sample_gen_SELF_VAEProp_obj_w0.1.csv

gen_mol,SMILES,gen_romol,gen_logP,gen_qed,gen_SAS,gen_obj
[C][C][C][Branch1][Ring1][C][C][N][N][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][Ring1][P][C],CCC(CC)N1N=CC(C(=O)N(C)CC=2C(C)=NOC=2C)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F80BD60>,3.429660000000002,0.818275553387495,2.7218320806661414,1.3695456862713336
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(NC(=O)CCC(=O)C2=CC=C(C)S2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F80BE40>,3.8607200000000024,0.8232748281999559,1.9125082247781826,2.2038659162215968
[C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Ring1][Branch2],CN(CC1=CC=C(F)C=C1)C(=O)C2=CC=C3C(=C2)NC(=O)CN3,<rdkit.Chem.rdchem.Mol object at 0x000002763F80BDD0>,2.4619,0.9148637211181518,2.249878471198686,2.3244401343920735
[C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][C][C][Ring2][Ring1][Ring1],CC=1N=CN(N=1)C(C(=O)NCC2=CC=C(C#N)C=C2C)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F80BEB0>,2.42422,0.8877074027187153,3.1419745746624237,1.2965624389311525
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch2][S][Ring1][N],CC1=CC=CC=C1NC(=O)C2CN(C(=O)C3CC3)CC2S,<rdkit.Chem.rdchem.Mol object at 0x000002763F80BF20>,2.1003200000000004,0.8403129275922565,3.109454482404752,1.0921101555565302
[C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],COC1=CC(N)=CC=C1NC(=O)C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F80BF90>,2.668800000000001,0.8337746085862208,1.6630477824214704,2.505825260509633
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N],CCCCN(C)C(=O)N1C=CC=C(C)C(S(C)(=O)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58040>,2.499900000000001,0.8009810245372381,3.37706760961495,0.6278375130712401
[C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][Ring1][P],CC=NOC=NC(C(C)C)=CC(C(=O)N1CCCC(C)C1)=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE580B0>,3.391600000000002,0.2482169376735772,4.389129505029194,-3.148044816661308
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Ring1][=C][C],COC1=CC=CC=C1C2=CCN(CC(C)C)C(=O)C=C(C)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58120>,3.369900000000002,0.854018259597834,2.9155529597870196,1.3545383382021505
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][O][C],CC(=O)NC1=CC=CC2=C1NC(C)C(=O)N2CCOC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58190>,1.4384,0.8733304574616901,2.984204600576531,1.3824476867319202
[C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1],CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)NC2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58200>,3.5847000000000016,0.9390149445898904,2.5541188398926415,2.1409558830568107
[C][C][C][=N][O][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][=N][Ring2][Ring1][Ring1],CCC1=NOC(C2=CC=CC(C(=O)NC3CCCC3)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58270>,2.971400000000001,0.9373539547984114,2.036554843635196,2.650214930356861
[C][C][N][C][C][Branch1][#Branch1][C][C][C][Ring1][=Branch1][=O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1],CCN1CC2(CCC1=O)CCN(C(=O)NC(C)C3=CC=NC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE582E0>,2.5767000000000007,0.9164018775543914,3.4483507691312862,1.1336586186406707
[C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1],COC1=CC(Cl)=CC=C1CNC(=O)CC2=C[NH1]C3=CC=C(F)C=C23,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58350>,3.8279000000000023,0.73739964572069,2.0624676456189768,1.6245305829844732
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C],CCC(C)NC(=O)C1CC(=O)N(C2=CC(F)=CC(F)=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE583C0>,2.2324,0.9260325263769847,2.855907867857775,1.7742547640271482
[C][N][C][C][C][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][S][Ring1][=C][=Branch1][C][=O][=O],CNCCCC(C)=NC1=CC=C(C(F)(F)F)C=C1S(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58430>,2.767700000000001,0.4809185192799392,3.4185197193332675,-1.0139271229335716
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2],CC1=CC(C)=C(C(=O)NC(C)C(=O)NC(C)(C)C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE584A0>,2.6448600000000013,0.8988307196405535,2.501418486223322,1.992735111979445
[C][C][C][C][=N][NH1][C][Branch2][Ring1][P][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2][C][C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch1],C1CCC=N[NH1]C21CCN(C(=O)C3=CN=C(C4CCCO4)S3)CC2O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58510>,1.6995000000000002,0.8340267771574473,4.907609764003213,-0.7374758782159763
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F],CCCNC(=O)CNC(=O)C1=CC(Br)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58580>,1.8441999999999994,0.8705854918503224,1.8300424275617733,2.522885031689839
[C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][S][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1],CCCN1N=NN=C1CSC2=NC=NC=3SC=CC2=3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE585F0>,2.3801000000000005,0.530994303600251,2.6648970204475937,-0.009925502446338719
[C][C][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C],CCN(CC1CCOC1)C(=O)CCC2CC(CC(O)C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58660>,4.191600000000004,0.705953247211023,3.549932358374284,-0.0201661223191687
[N][#C][C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][C][=Ring2][Ring1][C][C][C][N][C][Ring1][=Branch2],N#CC=1C=C(CC(=O)NC2=CC=C(Cl)C=C23)[NH1]C(=O)C=1CCNC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE586D0>,1.7268799999999997,0.6787217711444912,4.233014852032531,-0.8394059963100746
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][O],CC1=NN(C)C=C1CN2CCCC(C3=CC=CO3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58740>,2.7011200000000013,0.8496225152136655,2.8878745319263928,1.3602380441419344
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=O],CN1C(=O)C(C)(C)C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE587B0>,2.1073,0.8498507264354423,3.006213613123961,1.2430400190532502
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],CCCS(=O)(=O)N1CCCC1C(=O)NC2=CC=C(C)C(C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58820>,2.4461400000000006,0.904462859256843,2.496436428106117,2.025877868178098
[O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F],O=C(NCC1=CC=NC(OC2CCC2)=C1)NC3=CC=CC(F)=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58890>,3.612800000000002,0.8784284864852293,2.2338545234470324,2.158287908979114
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(NC(=O)COC(=O)C2=CC=C(Cl)C=C2O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58900>,2.8497000000000003,0.820644779838378,1.7294003498969115,2.373823549294979
[C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],CN(CC1=CC=CC=C1F)C(=O)C2=CC=CC=C2C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58970>,4.1167000000000025,0.7810096680831142,1.9140625879559874,1.9909857524595838
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][=Branch2][=O],COCCN(CC1=CC=CC=N1)C2=NC3=NC=C2C(C3)OC=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE589E0>,1.2948000000000002,0.6794761856872882,4.461633008292632,-1.0642520798561916
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2],CC(=O)NCCNC(=O)C1=CC=C(Cl)C2=C1COC(C)(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58A50>,2.0572,0.8330385466560021,2.558647203340602,1.6065455299394085
[N][#C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N][=C][Ring2][Ring1][C],N#CC1=CC=CC(C2NCCC3=CC(Cl)=C(O)C=C32)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58AC0>,3.152380000000001,0.8456635174119884,2.9324488258249666,1.295868761234976
[H][N][=C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],[H]N=CN(CCO)C1=CC=C(Cl)C=C1NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58B30>,3.489370000000002,0.5634328228307582,2.5799546617881983,0.237209452365593
[O][C][C][Branch1][#C][N][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F],OCC(NC1=NC=NC=2SC=CC1=2)C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58BA0>,2.975900000000001,0.7749916511630677,2.8326114392550927,1.0423468165602454
[C][N][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][C][Ring1][O][=C][C][Ring2][Ring1][C][=O],CN1C=CC(C(=O)NCC(C2=CC=CN2C)C)=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58C10>,1.2573,0.9114072440506265,3.0238826425345717,1.5331535777185605
[C][C][C][=C][Branch1][C][C][N][=C][Branch1][P][C][N][Branch1][=Branch1][C][C][C][C][#N][C][C][O][C][C][Ring1][S][S][Ring2][Ring1][Ring1],CC1C=C(C)N=C(CN(CCCC#N)CCOCC)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58C80>,3.0662800000000017,0.6133981153238943,3.8906342509261806,-0.8236436743067088
[O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][#C][C][=N][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][C][Ring1][=C],O=C(CC1=CC=CS1)N2CCC(C3=N[NH1]C(C4CC4)=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58CF0>,2.6923000000000012,0.9431071588320169,2.5368666264175257,2.1786691677425587
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C],COC(=O)C1=CC=C(C(=O)OC2CCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58D60>,2.5726000000000004,0.771334057818602,1.7004271906977966,2.156243098395213
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][Ring1][O],CC1=NN(C)C(C)=C1CNC(=O)C2=COC(C=3C=NN(C)C=3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58DD0>,1.3554399999999998,0.7848314819744682,2.6119931383584483,1.3121642715138924
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N][=C][Ring2][Ring1][#Branch1],CC1=CC(C)=CC(NC(=O)CC2=NC=3SC(C)=C(C)C=3C(=O)[NH1]2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58E40>,3.3994800000000023,0.7665408241106639,2.3068796571368715,1.5258244634164484
[C][=C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1],C=CCN1C(SCC(=O)NC(C)(C)C)=NN=C1C2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58EB0>,2.5329000000000006,0.6503287651598397,2.365367176819987,0.8862766489792113
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C],NS(=O)(=O)C1=CC=C(C(=O)OCC2=CC=CS2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58F20>,1.7525000000000002,0.8710357771362892,1.9018364616667522,2.4533424240146937
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][N][=O][C][=C][Ring1][O],COC1=CC=C(C)C=C1CCNC(=O)C2=CC=C(CNC(N)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE58F90>,2.14442,0.7201288233624187,1.860888379033785,1.7397557377783084
[C][C][=N][C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][=N][O][Ring2][Ring1][#Branch1],C1C2=NC(C=CC=CC1(NC(=O)C3=CN=C(N(C)C)N=C3C)N)O2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D040>,0.5067199999999997,0.7831320363638329,5.56497165720998,-1.6493114753908151
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N],CC(C)C(=O)NC1CC(=O)N(C2=CC=C(Cl)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D0B0>,2.2174999999999994,0.9228726831877174,2.4203875174024567,2.193975898536131
[C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][O][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring1][=Branch2][C][C][Ring2][Ring1][Branch1],C1CCCN(C(=O)CCOCC2=NC3=CC=CN=C3N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D120>,1.8771,0.8527038854734519,2.407232454179068,1.8562869731881912
[N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#Branch2],NC(=O)C1CC2=CC=CC=C2N1C(=O)CN3C=CC4=CC=C(F)C=C43,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D190>,2.2235999999999994,0.796170738955262,2.787206094744972,1.1936476000313379
[C][C][=C][N][N][=C][Branch1][=C][N][C][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][S][C][Ring1][S][=C][Ring2][Ring1][Ring1],CC1=CN2N=C(NCCCOC3CCCCC3)SC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D200>,3.855520000000003,0.8220492920180676,2.9209653390681005,1.1892811210222378
[O][=C][Branch2][Ring1][Branch1][C][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][Ring1][N][N][C][C][C][Ring1][Ring1],O=C(CNC1=NC(C2=CC=CC=C2Cl)=NO1)NC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D270>,2.0805,0.8817637594709937,2.262710127375243,2.146108669979726
[C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][Ring1][N],CC(OCC(F)(F)F)=CSC(C(=O)N1CCCC1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D2E0>,2.759470000000001,0.49479734315419116,3.410747586058454,-0.9367608702874981
[C][C][Branch1][Ring1][C][O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F],CC(CO)C(C)NC(=O)NC1=CC=CC(Cl)=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D350>,2.6175000000000006,0.790315213347845,2.9716448556037562,0.9799312111354688
[C][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],C1CC=2C=CSC=2C(=O)NC1S(=O)(=O)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D3C0>,2.2241,0.9250993343395736,3.1393370849342794,1.4861595867635886
[C][C][=N][O][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=N][Ring2][Ring1][C],C1C=NOC1C2CN(C(=O)C3=CC=C(Cl)C=C3)C2=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D430>,2.1639700000000004,0.9001386447365313,3.9203091423671266,0.5803840813155299
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O],CCN(CC)C(=O)COC1=CC2=CC(C)=CC=C2[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D4A0>,2.08372,0.9159717748339232,2.250065901599278,2.3297929725703383
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][C][C][Ring1][=C],COCCNC(=O)CN1C(=O)C(C)(N2CCCS2(=O)=O)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D510>,-1.224499999999997,0.6145223372354494,3.5606402742599617,-0.4880285880827149
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][S][Ring2][Ring1][Ring1],C1C=NC(C)=C1CNC2=CC(=O)C3=CC=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D580>,2.953400000000001,0.9157348988692379,3.2055392931748665,1.3731352011713227
[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][N],CC1=CC=C(NC(=O)NC2=C[NH1]C3=CC=CC=C23)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D5F0>,3.7025200000000007,0.5396324034956589,2.0303236204321706,0.6678383970461237
[C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O][S][Ring2][Ring1][Ring2],CC1=CN=C(NC(=O)CN2CCC3=CC(F)=CC=C3C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D660>,2.5874200000000007,0.9478011483197641,2.222785158893707,2.516220582705113
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1],CC(C)C1=CC=C(NC(=O)CN2N=NC3=CC=CC=C3C2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D6D0>,2.5536000000000003,0.8006259852080061,1.8793705867954476,2.1237593392445833
[C][O][C][C][=C][Branch1][Ring1][C][#N][N][=N][N][Ring1][#Branch1][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2],COCC1=C(C#N)N=NN1C2=CC=CC(C(=O)OC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D740>,1.07198,0.7732357552336029,2.517165520666161,1.3490132555018532
[C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][C][C][N][C][=Branch1][O][=N][N][=C][Ring1][Branch1][C][C][C][Ring1][Ring1],CC(C(=O)NC1=CC=CC(N)=C1)NCCN2C=NN=C2C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D7B0>,1.3544999999999996,0.6702868670768091,2.912884500697926,0.4385498346861194
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=C(CNS(=O)(=O)C2=C(C)C=CC=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D820>,2.7403400000000007,0.8838368756354352,1.8796430696771314,2.539541308500045
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CS(=O)(=O)N1CC(C(=O)NC2CCCCCC2)CC1C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D890>,2.987300000000001,0.8143582573759504,3.070493692521233,1.001297594358519
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][C][C][C][Ring1][Ring2],O=C(NC1=CC=CC(N2CCCCCC2)=C1)C3CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D900>,3.8056000000000028,0.9072390301151122,1.717835158786663,2.818359991788898
[C][C][O][C][=N][N][Branch1][Ring1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1],CCOC1=NN(CC)C=C1C(=O)N2CCC2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D970>,2.8889000000000014,0.8526273784082892,2.7262813731610613,1.536855518880385
[C][C][Branch1][C][C][C][C][=N][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=N][Ring2][Ring1][Branch1],CC(C)CC1=NC=C(OC(=O)C2CCN(C3=CN=CC=N3)CC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5D9E0>,2.2870999999999997,0.7717573128316695,2.5870762361766424,1.271710327981705
[C][C][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O],CC(SC1=NN=CN1C)C(=O)C2=CC=C(N3C=CN=N3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DA50>,1.7592999999999996,0.5272799376881814,2.9794484061280926,-0.3430487176871857
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O],CC1=CC=CC(C)=C1NC(=O)C2=CC=C(N3C=NN=N3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DAC0>,2.53144,0.8050820473150059,1.9405958846592846,2.084814351915745
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC=C(C(=O)NC(C)CC2=CC=C(F)C=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DB30>,3.2039000000000017,0.8898037500596038,2.104947411200884,2.344071339097135
[C][N][N][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][#C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2],CN1N=C(C2=CC=CC3=CC=CC=C23)C=C1C(O)C(C)(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DBA0>,3.0446000000000013,0.7807600221054645,2.8995217622801377,1.0042783482471846
[C][C][C][Branch1][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O],CCC(CC)N(C)C(=O)NCC1=CC=NC(N2C=CN=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DC10>,2.5973000000000006,0.8917313043123715,2.5909863844820435,1.8676701370798137
[C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2],COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N2CCOC3CCCCC32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DC80>,1.1261999999999996,0.8770302856070786,3.005174288710929,1.3799771393244642
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch2],CC1=CC(C)=C(CCC(=O)NC2=CC=CN=C2N3C=NC=N3)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DCF0>,3.1588600000000016,0.7771828258031319,2.3205628288093614,1.5653513002062982
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C],CCOC(=O)NC1=CC=C(NC(=O)NCCN2CCOCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DD60>,1.7086999999999997,0.7354238244817404,1.93184016184955,1.745278960559152
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][=C][Ring1][N],CCCN(CCC)C(=O)C=CC=C(C(=O)OC)C(C)=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DDD0>,2.8667000000000016,0.3897660665212582,2.954859191617853,-1.006028859011562
[C][C][C][=C][C][=C][N][Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][F],CC1C2=CC=CN2CCN1C(=O)C3=CC(N(C)C)=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DE40>,2.9102000000000015,0.8530603799884788,2.89290284676942,1.3723990531729742
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][P],COC(=O)NC1=NC2=C(S1)CN(CC(=O)NC3=CC=CN=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DEB0>,1.7132,0.873999614679928,2.37049634914052,1.9995017242591198
[C][C][C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][O][O][N][=Ring2][Ring1][Branch1],C1CCC=C1NC(=O)C=2OC=C(C=2C)C(=O)CC(C)(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DF20>,2.7293200000000017,0.8174558219576701,3.2984598147641524,0.7888192950241981
[C][C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2],CC(C)C(NC(=O)OC(C)(C)C)C(=O)NC=1C=NN(C(C)(C)C)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5DF90>,3.1259000000000015,0.88304578907377,2.8533884803684337,1.561840465000416
[C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][Ring1][O],CCOC(=O)CC1=NC2=CC(Cl)=C(C)C=C2[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55040>,2.63032,0.8547137687314255,2.246026647307005,2.0275421963501223
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(C(=O)OCC2=NN=NN2C3=CC=CC=C3F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE550B0>,2.167,0.6679424909434988,2.0086582220502187,1.3310542326672752
[C][N][N][=C][C][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1],CN1N=CC2=C(NCC3=CC=C(C(F)(F)F)C=C3)N=CN=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55120>,2.994200000000001,0.8079751615243275,2.211885391926211,1.8279904156954263
[C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N],CN(CCC1=CC=CC=N1)C(=O)C2=CC=C(CN3CCCC3=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55190>,2.518700000000001,0.8137870096825055,2.0922608515612566,1.9766741968512704
[O][=C][N][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][C][N][=C][Ring2][Ring1][#Branch1],O=CN1CC(C(=O)NC2=CC=C(N3CC(C)OC(C)C3)C=C2)CN=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55200>,1.3551999999999993,0.8370791291231661,3.888783271839846,0.2966123737759849
[C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][Ring1][#Branch1][=N][Ring1][#C],C1C(=O)NC(C)(C)C=NOC1C2=CC=C3C(=C2)CC(C)N3N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55270>,1.6533,0.7731298561052734,4.272700832195823,-0.40705155166945595
[O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N],O=C(C1=CC=C2C(=C1)CCC2)N3CCCN(C4=CC=CN=N4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE552E0>,2.3178,0.8512748645208358,2.183586216774417,2.072788105829762
[C][C][Branch1][Ring2][C][C][#N][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C],CC(CC#N)N1CCN(C(=O)C2=CC=C(Cl)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55350>,2.3999800000000002,0.8590191571468547,2.5013927674096976,1.7937030183245763
[C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][C][C][C][C][C][Ring1][=Branch1],CCN(C(=O)N1CCC(C(=O)N(C)C(C)C)CC1)C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE553C0>,3.339800000000001,0.789535621249793,2.437174062731277,1.5105040435176882
[C][C][C][N][C][Branch1][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][C][=O],CCCN1C(N)=C(NC(=O)C2=CC=C(C)C=C2)C(=O)[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55430>,1.08952,0.7847750452882114,2.071248741802142,1.8526264846389147
[C][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=N][C][=C][S][Ring1][Branch1],CCC(NC(=O)N1CCC(OCC2=CC=CN=C2)CC1C3)=NC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE554A0>,3.167300000000002,0.8955280550221337,4.480313136075596,-0.0026728609649273594
[O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S],O=C(C1=CC=C(F)C(F)=C1)N2CCC(NS(=O)(=O)C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55510>,2.547900000000001,0.8865542850515276,1.9469513018978013,2.4858201233598365
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][=C][=C][Ring2][Ring1][Ring2],COC1=CC=CC(N2C=CC=C(Cl)C(S(=O)(=O)N(C)C)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55580>,2.3565000000000005,0.8463304391617031,3.130581049494449,1.1010711463140668
[C][#C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C],C#CCNC(=O)NC1=CC=C(NC(=O)NC(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE555F0>,2.3613,0.6439400666729013,2.150936737841077,1.0687635955234294
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][N][N][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1][=C][Ring1][#C][N][=C][Ring2][Ring1][#Branch1],CC1=CC(C)=CC(N2N=CC(C(=O)N(C)CC=3C=CSC=3)=C2N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55660>,3.4050400000000014,0.7914713719537929,2.5005579475032214,1.456798912265743
[C][#C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][C][Ring2][Ring1][Branch1],C#CCN1CCN(C(=O)NC2CCCN(C3=CN=CC=N3)C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE556D0>,0.7518,0.8298200886681845,3.7867304610266075,0.3623699823143145
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][N][C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][N][=Ring2][Ring1][#Branch1],CC=1C=C(C)N(CCOC(=O)C=2C=C(C)N(C3=CC=CC=C3)N=2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55740>,2.8510600000000013,0.6771287917782222,2.2317165143972577,1.1539274444938532
[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=N[NH1]C(C)=C1NC(=O)CN(C)C(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE557B0>,2.12894,0.8077180700132341,2.120586408889153,1.9180039411770178
[C][N][N][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][C][=Ring1][P][Ring2][Ring1][Ring2],CN1N=CC=2C(=O)N(CSC3=CC=C(Cl)C(Cl)=C3)C=NC=21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55820>,3.186600000000002,0.6868274095051976,2.585051703874152,0.8490853436518364
[O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C],O=C(C1=CC=CN=C1)N2CC(C3=NC(C4=CC=CO4)=NO3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55890>,1.9642,0.7341822961435979,2.3635409052636795,1.3073705754543097
[C][N][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],CNC1=C(NC(=O)CC2=CC=C[NH1]2)C3=CC=CC=C3C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55900>,1.4578999999999995,0.7939892897951971,2.750531312739861,1.2194151362361243
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P][Ring2][Ring1][Ring2],CC(=O)N1CCC2=CC=C(NC(=O)C3=CC=CC=C3OC)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55970>,2.8565000000000014,0.9481043686608903,1.87086237652413,2.8696594667803215
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],O=C(NC1=CC=C(Cl)C=C1)NC2=CC=CC=C2C(=O)NC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE559E0>,3.8762000000000016,0.7963681920446026,1.6618088853998678,2.3200320748231453
[C][#C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][#N][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C],C#CCNC(=O)N1CCN(C(=O)NC2=CC=C(CC#N)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55A50>,1.2449799999999998,0.8197311505375434,2.353925111682326,1.7447306410053915
