COc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1F,,-11.12942,-17.85,kcal/mol
MCULE-6734908754,Cc1ccc(-c2ccc3nnc(CNC(=O)c4cc(F)ccc4F)n3n2)cc1,,-11.15708,-16.515,kcal/mol
MCULE-1356117522,Cc1ccc(-c2ccc3nnc(CNC(=O)COc4ccc(F)cc4)n3n2)cc1,,-11.00481,-15.47,kcal/mol
MCULE-8444774745,Cc1ccc(-c2ccc3nnc(CNC(=O)COc4ccccc4)n3n2)cc1,,-10.66933,-13.98,kcal/mol
MCULE-8367332259,Cc1ccc(C(=O)NCc2nnc3ccc(-c4ccc(C)cc4)nn23)cc1,,-10.87788,-17.143,kcal/mol
MCULE-2957257644,Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(F)c(F)c4)n3n2)cc1,,-10.98382,-17.559,kcal/mol
MCULE-9206659334,Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4cccc(C)c4)n3n2)cc1,,-11.40752,-14.784,kcal/mol
MCULE-2700767921,COc1ccc(-c2ccc3nnc(CNC(=O)Cc4cccc(F)c4)n3n2)cc1,,-10.90569,-12.954,kcal/mol
MCULE-4850769827,COc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(C)cc4C)n3n2)cc1,,-11.38957,-16.0,kcal/mol
MCULE-6729209263,COc1ccc(-c2ccc3nnc(CNC(=O)c4cc(F)ccc4F)n3n2)cc1,,-10.8155,-13.763,kcal/mol
MCULE-7958547619,COc1ccc(-c2ccc3nnc(CNC(=O)Cc4ccc(F)cc4)n3n2)cc1,,-10.81318,-10.649,kcal/mol
MCULE-9944604133,COc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(F)c(F)c4)n3n2)cc1,,-10.81017,-15.4,kcal/mol
MCULE-1201251022,COc1ccc(-c2ccc3nnc(CNC(=O)c4ccccc4Cl)n3n2)cc1,,-10.63184,-17.302,kcal/mol
MCULE-6114001778,Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4cccc(F)c4)n3n2)cc1C,,-11.43272,-14.184,kcal/mol
MCULE-3792249145,Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4ccc(F)cc4)n3n2)cc1C,,-11.38214,-14.372,kcal/mol
MCULE-8139941645,Cc1ccc(-c2ccc3nnc(CNC(=O)Cc4ccsc4)n3n2)cc1C,,-10.60822,-12.069,kcal/mol
MCULE-5402178740,Cc1ccc(-c2ccc3nnc(CNC(=O)COc4ccccc4)n3n2)cc1C,,-10.98291,-15.104,kcal/mol
MCULE-6355212835,Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccc(F)cc4)n3n2)cc1C,,-10.82581,-16.125,kcal/mol
MCULE-4136965242,Cc1ccc(-c2ccc3nnc(CNC(=O)c4cccc(F)c4)n3n2)cc1C,,-11.10064,-15.321,kcal/mol
MCULE-7024904746,Cc1ccc(-c2ccc3nnc(CNC(=O)c4ccccc4F)n3n2)cc1C,,-10.77649,-16.708,kcal/mol
MCULE-9591948056,O=C(CN1CCCc2nc(C3CC3)ncc2C1=O)NCc1cc(F)ccc1F,,-10.25387,-7.751,kcal/mol
MCULE-8102734951,O=C(NCc1cc(C2CC2)ncn1)c1cccc2ccccc12,,-11.03707,-12.27,kcal/mol
MCULE-9632294494,O=C(CCC(=O)c1ccccc1)NCc1ccnc(-c2cccnc2)c1,,-10.19693,-7.681,kcal/mol
MCULE-9563492317,Cc1noc(-c2cccn3c(CNC(=O)Cc4ccc(F)cc4F)nnc23)n1,,-10.81219,-14.388,kcal/mol