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][C][O],NC1=CC=C2C(=C1)OC(C3=CC=CC=C3)C(=O)N2CCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55AC0>,1.7277999999999996,0.8415965817465401,2.7439982298130676,1.4639846789196325
[C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1],CC1=CC=CC(C(C)C)=C1NC(=O)COC2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55B30>,3.530920000000002,0.9134301762008754,1.9234519646303454,2.6436989163740314
[C][N][N][=C][C][=C][Ring1][Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2],CN1N=CC=C1CN(C)S(=O)(=O)C2=CC=C3C(=C2)OCCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55BA0>,1.4021000000000001,0.8430941290507078,2.4723478203111107,1.7431228249424287
[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][S][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][S],O=C(NC1CC1)C2=CSC(C(=O)NC3=CC=C(F)C(F)=C3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55C10>,2.5658000000000003,0.9082539244764086,2.161132941045521,2.3801366813365226
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1],CC1=CC=CC=C1N(C)CC(=O)NC(C)C(=O)OC2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55C80>,2.4217200000000005,0.8184982571608286,2.674270968893193,1.4182203169109497
[C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][C][C][Ring1][=N],CN1C=CC=C1CNC(=O)N2CCCN(C3=NC(C)=NS3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55CF0>,1.6069199999999997,0.9259481921944199,2.6279845282185885,2.0017564327535116
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][=C][C][C][Ring2][Ring1][#Branch1],CCC1=CC2=CC=C1N(C(=O)C3CC(C4=CC=CC=C4)CCOCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55D60>,4.738600000000004,0.7882803672658292,3.9627620362515756,-0.021360199922429768
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1],CC(=O)N1CCC=C2C(C(=O)OCC3=NC(C)=NO3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55DD0>,1.42372,0.7849409407615636,3.308424846020504,0.6162798577873141
[C][C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring1][=C],CCC(=O)NCC1=CSC(NC(=O)C=2C=C(C)ON=2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55E40>,1.7180199999999999,0.8747154895603877,2.30492870747935,2.0686487403225886
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][S][Ring1][Branch2][NH1][N][=Ring1][S],CCOC(=O)C=1C=C(NC(=O)C2C=C(C(C)C)NS2)[NH1]N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55EB0>,1.6847999999999999,0.5655269004710562,4.089354118407232,-1.2617196160519506
[C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],CC(NC(=O)C1=CC2=CC=CC=C2CC1C)(O)NC3=CC=CC=C3C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55F20>,3.0281800000000008,0.7423134327035836,3.7312169801924657,-0.019649816674547793
[C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][C][=C][Ring2][Ring1][C],COCC1=CC=C(CN2CCC(O)(C(F)(F)F)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE55F90>,2.722200000000001,0.9281363727878461,2.3334101986815075,2.3072716652577228
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][Ring1][O],CCC(CC)(CC)NC(=O)CC1CCN(S(=O)(=O)CC)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B040>,2.523200000000001,0.7425425806917602,2.6229968904331713,1.0897160130256296
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][Ring1][=C][N][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(CNC2=NC=NC(NC3=CC(C)=CC=N3)=C2N)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B0B0>,3.126520000000001,0.635892488414623,2.1924646977151045,0.9869977443580105
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],NS(=O)(=O)CC1CCCCN1C(=O)C2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B120>,1.1089000000000004,0.9076657393894532,2.669992572604505,1.8683361243427612
[C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2],CCN1N=C(C)C=C1C(=O)NC2=NC3=C(S2)CC(C)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B190>,3.045020000000002,0.9478215037302768,2.9252486470229755,1.8138588716284083
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(CNC(=O)C2=CC3=CC(Cl)=CN=C3[NH1]2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B200>,3.1549000000000005,0.7768854742042025,2.119437642901042,1.7649897281199705
[C][C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][S][C][=Ring2][Ring1][Branch1][C],CC=1N=C(NC(=O)CCC2=NC(C3=CC=CC=N3)=NO2)SC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B270>,2.7762400000000014,0.773314226696789,2.3083691436032066,1.5582019898807382
[C][S][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][C][NH1][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#C],CS1(=O)NCCN(C2=CC=CC[NH1]2)CCC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B2E0>,-0.15600000000000014,0.5610472510335264,4.681370214478767,-1.8761339593111348
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Branch1][=C][N][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][Ring2][Ring1][C],CC1=CC=CC(=C1)S(=O)(=O)N=C(N(C)C2CCOCC2N)CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B350>,1.54022,0.6642446360400664,3.7875296421461133,-0.46630646194578107
[C][C][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][=N][Ring2][Ring1][C],CCCCN1C(=O)N(C)C2=CC(C(=O)NC(C)C)=CC(C)=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B3C0>,2.5867200000000006,0.9227505706913435,2.311470162923392,2.3022826905333256
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][O][C][C][O][C][Branch1][C][C][C][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][C][Ring1][#C][Ring1][S][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(COC2COC(C)C(CNS(C)(=O)=O)C=NC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B430>,1.2353000000000003,0.7802694145559388,3.911834081312062,-0.010487008532368058
[C][N][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][=Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(CCC(=O)NC1=CC=NC(C(C)C)=N1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B4A0>,3.0650000000000013,0.8901605543594684,2.2201506524721175,2.2306521193252244
[C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],CC(C)N(C)S(=O)(=O)N(C)CC1=CC=CC2=CN=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B510>,2.2516,0.8511198261572424,2.4133820819706315,1.8422170488155807
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][Branch1][C][C][=C][Ring1][S][N][=C][Ring2][Ring1][#Branch2],C1C=CC=C1C(=O)NC=CC=C(NC(=O)C2=CC=NN2C)C(C)=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B580>,2.1261,0.7871358629467234,3.5937593252299713,0.341919989503646
[C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][C][Ring2][Ring1][Ring2][=O],CNC(=O)C(=O)[NH1]C=C(C1=CC=C(S(=O)(=O)C(C)C)C=C1)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B5F0>,0.27069999999999994,0.45492099665297925,2.9233980327468476,-0.6487930494819514
[C][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][N][=Ring2][Ring1][C],CCC(C)C=1C=C(C(=O)OC2=CC=C(NC(C)=O)C=C2)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B660>,3.3657000000000012,0.6761747257051443,2.741875356227176,0.6389982722985454
[C][C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][C][C],CC(C)N(C(=O)COC1=CC=C(Cl)C2=CC=CN=C12)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B6D0>,3.9124000000000025,0.8384158426000273,2.2241748956482947,1.9679043173518416
[C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][C],CC(=O)NC1=NC(C)=C(C(=O)N(C)C2=CC=C(C)C(C)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B740>,3.3033600000000014,0.9444777433504478,2.235788024722611,2.4866006920296275
[C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Branch1][C][C][O][Ring1][P],CC1=CC(C(=O)NC2=CC(F)=CC(F)=C2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B7B0>,3.426940000000001,0.8880253116859284,2.012512129288618,2.4276144291410233
[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2],N#CC1=CC=C(NC2CC(O)C(C3=CC=C(F)C=C3)C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B820>,3.0057800000000015,0.9016466937018413,4.316854529443576,0.19137893906562997
[O][=C][Branch1][P][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1],O=C(C1=CSC(C2=CC=CS2)=N1)N(CC3=CC=CN=C3)C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B890>,4.071400000000002,0.7025660942979355,2.3607739865214796,1.152056484968198
[C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][Ring2][Ring1][C],C1C2CC2C(=O)NCCCC1C(=O)NC3=CC=CC=C3N(C)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B900>,3.0237000000000016,0.8637835625066487,3.8899149451427366,0.42900286739050664
[C][C][=N][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][#C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch1],C1C=NN(C2C=CC=C(C(O)C3=CC=CC=C3O)C2)C(C)(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B970>,3.540700000000002,0.8973119223842582,4.3002953564318265,0.18626425548946468
[C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],COC1=CC=C(Br)C=C1CN(C)C(=O)CC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5B9E0>,3.797900000000003,0.8058340437787833,1.8652724114112207,2.1638978074826962
[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][NH1][N][=C][Branch1][C][C][C][=Ring1][=Branch1][Br],CC1=CC=C(C#N)C=C1NC(=O)C=2[NH1]N=C(C)C=2Br,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BA50>,2.9130200000000004,0.8927572219309343,2.4892385884949313,1.9745475211597405
[C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C],COCC(C)NC(=O)N(C)CC1=C(C)C=C(C)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BAC0>,2.7881600000000013,0.8995585547124524,2.690447023059706,1.8073457505025559
[O][=C][Branch2][Ring1][Ring2][O][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][Branch1][C][F][=C][C][NH1][C][=N][C][Ring1][#Branch2][=Ring1][Branch1],O=C(OCC1=NC=C(C2=CC=CC=C2)O1)C3=CC(F)=CC=4[NH1]C=NC3=4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BB30>,3.714000000000002,0.5741445362606462,2.4569112994010887,0.4138113819021423
[O][=C][Branch1][S][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1],O=C(CN1N=C2C=CC=CN2C1=O)NCC3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BBA0>,0.20739999999999936,0.7417431532198658,2.1893323972291423,1.5193833688701868
[C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],CCOC(=O)C=1C=CSC=1NC(=O)C2=CC=CC(C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BC10>,3.485520000000002,0.8765913138992024,1.8629545316551734,2.5200020378408388
[C][C][O][C][=C][C][=C][C][Branch1][N][N][C][=C][N][=C][Ring1][Branch1][S][C][C][#N][=C][Ring1][#C],CCOC1=CC=CC(N2C=CN=C2SCC#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BC80>,2.886680000000001,0.7746639499664146,2.3064302188913235,1.5668895309407498
[N][C][=C][C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][C][=C][Ring1][=C][Br],N1C=CC(N2CCCS2(=O)=O)=CC=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BCF0>,1.2590000000000003,0.7399548549756858,3.8448902616610585,-0.1451159867826295
[C][C][N][Branch1][Branch2][C][C][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][C],CCN(CC(C)C#N)S(=O)(=O)C1=CC(N)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BD60>,1.4476799999999999,0.8015141441040946,2.8334255426533215,1.1741451778671514
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][=C][C][=C][Ring2][Ring1][#Branch1],CC1=CC=CC(OCC2=NC(C#N)=C(N3CCCCCC3)N2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BDD0>,3.5596000000000023,0.8626987720383411,2.523528456163932,1.7899654040277735
[C][C][=C][Branch1][C][Br][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring1][=C][C][C][#N],C1C=C(Br)C(C2=CC=CC=C2Cl)=NN1CC#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BE40>,3.1620800000000022,0.7871781600638181,3.2444108126097877,0.691479987709303
[C][#C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1],C#CC1=CC=CC(NC(=O)N2CCC(C(=O)N(CC)CC)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BEB0>,2.7802000000000016,0.8647034084584353,2.2552619658729114,2.0682550764192653
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][P],CC(C)NC(=O)NC1=CC=C(C(=O)N(CCC(C)C)C2CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BF20>,3.867200000000003,0.7965878169227278,2.067456709315463,1.915482375298176
[C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][#C][N][=Ring2][Ring1][Branch1],CC=1N=C(C)N(C2CCCN(C(=O)NC=3C=NN(C)C=3)C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE5BF90>,1.4974399999999999,0.91128953327374,3.0976497531681506,1.4587979132005495
[C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CCC1=NN(C)C=C1C(=O)N2CC(C)C3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54040>,2.7464000000000013,0.8404651580784614,3.0169567783987077,1.1853690119935996
[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],NC1=CC(C(F)(F)F)=CC=C1C(=O)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE540B0>,2.9349,0.8315193054700638,1.9999230681187115,2.1576734592316074
[C][C][=N][O][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][Ring2],CC1=NOC(CCC(=O)NC2CCSC3=CC=CC=C32)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54120>,2.663920000000001,0.9401876601808705,2.8436750646176066,1.8572632362867463
[C][O][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][C][Ring1][N][C][=N][C][=C][N][Ring1][Branch1][C],COCC(NC(=O)C1C=C(C2=NC=CC=C2)CCC1C3)=NC=CN3C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54190>,2.0688999999999997,0.914649254552193,4.653470275169379,-0.08022400240841421
[C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Branch1],CC1CN(C(=O)C2=CC(C)=NO2)CC(C3=CC=C(F)C=C3)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54200>,2.7243200000000014,0.855787510598555,3.0678036552849495,1.2111338977078256
[C][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C(CCNS(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54270>,1.9195200000000003,0.8602649555363914,1.7799573553914172,2.52136742229054
[C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][C][C],CC1=CC(OCC(=O)NCC(=O)C2=CC=CC=C2)=CC=C1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE542E0>,3.4963200000000025,0.792822139694016,1.9003375112230838,2.0637731872469964
[C][C][O][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][C][=Ring1][=Branch1][N][C][=N][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][C][=N][Ring1][O],CCOC(=O)C=1[NH1]C(C)=CC=1NC2=NC(C3CCCO3)=NC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54350>,2.2799199999999997,0.8154926746517953,3.3939218648722127,0.6835415083867638
[O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P],O=C(N1CCOCC1)N2CCC(C3=NN=CN3C4=CC=CC=C4)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE543C0>,1.8988999999999991,0.8368575463682582,2.410622545947952,1.7736651858933392
[C][N][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][Ring2][Ring1][Ring1][=O],CN1C=CC(C(=O)NC2=CC=C(S(N)(=O)=O)C=C2)=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54430>,0.28500000000000003,0.8481629203080849,1.9827132560596983,2.2581013454807266
[C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][O][C][C][Ring2][Ring1][Ring1],COC1=CC2=C(C=C1CNCC=3C(C)=NOC=3)CCCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE544A0>,2.7867200000000016,0.9190252071500953,2.7035716903102287,1.8915543454402481
[C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1],CC1=CC=CC(NCC2=N[NH1]C(C3=CC=CC=C3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54510>,3.392220000000001,0.759088970999298,2.0850260952610586,1.7104187597354312
[C][C][=N][C][Branch2][Ring1][S][C][=N][N][Branch1][C][C][C][=N][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][Ring1][P][=Ring1][N][=C][N][Ring2][Ring1][=Branch1][C],CC=NC(C=NN(C)C=NC(O)=CC(O)=C(C1CC1)C=CC)=CNC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54580>,3.2814000000000014,0.19650875006945265,4.829618430746778,-3.8470746803995146
[C][C][C][=C][C][=N][C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][#C][C],CCC=C1C=NC(SCC(=O)NC(C)C)=C(C)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE545F0>,2.7433000000000014,0.842500225012269,3.3978788077779107,0.8146223172834341
[C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CSC1=NC(C(C)C)=NC(C)=C1C(=O)NC2=NC3=CC=CC=C3[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54660>,3.7589200000000016,0.5574831287155455,2.5290934239670566,0.2583222196106707
[O][=C][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][=C][N][Ring1][#Branch2][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],O=C1C=C(C2CCC2)N=CN1C3CCN(C4=NC=CC=N4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE546D0>,2.1422999999999996,0.8687656649844047,2.6224828269347977,1.721345497987226
[C][C][N][C][Branch1][=Branch2][S][C][C][C][Branch1][C][N][=O][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=Ring1][O],CCNC(S1CCC(N)=O)=NC=2SC(C3=CC=CC=C3)=NC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54740>,2.656200000000001,0.7354576396524891,4.125485768765456,-0.44819757050301057
[C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N],CCCCNC(=O)C(C1)NCCC2=C(O)C=C(O)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE547B0>,1.0708999999999995,0.6210566075249002,2.9502158443327744,0.15506719329172647
[C][O][C][=C][C][=C][Branch1][P][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C],COC1=CC=C(CCC(=O)NC2=NC=CC=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54820>,2.969920000000001,0.9083686480981997,1.7128720706950809,2.828971169795918
[C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2][=C][Ring2][Ring1][Ring1],COC(=O)N(C)C1=CC=CC(NC(=O)C=2C=C(C3=CC=CS3)ON=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54890>,3.8580000000000023,0.7663204946035413,2.372552211257899,1.459050261759808
[C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][S][C][C][C][C][Ring1][=Branch1][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][#C][Ring1][=Branch1][C][C][C][Ring1][#Branch1],CC=C(C(=O)C1SCCCC1)SC2=NC3=C(C=C2)CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54900>,4.421000000000004,0.6067933282022407,3.883825379876119,-0.8498587388649153
[C][C][=N][C][Branch2][Ring1][Branch1][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][O][Ring1][O][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1],C1C=NC(C2SC(NC(=O)C3CC3)=NO2)=CC4=CC=CC=C14,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54970>,2.5411,0.912392036163308,3.9050833992599623,0.6568767815565772
[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][P][C][N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][C][Ring1][Branch2][=O][O][C][=Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1],COC(=O)CC1=C(CNC2=C(C#N)C(N)=NC2)OOC1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE549E0>,1.2447799999999998,0.5825687218729784,4.123105533355991,-1.2102619239910992
[C][C][S][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][Branch1][N][C][=C][N][Branch1][Ring1][C][#N][C][=N][Ring1][#Branch1][C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][N][C][Ring2][Ring1][Ring2][=O],CCSC=1N=C2N(N=1)C(C3=CN(C#N)C=N3)CC(C=4C=N[NH1]C=4)NC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54A50>,1.1030799999999998,0.6585940804848679,4.743727842152424,-1.4507574397280845
[C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][Cl][Branch1][C][C][C][Ring1][N],CCCCNC(=O)C1CCN(S(C)(=O)=O)C(Cl)(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54AC0>,1.5293,0.47558584355232386,3.5427636039055876,-1.1648343861439683
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],O=C(NCC1=CC=CC=C1)C2CCN(C3=CN=CC=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54B30>,2.0093999999999994,0.9374173625855989,1.901763120500366,2.785323692427629
[C][O][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C],COCCNC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54BA0>,1.4178999999999993,0.8344040018818819,2.061298639988884,2.110721369420526
[N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][=N][Ring2][Ring1][Ring1],NC1=CC(N)=NC(SCC(=O)C2=CC=C(O)C=C2O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54C10>,1.0272,0.3724800006979833,2.463119711475354,-0.6007197079854374
[C][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][Ring1][=N][Ring2][Ring1][=Branch1],C1CCC(N2CCCCC23)C=NC(C4=CC=C(F)C=C4)=NC31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54C80>,3.4323000000000023,0.7805131278599583,4.530672301418381,-0.6281066621185896
[C][C][C][=N][N][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][N][Ring2][Ring1][Ring1][C],CCC1=NN=C(CSC2=NC3=CC=CC=C3N2CCO)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54CF0>,2.0117999999999996,0.7044205704647171,2.413626653890052,1.1084761984335332
[O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][O][C][C][Ring1][=C],O=C(NC1=NC=CS1)C2(C3=CC=C(F)C=C3F)CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54D60>,3.108200000000002,0.9436864225392774,2.5376266538900545,2.180805458806333
[C][=C][C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],C=CCN(CC1=NC(C2=CC=CO2)=NO1)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54DD0>,3.5222000000000016,0.6469388713860492,2.4401193028143027,0.7945750541159433
[C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C2N=C(C(F)(F)F)N=C(NCC3=CC=CO3)[NH1]C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54E40>,3.751620000000001,0.8849520076283466,3.050177642796319,1.3745823953454135
[C][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CN1C(C(=O)NC2=CC=CC3=CN=CC=C23)=CC4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54EB0>,3.9788000000000023,0.608531239524439,2.0382020002987478,1.0044541973234473
[C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][=O][C][=C][Ring1][S][=N][O][Ring2][Ring1][Branch1],CC1=NC(C2=CC=C(NC(=O)NCCCC(N)=O)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54F20>,1.4320199999999998,0.6964731791941653,2.068727327410082,1.4136385685607444
[O][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1],O=C(CC1=CC=NC=C1)N(CC2=CC=CN=C2)CC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE54F90>,2.841100000000001,0.7023908174984923,2.157495429082431,1.3544586584100307
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1],CS(=O)(=O)N1C=C(C2=CC=CC=C2)N=C1NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53040>,2.562900000000001,0.7823331082686326,2.4451343461977455,1.4665311951454174
[C][C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring2][Ring1][Ring2],CC(C1)C(NC(=O)OC(C)(C)C)C(=O)NCC2CCOC2C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE530B0>,1.8308999999999997,0.774272560156059,4.364444126417526,-0.4930813256372306
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring1][S],CN(C)C(=O)C1=CC=NC(C2=CC=C(C(F)(F)F)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53120>,2.864200000000001,0.8555487218543516,2.1476282358167857,2.130115373454972
[C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1],CC=C1C=C(C(=O)CSC2=N[NH1]C(N)=N2)C(OC3=CC=CC=C3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53190>,2.8973000000000013,0.7854010900189019,3.060161232083664,0.8668442180108453
[C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],CC(=O)N(CCC(=O)NCC1=CC=CC(C)=N1)C2=CC=C(C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53200>,2.7578400000000007,0.8881130472218306,2.1336472701209015,2.3069179659882515
[O][=C][Branch2][Ring1][O][N][C][C][C][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][Ring1][S][C][C][=C][O][C][=Ring1][Branch1],O=C(NC1CCN(C2=CC=C3C(=C2)OCCO3)CC1)C=4C=COC=4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53270>,2.4496,0.9374993002358419,2.296990117099444,2.3905063840797656
[C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N],C1=CN(C2=CC=CC=C2)N=C1C=3N=C4C=CC=CN4C=3N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE532E0>,2.7691999999999997,0.6116116697052959,2.367674885940854,0.6903834625856256
[C][C][Branch1][C][C][C][=C][C][=C][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][O][N][Ring2][Ring1][C][Ring1][=C],CC(C)C1=CC=CC2C(C(=O)OC3CCCCC3)=C(O)N12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53350>,3.4258000000000015,0.8087361719431495,3.7019568608430546,0.341723998872693
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl],CCCN(CC1CC1)S(=O)(=O)C2=C(F)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE533C0>,3.2898000000000023,0.8085219116592157,2.309926771578816,1.7326827867172625
[O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N],O=C(NC1=CC=C2C(=C1)COC2)N3CCC(OC4=CC=CC=N4)C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53430>,2.7970000000000015,0.9423611365502111,2.8789581934359205,1.8328474893151352
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][C],CC(C)OC1=CC=CC(C(=O)OCC(=O)NCC(F)(F)F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE534A0>,1.7041,0.8074213258165948,2.3641958474084,1.6729107816745739
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],CCC(C)NC(=O)NCC(=O)OC1=CC=CC(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53510>,1.99812,0.6310951044988992,2.417168286633224,0.7383072358612717
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][=C][Ring1][=Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1],CC(C)(C)C1=CC(C(N)=O)=CN=C1NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53580>,2.6831000000000014,0.8969827372425483,2.3566805506361934,2.128233135576548
[O][=C][Branch2][Ring1][#Branch1][N][C][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][N][C][C][C][Ring1][Ring1],O=C(NCCNC1=CC=C(C(F)(F)F)C=N1)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE535F0>,1.9738999999999998,0.7257721275939277,2.1969060051816474,1.431954632787991
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2],CC1=NN(C)C(C)=C1CCNC(=O)C23CC4CC(CC(C4)C2)C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53660>,2.912040000000001,0.9284394453408303,3.615668418030806,1.026528808673346
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],COC(=O)CCC1CCCCN1C(=O)C2=CN(C)N=C2C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE536D0>,2.6655000000000006,0.7936509222658094,3.0051832121874833,0.9630713991415636
[C][#C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1],C#CCN(CC(=O)NC1CCCC1)S(=O)(=O)C2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53740>,1.4307999999999996,0.8043668260625254,2.5762934248650247,1.445540705447602
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][S][C],CCOC(=O)C1=C(C)C(S(=O)(=O)C2=CC=CC=C2)=C(C)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE537B0>,2.651440000000001,0.8121191702014261,2.254562470615701,1.8060333803914297
[C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],CCC(NC(=O)CCN1C=NC2=CC=CC=C2C1=O)C3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53820>,2.4491000000000005,0.7499610939632251,2.5895966147883094,1.160208855027816
[O][=C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][N][=C][N][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2],O=C(NC1CCC2=CC=CC=C21)C=3N=C4N=CC=CN4N=3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53890>,1.5415999999999999,0.772056842252673,2.866021629316789,0.9942625819465762
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][NH1][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][C][Ring1][=C][=C][Ring2][Ring1][Ring2],COC1=CC(OC)=C2[NH1]C(C(=O)NC3=NC=CC=N3)=NC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53900>,1.6223999999999996,0.7587054631665765,2.4922288516922517,1.3012984641406309
[C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][#C],COC(=O)C1CCCN(C(=O)CCN2C=CC=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53970>,0.6847999999999992,0.7511368066028992,2.6456058605977226,1.110078172416773
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][S][C][=N][C][Branch1][Branch1][C][C][O][C][=N][N][Ring1][=Branch2][C][C][O][C][C][O][Ring1][P],CC1=CC=CC(=C12)C(C3=NC(CCOC)=NN3CC)OCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE539E0>,2.2937200000000004,0.8466660802359388,3.3937183683687167,0.8396120328109777
[C][S][C][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring1][P][S][Ring2][Ring1][Ring2],CSC1=NC2=CC=C(NC(=O)C3=CC=NC(SC)=C3)C=C2S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53A50>,4.387400000000002,0.7095561649288252,2.3773387418021414,1.1704420828419848
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][N][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1],CNC(=O)C1=CC=C(OC)C(NCC(=O)NC2=CC(C)=CC=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53AC0>,2.72224,0.7547063604517419,1.876671303066276,1.8968604991924334
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][=C][Ring1][O],CCOC(=O)C(C)CNC(=O)NC1=CC=CC(C2=NN=CO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53B30>,2.0572999999999997,0.7895740625363297,2.7909126663783983,1.1569576463032503
[C][C][=N][N][Branch1][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1],C1C=NN(C)C1C(=O)N(C)C(C)C2=CC=C(C(C)(C)C)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53BA0>,3.501820000000003,0.8556195557261198,3.6481805518921053,0.6299172267384936
[C][C][C][Branch1][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][C][Ring1][#Branch2][=O],CCC(C)(CC)NC(=O)CSC=NN=C(C1=CC=CO1)OC=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53C10>,2.5706000000000007,0.32291477923678125,3.824667417204603,-2.210093521020697
[C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][NH1][N][Ring1][N][C][Ring1][S][=O][S][Ring2][Ring1][Ring2],CCC1=CC2=C(C=NC(C3=CC=C(C)C=C3)=C[NH1]NC2)OS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53C80>,3.6984200000000023,0.8173583284774611,4.431868976183039,-0.34507733379573313
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][#N][=C][Ring1][S],CC(=O)NC1=CC=CC(CC2=C(F)C=CC=C2C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53CF0>,3.2465800000000016,0.9285849188446449,2.0440597514353946,2.5988648427878296
[O][=C][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(CNC(=O)OCC(F)(F)F)NC1=CC=C(F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53D60>,2.0527,0.8351815642025981,1.9339081030837448,2.2419997179292457
[C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],CCC(NC(=O)C1CCN(C(C)=O)CC1)C2=CC=C(OC)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53DD0>,2.521000000000001,0.907354165787895,2.3271327477393466,2.2096380812001284
[C][C][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring1][P][O][C][Ring2][Ring1][=Branch1],CCNC1CN(C(=O)CC=CC2=NC(C3=CC=NC=C3)=NO2)COC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53E40>,1.3292999999999997,0.8454379707317536,3.599694876116021,0.6274949775427467
[N][#C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][=N][Ring2][Ring1][C],N#CC1=CC=NC(NCC23CC4CC(CC(C4)C2)C3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53EB0>,2.976580000000001,0.9151055567508756,3.939336583663734,0.6361912000906438
[C][C][C][=N][NH1][C][Branch2][Ring1][=Branch1][N][C][=C][C][Branch1][C][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][O][=N][Ring1][P],C1CC=N[NH1]C1NC2=CC(C)=NC(C3CCC3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53F20>,2.15972,0.8562974561517902,3.7991111004615696,0.48237618029738094
[C][=C][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][Branch2][C][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N],C=CC1CC(=O)NCCN1CC2=CN=C(N3CCOCC3)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE53F90>,0.18970000000000087,0.7995967835250504,3.312472005776085,0.6855119118491668
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][Ring1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][=N][O][Ring1][P],CC(C)NC(=O)C1=NC(C2CCN(CC3=CC=CC=N3)C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52040>,1.5922999999999996,0.9018340024663195,2.9097868998372487,1.5993831124943485
[C][C][=N][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][S][Ring2][Ring1][C],CC1=NC(C2CC(=O)N(C3=CC=C(Cl)C=C3)C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE520B0>,3.6254200000000028,0.846745719133156,2.7636263734182354,1.4701022222475446
[C][C][Branch2][Ring1][Branch2][C][=N][C][=C][Branch1][O][O][C][Branch1][C][C][C][Branch1][C][N][=O][N][=C][Ring1][O][C][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1],C1C(C=NC=C(OC(C)C(N)=O)N=CC=NN)=C1C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52120>,0.8721000000000001,0.2987405469318587,4.837378256338266,-3.343675521678973
[O][=C][Branch1][N][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(NCCCN1C=CC=N1)CCS(=O)(=O)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52190>,1.3924999999999996,0.5820687324339915,2.150341666464957,0.7600019957050002
[C][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring2][Ring1][Branch2],CC=CC=C(CN(C)C(=O)C1=CC(C)=CC=C1NC2=CC=CC=C2)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52200>,5.2401200000000046,0.7305702108631702,2.603089697715104,1.0497613566007469
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][Ring1][Branch1][N][=C][N][=C][Ring2][Ring1][Branch1][C],CNC(=O)C1=C(N=CN1CC(=O)NCCN2C=CC=C2)N=CN=CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52270>,0.6111000000000009,0.5416729065747111,3.4782183000986358,-0.7698537672250803
[C][C][C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2],CCCC(C)(CO)NC(=O)NC1=CC=C(C)C(C(N)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE522E0>,1.76652,0.6420622200343022,2.7897802078350455,0.42053089233646546
[C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=N][S][Ring2][Ring1][=Branch1],CC1=NC=C(C(=O)NCC2=CC=CC(OCC3CCCO3)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52350>,2.9393200000000013,0.8834021252043269,2.66545156949595,1.7515590565256849
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][Ring2],CC(=O)NC1=CC=CC(CNC(=O)NC2=CC=C(C)C(C)=C2O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE523C0>,3.2891400000000006,0.6495467791227109,2.010024412381627,1.237709483231927
[C][C][=N][C][Branch1][=N][S][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][=C][Branch1][Ring1][C][#N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C],CC1=NC(SCCCN2CCCC2=O)=C(C#N)C(C)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52430>,2.9831400000000015,0.6196186595276668,2.5955656363472883,0.5025276612910456
[C][C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][NH1][C][Ring2][Ring1][C][=Ring1][#C],CCC=CC1=CC(N2C(=O)NCCC3=CC=CC=N3)=C[NH1]C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE524A0>,2.3125999999999998,0.8764330969888228,4.448929175025647,-0.06676369008153316
[C][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][=N][C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][S][Ring1][S][C][=Ring2][Ring1][#Branch1],CCC=1CN(C(=O)CC2=NC(C3=CSC(C4=CC=CC=C4)=N3)=CS2)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52510>,4.612200000000003,0.6613233108000637,2.7957243130997202,0.5108922409005983
[O][=C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][C][N][Ring2][Ring1][Ring1],O=C1CN(C(=O)NC2CCC3=CC(Cl)=CC=C32)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52580>,1.4687000000000003,0.82354525514428,2.8050690687399467,1.312657206981453
[C][C][C][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O],CCCN(CCOC1=CC=CC=C1)CC(O)C(C)(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE525F0>,1.9091999999999998,0.725813514089517,2.6972493558212864,0.9318182146262988
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][N][=N][Ring1][#C],O=C(NCC1=CC=CC=C1)C=NC=C2C=C(N3CCOCC3)C=CC2=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52660>,2.06317,0.7981784032975032,3.2155104611235803,0.7753815553639356
[C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C],C1=CC=C(C2=CSC(NCC3CCCO3)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE526D0>,3.4010000000000016,0.9145085697819623,2.4215595225523003,2.150983326357511
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C],CC(C)(C)C(=O)N1CCC(OC(=O)CC2CCCC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52740>,3.147000000000002,0.7514342000978141,2.3207958750740794,1.4363751254149912
[C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C2[NH1]C(=O)C(C3=NC(C4=CC=CC=N4)=NO3)=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE527B0>,2.6487000000000007,0.6234494007279108,2.296914562231777,0.8203324414077771
[C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN1N=C(C)C=C1C(=O)NC=NC(C(C)(C)C)=NNC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52820>,3.4412200000000013,0.4899853668585216,3.1405794894636596,-0.6906526551710517
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],N#CC1=CC=CC=C1NC(=O)C2=CC=CC=C2C(=O)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52890>,4.180680000000002,0.7218871613725099,1.8334303210644904,1.7760054857980587
[C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=N][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C],CC1=CC=CC=2C(=O)N(CC(=O)NC3CCCCCC3)C=NC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52900>,2.543920000000001,0.8857545261205261,2.0530418708759317,2.3757307597266983
[C][C][C][C][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O],CC1CC1CNC(=O)C2=CC=C(N3C=CN=C3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52970>,2.2580999999999998,0.9105435794080012,2.820878373136356,1.7318395239036501
[C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Ring2][Ring1][Ring2],CC1=NN=C2N1CCN(C(=O)C3=CC=C(C4=CC=CC=C4)N=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE529E0>,2.30452,0.726915641703506,2.2334180787152924,1.4011601298022374
[C][C][O][C][=C][Branch1][C][C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P][C],CCOC1=C(C)C=C(S(=O)(=O)NC2=CC=CN=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52A50>,2.897940000000001,0.9219522968566575,2.0665255832968903,2.5432359009863967
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1],CNC(=O)C1=CC=C(N2CCC(NC(=O)C=3C=C(C)ON=3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52AC0>,1.7414199999999993,0.8836522640622264,2.1236120162416476,2.294649304069484
[C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][Branch1][C][C][C],COC1=CC(CO)=C2C=C1OC(C)(C)C(=O)N2CC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52B30>,2.3475,0.9254748742574286,3.425081566527526,1.202292804759617
[C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=O][=C][S][C][=Ring1][Branch1][C][=N][Ring2][Ring1][Branch1],CC1=NC(C(=O)N2CCC(C)(O)C(C)(C)C2=O)=CSCC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52BA0>,1.5999,0.7431240964949515,4.584329687558528,-0.8687092050837704
[C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][C][=Ring1][O][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch1],C1=CC=C(OCC=2N=C(C3=CC=CC=N3)[NH1]C=2C4CC4)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52C10>,3.323100000000001,0.7831806392879105,2.610277203340603,1.3056259930989493
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][Ring1][O],CC(C)(C)OC(=O)CC1C=CC2=CC3=CC=CC=C3C(=O)N12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52C80>,3.3012000000000015,0.799077743621515,3.3083600977151946,0.6870286203923803
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Ring1][N][=C][Ring1][#C][=N][Ring2][Ring1][=Branch1],CC1=CC=CC(CN2N=C3C(C4=CC=CC=C4)=NC=CC3=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52CF0>,3.8500200000000024,0.5769862203120764,2.3485214471819766,0.5364096543784052
[C][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl],CCCN(CCO)C(=O)NC1=CC(F)=C(F)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52D60>,2.854400000000001,0.8200449921873387,2.1928534684113963,1.9073714925252974
[C][O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][Branch2][C],COCCN1C=NC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52DD0>,-0.0754999999999999,0.5700054911331283,2.2860788947995214,0.5639485608661197
[O][=C][Branch2][Ring1][Ring2][C][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CC1=CSC(NC2=CC=CC=N2)=N1)NCC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52E40>,2.5356000000000005,0.727854630162812,2.1976859268199895,1.4415872239940706
[C][C][=N][C][Branch2][Ring1][N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring2][Ring1][Branch2],CC1=NC(CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=NC=C4)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52EB0>,2.7644200000000003,0.4125613221713323,2.3330128800122587,-0.2702062691555973
[C][=C][Branch1][C][C][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][C][Ring1][=C],C=C(C)CN1CCN(C(=O)C2=CC(Cl)=C[NH1]2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52F20>,2.0020000000000002,0.851207861396558,2.4084203490688374,1.8476189579139524
[C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][C][Ring2][Ring1][C],CC1CCN(C(=O)CSC2=NC=CC=C2Cl)C(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE52F90>,3.4741000000000017,0.8011809849643766,3.038703046576126,0.9672018782457572
[N][#C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][#Branch1],N#CC1=CC=C(S(=O)(=O)NCC2C=C[NH1]C3=C(F)C=C(F)C=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51040>,2.8377800000000004,0.8773451472118367,3.392207713689408,0.9945180223697756
[C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring1][P],CC(C)NS(=O)(=O)C1=CC=C(NC(=O)CC=2C(C)=NOC=2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE510B0>,2.1593400000000003,0.830306552711695,2.1001932773627985,2.051339486195676
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],N#CC1=CC=CC=C1CN2C(CO)=NC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51120>,2.4485800000000006,0.7891330425168321,2.0437640712535075,1.9019011413306535
[C][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(C(C(=O)NCCC(=O)N2CCCC2)NC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51190>,1.3915999999999997,0.778150415341404,3.6880333445975086,0.2027187321095112
[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C],COC1=CC(C)=CC=C1OCC(=O)NCC(=O)NC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51200>,1.4133199999999995,0.8329469614293412,1.8980944132493374,2.2666403938973687
[N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],NC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51270>,2.043799999999999,0.789326398769725,2.095177048453511,1.8514549453951137
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][C][C][=C][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][NH1][Ring1][O][=C][Ring2][Ring1][Ring2],C1OC=CC=C(OC)C1C2=NC(C)=C(CCO)C(=O)[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE512E0>,0.7709199999999998,0.8495555362728574,3.972430404772335,0.275347276591952
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][#C],CC(C)CNC(=O)CN1CCN(C(=O)C2=CC=C(O)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51350>,0.9221999999999999,0.8464633769854605,1.856135926819988,2.376180958107314
[C][O][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=N][Ring1][P],COC(C)(C)C1=NOC(C2=CC=CC(N3CCCC3=O)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE513C0>,2.7449000000000012,0.8682272048319759,2.5609558633902303,1.7801801607696497
[O][=C][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O],O=CN1CC(C2=CC=C(F)C=C2)CC13CCN(C4=NC=CC=N4)C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51430>,2.2104999999999997,0.8116495377076918,4.078210139686053,-0.01996245114759443
[C][C][Branch1][C][C][Branch1][C][C][C][=C][N][N][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][Branch1][C][F][F][NH1][Ring1][S][C][C][O][Ring2][Ring1][Branch1],C1C(C)(C)C=CNN=C1C2=CC(OC)=CC=C2OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE514A0>,3.5339000000000027,0.9239178074604278,3.175184734490525,1.4444043028116145
[C][#C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2],C#CCN1CCN(C(=O)NCC(C)(O)C2=CC=C(F)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51510>,0.9935999999999999,0.8140886785149536,2.9012094304316545,1.1692339621431138
[C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][N][=C][Ring1][O][=C][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1],CC=1C=C(C2)SC(C(=O)NC3=CC=C(N4C=CC=N4)N=C3)=CN2C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51580>,2.8973000000000004,0.9329403390752194,4.614807941883855,0.0498937534922419
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N],CCN(CC)C(=O)CCC(=O)NC1CCN(S(=O)(=O)C2CC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE515F0>,0.7078000000000004,0.6913361905169255,2.416844164936764,1.0398367876478636
[C][C][=C][C][O][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][C],CC1=CC=2OC=C(CC(=O)NCCNC3=NC=CC=N3)C=2C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51660>,2.6104400000000005,0.6813762013700193,2.3643438407793163,1.0425371660707805
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][O][Ring2][Ring1][Branch1],CC1=NC(C)=C(C(=O)NCC=2C=C(C3=CC=CC=C3)ON=2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE516D0>,2.8764400000000014,0.800446570599368,2.358556324219725,1.6436765287771147
[C][C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][C][N][=C][S][C][Branch1][C][C][=C][C][Ring1][#Branch2][=Ring1][=Branch1][=N][O][Ring2][Ring1][Ring2],CCC1=CC(C(=O)N(C)CC2=C(C)N=C3SC(C)=CC23)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51740>,3.2619000000000016,0.8549952943773396,4.0877691771603395,0.1872072947263579
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][Ring1][S],COC(=O)C(C1)NC(CO)=NC2=CC(C(=O)OC)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE517B0>,0.18279999999999985,0.7715109716724499,3.2989774605822966,0.5585773977799526
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1],COC1=C(Cl)C=CC=C1NC(=O)C2CCCN2C(=O)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51820>,2.6881000000000004,0.9268628288791312,2.4468274369333525,2.1874867074623037
[C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring1][=C][C][C][C][Ring2][Ring1][=Branch1],CCC1C(NC(=O)N2CCN(CCN3CCCC3=O)CC2)CCC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51890>,1.5146999999999997,0.8279915499301286,3.092658889120254,1.0472988605303888
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][C],C1C(=O)NC=CC=C(F)C1C(=O)NC=2SC(C)=C(C)C=2C=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51900>,3.4496400000000023,0.8959778634957168,3.8904464281061157,0.5894428893724681
[O][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][NH1][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][=Branch1],O=C(C1=CC(C(F)(F)F)=N[NH1]1)CCCCCC2OCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51970>,4.130800000000003,0.6072764009913224,3.1668760558976787,-0.13049405094106659
[C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1],COC=C1C(NC(=O)C2=CC=C(F)C=C2)=C3C=NN(C)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE519E0>,0.21840000000000015,0.8244980851927177,3.090439486219015,1.0320509397445736
[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][#Branch2],COC(=O)CC1=CC=CC=C1NC(=O)CC2CCNC(=O)C(C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51A50>,2.2831,0.8012761582032595,3.0428828635906804,0.9634979274256175
[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][#Branch2],CC=1OC(C2=CC=CC=C2)=NC=1C(=O)N3CCCN(C(N)=O)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51AC0>,1.8766199999999995,0.9106480068584253,2.146389591320336,2.4068504429717903
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][Branch1],CNC(=O)C1=CC=C(CNC(=O)C2=CC=CC=C2OC3CCC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51B30>,2.9075000000000015,0.850911259795954,1.8529645622871502,2.4015917366926196
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][C][O][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1],CC(=O)C1=CC=C(OC(=O)C2=CC(C)=C3C(=C2)OCCCO3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51BA0>,3.578120000000003,0.4900074925226681,2.1737276003701087,0.27630986224323184
[C][C][Branch1][=C][N][C][C][C][Branch1][C][C][O][C][C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CC(NC1CC(C)OCC1C)(O)NC2CCCC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51C10>,2.7227000000000006,0.7473212499902276,4.202964344510949,-0.46635809455981114
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],CCOC1=CC=C(NC(=O)CC2CC(C)=NC3=NC=NN32)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51C80>,2.742800000000001,0.9199225980167087,3.0589624243127727,1.540650565770771
[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2],CCC(C)C(=O)NCC1=CC=C(S(C)(=O)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51CF0>,1.7524000000000002,0.8854721329963328,2.2264540738343506,2.200906591147313
[C][C][Branch1][C][C][C][N][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][=O],CC(C)CN1CC(C(=O)NC2=CC=C3N=C(C)OC3=C2)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51D60>,2.5792200000000003,0.9406506025727791,2.786210632354731,1.917042380509165
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring1],CC1=CC=CC(C(=O)NC2=CC=C(S(N)(=O)=O)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51DD0>,1.28972,0.8890100415470591,1.8109306205662623,2.6341195871690335
[N][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][C][=N][C][=C][Ring1][=Branch2][Ring1][Branch1][=C][Ring2][Ring1][Ring2],N#CC=CC1=C(Cl)C1NC(=O)C2=CC=CN3C=NC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51E40>,2.01898,0.8767293340564534,3.897326558618488,0.48632011166377875
[C][C][Branch1][C][C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Ring2][Ring1][Branch1],C1C(C)CC(C)OC2=CC=C(NC(=O)C3CCCO3)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51EB0>,3.1537000000000015,0.9094846703930706,3.2611982238093473,1.2862251281560058
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O],O=C(CCCC1=CC=CC=N1)NC2(C3=CC=CC=C3)CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51F20>,3.990000000000003,0.8764437375042604,2.191929591978358,2.190289095542944
[C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Ring1][P],C1C(=O)N2CCC(CC2)CC(=O)C1(O)C3=CC(Cl)=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE51F90>,2.7825000000000015,0.8538576482244309,4.5213087394822065,-0.2520204983600518
[C][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][=O],CCNC(=O)OC1=CC(C(=O)OCCNC2=NC=CC=N2)=CC=C1C=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50040>,1.6663,0.41533022377265,2.478163377197548,-0.40151225833429827
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1],CCNC(=O)C1=CC=C(CNC(=O)C2=CC3=CC=CC=C3O2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE500B0>,3.1125000000000016,0.7579769660648258,1.8369378207124267,1.952947009611702
[C][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1],CCN1C(=O)OC2=CC(N(C)C3=CC=C(F)C=C3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50120>,3.5214000000000025,0.7390939396993923,2.246163568280931,1.4493061302160308
[C][C][O][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N],CC=1OC=2N=CN(C)C(=O)C=2C=1C(=O)NC3=CC=CC(F)=C3C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50190>,2.098,0.7768968266093469,2.571227908885122,1.3132562241616124