MCULE-1029424134,Cn1cc(-c2cncc(CNC(=O)c3ccccc3C(F)(F)F)c2)cn1,,-10.65579,-11.885,kcal/mol
MCULE-8075064317,Cn1cc(-c2cncc(CNC(=O)CCC(=O)c3ccccc3)c2)cn1,,-10.49829,-12.383,kcal/mol
MCULE-8770301176,Cn1nccc1-c1cncc(CNC(=O)c2cccc3c2OCCO3)c1,,-10.14029,-16.568,kcal/mol
MCULE-5492766917,O=C(Cc1cccc2ccccc12)NCc1cn(-c2ccsc2)nn1,,-10.62399,-13.023,kcal/mol
MCULE-2597777005,O=C(NCc1cncc(N2CCCC2=O)c1)c1cccc2ccccc12,,-10.64656,-15.472,kcal/mol
MCULE-9103775678,Cc1ccc(CCC(=O)NCc2ccnc(N3CCCC3=O)c2)cc1F,,-10.54601,-13.275,kcal/mol
MCULE-3161039055,Cc1cc(CCC(=O)NCc2nccnc2-c2cccnc2)ccc1F,,-10.28312,-9.816,kcal/mol
MCULE-6433230516,O=C(Cc1ccc(Cl)cc1)N1CC(c2nc(-c3ncccn3)no2)C1,,-10.19539,-13.577,kcal/mol
MCULE-7332205445,O=C(Cc1cccc(C(F)(F)F)c1)NCCn1ccnc1-c1cnccn1,,-10.73632,-8.283,kcal/mol
MCULE-4994714829,O=C(CCC(=O)c1ccccc1)NCc1nnc2ccc(-c3cccs3)nn12,,-10.69947,-13.471,kcal/mol
MCULE-2744473238,O=C(CCC(=O)c1ccccc1)NCc1nnc2ccc(-c3ccsc3)nn12,,-10.66838,-12.404,kcal/mol
MCULE-7260573260,Cc1noc(C)c1CCC(=O)NCc1nc(C2CCC(F)(F)CC2)no1,,-10.14734,-12.195,kcal/mol
MCULE-7393684684,Cn1cc(-c2cncc(CNC(=O)Cn3ccc4ccccc43)c2)cn1,,-10.91756,-13.866,kcal/mol
MCULE-2825640013,Cn1cc(-c2cncc(CNC(=O)c3cccc(OC(F)(F)F)c3)c2)cn1,,-10.79065,-12.974,kcal/mol
MCULE-8204416689,Cn1cc(-c2ccc(CNC(=O)Cc3c(F)cccc3Cl)cn2)cn1,,-10.35666,-12.458,kcal/mol
MCULE-4177357152,Cn1cc(-c2ccc(CNC(=O)Cc3cccc4ccccc34)cn2)cn1,,-11.0206,-14.705,kcal/mol
MCULE-8175528148,Cn1cc(-c2cc(CNC(=O)Cc3noc4ccccc34)ccn2)cn1,,-10.65366,-11.435,kcal/mol
MCULE-6838254622,Cc1oncc1CNC(=O)Cc1cccc2ccccc12,,-10.83151,-10.185,kcal/mol
MCULE-3955757682,O=C(CC(c1ccccc1)c1ccccc1)N1CC(Nc2ccncn2)C1,,-10.59254,-11.82,kcal/mol
MCULE-1854066953,Cn1cc(CNC(=O)c2ccc3oc(CCc4ccccc4)nc3c2)cn1,,-10.65333,-11.86,kcal/mol
MCULE-9731084525,CC(C)N1CCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)CC1,,-10.30191,-16.493,kcal/mol
MCULE-7721027651,Cc1cccc(-n2nc(CC(N)=O)nc2CCOc2ccccc2C)n1,,-10.68892,-11.444,kcal/mol
MCULE-1734472056,Cc1nnnn1-c1ccc(CC(=O)NCc2csc(-c3cnccn3)n2)cc1,,-10.65004,-10.874,kcal/mol
MCULE-6999149638,Cc1noc(-c2ccn3c(CNC(=O)Cc4ccc(F)cc4)nnc3c2)n1,,-10.5753,-11.297,kcal/mol
MCULE-1410318412,Cn1cc(CCNC(=O)c2cc(-n3cnnc3)ccc2Cl)c2ccccc21,,-11.23635,-12.993,kcal/mol
MCULE-5386583123,O=C(NCc1ccnc(-c2cccnc2)c1)c1cc(-c2cccnc2)on1,,-10.67721,-10.303,kcal/mol