[O][=C][Branch1][#Branch2][C][C][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2],O=C(CCC1=CC=CO1)N2CCC=3SC=CC=3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50200>,2.858600000000001,0.8509283738083248,2.2938461952226845,1.9607956738189394
[O][=C][Branch1][=C][N][C][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][N][C][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Ring1][O],O=C(NCC=1C=CC(=O)[NH1]C=1)N2CCSC3=NC=NC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50270>,0.9823999999999999,0.8058953648506981,2.940722155263682,1.088754668989809
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(C2=NN=C(NC(=O)C3=CC=CN=C3)S2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE502E0>,3.160820000000001,0.8058210295708388,1.9138733808357014,2.115231767018493
[C][O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Branch1],COC1=CC=NC(NC(=O)CCN2N=NC(C3=CC=CS3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50350>,1.8339999999999994,0.7407750338144334,2.4203579130427197,1.2835172560294472
[C][C][=C][N][=C][Branch2][Ring1][=N][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring2][Ring1][Branch2],C1C=CN=CC(C)CNC(=O)NCC2=CC=C3N=CC=NC3=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE503C0>,2.042,0.7756286177790691,4.4419369678067575,-0.5637938789114121
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][Branch1][C][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Ring2],CCOC=CC=C(C(C)NC(=O)C1=CC=C(C)N(C)C1=O)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50430>,2.3085200000000006,0.647852973775608,3.446093703203899,-0.20682883432585886
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],CCCCNC(=O)CNC(=O)C1=CC(=O)[NH1]C2=CC=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE504A0>,1.1741999999999997,0.6995564350719471,1.9463585929187666,1.551423582440969
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][C][Ring1][#Branch2][=O],COC1=CC=CC=C1NC(=O)CN2N=C(C(F)(F)F)N(C)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50510>,1.2478999999999998,0.9150574083870314,2.2544752568448025,2.3208117850903545
[C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=C][Ring1][=Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1],CC=1N=C(NC(=O)C2=CSC(C)=C2C)SC3=CC=CC=C3N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50580>,4.306540000000003,0.8475067505288632,2.9989811735639282,1.2385525790803875
[C][C][Branch1][C][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring1][#C],CC(C)(C#N)NC(=O)CCNC(=O)CC1=CC=CC=C1CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE505F0>,1.7161799999999994,0.8041702199239289,2.3121233571867563,1.7087277424328882
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1],CN(C(=O)CNC1=CC=C(C#N)C(Cl)=C1)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50660>,2.2443799999999996,0.9064456852318677,2.253166760371821,2.279061665787518
[O][=C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1],O=C(CSC1=NC2=CC=CC=C2O1)NC3=CC=C4C(=C3)COC4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE506D0>,3.5888000000000018,0.7423595023044092,2.272049953969308,1.4397475575527379
[O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(NC1=CC=C2N=C(C3=CC=CO3)[NH1]C2=C1)C4=CC=CC=C4F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50740>,4.214300000000001,0.5934537138120389,2.0596706061878205,0.9075979628723743
[C][C][=N][NH1][C][Branch1][C][N][=C][Ring1][=Branch1][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][O][=N][Ring1][Branch2],CC1=N[NH1]C(N)=C1C(C2=C(F)C3=CC=C2Cl)C(O)=N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE507B0>,2.826320000000001,0.750416429775167,4.665533515061633,-0.9134513661857984
[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][P],CCOC(=O)C1CCCN(C(=O)CC2=CC=C(O)C(Cl)=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50820>,2.3898,0.863143926839443,2.499034246517212,1.8166853876800033
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(NC(=O)CCSC2=CC=CC=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50890>,4.149200000000003,0.6429020338518249,1.8097104539609514,1.4047997152981728
[C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#Branch2],CCNC(=O)CN(CC)C(=O)CC1SC2=CC=C(F)C=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50900>,2.2172,0.8727620688770314,3.10352100565971,1.260289338725448
[O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][=O],O=C(C1CCOCC1)NC2CCCN(C3=CC=CC=C3F)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50970>,1.8638999999999997,0.9247354433416157,2.661179207529555,1.9624980091785238
[C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CC(O)C(=O)NCC(CO)OC1=CC=C(Br)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE509E0>,0.6857999999999997,0.7208935759121174,3.04575286188319,0.5587150176773972
[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring1][#Branch2][C],CC1=C(Cl)C=CC=C1NC(=O)NC2C3=CC=CC=C3COC2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50A50>,4.429920000000003,0.8554241799296683,3.0228087292128922,1.2543121704354494
[C][C][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C],CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N2CCOCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50AC0>,1.8274,0.9198864467668901,2.773775795992268,1.8256564378421825
[C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CC(NC(=O)C1=CC=C(N2C=CN=N2)C=C1)C3=NC4=CC=CC=C4[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50B30>,2.6346000000000007,0.6011422543569919,2.723618374535411,0.28209289724954845
[C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N],CC(C)N(C)C(=O)CSC1=NN=C(C2=CC=C(Cl)C=C2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50BA0>,3.348900000000002,0.7889233227077188,2.1941680236151946,1.7504485899233995
[C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][C][#N][=C][Ring2][Ring1][Ring1][C],CC1=CC(S(N)(=O)=O)=C(C)C(S(=O)(=O)CC(C)C#N)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50C10>,1.1926400000000001,0.8892990255828961,3.3618546739349817,1.0846404539794987
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][C][Branch1][C][N][=C][Ring1][N],CC(C)(C)CC(=O)NCC1=CC(N2C=CC=N2)=NC(N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50C80>,1.9019,0.8989745751271363,2.549336193376467,1.9455366822592142
[O][=C][Branch2][Ring1][Ring2][N][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],O=C(NCCNC1=NC=NC2=C1C=NN2CC3)CC4=CC=CC=C4O3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50CF0>,0.9894999999999996,0.6347924524413258,4.900675928717623,-1.7267136665109946
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][Branch2][=Branch1][C][=O][=O][C][=Branch1][C][=O][NH1][C][=C][Ring2][Ring1][Ring2],COC=CC=C(NC(=O)CC(C)(C)CS(=O)=O)O[NH1]C=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50D60>,0.7964999999999999,0.2386637806552112,4.583085103948653,-3.3897662006725966
[N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],NC(=O)C1CC2=CC=CC=C2N1C(=O)COC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50DD0>,2.161999999999999,0.9333180366616093,2.4920061575026597,2.1745840258053866
[C][C][C][C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][NH1][Ring1][P],CCCCCC1=NN=C(NC(=O)NCCN2CCOCC2)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50E40>,0.9911000000000003,0.6224569187318726,2.692540664879065,0.419743928780298
[C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1],CC(CNC(=O)C1=CN(C)N=C1C(C)(C)C)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50EB0>,1.1681000000000006,0.9069021029935361,2.9713664281061156,1.5631440868615654
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Branch1][O],COC1=CC=C(CC(C#N)C(=O)NC2=CC=CC=C2OC)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50F20>,2.7303800000000016,0.851400643508455,2.5476722698577117,1.7093309476845633
[C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][=C],CCOC(=O)CSC1=NC(C)=CC(NC2=CC=CC=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE50F90>,2.5788200000000003,0.49903470735349975,2.275446697355246,0.21972683941225268
[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][C],O=C(NCC1=CC=CN=C1)N2CCN(CC3=CC4=CC=CC=C4[NH1]C3=O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8040>,1.9505,0.7282210675006571,2.1729259311542197,1.4681794063490656
[C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F][=N][Ring1][P],CCOC(=O)CC1=CSC(NC(=O)C2=CC=CC(OC)=C2F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D80B0>,2.6487000000000007,0.819473117983382,2.141539772973834,1.9558258169430758
[O][=C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1],O=C1CC(C(=O)NCC2=CC=C(Cl)C=C2)C3=CC=CC=C3N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8120>,3.082200000000001,0.9143850385999716,2.4172308237105113,2.1546943692893468
[C][C][C][C][Ring1][Ring1][C][=N][C][Branch2][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][#N][=N][O][Ring2][Ring1][Ring2],CC1CC12C=NC(CCCC(=O)NC3=C(C)C=CC=C3C#N)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8190>,3.1812000000000014,0.9071734677908678,4.590071101116526,-0.05420376216218692
[C][C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][Ring1][C][O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O][C][N][S][Ring2][Ring1][Branch1],CC1C=C(NC(CO)C2=CC(S(C)(=O)=O)=CC=C2O)CNS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8200>,0.9424999999999999,0.5901823230486066,4.239629709875521,-1.2887180946324879
[C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],CC(C1=CC=CS1)C(C)NC(=O)CC2=C[NH1]C3=CC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8270>,4.080300000000003,0.732339676292606,3.0573308087766193,0.6043675726864106
[C][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][N][Branch1][C][C][C][C][N][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2],CC=1C=NN(CC2CC2)C=1CN(C)CC3N=C4N=CC=NC4=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D82E0>,0.10241999999999996,0.7585669493674215,3.711985227519288,0.08084951931781958
[C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1],CCC(C(=O)NCC(=O)NC=1C=N[NH1]C=1)C2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8350>,1.7196999999999993,0.757327152848714,2.9905880970800265,0.7960476671635437
[O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1],O=C(NCC1=CC=CC=C1Br)CC2=NN=C3N2CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D83C0>,1.8457,0.9276314917518975,2.3187701720492626,2.319387286710225
[C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2],CCC(NC(=O)NC1=C(C)C=C(C)C=C1C)C2=NC(C3CC3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8430>,4.1450600000000035,0.8639738404702595,2.9376785322520345,1.3821906700992628
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][Ring1][#Branch2][C][C][Branch1][C][F][F],CC(=O)NCCN(CC1=NC2=C(C=C1C#N)CCCC2C)C(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D84A0>,2.5537800000000006,0.8107655176850135,3.6231344763079782,0.4306931121170887
[C][C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][Ring2],CC(C)N(C(=O)CN(C)C(=O)C1=CC=C(F)C=C1)C2CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8510>,2.6872000000000007,0.8389649220019039,2.165886069051165,2.028938540958354
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][N][C][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(CC=NC2=C(C3=CC=CC=C3)C(C)=NN2CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8580>,4.8312200000000045,0.7147708192543323,3.2843645765652694,0.28948951970639225
[N][#C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Cl],N#CC1=CN=C(NC(=O)C2CC2C3=CC=CN=C3)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D85F0>,2.7438800000000008,0.9447012773136748,3.22288305004401,1.500623336524364
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(CC(=O)NC2=CC=CC(NC(=O)C3CC3)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8660>,3.2249000000000017,0.8570916206013877,1.6422429849854936,2.6432151180214447
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C],CC(C)CC(=O)NC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D86D0>,1.6920999999999995,0.8932797039835378,1.8784058288134915,2.5879926911041977
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],CNC(=O)C(C)CN(C)C(=O)C1=CC=C(C2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8740>,2.8077000000000014,0.9229738725418094,2.3460781804316557,2.2687911822773916
[C][C][O][C][N][=C][N][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch1][C][=Ring2][Ring1][#Branch1][C],C=1C=2OCN=CN(CCC(=O)NCC3=CC=CC=C3)C(=O)C=2C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D87B0>,1.7514999999999996,0.8964148344058629,3.1903572187057385,1.2917169533235757
[C][O][C][=Branch1][C][=O][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],COC(=O)C(N1N=NC2=CC=CC=C21)NC3=CC=C(C)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8820>,2.5234199999999998,0.7492011585000092,2.787778076457764,0.9582277160422823
[N][#C][C][=C][N][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2][N],N#CC=C1N=CC(NC2CCN(CC3=CC=CC=C3F)C2=O)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8890>,1.17838,0.8127810833516415,3.7413227527374318,0.32258266402077584
[C][O][C][=C][C][=C][Branch1][=N][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S],COC1=CC=C(C=NN2C=CC=NC2)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8900>,1.8953,0.7609795749989431,3.1284151301339262,0.6764827448607891
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][N][Ring1][Branch2][C][C][=C][Ring2][Ring1][C],CCC(=O)C1=CC=C(OC(=O)C2=CC(C(N)=O)=CN2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8970>,1.9359000000000002,0.518669012453731,2.2354848956482947,0.35786016662036024
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Cl],CC(=O)NC1=CC=C(C)C=C1NS(=O)(=O)C2=CC(N)=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D89E0>,2.98982,0.7351715229609442,2.068394115405596,1.6074634993991253
[C][S][C][=N][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][S],CSC1=NSC(NC(=O)C2=CC(C)=CC(C)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8A50>,3.1291400000000014,0.8770211487262745,2.3256341952226833,2.0594715484086894
[C][O][C][C][Branch1][C][C][N][C][=N][C][=N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][O][C][Ring1][S][=Ring1][N],COCC(C)NC1=NC=NC=2C(C3=CC=C(C)C=C3)=NOC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8AC0>,3.040020000000002,0.7801903394715939,2.903226428106116,0.9977252692518537
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][=C][Ring2][Ring1][Ring1],COC1=CC=C(F)C(NC(=O)C2=CC(OC)=CC=C2O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8B30>,2.8008000000000006,0.9086113725670067,1.7398303578327,2.8032265050023337
[C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C],CCNC(=O)C1=C(C)N=C(C)N=C1SC2=CC=CN=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8BA0>,2.6977600000000015,0.8795202386105594,2.587181551466651,1.8104196415861455
[C][C][Branch2][Ring1][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1],CC(NC(C)C1=CC=C(F)C=C1F)C(=O)N2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8C10>,2.6263000000000005,0.9204422995498915,2.7741564138144668,1.8280550839349914
[C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],CC=1N=C(C2=CC=C(Cl)C=C2)SC=1C(=O)NC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8C80>,3.6641200000000023,0.9377825507244458,1.9129081597799598,2.776004593842269
[C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][S][Ring2][Ring1][=Branch1],CCC1=NC(C)=C(C(=O)N(C)CC(=O)NC2=C(C)C=CC=C2)CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8CF0>,3.2212200000000024,0.8911350998799903,2.733248887906102,1.7224266114938498
[C][=C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=N][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1],C=CC1N(C2=CC=C(NCC(=O)N(C)C)C=C2)CC(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8D60>,2.5875000000000004,0.8455789103804209,3.3620990447389705,0.865795507163134
[C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=O],CNC(=O)C(O)(CC(=O)C1=CC=CC=C1OC)C=NN(C)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8DD0>,-0.18090000000000073,0.2987432950965038,3.6323698910395947,-2.1386534155570756
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][N][=Ring1][N][C][C][C][C][C][Ring1][Branch1],COC(=O)C(NC(=O)C=1C=C(C2=CC=C(F)C=C2)ON=1)C3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8E40>,2.9423000000000012,0.8419906688856309,2.7232505151133353,1.4867028293148188
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N],O=C(NC1=CC=C(OC(F)F)C=C1)C2=CC=C(CN3C=CC=N3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8EB0>,3.7851000000000017,0.7408781938562319,1.9364935438689503,1.767897425412209
[C][C][C][N][N][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C],CCCN1N=CC(C(=O)C(C#N)C2=CC=CC=N2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8F20>,2.486600000000001,0.780905491281125,3.060119690486621,0.8444077659190037
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1],COCCN(CC1=CC=CC=C1)C(=O)C2=CN=C3C=CC(C)=CN23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D8F90>,2.9315200000000017,0.7005672184987735,2.2627812989732963,1.2400547935205708
[C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],CN(C(=O)NC=1C=NN(C)C=1C2)CCC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1040>,2.0306999999999995,0.7960420851101853,3.1510358703593804,0.8291745551915461
[C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][C][C][C][C][O][Ring1][Branch1],CC(NC(=O)CN1CCN(C2=NC=CS2)CC1)C3CCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E10B0>,0.9487999999999996,0.8738003497997131,3.1032059117985966,1.2657958371999687
[C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1],CC=CC1=CC=C(OS(=O)(=O)C2=CN=C(N)N=C2)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1120>,3.0128000000000013,0.7329878972783552,2.5696889125873046,1.0952505738044715
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(C(=O)N2CCN(C(=O)C3=CC=CC(C)=C3)CC2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1190>,3.210060000000002,0.8448151143809722,1.7854723350777402,2.438603236827121
[C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][=O][N][=N][Ring2][Ring1][#Branch1],CCCC1=CC(=O)[NH1]C(SCC(=O)NC2=CC=CC3=C2CCC3=O)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1200>,3.0368000000000013,0.8013978780313541,3.813120086370546,0.1938693037862249
[C][C][C][C][N][C][=N][C][=C][C][=C][Branch1][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][O][C],CCCCNC=NC=CC1=C(C2=CN1C(C)CC2)COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1270>,3.530400000000003,0.4515277189798601,5.079296325809695,-2.8216577309103945
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],COC(=O)C1=CC=C(C(=O)NCC(=O)NC=2C=C(C)ON=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E12E0>,1.1381199999999996,0.8000432032601377,1.9005236672046042,2.0996923490960846
[C][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring1][P],CCOCC(=O)N1CCN(C(=O)C2=CC=C3[NH1]C=CC3=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1350>,1.4887999999999992,0.9294221748665192,2.1487880247220854,2.4983228496105108
[C][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][#C],CC(=O)C1=CSC(COC2=CC(C)=CC(C)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E13C0>,3.541540000000002,0.790134687253193,2.15986804137653,1.7908053948894351
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][C],COC1=CC(C)=C(NC(=O)C(NC(C)=O)C(C)C)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1430>,2.11142,0.8436396758805655,2.293747913517258,1.9244504658855695
[O][=C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][Ring1][#Branch2][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1],O=C1CC(C(=O)N2CCCC(C)(O)CCC2)C3=CC(F)=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E14A0>,2.649300000000001,0.8655725372397316,3.0612882765855005,1.266574409613158
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][N][=O][=N][Ring1][S],CC(C)C1=CC=C(Cl)C(C(=O)NCCCC(N)=O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1510>,1.8537000000000001,0.7814748794154729,2.227110481986056,1.6802639150913086
[O][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1],O=C(CN1C=CC=N1)NCCOC2=CC=C3C(=C2)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1580>,1.9571,0.8296096005759547,2.1574483276009584,1.9905996752788147
[C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring1][=N],CN(CC(N)=O)C(=O)C1=CN(CC2=CC=CC=C2Cl)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E15F0>,0.5370999999999995,0.8718499016568417,2.264494548814133,2.094754959470076
[C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=C][Ring1][N],CCCN(C1CC1)S(=O)(=O)C2=CC=CC(NC(=O)CCC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1660>,2.9883000000000015,0.7991710722161139,2.06453104949445,1.9313243115861196
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring1],CC1=CC=C(C(=O)NC2=CC=CC(C)=C2C(N)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E16D0>,2.6546400000000006,0.8978197255979703,1.6741381730138158,2.8149604549760356
[O][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1],O=C(CNC(=O)C1=CC=C[NH1]C2=CC=CN=C2C1=N)N3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1740>,0.2900700000000005,0.732409423071639,3.052080082330489,0.609967033027706
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1],COC1=CC=CC(OS(=O)(=O)CC2=CC=C(F)C(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E17B0>,3.051520000000002,0.7965516110719472,2.082749455975936,1.9000085993838
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][=C],CC1=CC=CN=C1NC(=O)C=2C=CN(COC3=CC=C(F)C=C3)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1820>,3.014420000000001,0.7823540970144411,2.1581264494749686,1.7536440355972371
[C][C][C][N][=C][N][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][=C][Ring1][P][C][=Ring2][Ring1][Branch1],CCC=1N=CN=NC(C(=O)NC2=CC=C(C)C=C2)=C(C)N=CC=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1890>,2.822540000000001,0.9426006980342087,2.799612311348813,1.9133911788222298
[C][N][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(C)C(C(=O)NC1=NC2=CC=C(F)C=C2S1)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1900>,3.676800000000002,0.7940841263578369,2.482518346851773,1.4879022849374115
[C][N][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][Ring1][P][=O],CNC1=NC=C(C(=O)N2CCNC(=O)C2)C=C(Cl)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1970>,-0.2910999999999999,0.7823328527649861,2.6528220890977323,1.258842174727198
[C][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=N][Ring2][Ring1][Branch1],CC1=NC=CN1C2=CC=C(CNC(=O)C3=COC(C4=CC=CC=C4)=N3)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E19E0>,3.1607200000000013,0.5914675915728866,2.3431553678750223,0.6141825899894107
[C][O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C],COCCNC(=O)NC1=CC=C(C(C)N2CCOCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1A50>,1.8476999999999997,0.7874150892970927,2.4489517028313905,1.4881237436540729
[C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][O][Ring1][N],CCCN1C(C)=NN=C1SCC2=NC(C3=CC=CC(C)=C3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1AC0>,3.6472400000000027,0.6429978768109248,2.2893327799668395,0.9256566040877843
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=N][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][C][=C][Ring1][O][C][C][Ring1][Branch1][=C][Ring2][Ring1][Branch1],CC1=CC=CC(OCC2=NC(C3CCCO3)=NC=C2CC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1B30>,3.7779200000000026,0.8423897257762049,2.9723870050291925,1.2395616238518317
[C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl],CCCNC(=O)CCNC(=O)NC1=CC(Cl)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1BA0>,3.031200000000001,0.754362409404349,1.810210620566263,1.961601426455482
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][#Branch1],CC(=O)C1=CC=C(OC(=O)C2=CC=CN(CC3=CC=CC=C3)C2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1C10>,3.3184000000000013,0.4034021939573076,1.9215479925821644,0.0954629772043738
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][C][C][Ring1][P],COC(=O)CC1(NC(=O)CC2=CC=C(F)C=C2F)CCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1C80>,2.4994000000000005,0.8501366521514526,2.3960204568084453,1.854662803948818
[C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CCN1N=C(C)C=C1C(=O)NC2=CC=CC=C2CC3=CC=CC=C3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1CF0>,4.362940000000004,0.753773233186393,2.0613979317346054,1.7074682341973597
[C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][=C][Ring1][P][O],COC1=CC=CC(C(=O)NC2=CC=C(C)C=C2O)=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1D60>,2.6671200000000015,0.7511367030987743,1.84900502616067,1.9066784893332018
[C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(NC(=O)N2CCCC(C(=O)NCC3CCCO3)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1DD0>,2.5341200000000006,0.8808621710670673,2.7242402811730972,1.6800705741622393
[O][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][=C][NH1][C][=Ring1][Branch1],O=C(NCC1COC2=CC=CC=C2O1)NC=3C=C[NH1]C=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1E40>,1.9761999999999997,0.80003349036512,2.9312577189835487,1.0689097328420507
[C][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P],CCC1C(=O)N(CC(=O)N(C)C)C2=CC(Cl)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1EB0>,2.2684000000000006,0.8521341881166873,2.881276901321703,1.379394039261733
[C][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1],CCC1CCCCC1OC(=O)C2=CN=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1F20>,2.6022000000000007,0.7542322106469436,3.0880690098825383,0.6830920433521794
[C][O][C][C][C][N][C][=N][C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][=O][=C][S][Ring1][P],COCCCN1C=NC(C2=CC=C3C(=C2)CCN3C(C)=O)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E1F90>,2.6228000000000007,0.618097793049546,3.689353900633588,-0.5988649353858575
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1],CCOC1=CC=C(C(=O)CNCC2=CC=C(N3C=CC=N3)N=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5040>,2.4849200000000007,0.8007226732299852,3.144755082330488,0.8588582838194379
[O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Branch1][Ring1][O],O=C1CC(C2=CC=CC=C2)CC3=NC(C4=CC=CN=C4)=NN13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E50B0>,2.7103,0.7277793369748202,2.940080865975938,0.6988158188981632
[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],CC(=O)N1CCCC1C(=O)NCC#CC2=CC=C(C(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5120>,2.2885999999999997,0.8706906066364606,2.7523740938931915,1.6010789392891116
[C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][N][=Branch1][C][=O][=O],CCCC(=O)N(C)C(C#N)C1=CC=CC=C1S(N)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5190>,1.15718,0.8794604144288983,3.128860666020521,1.268441406123971
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][N],CC(C)COC(=O)CNC(=O)C1=C(C)C=CC=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5200>,1.5062200000000001,0.6235792212497812,2.07777292542497,1.0401231808239357
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][Ring1][P],CC(C)(C)OC(=O)N1CCCN(C2=NC3=CC=CC=C3N=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5270>,3.342920000000002,0.8033456974148809,2.435478957836173,1.5812495292382316
[C][C][Branch1][Ring1][C][#N][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][C][C][Ring1][Ring1],CC(C#N)(NC(=O)COC1=CC=CC(N2C=NN=N2)=C1)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E52E0>,0.8495799999999998,0.8473175998123785,2.9572177551357957,1.2793702439260972
[C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1],CN1C=C(Br)C=C1C(=O)NC2CCC(O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5350>,1.8209,0.8752807599607287,2.347186058108969,2.0292177416946746
[C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F][=C][Ring2][Ring1][Ring1],COCCCNC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC(OC)=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E53C0>,3.1613200000000017,0.6961317924276829,1.9778225772226357,1.5028363849157786
[C][C][O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][S][C][=Ring1][Branch1],CCOC1=C(OC)C=CC=C1CNS(=O)(=O)N(C)CC=2C=CSC=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5430>,2.6218000000000004,0.7367488570422575,2.41984933671103,1.2638949485002575
[O][=C][Branch2][Ring1][Ring1][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O],O=C(NC1CCOC2(CCCCC2)C13)CCN(C4=CC=CC=C4)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E54A0>,3.1209000000000016,0.8610668530634227,3.8964361604258766,0.4088981048912368
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C],O=C(C1=CC=CC=C12)CCN(C(=O)CC3=CC=C(Cl)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5510>,3.497700000000002,0.8507124326039402,1.924215664879064,2.3293464981406373
[C][C][=N][C][Branch2][Ring1][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][=Branch1],CC=NC(C(NC(=O)C1=CC=CC=C1C)C2=CC=C(Cl)C=C2)=NO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5580>,3.9979200000000024,0.380907485323156,3.0743592962641415,-1.1698218696483615
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][S],CC(C)(C)OC(=O)NCC(C)(C(=O)NCC=1C=COC=1)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E55F0>,2.836800000000001,0.8463587608083518,3.1860136510526598,1.0457801529890993
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring1][=N],CC(C)CNC(=O)C=1C=C(N)N(C2=CC=CC(Cl)=C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5660>,2.4937000000000005,0.9091284865815216,2.2009188723145137,2.344723560593094
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C],CC(=O)NCCNC(=O)NCC1=CC=CC=C1N2C=CN=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E56D0>,1.1160199999999993,0.6979632386977294,2.236522258180935,1.2532939353077115
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C3C(=C2)CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5740>,3.2142000000000017,0.8845869315365609,1.7381892912526915,2.6847453664301124
[O][=C][C][Branch1][Branch1][N][C][C][O][=C][N][Ring1][=Branch2][C][C][=C][C][=C][C][Branch1][=C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S],O=CC(NCCO)=CNCC=C1C=CC(CCCCOC2=CC=CC=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E57B0>,2.342199999999999,0.2824055289679612,3.4973935373005336,-2.085365892460728
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][Ring2][Ring1][Ring1],CCCNC(=O)C1=CC=CC(NC(=O)NCCC2CC3CCC2C3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5820>,3.774200000000003,0.7050585789315826,3.7521098845502774,-0.22681698989236398
[O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][C],O1C=CC=C(C2NCCC3=CC(Cl)=CC=C32)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5890>,3.5108000000000024,0.833380760423198,3.713849991831447,0.45305381028454317
[C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O],CC=CC(=O)N(CC1CCNC2=CC=CC=C21)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5900>,1.9501000000000002,0.8634490301835024,3.442559688699008,0.8746854622185039
[C][C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2],CCCCN(C)S(=O)(=O)CC(=O)NC1=CC=C(C)C(C(N)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5970>,1.0941199999999993,0.7373439688579831,2.2955929886106556,1.3911268556792602
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][C][C][Ring1][Ring2][Branch1][C][F][Branch1][C][F][F],O=CNC=CC=C(Cl)C(C(F)(F)F)=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E59E0>,2.4873000000000003,0.5780748145518526,4.153953662615216,-1.2635795898559525
[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring1][C],COC1=CC(C(=O)OCC(=O)C2=CC=C(C)C=C2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5A50>,3.351740000000002,0.6272156072026748,1.662355891865193,1.473722144148181
[O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],O=CC(C1=CC=CC=C1)=NNCC2=CC=CC=C2Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5AC0>,3.1419000000000015,0.5228238086164375,2.4744850274406005,0.13963401564158717
[C][O][C][=Branch1][C][=O][C][C][Branch1][P][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],COC(=O)CC(NC(=O)C=1SC(C)=NC=1C)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5B30>,2.7941400000000014,0.8608214989572186,2.492633237689976,1.8114742570961173
[O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Branch2][Ring1][Ring1][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][Ring1][=N][C][Ring2][Ring1][C],O=C(C1=CN=CC=N1)N2CCCC3(CC(CN4CCOCC4)CCO3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5BA0>,1.2101999999999997,0.8071615660423687,3.894410741243611,0.14139708896823233
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][Ring2][Ring1][Branch1][C],CC1=CC=C(C(=O)OCC(=O)NC2=CC=CC=C2CO)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5C10>,2.591240000000001,0.8320076872442915,1.7688575614353717,2.3911808747860857
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P],CC(=O)NC1=CC=CC(NC(=O)CSC2=NC=CC=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5C80>,2.1658,0.6529611498845159,1.9132613127398628,1.3515444366827167
[C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=N][C][Ring1][N][=C][Ring2][Ring1][Branch1],CC1=CC=NC(NC(=O)C2NC3=C(C)C(C)=NN3C=NC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5CF0>,1.51256,0.8799788829512868,3.8169083139621947,0.5829861007942396
[C][=C][C][=C][C][=C][Branch1][O][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][N][Ring1][=N][C][Ring1][P][=O],C=C1C=CC2=C(CNC3=CC=CN=C3)C=CN2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5D60>,1.4358,0.7657993720907197,2.7954489435245176,1.0335479169290807
[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],CC1=CC=C(Br)C=C1NC(=O)COC(=O)C2=CC=C(N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5DD0>,3.1352200000000003,0.6460434150876766,1.773395236127488,1.4568218393108952
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][C],CC1=CC=CC=C1S(=O)(=O)NC2=C(Cl)C=C(N)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5E40>,3.3398400000000006,0.8540044421349744,2.0736260518016945,2.1963961588731777
[C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][Ring2][Ring1][=Branch1][C],CC=C1C(C(=O)N2CCC(C)CC2)=NC(N3N=C(C)C=C3C)=NC1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5EB0>,2.751940000000001,0.7883071709235338,3.7080793907080416,0.23345646390962704
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][C][O][C],COC1=CC=C(C(=O)NC2=C(C)C=C(C)C=C2C)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5F20>,3.8813600000000026,0.9316225678744285,1.6848441264175271,2.9732687129546154
[C][O][C][=Branch1][C][=O][C][=C][Branch1][N][C][Branch1][Ring2][C][O][C][C][=C][Ring1][Branch2][Cl][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][O][C],COC(=O)C1=C(C(COC)C=C1Cl)N=CN(C)CCC(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E5F90>,1.3356,0.375453599860114,3.967303886076815,-2.0900358867762447
[C][C][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O],CCCCCNC(=O)CN1N=C(C2=CC=C(F)C=C2)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC040>,2.3558000000000003,0.7973888300108865,1.936885098417621,2.0500590516368113
[C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C][C][N][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O],CC1=CC=CC(=C1C)CCNC2CC3=CC=CC=C3C(=O)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC0B0>,3.1747400000000017,0.8805032686071722,2.926938516018204,1.4755778270176574
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N],CC(C)CCCC(C)NC(=O)NC1=CC=C(N2C=CC=N2)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC120>,4.347700000000003,0.791808978917345,2.6847037279518577,1.2743411666348674
[C][S][C][=N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1],CSC1=NC=C(C(=O)N2CCC(NC(=O)C3=CC=CC=N3)CC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC190>,1.6281,0.6608695465097625,2.308560851561259,0.9957868809875539
[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=C],CCCC(=O)C1=CC2=CC(=C1)N(S(C)(=O)=O)CC(C)(C)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC200>,2.6064000000000007,0.8018523188158858,3.8471692038901626,0.16209239018926613
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][O][C][C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring1][F],COC1=CC=CC(CC(=O)OCC2C=C(F)C=CC2=O)=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC270>,2.528500000000001,0.7844422976312887,3.3403379035159526,0.581873584640491
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(CNC(=O)NCC=2C=CN(C)C(=O)C=2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC2E0>,2.0015400000000003,0.9067760395755239,2.1481402550429998,2.3857399428346193
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring2][Ring1][C],CC1=CC=C(C(O)CNC(=O)C2=CC=CC(Cl)=C2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC350>,2.7048200000000007,0.904428711523543,2.4699491116862564,2.052194445931459
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][C][=N][C][=C][Branch1][#C][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O],CN(C)C(=O)CCCN1C=NC2=C(N=NN2CC3=CC=CC=C3)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC3C0>,0.9046999999999994,0.6655144531548427,2.328771062828862,0.9988012029453515
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=N][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][Branch1][C][C][=C][Ring2][Ring1][Branch1],CC1=CC(C)=C(NC(=O)CN2C(C)=NC(C#N)=C2C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC430>,2.9355800000000016,0.9462687848763365,2.5330109712675917,2.1983329531140905
[N][C][=C][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch2][N][Ring1][O][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P],N1C=CC2=C(Cl)C=C(N1C(N)=O)C(=O)C3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC4A0>,2.6252000000000004,0.6662429751224954,3.4400781920362444,-0.10886331642376756
[O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=N][N][=C][S][Ring1][Branch1],O=C(CSC1=CC=CC2=CC=CC=C12)NC3=NN=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC510>,3.4221000000000013,0.7502001324274151,2.1427246611019974,1.6082760010350783
[C][C][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][N][=C][C][Branch1][C][C][=C][C][=C][N][Ring2][Ring1][#Branch1][Ring1][#Branch1],C1C=C(NCC2=CC=CC(OC(F)F)=C2N)C3C(C)=CC=CN13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC580>,3.001500000000002,0.8193336382820192,3.9143129030647907,0.18235528834530523
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Branch1],CC(=O)C1=CC=CC(OC(C)C(=O)NC2=CC=CC=C2C(C)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC5F0>,3.4978000000000016,0.8251313348953719,2.2471729378464396,1.87848373663042
[C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],CCN(CC(=O)NC(C)C)C(=O)C1=CC=C(C2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC660>,3.340300000000002,0.8857696646819142,1.7786918166191796,2.650156506790392
[C][C][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1],CCCC1C2=NC=CN2CCN(CC3=CC=C(F)C(Cl)=C3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC6D0>,4.0751000000000035,0.8459145314435194,3.0571363182160063,1.1724363390015906
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring2][C],CC1=CC=CC(NC(=O)NC(C)C(=O)NC2=NC=CS2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC740>,2.908640000000001,0.8102794130833368,2.4986324810695457,1.5527645843471385
[C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(NS(=O)(=O)C1=CC=CC=C1)C(=O)N(C)CCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC7B0>,1.4494999999999998,0.8220731800935724,2.5339583777796406,1.5764075226882213
[O][=C][Branch2][Ring1][Ring1][C][N][N][=C][C][=Branch1][=Branch1][=C][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],O=C(CN1N=C2C(=CC1=O)CCCC2)NCC3=CC=C(F)C(F)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC820>,1.7166999999999994,0.9265016527862119,2.307966061908571,2.3245422020224886
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C],COC1=CC=C(C(C)NC(=O)C2=CC=CC3=NC=CC=C23)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC890>,3.743000000000002,0.7708496318623105,2.2651124869443215,1.589135672367231
[C][C][C][C][N][C][C][C][C][Branch2][Ring1][=Branch2][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Branch1][=O],CCCC1NCCC2C(CN(C(=O)NC3=CC=CC(C)=C3)CC2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC900>,3.1961200000000014,0.8858779860153942,3.458280996650247,0.9711089334267244
[C][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][N][C][=C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][S][=O],CCN1C=CC=C(C(N)C2=CC=C(N)C(F)=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC970>,1.6376,0.8247308609332819,2.9260996475799708,1.1975546570864388
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=N],CC(C)(C)C(=O)CNC(=O)C1=CC=C(N2CCC(O)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EC9E0>,1.9927,0.8906369957036134,2.114249663083724,2.338935315434343
[C][C][=N][N][Branch1][C][C][C][S][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][O][C][C][Ring1][#Branch2][=C][C][Ring2][Ring1][=Branch1][=Ring1][P],C1C=NN(C)C=2SC(C(=O)N3CCN(CC(C)O)CC3)=CC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECA50>,0.8648,0.8968220597612173,3.508730894607357,0.9753794041987298
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N],CCCC(=O)NC1=CC=CC(C2=NC=CN=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECAC0>,3.190620000000002,0.9123889009998879,1.9973540717296459,2.5645904332697933
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][=N][C][Branch1][P][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=N][Ring1][O][=C][O][Ring1][P][=C][Ring2][Ring1][#Branch1],COC=CC=C(OC)C(C=NC(C1=CC=NC(OC2CCC2)=N1)=C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECB30>,2.7089000000000008,0.2966536062790892,3.8235707966162034,-2.3403027652207573
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][Ring1][P],CCCS(=O)(=O)NC1=CC=C(NC(C)C2=CC=CC=C2CC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECBA0>,4.573800000000004,0.7357152710677358,2.533592591327288,1.144983764011391
[C][=C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][C][C][=C][Ring1][O][C],C=CCCCN(C)C(=O)C1=CC(S(N)(=O)=O)=CC(C)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECC10>,1.9890399999999997,0.6442610267723037,2.4577896344181838,0.7635154994433346
[C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][Ring2],CN1N=NN=C1C2=CC=CC(NC(=O)C3=CN=C4C=CC=CN4C3=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECC80>,1.1372999999999995,0.5953761454053597,2.339145797155968,0.6377349298708301
[C][C][=C][C][=C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][Ring1][P][=N][Ring2][Ring1][Branch1],CC1=CC=C2C=CC=C(NC(=O)CCN3CCOC3=O)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECCF0>,2.32402,0.9401804259580645,2.251215664879064,2.4496864649112586
[C][C][Branch1][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C][=O],CC1(C)CC(C(=O)NC2=CC=CC=C2N)(C3CC3)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECD60>,2.6027000000000005,0.6559330649521528,3.1886804047723354,0.09098491998842828
[C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][N][S][C][C][Branch1][C][F][Branch1][C][F][F],CN(C(=O)C1=CN=C(C2=CC=CN=C2)N=C1SC)C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECDD0>,2.8523000000000014,0.4925244357214968,2.8610125879559885,-0.39839040934850445
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1],C=CCNC(=O)C1=CC=C(Cl)C=C1NCC2=NOC(C)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECE40>,2.5593200000000005,0.8017620304282816,2.4243166321661977,1.5844935199752106
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC(C)=C(C(=O)NC2=CC=C(N(C)C)C=N2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECEB0>,2.7255200000000004,0.9189076811674198,2.074823289457351,2.519715116379748
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S],CN(C)S(=O)(=O)C1=CC=C(C(=O)OC2CCCC(C)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECF20>,2.6724000000000014,0.7984911898649304,2.741764325260135,1.2506916240645167
[C][C][Branch1][C][O][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][C][Ring2][Ring1][Ring2],CC(O)CN1CCN(C(=O)C2=CC(=O)N(C3=CC=CC=C3)N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ECF90>,0.3041999999999994,0.8450122609514646,2.8257804450451243,1.3992808597121993
[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1],CCOC(=O)N1CCC(NC(=O)N(C)CC2=CC=C(F)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8040>,2.588000000000001,0.9184906958022787,2.041853469891281,2.550600009120112
[F][C][=C][N][=C][C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1],FC1=CN=CC(CCC2=NC(C3=CC=CC=N3)=NO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E80B0>,2.4509,0.728211098469227,2.319643305169796,1.321412187176339
[C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][Ring2][Ring1][Ring2],CC1CCCC2C1OCCNC(=O)C=3N=C(C4=CC=CC=C4)SC=3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8120>,3.9174000000000024,0.8425307382976139,4.199507972643886,0.013145718844183918
[C][O][C][C][=C][C][Branch1][#C][N][C][C][C][C][C][N][=C][Ring1][=Branch1][C][=N][O][Ring1][=C][=N][C][Branch1][C][C][=N][Ring2][Ring1][C],COCC1=CC(NCC2CCCN=C2C=NO1)=NC(C)=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8190>,1.3689699999999998,0.5942998870444605,5.352043608424733,-2.3805441732024306
[C][O][C][C][Branch2][Ring1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring1][#C][C][Branch1][C][C][C],COCC(OC(=O)C1=CC=CC(N(C)C(=O)C=2C=C[NH1]N=2)=C1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8200>,2.514100000000001,0.7795765440564438,3.3477041398719205,0.5501785804102988
[N][#C][C][C][C][O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][#C],N#CCCCOC1=CC=CC(NC(=O)CC2CCCO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8270>,2.876780000000001,0.7830569421335629,2.5598516093843138,1.3554331012835008
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N],O=C(NC1=CC=CC=C1)N2CCN(CC3(O)CCCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E82E0>,2.1412000000000004,0.8993187712745054,2.0827106168021423,2.413883239570385
[N][#C][C][=C][C][=C][Branch2][Ring1][N][N][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1],N#CC=CC=CNC(C(=O)N1CCC1)C2=CC=C(F)C=C2C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8350>,2.925180000000001,0.64898157011941,3.737127699662424,-0.49221984906537397
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][C],COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CC(C)CC(C)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E83C0>,2.448220000000001,0.8008750429151668,2.770025537776432,1.2343496767994022
[C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][C][C][C][Ring1][=Branch1],CN(C(=O)CCNC(=O)C1=CC=CC=C1F)C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8430>,2.736700000000001,0.909102948063532,1.9517898584274516,2.5937248818902088
[C][C][=N][C][=C][C][=Branch1][C][=O][NH1][N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][Ring1][#Branch2],CC1=NC2=CC(=O)[NH1]N2C(C)=C1CNC(=O)N3CCCC4CCCCC43,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E84A0>,2.5036400000000008,0.8662303535950929,3.437299043815626,0.8938527241598386
[C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2],CC1CCCN(C(=O)C(C)S(=O)(=O)C2=CC=C(Cl)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8510>,2.7607000000000017,0.8564561274659991,2.8184698111776125,1.4638108261523826
[C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][O][C][C][NH1][C][Branch1][C][C][=N][C][=Ring1][=Branch1][N][Branch1][Ring1][C][C][C][Ring1][=C][=O][C][C][O][Ring2][Ring1][=Branch1],CCCCC1N(C(=O)C2COCC=3[NH1]C(C)=NC=3N(CC)C2)OCCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8580>,1.99752,0.8585292853953207,4.411613596830178,-0.11896716985357436
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring2],CCOC1=CC=C(S(=O)(=O)OC2=CC=CC=C2NC(C)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E85F0>,2.811400000000001,0.8210022495634279,1.862007561435373,2.2430036863817664
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1],COC1=CC=CC=C1C(C)NC(=O)CNC(=O)C2=CC=C(Cl)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8660>,2.3508000000000004,0.8401930427754218,2.4047158978714904,1.7962493160056185
[O][=C][Branch2][Ring1][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1],O=C(CC1=CSC(C2=CC=CN=C2)=N1)NC3=CC=C(Cl)C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E86D0>,3.434700000000001,0.7953731979771165,2.181489943725218,1.7953760461603645
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Ring1][#Branch2][O][C],CCN(CC)C(=O)NC1=CC(C(=O)NC)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8740>,1.9284999999999999,0.864840954829323,1.8918311800068235,2.4323735941397917
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],CCOC1=CC=C(S(=O)(=O)N(C)CCC2=CC=CC=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E87B0>,2.3435000000000006,0.7855213304240253,1.9350427120254672,1.992563940094659
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][Ring1][#C],CC(C)C(=O)N1CCC(C(=O)N2CCCC(O)C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8820>,0.8642999999999994,0.817100234495055,2.5698446005765305,1.5156565718987443
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][C][Ring1][=C][Ring1][Branch1],CC(C)CCNC(=O)C(C1C=C2[NH1]C=CC2C(C)C3)=CC=CC13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8890>,3.5341000000000022,0.8335250394478817,4.699551731640273,-0.5319265344008652
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1],CC(C)C1=NOC(CCC(=O)NC2=CC=C(CN3CCOCC3)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8900>,2.5965000000000007,0.8193638140005018,2.14965472023289,1.9471643497696194
[C][C][C][Branch1][Ring1][C][O][N][C][=C][C][=C][Branch1][#C][C][Branch1][C][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][S],CCC(CO)NC1=CC=C(C(O)CCN2CCOCC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8970>,1.0200999999999996,0.6654002709916699,3.1638516878974974,0.1631496670608521
[O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCC1=CC=CC(Cl)=C1)NCC(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E89E0>,2.7779000000000007,0.7933061586623471,1.6388420385054374,2.327688754806298
[O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2],O=C(CN1C(=O)[NH1]C2=CC=CC=C21)NC3=NN=C(C4CC4)S3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8A50>,1.6971999999999994,0.7661155217860671,2.311716763780163,1.5188608451501722
[C][O][C][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1],COC1CCC2(CCN(C(=O)C3=CC=C(Cl)C=C3)CC2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8AC0>,3.761300000000003,0.8323155207954932,3.1348728391939638,1.026704764783502
[C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1],CCCNC(=O)CN(C)C(=O)CNC(=O)C=1C=CSC=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8B30>,0.46249999999999974,0.767365273015001,2.1909143967900384,1.6459119682849668