MCULE-3116047500,Cc1ccc(Cn2ncnc2CCCc2nc(-c3ccncc3)no2)cc1,,-10.6628,-15.144,kcal/mol
MCULE-8093238000,Cc1ccc2oc(=O)n(CCC(=O)Nc3cccc(-n4nnnc4C)c3)c2c1,,-11.39448,-14.731,kcal/mol
MCULE-9716192885,COc1cc(-n2cnnn2)ccc1NC(=O)CCCc1ccc(F)cc1,,-11.03502,-14.991,kcal/mol
MCULE-2590467335,CCc1c(C)nn(CC(=O)Nc2cc(-c3nnc(C)o3)ccc2OC)c1C,,-10.63876,-15.122,kcal/mol
MCULE-6656346887,Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(-n2nnnc2C)c1,,-10.59646,-13.229,kcal/mol
MCULE-2763567934,COc1cc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cc(-n2cnnn2)c1,,-10.66511,-15.87,kcal/mol
MCULE-8525146892,O=C(Cc1ccccc1OCc1ccccc1)NCc1noc(C2CC2)n1,,-10.62747,-10.55,kcal/mol
MCULE-5227506864,O=C(CCn1cnc2ccccc21)NCc1ccc(-n2cncn2)cc1,,-10.25956,-9.024,kcal/mol
MCULE-7360592218,FC(F)(F)c1nc(NCCc2nc(-c3ccccn3)no2)nc2c1CCCC2,,-10.63861,-8.537,kcal/mol
MCULE-1881087529,COc1ccc(-n2cnnc2)cc1NC(=O)Cc1cn(C)c2ccccc12,,-10.75942,-13.555,kcal/mol
MCULE-3767008175,O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(OCC(=O)N2CCOCC2)cc1,,-10.27632,-11.095,kcal/mol
MCULE-2188699675,COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCc1ccc2c(c1)OCO2,,-11.22108,-15.44,kcal/mol
MCULE-7814300880,CN(Cc1cc(-c2ccccc2)no1)C(=O)Cc1n[n-]c2ccccc12,,-10.90689,-14.806,kcal/mol
MCULE-2062647958,CN(Cc1cc(-c2ccncc2)no1)C(=O)Cc1n[n-]c2ccccc12,,-10.79316,-14.988,kcal/mol
MCULE-9374428110,FC(F)(F)c1nnc(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)s1,,-10.16085,-20.626,kcal/mol
MCULE-2312190031,Cc1n[n-]c(C)c1CCCN(C)Cc1nnc(-c2cccc(F)c2)o1,,-10.15059,-11.358,kcal/mol
MCULE-2064500074,CN(Cc1cccc2cnccc12)C(=O)c1cccc(OCC(N)=O)c1,,-10.79721,-10.998,kcal/mol
MCULE-8698902218,CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1cccc2cnccc12,,-10.30348,-13.907,kcal/mol
MCULE-9723732692,CC(=O)c1cccc(NC(=O)CC2(N3Cc4ccccc4C3=O)CCOCC2)c1,,-10.13335,-14.114,kcal/mol
MCULE-7301981005,COc1ccccc1CCNC(=O)CN(C)Cc1ccc2ncccc2c1,,-10.20117,-12.946,kcal/mol
MCULE-1365092900,Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1C1CCN(C)CC1,,-10.46974,-12.988,kcal/mol
MCULE-2332795511,O=C(CCN(CCc1ccccc1)C(=O)c1cnccn1)NCc1cccnc1,,-10.27094,-11.325,kcal/mol
MCULE-7309074335,O=C1COc2ccc3ccccc3c2CN1CCc1cccnc1,,-10.77655,-12.198,kcal/mol
MCULE-1679482007,Cc1nc(CCNc2nnc(Cc3ccncc3)o2)nc2c1CCCC2,,-10.54452,-10.397,kcal/mol