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][O][C][C][C][Ring1][Ring1][N][Ring1][P],CC1=CC=CC=C1N2C=CN(CC(=O)N(CCCCO)C3CC3)N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8BA0>,1.77132,0.7116196307244488,3.023718550596354,0.53437960302589
[C][#C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Ring1][N][C][C],C#CCNC(=O)CSC1=NN=C(C2=CC=CC(C)=C2)N1CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8C10>,2.11492,0.65521842213415,2.2780901065664096,0.9980020041043405
[C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#C],CCCC(=O)OC1=CC=C(NC(=O)C2=CC=CO2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8C80>,3.5458200000000017,0.674211640709738,1.9583184574595496,1.4127397460891409
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1][C],CCOC1=CC=C(NC2=NC=NC3=C2C=NN3CC)CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8CF0>,3.4124000000000025,0.9163710936377947,3.1787341785682397,1.4031212896207332
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][C],CCS(=O)(=O)NC1=NC(C2=CC=C(F)C=C2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8D60>,2.957720000000001,0.9427946862165577,2.0958718793075217,2.6181015517752666
[C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=O][C][Branch1][C][C][=C][Ring2][Ring1][C],CC1=CC=C(N2CC3=C(N)C=CC=C3C2=O)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8DD0>,3.0460400000000014,0.7928220922736158,2.172573181550641,1.7915372798174376
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2],CCOC1=CC=C(NC(=O)NC2=CC=C(C)C(OC)=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8E40>,4.354740000000002,0.8620245766479137,1.7986267922046029,2.5114960910349655
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring2][Ring1][C],CS(=O)(=O)N1CCCCN(C(=O)CC2=C(F)C=CC=C2Cl)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8EB0>,1.8630999999999995,0.8374561212804309,2.346828741802142,1.8404518646000128
[O][=C][Branch1][#C][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N],O=C(NCC(O)C1=CC=CC=C12)CCCC(=O)N(CC(F)(F)F)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8F20>,1.9109999999999996,0.8176666447698262,3.584108875898666,0.5042243479504647
[C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O][C][Branch1][C][C][C],CCCCN(C(=O)C1=CC=CC(N2C=CC=N2)=C1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E8F90>,3.5230000000000024,0.814117107081926,2.136276736468675,1.9343087989409549
[C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][Ring1][S],CCOC1=CC2=C(C=C1O)C(C3=CC=CC(O)=C3)NCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3040>,2.7316000000000003,0.8112198395283614,2.791432845197681,1.2646663524441255
[C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C],CCCN(CC(F)(F)F)C(=O)C=1C(C)=NOC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E30B0>,2.705940000000001,0.8395658322353563,2.493033429265237,1.7047957319115445
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][N][S][Ring1][#C],CCCNC(=O)C1=CC2=CC(N(C)S(C)(=O)=O)=CC=C2S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3120>,2.4369000000000005,0.9175038769527235,2.3227043491771084,2.2648150355865093
[C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][O][Ring2][Ring1][#Branch1],CCC1CN(C(=O)NCC2=CC=C(CN3CCOCC3)C=C2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3190>,1.8391999999999997,0.8830537356098862,2.5855437696882024,1.8297249083612286
[C][N][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2],CN1C=C(NC(=O)C2=CC=CC=C2C)C3=CC=C(Cl)C=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3200>,4.392420000000003,0.7476724264251019,1.9460892527659368,1.7922728793595728
[O][=C][Branch1][#C][C][C][Branch1][Branch1][C][C][Ring1][Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(CC1(CC)OCCO1)N2CCCC2C3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3270>,2.2883000000000004,0.8534659526535122,3.1767658590690573,1.090563904198504
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1],COC1=CC=C(OC)C(CNC2=CC=C(F)C(C#N)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E32E0>,3.3266800000000014,0.9156791731980889,1.980444141944556,2.5979517240458883
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring2][Ring1][C],CC1=CC=C(F)C(OC(=O)C(C)C2=NC(C)=NO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3350>,2.5346400000000004,0.6292333714607009,2.9352540854497917,0.21091277185371293
[C][N][Branch2][Ring1][Ring1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Branch1][C][C][=Branch1][C][=O][=O],CN(CCCNC(=O)NC1=CC=CC=C1Cl)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E33C0>,1.7429999999999999,0.7839542775021481,1.9906927184683614,1.929078669042379
[C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C],CN(CC1=CC=CC(N(C)C)=C1)CC2=NC3=CC=CC=C3N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3430>,3.271300000000002,0.722819209040823,2.1170661635063794,1.4970298816977357
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][C][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(C(=O)NC2=CC(C#N)=CC=C2OCCC)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E34A0>,3.916400000000002,0.8740429972949224,1.949497557147307,2.420717429327305
[C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch1],CC1=CC(C)=C(C#N)C(SCC(=O)NC2=CC(F)=CC(F)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3510>,3.5791200000000023,0.8686818669035666,2.2753002125342725,2.068109121983561
[C][N][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][=O],CNC1C(C(=O)NCC2=CC=CC=C2F)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3580>,0.6188999999999998,0.8232532895989542,3.065183932526833,1.0510825154679377
[C][C][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F],CCN(CC1=CC=C(N2C=CC=N2)C=C1)C(=O)C3=CC=NC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E35F0>,3.0687000000000015,0.7245974489379009,2.2436274528194495,1.3793597918700549
[C][C][C][Branch1][C][C][C][N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][Ring1][N][C][Branch1][C][C][=N][Ring2][Ring1][Branch1],CCC(C)CN1C=C(C(=O)NC2C=CC3=CC(CN(C)C3=O)=C2)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3660>,2.23062,0.881665810294158,4.966536425610418,-0.5582073741396272
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][C][=N][Ring2][Ring1][=Branch1],COC1=CC=C(NC(=O)CSC2=NC3=CC=CC=C3C(=O)[NH1]2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E36D0>,2.0574999999999997,0.5440509072602487,2.2041659143579118,0.5160886219433318
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CC(C)(C)CC(=O)OCC(=O)C1=CC2=CC=CC=C2[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3740>,3.330000000000002,0.6862981640440878,2.2224106205662633,1.209080199654176
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1],CCCC(=O)NC1=CC=CC(NC(=O)CNC2=CC=CC(CC)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E37B0>,4.0382000000000025,0.6796604590109451,1.8334843889393717,1.5648179061153535
[C][N][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][=C][C][=C][Ring1][P][O][C][C],CNC1=CC(C(=O)N2CCCC(C(N)=O)C2)=CC=C1OCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3820>,1.4645,0.8623628039188078,2.4844299590014494,1.82738406059259
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][C][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][#Branch1][C][=Ring1][#Branch2][C][O][=C][Ring2][Ring1][Ring2],COC1=CC=C(OC)C(C=2N=C3C=C(C)C=CN3C=2CO)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3890>,2.8192200000000005,0.8044556700552666,2.3301806772860125,1.6920976729903208
[N][#C][C][=C][C][=C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1],N#CC=CC=C1CC=C(C(=O)NCC2=CC=C3C(=C2)OCO3)OC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3900>,2.3418799999999997,0.8599267567444272,3.2618708259680407,1.0377629577540954
[C][O][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],COCCN1C=NN=C1CNC(=O)NC2=CC=CC=C2CC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3970>,2.8370000000000006,0.6431515864318517,2.2267039559957613,0.9890539761634969
[N][#C][C][N][=C][N][Branch2][Ring1][C][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][=Ring1][P],N#CC=1N=CN(CC2=NC=C(C3=CC=CC=C3)O2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E39E0>,1.85308,0.7092045611181073,2.4531547127552873,1.092868092835249
[C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][N][C][=N][C][=C][C][Branch1][C][O][=N][Ring1][#Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][#Branch1],CC1CCCN(C(=O)CNC2=CC=C(C3=NC=CC(O)=N3)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3A50>,2.5196000000000005,0.9024775533442434,2.7849051056786074,1.7274826610426093
[N][#C][C][=C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N][C][Branch1][C][F][=C][Ring2][Ring1][Branch1][Cl],N#CC=CNC(=O)CCCC=NN(C1=CC=C(F)C=C1)N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3AC0>,1.81538,0.26302495332489534,3.4295591354256505,-2.1144343688011737
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1],CCC(C)NC(=O)C(C)SC1=NC=NC=2SC=CC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3B30>,3.0866000000000016,0.6800894109212361,3.117040927563063,0.28340612704311763
[C][#C][C][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][=N][=O],C#CCNC(=O)N1C(C2=C(C)C=CC=C2C)CCC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3BA0>,2.3097400000000006,0.8383455269170157,3.2022110341429633,0.9895166004421148
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][C][=N][Ring1][Branch1][=C][Ring2][Ring1][#Branch1],CC1=CC=CC(CNC(=O)NC2=CC(Cl)=CC=C2N3C=NC=N3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3C10>,3.5508200000000008,0.7618847000287835,2.0772769511472085,1.7321465489967092
[O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2],O=C(CCNC(=O)C1=CC=CS1)NC2=NN=C(C3CC3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3C80>,2.2356,0.8540241078910489,2.2339197742783234,2.036200765176921
[C][N][C][=C][N][=C][Ring1][Branch1][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1],CN1C=CN=C1C(C(=O)OCC2=CC=C3N=CC=NC3=C2C4)CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3CF0>,2.5266,0.6439364985979862,3.8347712535210423,-0.6150887605311115
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][P],CC(C)(C)C(=O)NC1=CC=C(CC(=O)NC2CCCCC2O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3D60>,2.633400000000001,0.7929448939732797,2.776312583252208,1.1884118866141904
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][S][Ring2][Ring1][Branch1],CC1=NC(C)=C(CC(=O)NC2=CC=CC=C2N3C=CC=N3)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3DD0>,3.1268400000000014,0.8049325252587338,2.2818574231208224,1.7428052031728463
[C][C][=C][Branch1][C][O][C][=C][C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][C][Ring2][Ring1][Ring2][=Ring1][#C],CC=C(O)C=CCC(CNC(=O)NC1=CC=NC=C1)=NOC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3E40>,2.613600000000001,0.31211755627768795,3.3112588410577253,-1.7506710596692856
[C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S],CN(C(=O)C1CC1)C2CCN(C(=O)CC3=CC=C(F)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3EB0>,2.2276,0.8540137020848578,2.0701260710507565,2.1999424393735323
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=N][O][Ring2][Ring1][Ring2],CCC1=CC=C(C(=O)N2CCN(CC=3C=C(C)ON=3)CC2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3F20>,2.09642,0.8652566449111004,2.277013467076868,2.0492697574786343
[N][#C][C][N][N][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],N#CC1NN=CC(C(=O)N(C)C)=C1NCC2=CC=C(C(F)(F)F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E3F90>,1.6184800000000004,0.8638495415432047,3.7575868862815227,0.5616608214345007
[C][C][C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch1][C][Branch1][C][C][C][C][N][=Ring1][=Branch2][C][Branch1][C][C][C][S][C][=Ring2][Ring1][Ring2][C][O],C=1CCC=C(NC(=O)C=2C=NN(C(C)CC)N=2)SC=1CO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4040>,2.223500000000001,0.871617121902165,4.220211358887381,0.13787425062344383
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P],CC(=O)N1CCCN(S(=O)(=O)N2CCCC(C)C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D40B0>,0.5173000000000003,0.7469288207899504,2.6596633418352713,1.0749807621144805
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][N],COC(=O)C1=CC=CC=C1C2NCCC3=C(O)C=C(C)C=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4120>,2.7223200000000007,0.8368656877649212,2.875624442994452,1.3087039958301538
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][C][=C][C][O][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring1][S],CNC(=O)C=CC=CC(C=CC1OC(C)=NC1=C)=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4190>,2.2881,0.6073227507166692,4.613357339887662,-1.5767435863043158
[C][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring2][Ring1][Ring2][Ring1][Branch2],CC=1C(C2=NC(C3CCOC3)=NO2)C4C=NN(C(C)C)C=14,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4200>,2.2707000000000006,0.8534163337977186,4.624280531501656,-0.3571988625130622
[C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][=C][Ring1][#C][N][C][C][C][C][Ring1][Branch1][=O],COC1=CC=C(NC(=O)C2=CC(Cl)=C[NH1]2)C=C1N3CCCC3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4270>,3.0558000000000005,0.9026417538997287,2.2713250984176216,2.2418836710810215
[C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2],COC1=CC=CC(Cl)=C1C(=O)NC2=CC=C(NC(C)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D42E0>,3.5593000000000012,0.9053981162178019,1.7077803559257223,2.819210225163287
[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(NC(=O)C2=CC=C(CN3C=CN=C3)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4350>,3.4921200000000026,0.7995044224432103,1.7352457129559866,2.262276399260065
[C][C][C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][N][=O][NH1][C][=C][Ring2][Ring1][#Branch1][C],CCC1C=C(CNC(=O)C2=CC=C(C3=CC=CC=C3)[NH1]C2=O)[NH1]C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D43C0>,3.1888000000000005,0.7760220714901988,3.3969627059131646,0.48314765153782924
[C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][NH1][Ring1][Branch2][C][C][C][Ring1][Ring1][C][C][Branch1][C][C][O][Ring2][Ring1][Branch2],CC1CN(C(=O)COC(=O)C2=CC=3SC=CC=3[NH1]2)C4CC4CC(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4430>,2.800600000000001,0.85251474477221,3.9363459984100473,0.32622772545100265
[C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C],CNC(=O)CN1CCN(C(=O)CC2=C[NH1]C3=CC=CC=C23)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D44A0>,0.6006000000000014,0.8682813813843069,2.030632080666141,2.3107748262553933
[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Ring1][C][N][N][=N][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][C][C][Ring1][Branch2][C][C][Ring1][O][Ring1][S][C][Ring2][Ring1][Ring1],CCOC(=O)NC1CCCN2N=NN(C2=O)CCCCCC1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4510>,1.544799999999999,0.8904767060467687,4.888805888976208,-0.4364223587423641
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C],CCC(=O)C1=CC=C(S(=O)(=O)NC2=CC=C(C#N)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4580>,2.951780000000001,0.8595062012584057,1.8704999019534636,2.427031104338565
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][N][=C][N][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][=N][Ring1][#Branch2],O=C(NCC1=CC=CO1)C=C2C=CN=CN=C(OC(F)F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D45F0>,2.5717000000000008,0.8660131562377045,4.060561725012074,0.2695040561764479
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][N][=C][Branch1][Ring1][C][O][O][C][Ring1][Branch2][=O][=N][C][Branch1][C][N][=N][Ring1][=C],CC(C)(C)OC(=O)C=C1C(N=C(CO)OC1=O)C(N)=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4660>,-0.4933299999999993,0.27656548004227727,4.200135730216122,-2.8173083300047352
[O][=C][Branch1][#C][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],O=C(NCC1=NN=CN1C2CC2)NC3=CC=C4C(=C3)CCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D46D0>,2.423400000000001,0.9100785422721999,2.3592377802636797,2.1911549310973193
[O][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F],O=C(C#CC1=CC=CC=C1)NC2=CC=CC=C2OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4740>,3.278200000000001,0.8797893879286095,2.1968628512014003,2.202084088441647
[C][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CN1C=NN=C1S(=O)(=O)CC(=O)NCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D47B0>,-0.09479999999999933,0.8311332963164348,2.3099528833035254,1.8457135982786488
[C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][Branch2][NH1][C][=Ring1][Branch1][C][Ring1][=Branch2][C][C][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C],COC(=O)C1S=2C=C([NH1]C=2C)CCCCCN1C(=O)C3CC3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4820>,2.4074,0.6204080593812263,5.793995576212048,-2.691955279305916
[C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Ring1][O][=O],CC(C)N(C)C(=O)CCCN1N=C(C2=CC=CS2)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4890>,2.618800000000001,0.8222219879281335,2.3838903180947018,1.7272196215459656
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],CCNC(=O)C(C)NC(=O)C1=CN(C)N=C1C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4900>,0.9719999999999993,0.862663084358428,2.83768750536405,1.47562791642809
[O][C][Branch1][Branch1][C][C][C][O][C][=C][C][=C][Branch1][#C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][S],OC(CCCO)C1=CC=C(CSC2=NN=CN2C3CC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4970>,2.7112000000000007,0.7321059402082413,2.8705099445896316,0.7900197564515747
[C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1],CCNC(=O)C1CCN(S(=O)(=O)C2=CC=CC(OC(F)F)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D49E0>,1.8247999999999998,0.8376571948039857,2.1204663704235855,2.0678196035963428
[O][=C][Branch2][Ring1][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2],O=C(C1COC2=CC=C(F)C=C2C1)N3CCCC(C(F)(F)F)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4A50>,3.1777000000000015,0.7399347338373818,3.138154779508751,0.5615188896781582
[O][=C][Branch1][S][C][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1],O=C(CN1CCSC2=CC=CC=C21)N3CCCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4AC0>,3.0013000000000014,0.8363357451703071,2.1296787680120364,2.0519999578394987
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][S][Ring2][Ring1][=Branch1],CC1=NC(C)=C(C(=O)NCC2=CC=CC(OCC(F)(F)F)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4B30>,3.6310400000000023,0.9010594378062675,2.1740782345122955,2.3312189545190423
[O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2],O=C(CSC1=CC=C2C=CC=CC2=C1)NC3=CC=C4[NH1]N=CC4=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4BA0>,4.446900000000002,0.5426198123099424,2.0698215363843833,0.6432775251653284
[C][N][Branch1][=C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O],CN(CC1=NC=CN1C(F)F)C(=O)C2=CC=C(C3=CN=CO3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4C10>,3.205400000000001,0.7195830287257027,2.6303941162072135,0.9675210274213
[C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CC(=O)C1=NC2=CC=CC(N)=C2N1CC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4C80>,3.522800000000002,0.5943504583771616,2.318330191488233,0.6534221003975751
[C][O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Ring1][#Branch1][C][=C][Ring1][=N][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1],COC=CC=C(S(=O)(=O)NCC)C=CNCC1=CC=CN=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4CF0>,1.6681999999999997,0.5336147433795746,3.5129593373356407,-0.8448856204377675
[C][C][C][=C][Branch2][Ring1][=N][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][O][N][=Ring2][Ring1][=Branch1],CC=1C=C(C2CCCN2C(=O)CC3=CC=C4C(=C3)CCC4O)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4D60>,2.558100000000001,0.932619669273462,3.4907980783253194,1.1723002680419903
[C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],COCCN(CC1=CC=CO1)C(=O)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4DD0>,2.3551,0.8783651607766684,2.168534628282684,2.223291175600658
[O][=C][Branch1][#C][C][=C][C][=C][S][N][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][N][Branch1][Ring2][C][C][O][C][C][C][C][C][O][Ring1][Branch1],O=CC1=CC2=CSN=NC2=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4E40>,1.0375999999999999,0.6638284894609263,3.3941094347110052,-0.07496698740637342
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1],CN(C)C(=O)CCCNC(=O)NC(C1=CC=CC=C1)C2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4EB0>,2.5366,0.7666645663480419,2.6088580468550777,1.2244647848851318
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][=C],CCC(CC)C(=O)NC1=CC=C(C(=O)C=2C=C(C)ON=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4F20>,3.588720000000002,0.8274403731521709,2.1653594227605275,1.9718424430003267
[C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][Branch1][C][N][=O],CCC(C)C(NC(=O)C1=CSC(C=2C=COC=2)=N1)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D4F90>,2.0328999999999997,0.8527360694928364,3.227001166754885,1.0366791807092968
[O][=C][C][Branch1][C][Cl][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],O=C1C(Cl)=C(NCC2=CC=CO2)NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1040>,3.3866000000000014,0.7696161164868853,2.448154677790251,1.3999259046441752
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2],CC1=CC=CC(C)=C1NC(=O)NCC2=CC=C(S(N)(=O)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D10B0>,2.2725400000000002,0.7996704609202284,1.837091421325482,2.16126088327566
[C][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][P],CC1=NN=CN1C(C2=CC=CC=C2)C(C)(C)CC(=O)N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1120>,2.07752,0.9051680209583204,3.320477327849259,1.2053627769423425
[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=O],CNC(=O)NC1=CC=C(C)N(CC(=O)NC2=CC=CC=C2C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1190>,1.85514,0.7996257553369113,2.0567719648291796,1.9413568118553766
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],CC(C)(CNC(=O)CC1=CC=C(Cl)C=C1)C2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1200>,3.371500000000002,0.9198474896165898,2.044831104134907,2.554406343948042
[O][=C][Branch2][Ring1][=Branch1][N][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1],O=C(NCCSC1=NN=CN1C2=CC=CC=C2)C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1270>,3.055900000000001,0.6531103721264697,2.1276895467294903,1.1378623139028585
[O][=C][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][C][C][C][C][Ring1][Branch1],O=C(CCC1=NC2=CC=CC=C2[NH1]1)NCC3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D12E0>,2.8019000000000007,0.8782031291022961,2.0120263560172535,2.3789892894942275
[N][#C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Ring2],N#CC1(NC(=O)CNC(=O)CC2=CC=CC=C2)CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1350>,1.6879799999999994,0.867688856938454,2.145738741802143,2.1927055428901268
[C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][Ring2],CC1=CC(C(C)NC(=O)NC(C)C2=CC=C(O)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D13C0>,2.8100200000000006,0.8073117243103232,3.007286577895469,1.0292720436561469
[O][C][C][N][C][Branch1][#C][C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O],OCCN1C(CCC2=CC=CC(C#N)=C2)=NC3=CC=CC=C3C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1430>,2.04568,0.7803785523694546,2.1488194260635964,1.753073335783677
[C][C][=Branch1][C][=O][C][=C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring1][S],CC(=O)C1=C[NH1]C(C(=O)NC2=CC=CC(C#N)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D14A0>,2.3412800000000002,0.8229987204914097,2.1308884210281462,1.9841051814289017
[O][=C][O][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C1OC(=O)N(CCN2CCOCC2)C1C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1510>,1.1777999999999997,0.6173200477428833,2.889068186347874,0.19753205236654248
[C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][#C],CC(C)N(C)S(=O)(=O)C1=CC=CC(CN2CCOC(C)(C)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1580>,2.3263000000000007,0.8253706509796643,2.3892653312864898,1.737587923611832
[C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][Ring2],CC1CCN(C(=O)C2CCCN2C3=NC=CC=C3F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D15F0>,2.4480000000000004,0.8395463546510147,2.7479143836592215,1.449817389595852
[C][O][C][C][=N][O][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2],COCC1=NOC(CCNC(=O)C2=CC=CC(C(=O)OC)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1660>,0.9751000000000003,0.7584203338840136,2.115832790725312,1.6762688786947564
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][#Branch1][S][C][C][C][C][#N][=N][N][=C][Ring1][O][C],CCC1=CC=CC=C1N2C(SCCCC#N)=NN=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D16D0>,3.5340000000000016,0.6018572760945214,2.357689884460264,0.6515964960123433
[O][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][Ring1][=N][=O][N][C][C][C][C][C][C][Ring1][=Branch1],O=C(CN1C=NC(C2=CC=C(Cl)C=C2)=CC1=O)NC3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1740>,3.0126000000000017,0.9259879384065818,2.0966535397759714,2.533286152256937
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][O][Ring1][=C],COCCNC(=O)C1=CC=2C(=O)C3=CC=CC=C3OC=2O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D17B0>,1.9153999999999998,0.7412303687588794,2.3637574665860157,1.342394377208381
[N][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2],N1C=CC=C(SCCCNC(=O)C2=CC=CC=C2F)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1820>,2.6796000000000006,0.7921149860769914,2.836062479741571,1.124512450643386
[C][N][C][=N][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O],CN1C=NN=C1S(=O)(=O)C2CCN(C(=O)C(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1890>,0.23579999999999957,0.7977901658918961,2.784464513340154,1.2044863161193264
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],CC(C)OC(=O)CNC(=O)NC1=CC=NN1C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1900>,2.4614000000000003,0.8182464411673751,2.3724516450279474,1.718780560808928
[C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O],CCOC1=CC=C2C(=C1)CCNC2CCNS(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1970>,1.2114000000000003,0.8282631006938715,2.901118866310796,1.2401966371585615
[C][C][Branch1][C][C][C][C][=N][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=N][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1],CC(C)CC=NN1C(=O)C(NC(=O)C2=CC=CN=C2)=NC3=NC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D19E0>,2.3188000000000004,0.7115164547242699,2.9511161838503543,0.6064660897709953
[C][C][O][C][=C][C][=C][Branch1][P][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][C],CCOC1=CC=C(C(O)CNC2=CC=CC=C2OC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1A50>,3.2394000000000016,0.8205670072923882,2.18428361442845,1.9185514220334907
[C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],CC(NC(=O)C=1C=NN2C=CC=NC=12)C3=CC=CC(C(F)(F)F)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1AC0>,3.2391000000000014,0.7998534135727263,2.7110134868496747,1.288253581013957
[C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][C][=Ring1][S][S][Branch1][C][N][=Branch1][C][=O][=O],C=1COC(C2=CC=C(S(C)(=O)=O)C=C2)=CC=1S(N)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1B30>,0.6336000000000003,0.8809675431361058,2.868720923596566,1.5361167920839627
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C],CC(=O)C1=CC=C(NS(=O)(=O)C2=CC=NC(C#N)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1BA0>,1.95668,0.8699636418554028,2.1337128512014,2.2161053580756134
[O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][C][=C][N][=C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=Ring1][#C],O=C(C1CC1)N(C)CC2=CN=C3SC=C(C4=CC=CC=C4)N3N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1C10>,2.617800000000001,0.9238942262340403,3.301461451295512,1.3180096798746899
[C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][Cl],CNC(=O)C1=CC(NC(=O)N2CC(C)CC(C)C2)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1C80>,3.2094000000000014,0.8775564857249285,2.7753320175678287,1.6124504110568143
[C][C][C][=C][N][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Branch1][C][C][N][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2],CCC1=CNN=CC(C(=O)NCC2C=CC3=CC=CC=C3C2=O)=C(C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1CF0>,2.9887200000000007,0.7915677691716613,3.588172477222937,0.3696663686353694
[C][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][#Branch2],CC(NC(=O)COC1=CC=CC=N1)C=NC(C(C)(C)C)=CS,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1D60>,2.8532000000000015,0.6253863792205476,3.824820274259962,-0.697888378157224
[C][#Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][O],C1(C=CC=N1)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1DD0>,0.19449999999999995,0.4274496450571668,4.628102811289591,-2.490854586003757
[C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=N][O][Ring1][Branch1],CC=1N=CSC=1CNC(=O)C2CCC(=O)N2CC3=CC=NO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1E40>,1.24692,0.8954059229261141,3.327085768765456,1.1499438458651143
[C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2],CN1C(=O)C2(CCN(C(=O)C3=CC=C(F)C=C3)CC2)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1EB0>,2.9761000000000015,0.8020066408192669,2.5963319885694567,1.4137012155268778
[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],COC1=CC=CC(=C1OC)C(=O)NCCNCC2=CC=CC=C2OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1F20>,2.2319999999999993,0.6829463069441253,1.8836152665125034,1.5311162682081232
[C][C][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCC(C#N)NC(=O)C(C)NC(=O)NC1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D1F90>,2.2683799999999996,0.7784923272526341,2.832148353687735,1.060313282575435
[C][C][=C][C][=C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][C][=Ring1][=N][Ring2][Ring1][C],CC=CC1=CNC(=O)C=2C=C(C(=O)N3CCOCC3)SC=21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0040>,2.0951000000000004,0.9238901716626107,2.802636697355247,1.8168141609578061
[C][C][=N][C][=C][C][=Branch1][C][=O][NH1][N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=N][Ring1][=Branch1],CC1=NC2=CC(=O)[NH1]N2C(C)=C1CC(=O)OC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D00B0>,1.18254,0.7334192385048572,2.7225561115291885,0.9445400809950977
[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][S][C],CC(=O)NC1=CC(C(=O)N(C)CC2CCCC2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0120>,3.215620000000002,0.9245050018731966,1.9313537000077652,2.691171309358218
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],CC1=NOC(C)=C1CN(C)C(=O)NC2(C)CC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0190>,2.9903400000000016,0.9474395293048167,2.7253065998969106,2.0118910466271727
[C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],CCCNC(=O)CSC1=NC=CN1C2=CC=CC(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0200>,3.144000000000001,0.8339022548529753,2.043627536282127,2.1258837379827495
[C][C][=N][N][Branch1][C][C][C][S][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][#Branch2][=C][C][Ring2][Ring1][Branch1][=Ring1][P],CC1=NN(C)C=2SC(C(=O)N3CCCC(O)(CO)CC3)=CC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0270>,1.2927199999999999,0.872860303395339,3.105659214991361,1.2586423019853346
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C],CC(=O)C1=CC=CC(OCC(=O)NCC2=CC=NC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D02E0>,1.9793999999999998,0.8235414171544532,1.7882120819706309,2.329495003801635
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Branch1][C][C][C],CCOC(=O)C(NC(=O)C1=CC=C2C=CC=CC2=N1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0350>,2.5523000000000007,0.8616652679996248,2.367566150678625,1.9407601893194988
[C][=C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][N],C=CCNC(=O)CSC1=NN=C(C2=CC=CC=C2F)N1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D03C0>,1.1922999999999997,0.4755455264128681,2.285653268411309,0.09207436365303145
[O][=C][C][C][C][C][=C][Ring1][=Branch1][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Ring1][#C][=O],O=C1CCCC=C1C=NC2=NC(C3=CC=NC=C3)=NN2C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0430>,1.7600999999999993,0.6329439223218489,3.476669991802141,-0.3119503801928962
[C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CCC1CN(C(=O)C2=CC=C(C(=O)N(C)C)C=C2)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D04A0>,3.5424000000000024,0.8669859247405972,2.5459735327738997,1.7889560909290863
[C][C][Branch1][#C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=N][C][=N][C][Branch1][C][N][=N][N][Ring1][#Branch2][Ring1][=Branch1],CC(NCC1=CC=C(Cl)C=C1C2)=CC=NC3=NC(N)=NN23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0510>,2.2712999999999997,0.7819997892408737,3.849020537505373,0.06097840869899507
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring1][P][=N][Ring2][Ring1][Branch2],CC1=CC(C)=NC(N2CCC(C3=NC(C4=CC=NC=C4)=NO3)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0580>,2.922440000000001,0.7271006222184948,2.4031578747435542,1.2323452363489196
[O][=C][Branch2][Ring1][#Branch1][C][O][C][=C][C][=C][C][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][Ring1][=N][Ring1][Branch2][N][C][C][C][Ring1][Ring1],O=C(COC=CC=CC1=C(O)C=CC(F)=C1)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D05F0>,2.3534000000000006,0.6196235057542684,2.786767443743086,0.311350085028256
[C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N],CN1N=CC=C1CNC(=O)N2CCOC(C3=CC=C(Cl)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0660>,2.3566000000000003,0.9370259748549927,2.8167785082288557,1.8683513660461077
[C][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1],CC(CC1=CC=CC(Cl)=C1)NS(=O)(=O)C2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D06D0>,2.3694000000000006,0.9067944045229873,2.769765844332774,1.764206178282163
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1],CC(C)NC(=O)CNC(=O)CNC(=O)NC1CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0740>,0.25910000000000055,0.5657537783116462,2.025206750405646,0.8035621411525851
[C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CCCN(C)C(=O)NCCNC(=O)C1=CC=C(F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D07B0>,1.6068999999999996,0.7781589603528718,1.8812313198669628,2.009563481897396
[C][C][N][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring1][P][=O],CCNCC(C(=O)NC(C)(C)C1=CC=C(S(N)(=O)=O)C=C1C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0820>,0.17232000000000164,0.6111132351472158,2.806169003743065,0.24939717199301414
[C][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2],COC1=CC=C(C)N=C1NC(=O)COC2=CC=CC(C#N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0890>,2.2878,0.9149306128854439,2.11153650855152,2.4631165558756996
[C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1],CC(C(=O)NC1C2CC3=CC=CC=C3C21)C4=CC=CS4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0900>,3.3061000000000016,0.9197319769916091,3.6795978703606735,0.9190620145973725
[C][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][O][N][=Ring1][Branch1][N][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2],C1C=CC=C1N2N=CCC=C(S(=O)(=O)CC=3C=CON=3)N=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0970>,2.3333000000000004,0.8474548431631154,4.386392587955989,-0.14911837214041146
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C],CC(=O)C1=C(C)[NH1]C(C(=O)N(C)CC2=CC=CC=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D09E0>,3.106340000000002,0.8770498019251823,2.011795037436219,2.373453972189693
[C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][N],COCCNS(=O)(=O)C1=CC=C(CCC(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0A50>,2.59,0.7873787021026978,1.9998619492375926,1.9370315612758962
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],CCOC(=O)C1=CC(Br)=CC=C1N2N=NC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0AC0>,3.359700000000002,0.6826732223908222,2.0654836204321683,1.3478824915219425
[O][=C][Branch1][=C][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N],O=C(NCCNC(=O)C1CC1)N2C=CC=CC(CCC(F)(F)F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0B30>,2.834100000000001,0.7287286450002795,3.236674062731277,0.40696916227012014
[O][=C][Branch1][=N][N][C][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],O=C(NCC1(CO)CCCC1)C2=CC=CC=C2Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0BA0>,2.731600000000001,0.8979720014138095,2.20317560698739,2.2866844000816577
[C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][O][Ring2][Ring1][Branch1],CC=C1C(NC(=O)CN2C=NC3=C2C(=O)N(C)C(=O)N3)C=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0C10>,-1.1720999999999988,0.737708954808343,4.138845728508577,-0.4503009544668619
[N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],NC(=O)C1CCCN1S(=O)(=O)CC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0C80>,0.6052000000000006,0.8800439309090617,2.5938718369290825,1.806347817616226
[C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Branch1][O][C][C][C][C][=C][Ring1][O][Cl],CCNC(=O)C1=CC(Cl)=C(OCCC)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0CF0>,3.531900000000002,0.8929433441834815,1.9084016988974124,2.5563150220199953
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring2][Ring1][Ring1],CC(=O)C1=CC(C(=O)OCC(=O)NC2=CC=C(Cl)C=C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0D60>,3.3996000000000013,0.6700866032339944,2.0162454252825963,1.3341875908873755
[C][C][C][Branch1][Ring1][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][#Branch2],CCC(CC)C(CNC(=O)NC(C)C(C)C1)C=NC2=CC=CN=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0DD0>,3.552500000000002,0.8785872033461299,4.9634534159676855,-0.570517399237036
[C][C][C][N][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][Branch1][=Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][Branch1][C][C][=N][Ring1][=Branch1][S][Ring1][P],CCCNC=NN=C(SC(C1=CC=CCC2)=C1NC(C)=N2)S,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0E40>,3.0678000000000014,0.23785450584001228,4.8680901643698515,-3.67881763516979
[C][C][=N][O][C][=N][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1],CC1=NOC2=NC=C(C(=O)N3CCN(CC(=O)N4CCCC4)CC3)C=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0EB0>,0.9114199999999999,0.8120602488910112,2.3596805663867375,1.7006206780683186
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][S],CS(=O)(=O)C1=CC=C(C(=O)OCC2CCCCO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0F20>,1.8160000000000003,0.7929808676723861,2.3749254597173906,1.5899788786445397
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][S][Ring2][Ring1][Ring1],CC(C)C1=CC=C(C2=NC=C(CNC(=O)CC(C)(C)C)C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D0F90>,4.500600000000004,0.8529479764123281,3.2027679725713725,1.0619719094902678
[C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1],COC=C1C=CC(=O)C(COC2=CC=CC(C)=C2)=COC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC040>,3.457220000000002,0.7985817106692631,3.5987626918423796,0.3941458615039357
[C][C][C][N][Branch2][Ring1][=Branch2][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][C][O][C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1],CC1CN(CCN(CC2=CC=CC=N2)C3CCCOC3)CC(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC0B0>,2.1718,0.7975757120463085,3.5023072974770875,0.48557126275445484
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(C)C(=O)COC1CCC2C1OCCN2CC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC120>,1.5231999999999994,0.8254812857411511,3.4226668938335294,0.7047395348722265
[C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCCNC(=O)CSC1=NN=NN1C(C)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC190>,1.9006999999999998,0.7910012278862384,2.635970537505374,1.319035601925818
[C][C][C][C][N][N][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Branch1][Ring2][C][C][#N][C][Ring1][P][=O],CCCCN1N=CC(C2=CC=C(OC)C=C2)=C(CC#N)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC200>,2.7850800000000007,0.8218805107057682,2.3677037542090886,1.7416987993197521
[C][C][Branch1][C][C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][O][C][=C][Ring1][=N][O][Ring2][Ring1][C],CC1(C)OC=NC(N2CCOCC2)=C(CO)C=CO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC270>,0.8474000000000002,0.8040336521514756,4.262628937520799,-0.24246067676342076
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][F],COC1=CC(OC)=C(NC(=O)CCN2C=C(C)C=N2)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC2E0>,2.376620000000001,0.8896098761663151,2.1653980104023933,2.282651370429182
[C][C][=N][N][=C][S][C][Branch1][=N][O][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=N][N][Ring1][=N][C][Ring1][P][=O],CC1=NN=C2SC(OCC3=NC(C)=CS3)=NN2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC350>,1.1983399999999997,0.7217852544541816,2.9859258666014394,0.6230004056694689
[C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][Ring2][Ring1][Ring2],CSC1=CC=C(NC(=O)C2=CN(C3=CC=CC=C3)N=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC3C0>,3.241500000000001,0.7515698447683938,1.9781635014175265,1.7796857224244427
[C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][O][C][=C][C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][=N],CN1C2=NC=CC=C2C(=O)NC13C=CC(OC4=CC=CC=C4F)=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC430>,2.1014,0.8722559848683249,4.100279079608001,0.2610008447336236
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][=N],CC=1C=COC=1C(=O)NC2CCN(C3=C(F)C=CC=C3F)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC4A0>,2.8749200000000013,0.9481845031016835,2.8108333759969355,1.930089139511482
[O][=C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(CC1=CC=C2C(=C1)OCO2)NCC3=NN=NN3C4=CC=C(Cl)C=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC510>,1.9032999999999993,0.736229843302703,2.201966533998073,1.4791826825154422
[O][=C][C][N][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][N][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C1C=2N=NC3=NC=NN3C=2C=CN1C4=CC=CC=N4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC580>,0.21839999999999993,0.4886266837713564,2.7459968905674472,-0.3028634717106655
[C][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][P],CC(C)C1=NN=C2N1CCN(C(=O)COC3=CC=CC(F)=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC5F0>,1.9618,0.8644992988917031,2.3394162226779756,1.9830802717805396
[C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][S][Ring1][P],CC(=O)NC1=NC(C(=O)N2CCCC3=CC=CC=C32)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC660>,2.6945000000000006,0.9273583400772087,2.1256451588937093,2.5111465414923346
[C][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][Ring1][=N],COCCNS(=O)(=O)C1=CC=CC(C(=O)N(CC)CC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC6D0>,1.0932999999999997,0.7289640254524032,1.9656241872337894,1.6791959400282268
[O][=C][Branch1][P][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1],O=C(C1=CSC(C2=CC=CS2)=N1)N3CCOCC3C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC740>,3.122600000000001,0.8724338979547908,3.02426068882946,1.3379088009444935
[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][NH1][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][Ring1][O],CC1CCCC(C)N1C(=O)C[NH1]C(C)=C(C(=O)OCC)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC7B0>,2.6126000000000005,0.6050297045009856,3.4877139341258463,-0.46256541162091835
[C][C][=N][C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][S][Ring1][S][=C][Ring2][Ring1][#Branch1][C],C1C=NC1(C=C2C=CC(C(=O)NCC3(C)CCCO3)=CS2=C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC820>,2.9434000000000013,0.8048476388029543,5.354328607120243,-1.330090413105471
[O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Ring1][P],O=C(C1=CC=CO1)N2CCCC3(CCN(C4=CC=CN=C4)C3=O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC890>,2.3339,0.849804649431361,3.3981347700045603,0.8508884771522451
[C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Branch1],CNC(C1CC1)=NC2=CC(S(=O)(=O)NC3=CC=NC=C3)=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC900>,2.5418000000000003,0.6517118718250362,2.6807132640980935,0.5778460950270876
[C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][Branch2][C][N][C][Branch1][C][C][C][C][C][Ring1][O],CC(=O)C1=C(F)C=CC=C1N2CCC(CNC(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC970>,3.242700000000002,0.8456192801236965,2.2145982623419833,2.013498138276499
[C][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][=C][Ring1][#Branch2][C][Branch1][C][C][C][Ring2][Ring1][Ring2],CC1CCC(NC(=O)C2=CC=C(NC3CC3)N=C2)C(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DC9E0>,3.2104000000000017,0.8937791241516873,3.1466174285029593,1.3222781922554772
[C][C][S][C][=Branch1][C][=O][N][Branch1][#C][C][C][=N][C][Branch1][Ring2][C][O][C][=N][O][Ring1][Branch2][C][=Ring1][#C][C][Branch1][C][F][Branch1][C][F][F],C1CSC(=O)N1CC2=NC(COC)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCA50>,0.8848,0.7631957567413441,2.79501254635311,1.0209662373536101
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][Branch1][C][C][C],COC(=O)C1=CC=C(Cl)C=C1NC(=O)CCOC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCAC0>,2.880200000000001,0.820383995234228,1.9559927184683623,2.1459272577027777
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][N][C][=N][Ring2][Ring1][#Branch1],COC1=CC=C(C(=O)NC(C)C2=CC=CC(CN3C=CC=N3)=C2C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCB30>,3.067520000000001,0.72542420569036,3.1830208293061855,0.4441001991456148
[C][C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CCN(CC1CCCCO1)C(=O)C(C)SC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCBA0>,3.723900000000003,0.7466037565001358,2.9315106031757683,0.8015081793249106
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O],CS(=O)(=O)NC1=CC=CC=C1C2=NC(C3=CC=CC=C3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCC10>,2.775100000000001,0.7998893314358125,1.9279848956482937,2.071461761530769
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][O][Ring1][Branch1],CC(=O)C1=CC=C(Cl)C=C1NC(=O)CCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCC80>,3.7069000000000027,0.8544164289331971,1.9397265096771523,2.3323556349888337
[N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S],NCC(=O)C=CC1=C(OC2CCCC2)CC3=CC=CC=C3O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCCF0>,2.8763000000000014,0.8492636223061062,3.227577684109834,1.0187404274206973
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P],NS(=O)(=O)C1=CC=C(CCNC(=O)C2CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCD60>,1.5729999999999988,0.8648561248961978,1.7968746504191326,2.527405974061856
[O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][S][N][=N][Ring1][Branch1],O=C(NC1=CC(C2CC2)=NN1C3=CC=C(F)C=C3)C4=CSN=N4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCDD0>,2.9926000000000013,0.7984706199560553,2.502974738008799,1.4893783617714775
[C][S][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][N][Branch1][C][C][N][=Ring1][O][C][=C][Ring1][P],CSC=CC=CC=1CC=C(NC(C)=O)N(C)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCE40>,2.0883,0.7781216574713765,4.076494077748903,-0.18588579039202013
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2],CCC1=CC=CC=C1NCC(=O)C2=C(F)C(F)=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCEB0>,4.100200000000003,0.38972619065498687,2.2899487418021405,-0.34131778852720607
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][P],C1C2=NN(C)C(C)=C2C=CC=NC1NCC3=CC=C4C(=C3)OCO4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCF20>,2.2132199999999997,0.9402686785727001,3.706235435348937,0.9951079575145636
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1],COC(=O)C1CCN(C(=O)C2=CC=C(N3C=CN=N3)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DCF90>,1.2925,0.7979374638148757,2.1928460666801275,1.796841252394251
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][P],CCS(=O)(=O)C1=CC=CC(NC(=O)NC2C=CC(C#N)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0040>,2.06998,0.8298166357144435,3.600081916685104,0.5490012618871134
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Ring1][=C][Ring1][P],CCN(CC)C(=O)CNN=CCC(=O)N(C)C=C(C(=O)OC)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E00B0>,0.3555000000000015,0.2857516568451502,3.4732946279549175,-2.044536343729167
[C][C][=C][C][Branch2][Ring1][C][S][C][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=N][C][Branch1][C][C][=N][Ring2][Ring1][C],CC1=CC(SC2=NC3=NC=C(Cl)C=C3[NH1]2)=NC(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0120>,3.169340000000001,0.734605676100675,2.7705848409604155,0.9024435395429595
[O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C],O=S(=O)(C1=CC=CS1)N2CCN(CC(O)C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0190>,1.7880000000000003,0.891181457619009,2.485561725012074,1.9703455630829714
[C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O],COC(C1=CC=C(N)C=C1)C2=NC(C)=CC(S(N)(=O)=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0200>,1.35542,0.8289207660456293,3.0558535739426205,1.0887502562855254
[Cl][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring1][P],ClC=CC(=O)[NH1]C(C1CC2=CC=CC=C2O1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0270>,1.8360699999999999,0.4779489046116374,3.498471575836838,-1.1087270527786508
[C][C][N][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][=C][Branch1][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][Ring1][=Branch2][N][=N][C][=N][C][Ring1][P][=N][Ring2][Ring1][=Branch1],CCN1C=CC(N2CCC3=C(C)N=C(N(C)C)N3N=N)C=NC2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E02E0>,1.46929,0.8005131627273113,5.6143478533157065,-1.6117820396791496
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S],O=C(NC1=CC=CC=C1)N2CCN(C(=O)NC3=CC=C(F)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0350>,3.207300000000002,0.8801257310743645,1.7197454669458736,2.680883188425949
[C][N][Branch1][#Branch2][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl],CN(CCC1=CC=CS1)CC2=C(F)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E03C0>,4.215100000000003,0.7942453976572885,2.1085982314217784,1.8626287568646642
[C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][=C][C][=C][S][Ring1][Branch1],CC(C(=O)NCC1=CN(C2=CC=CC=C2)N=N1)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0430>,2.7487000000000013,0.787830340270464,2.762769216567653,1.1763824847846664
[C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][Ring1][N][=O][C][C][Branch1][C][C][C][#N],CCN(C(=O)C1(C)OC2=CC=C(C)C=C2NC1=O)CC(C)C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E04A0>,2.0927999999999995,0.8625433236377702,3.4968932720645824,0.8158233461242688
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2],O=C(NCC1=CC=C(Cl)C=C1)C2=CN3C=CC=NC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0510>,2.3126999999999995,0.8036556032827461,2.1326348935346733,1.885643122879057
[C][C][=C][S][C][=N][C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Ring2][=Ring1][P],CC1=CSC2=NC(CNS(=O)(=O)C3=CN(C)N=C3C)=CC12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0580>,1.56962,0.9119057871660003,4.193396028221555,0.3661329076084474
[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=C][C][Ring1][#Branch2][=O],CC(C)C(C)(C#N)NC(=O)CN1C=NC(C2CCC2)=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E05F0>,1.5652799999999996,0.8938391311631573,3.168921864872738,1.3002737909430486
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][#N],CN(C)C(=O)CN(C)C1=NC(C2=CC=NC=C2)=CC=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0660>,1.5396799999999997,0.8551487370224574,2.5167725375146244,1.7589711475976628
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(NC(=O)NC1CCN(CC(F)(F)F)C1=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E06D0>,2.21,0.8896175557831494,2.992450521266992,1.455637257648755
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][=N][N][=C][Ring2][Ring1][=Branch1][N],CC=C1C=CC(C(=O)NC2=CC=C(CN3C=CC=N3)C=C2)=NN=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0740>,2.0992,0.8956067030533132,3.0612627746381804,1.4167707406283858
[C][C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],CCOC(=O)CCCC(=O)C1=CC=C(C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E07B0>,2.9111200000000013,0.561175847422552,1.6303176456703454,1.1755615914424147
[O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][NH1][Ring1][Branch1],O=C(C1=CC=C(C2=CC=CC=C2F)O1)CCCCC3=CC=C[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0820>,5.009500000000003,0.49225388820804905,2.4118972930656817,0.049372147974563685
[C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N],CC1=CC=NC=C1NC(=O)C2=CN(CC3=CC=CC=C3)N=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0890>,2.28212,0.8006743350824019,2.046706289879065,1.9566653855329443
[C][O][C][C][C][N][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O],COCCCNC1=C(N)N(CC2=CC=CC=C2)C(=O)[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0900>,0.6154999999999994,0.6506740205812709,2.1414375011073528,1.1119326017990017
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][C][=C][S][C][=Ring1][Branch1],CS(=O)(=O)N1CCCN(CC=2C=NN(C)C=2)C1C=3C=CSC=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0970>,1.6477,0.8490710691479257,3.3334966514311777,0.9118586943084512
[O][=C][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Branch1][=O],O=CC1=CC(C2=CC=C(F)C=C2)=NN1CCN(C3CC3)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E09E0>,2.1224999999999996,0.736126174258072,2.9527394862190146,0.7278913850713455
[O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][C][C][O][C][Ring1][Branch1][C][O][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F],O=S(=O)(NCC1CCOC1COC2CC2C3)CC(Cl)=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0A50>,2.0958,0.7136225936490517,5.422886518535963,-1.8547735502907043
[C][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1],C1NN=C(C(=O)NCC=2N=C(C)SC=2C)C=C1C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0AC0>,2.01194,0.90412320253806,3.424334346197745,1.0962816664925548
[C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Branch1],CC1CCN(C(=O)CCC2=NN=C(C3=CC=CS3)N2C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0B30>,2.734700000000001,0.870767633948157,2.3434530275164267,2.010385142224359
[C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][NH1][Ring1][N][C][=C][Ring2][Ring1][#Branch1][C],CC1=CC=C(OCC(=O)NC2=NC(C3=CC=C(C)C=C3)=N[NH1]2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0BA0>,3.414460000000002,0.748059714951601,2.1577359599036203,1.5825626148543845
[C][O][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][Ring1][N][Br],COC(=O)CC1=NC=C(Br)C=C1C(O)CBr,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0C10>,1.9878999999999998,0.6646108988244278,3.2474422439421087,0.07561225018003048
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=N][O][Ring1][=N][=N][Ring2][Ring1][Ring1],CC(C)OC1=CC=CC(C2=NC(C3=CC=C(C#N)C=N3)=NO2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0C80>,2.852480000000001,0.7304445174303457,2.576846066680128,1.0753765204716004
[C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2],COCC(C)NC(=O)CSC1=NN=NN1C2=CC=CC(OC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0CF0>,0.9140999999999995,0.7160433330872631,2.6112556249582806,0.9689610404780349
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring2],CC1=CC(C)=C2C(NCCN3CCOCC3)=NC=NC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0D60>,1.9907399999999997,0.931264685448997,2.3233677061824842,2.3329557210625005
[C][N][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][=N][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][Ring1][=N][=N][Ring2][Ring1][=Branch1],CN1C=CC(NC(=O)CC2=NOC(C3=CC=C(C#N)C=C3)=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0DD0>,1.5229799999999998,0.7822109024678804,2.430127185561247,1.480927326778155
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(CC(C)C(O)C2=CC=C(F)C(F)=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0E40>,4.024700000000003,0.8451378239377983,2.902012786798597,1.323676332890395
[C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch2],CCCCN(CC)C(=O)C1=CC=C(N=C1N)CCCCCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0EB0>,4.048800000000003,0.6633961348210674,2.266309233605421,1.050671440499916
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][S][C],CC(=O)C1=CC=CC(NC(=O)C2=CC=C(C)C=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0F20>,3.7583400000000022,0.8605916634833272,1.5705488023844438,2.7324095150321916
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2],COC1=CC=CC=C1CCNC(=O)C=2C=C3SC=CN3C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E0F90>,2.9819000000000013,0.7869197541803821,2.491836810848312,1.4427619600535984
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F],CC1=CC=CC=C1C2NC=C(O)C=C2C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7040>,3.527420000000002,0.8042083396958949,3.559785058920692,0.4612566395587825
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1],CN(C(=O)CCCNC(=O)OC(C)(C)C)C1CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D70B0>,3.0824000000000016,0.7935026047857059,2.1384970617277173,1.8290159622008124
[C][O][C][=Branch1][C][=O][C][C][=N][NH1][C][=Ring1][Branch1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],COC(=O)C=1C=N[NH1]C=1SCCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7120>,2.5311000000000003,0.664271152549267,2.3698775561694294,0.9514782065769056
[C][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2],CC1=CC=CC(NC(=O)C(C)C)=C1NC(=O)C2CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7190>,3.328120000000002,0.8844329160383798,1.9517029748786179,2.4704616053132815
[N][#C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][N][=O][C][=C][Ring1][P],N#CC1=CC=C(C(=O)NCC(=O)NCC(N)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7200>,-1.1104199999999995,0.6202102572784474,1.901535925773036,1.199515360619201
[C][C][=C][C][Branch2][Ring1][N][C][C][=C][Branch1][C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Ring1][=N][=C][Ring1][=C][N][=N][O][Ring2][Ring1][Branch1],C1C=CC1C23C=C(O)N(C)C(=O)C=CC=CC2=C3N=NO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7270>,2.641800000000001,0.46436982591436393,5.445318296029682,-3.123469166457862
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F],CC1=N[NH1]C=C1CNC(=O)CCCC2=CC(F)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D72E0>,2.6354200000000008,0.8599130307778622,2.6021528772770193,1.697412276612292
[C][C][Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][S],CC(C1)CCN(C(=O)CC2=CC=CC(O)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7350>,2.5833000000000013,0.8722795933332425,2.2789881801691934,2.082409786497019
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],CC(=O)NCCNC(=O)C1=CN=CC(Br)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D73C0>,0.71,0.8007641864891761,2.045682041781898,1.9581388906639825
[C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1],CC(NC(=O)C1=CC=CO1)C(=O)NC2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7430>,1.8468,0.8713947932406484,2.4055597067515677,1.9514142594516741
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][C][#N][=C][S][Ring1][S],CC1=CC=CC=C1C2=NC(CN3N=NC(C(N)=O)=C3C#N)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D74A0>,1.7288999999999999,0.7853978062521242,2.6768342108436567,1.2501548204169644
[O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N][N][C][C][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][=Branch2],O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N3CCC(CO)C(O)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7510>,1.6891999999999994,0.8922931084151313,2.932900360692159,1.528565181383498
[C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][C][=N][N][Ring1][=Branch1][C][=Ring1][=Branch2],CC1=CC=C(C2=NC=CO2)C=C1NC(=O)CSC3=NC4=CCC=NN4C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7580>,3.266720000000001,0.8966655081798862,3.4004094489778307,1.0829180919216004
[C][O][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N],COCCNC(=O)CN(C)C(=O)C1=CN=C(CC2=CC=CC=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D75F0>,1.5685000000000007,0.7359670170918262,2.271222849238887,1.408612236220244
[C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][N][Ring1][=N][C],CC(=O)N(CCC1=CC=CC=C1)C2CN(C(=O)C3=CC=CS3)CCN2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7660>,2.553000000000001,0.8113373127750312,2.965018838969298,1.0916677249058573
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],COC(=O)C(C)NC(=O)NC1=CC=C(F)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D76D0>,1.6477999999999995,0.8098967529861981,2.308622343065119,1.7408614218658718
[O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][C][Ring1][Branch2][=C][Ring1][N][C][C][C][C][C][O][C][Ring1][=Branch1],O=C(NC1=CC=C2N=C(C3CC3)SC2=C1)CC4CCCOC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7740>,3.928900000000003,0.9295793131484851,2.7542797934907295,1.8936167722516961
[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][Branch2][Ring1][#Branch1][C][=N][C][C][=C][N][Branch1][Ring2][C][C][C][=Branch1][C][=O][N][=C][Ring1][=Branch2][N][=Ring1][#C][Ring1][P][C][Ring2][Ring1][Ring2],CCOC(=O)CCCCC(C=NCC=CN(CCC)C=O)PC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D77B0>,3.239700000000002,0.16005195884510268,4.654901414124136,-3.854641619898622
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=N][N][Ring1][Branch1][C][=C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C],CCCCN(C)C(=O)C1=C2C(=NN1C)CC=C2C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7820>,3.277800000000002,0.8528775377103425,3.096806807245356,1.1675808813063568
[C][C][C][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][Ring2][Ring1][C][=O],CCCCC1C(=O)C(C#N)C=NC=CC(NC(C)C)=CNC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7890>,2.05538,0.7590035549619211,5.02625469108745,-1.2312369162778447
[N][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring1],NC(=O)CCN1C=C(C2=CC=C3C(=C2)CCCC3)C4=CC=CN=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7900>,3.4575000000000014,0.8003090707057583,2.3363404962977103,1.665204857231081
[C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C][C][N][C][C][Ring2][Ring1][#Branch1],CC(C1NC(=O)C2=CC=C(N3C=CC4=CC=CN=C43)C=C2)CNCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7970>,2.7533000000000003,0.7742204074883734,3.105352320161507,0.76574971728036
[C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][N][C][Branch1][C][C][=O],COC1=CC(NC(=O)C2=C(C)N=C3C=CC=CN23)=CC=C1NC(C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D79E0>,2.862020000000001,0.7659284776220694,2.1248376098030164,1.7048047783073308
[C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1],CC(O)(CNC(=O)C1=CC=CC(OC(F)F)=C1)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7A50>,2.1788000000000007,0.8419456400223191,2.7142239945159243,1.4955042055956707
[C][#C][C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][C][Ring1][P],C#CCN1CCN(C(=O)NCC=2N=C(C)SC=2C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7AC0>,1.2203400000000002,0.8523104278532851,2.688783652534294,1.5727684867321319
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][O][C][Ring1][Branch1][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][Ring2][Ring1][C],CC1=NN(C)C=C1C(=O)NCCC2C(COC2CN3C=CC=CC3=O)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7B30>,1.3614199999999992,0.845761894985703,3.822837317287626,0.405972157640889
[C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][Ring2][Ring1][Ring1][N],CC1=NN=C(SCC(=O)NC2=CC=C3C(=C2)OCO3)N1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7BA0>,0.7598199999999997,0.634404424277801,2.2201128512013995,0.9519092701876053
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1],CC1=CC=C(C(=O)NC(C)C=2C=C(C)SC=2C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7C10>,4.472780000000004,0.8861341719415006,2.465359891951822,1.9653109677556806
[C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Branch1][C][C][=Branch1][C][=O][=O],CC1=CC=C(NC(=O)C2CCCCC2)C=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7C80>,2.917320000000001,0.9322272891128555,1.8580881030837446,2.8030483424805324
[O][=C][C][C][Branch1][P][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],O=CCC(C(=O)OC1=CC=C(Br)C=C1)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7CF0>,3.4242000000000017,0.4937638095892865,2.570741306736144,-0.1019222587897115
[N][C][=C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][N][=C][N][=C][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1],NC1=C(C2=CC(F)=CC=C2F)N=CN=C1N3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7D60>,1.8406,0.9147165436078576,2.371299005047554,2.2022837129917336
[O][=C][Branch1][P][N][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(NCC=1C=CSC=1N2C=CC=C2)NC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7DD0>,3.999600000000002,0.7508451158017188,2.2854507610329104,1.4687748179756834
[C][C][N][Branch1][Branch2][C][C][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],CCN(CC(C)C#N)C(=O)CC1=C(C)OC2=CC=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7E40>,3.291900000000002,0.8461557829536623,2.9376763995743396,1.2931025151939721
[C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring1],CC1=CSC(NC(=O)COC2=CC=CC=C2C(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7EB0>,3.5924200000000024,0.9151541458935625,1.9290031580288005,2.646767571439012
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][O],CC(C)(C)NC(=O)CNC(=O)NC1=CC=C(C2=NC=CS2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7F20>,2.846300000000001,0.8048718105235467,2.1543950614353733,1.8699639911823605
[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1],CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)NCC=2N=CN(C)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9D7F90>,1.8995199999999997,0.932464148259564,2.5975504758308254,2.0647702654669944
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][=C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring1][N][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(CNC=2C=CN(C3=NC=CC=C3Cl)N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0040>,3.541400000000001,0.7823231783401764,2.1368707129559876,1.7747451787448942
[C][N][Branch2][Ring1][C][C][C][=N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2],CN(CC1=NC=2C=CSC=2C(=O)[NH1]1)C(=O)C=3C=C(C4CC4)ON=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F00B0>,2.1222,0.7908622243977317,2.846313264098095,1.1079978578905636
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=N][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O][N],COC1=CC=C(C)C=C1NC2=NC=NC(N3C=CN=C3)=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0120>,2.3051199999999996,0.7673975178822988,2.388244236307635,1.448743353103859
[C][C][=N][C][=C][Branch2][Ring1][N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring2],CC1=NC=C(CNS(=O)(=O)C2=CC=CC(S(C)(=O)=O)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0190>,1.3335200000000003,0.881513633582365,2.274157790472655,2.13341037743917
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2],CCCNC(=O)CNC(=O)NC1=CC=C(F)C(C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0200>,1.3450799999999994,0.7583530466928973,2.0484550960907395,1.7433101373737467
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C],CC(=O)C1=C(C)N=C(C)N=C1SCC(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0270>,1.47634,0.46949897160356585,2.4208979137169564,-0.07340305569912697
[C][C][=C][C][=Branch1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC1=CC(=O)C(C(=O)NCC2=CC=CO2)=NN1C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F02E0>,2.2030199999999995,0.7968162136352835,2.1509242067049517,1.833156861471466
[C][C][C][Branch1][P][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1],CCC(NC1=NC=NC2=C1C=NN2CC)C3=CC=C(C)C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0350>,3.112820000000002,0.7831631353834897,3.0343385160182033,0.8814771608992453
[C][N][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Branch1][=O],CNC1=CC=C(NC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F03C0>,0.3168999999999995,0.8320310402364183,2.7833757904153575,1.3767794107667335
[C][C][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][N][=C][NH1][N][=C][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CC=1N=C(CC(C)C)SC=1C(=O)NC2=CN=C3[NH1]N=C(C)C3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0430>,3.4820400000000014,0.7673178718619909,2.6791534748969106,1.1574358844130437
[C][C][=N][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][N][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1],C1C=NN1C2=NC=NC(N3CCOCC3)=C2NC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F04A0>,0.16069999999999968,0.8217417738006162,3.1596488579445783,0.9490600110585028
[N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2],NC(=O)C1=CN=CC(S(=O)(=O)NCC2=CC=C3C(=C2)CCC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0510>,1.1476999999999997,0.8575878909055445,2.241319417944249,2.046620036583474
[O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N],O=C(COC1=CC=CC=C1)N2C=NC3=C(C=NN3C(F)(F)F)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0580>,2.4404000000000003,0.8711548925851117,3.0759762226779763,1.2797982402475823
[C][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][S][N][=C][Ring1][Branch1][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C],CN(CCC1=CC=CC=N1)C2=CSN=C2C(O)C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F05F0>,3.2965000000000018,0.9206013169724515,3.4908015985133307,1.1122049863489272
[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1],CC(NC(=O)CC1=CC=CC=C1)C2=CC=CC(N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0660>,2.6887000000000008,0.824147139492754,2.0870648349566974,2.0336708625070727
[O][=C][Branch1][N][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1],O=C(NCCCN1C=CC=N1)C2=CC(Cl)=CC3=CC=CN=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F06D0>,2.9048000000000016,0.7366191015156919,2.2313750398790653,1.4517204676993942
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring2][Ring1][C],CC(C)(C)C1=CC=C(S(N)(=O)=O)C(C(=O)NC=2C=N[NH1]C=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0740>,1.6069,0.7950967187915673,2.4985129269390374,1.476970667018799
[C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1],CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N2CCN(C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F07B0>,2.5254000000000003,0.8600698621867245,2.4504256588753464,1.8499236520582762
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(NC(=O)CCCC=2C(C)=NN(C)C=2)CC(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0820>,2.515620000000001,0.8336429469407526,3.244286535333303,0.9239281993704598
[C][C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][=Ring1][#C][C][=Branch1][C][=O][N][C],CCC=1N=C(NC(=O)C2=CC=CC(C)=C2)SC=1C(=O)NC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0890>,2.62582,0.9118087911029173,2.111258209291586,2.4477857462230004
[O][=C][Branch1][P][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][N][C][C][C][C][C][C][Ring1][=Branch1],O=C(CC1CC2=CC=CC=C2NC1=O)NC3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0900>,2.636400000000001,0.8971281513319521,2.624592592990872,1.8610481636688885
[C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(OCC(=O)NC1=CC=CC=C1C#N)C(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0970>,2.7847800000000014,0.8322003475519648,2.4612847373843163,1.6997170003755073
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O],CC1=NN(C)C(C)=C1CC(=O)OC(C)C2=CC=CC(N3CCCC3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F09E0>,3.484040000000002,0.781293801983268,2.748147933469628,1.158321076446712
[C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N],COCCS(=O)(=O)N1CCOC(C2=CC=C(Cl)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0A50>,1.6895000000000002,0.8284996737627022,2.7249191410360716,1.4175792277774395
[C][C][C][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][Ring1][=C][C],CCCOCC(=O)NC1=NC(C)=C(C(=O)NC(C)COC)C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0AC0>,1.0025000000000002,0.6517235080663396,3.5760865723127218,-0.3174690319810236
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0B30>,2.548120000000001,0.9087971166850207,1.689291393711521,2.854694189713583
[C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][N][C][Ring2][Ring1][Ring2],CC(=O)N1C2CCC(C1)N(CC3=NC(CC4=CC=CC=C4)=NO3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0BA0>,1.8554999999999997,0.8579905824083943,3.827732981895018,0.4622199301469534
[N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][#C],NC(=O)CC1=CSC(COC2=CC=C(Cl)C(Cl)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0C10>,3.056700000000001,0.9215288947079745,2.1593487983866364,2.4482956751532363
[C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1],COC(=O)C(CC(C)C)NC(=O)C1=C[NH1]C2=CC=CC(F)=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0C80>,2.6245000000000003,0.8341979213308426,2.6834218127215,1.4875677939327128
[C][O][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1],COCCOC1=CC(C)=CC=C1NC(=O)C2CCC(=O)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0CF0>,1.66432,0.6376366007901506,2.6664170955236255,0.5217659084271276
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O],CCN(CC)C(=O)NC1=CC=C(C)C(S(C)(=O)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0D60>,2.27222,0.9219968201384996,2.026776943524517,2.5832071571679807
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][NH1][C][=Branch1][C][=O][C][=Ring1][#C][=C][Ring2][Ring1][Ring2],C=1OC=CC=CC=1CN=C(N2CCC(C)CC2)[NH1]C(=O)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0DD0>,2.1944,0.626084524951943,3.4976743896629383,-0.3672517649032234
[C][C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(C)N(C)C1=CC=CC=C1C2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0E40>,3.593200000000002,0.7946945772273362,2.078928120302095,1.8945447658345858
[C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],CN(CC(=O)NC1=CC=C(Cl)C=N1)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0EB0>,2.2048999999999994,0.9300837300210621,2.1349335589091325,2.5154850911961786
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][N][=Ring1][S],O=C(NC1CCCC1)C=2C=C(NC(=O)C3=CC=CC=C3OCO)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0F20>,1.0997999999999994,0.680464891191338,2.6567282791031417,0.7455961768535486
[C][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring2],CC(C)(C)OC1=CC(CNC(=O)N2CCC3CCCCC3C2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9F0F90>,3.9806000000000035,0.901328221824036,3.157619560696391,1.3490215484237895
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2],COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC(C)CC(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB040>,2.1398,0.8023555104239262,2.751665762594616,1.2601117895250145
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=N][Ring1][N][=C][Ring2][Ring1][Ring1],C1C(=O)NC=CC=C(C)C1C2=CC(N3CCCCC3)=NC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB0B0>,2.530400000000001,0.911277566707282,3.4370942165676546,1.119293616968755
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2],CC=CC1=C(C(=O)N2CCCC2C3=NN=CN3CCC)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB120>,2.602100000000001,0.8375618232807454,3.7427085781589273,0.4451005382447999
[C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][=C][C][=C][O][Ring1][Branch1],COC(=O)CN(CC1=CC=CC(OC(C)C)=C1)CC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB190>,3.2420000000000018,0.6996332485581418,2.157709950488627,1.3404562923020817
[C][C][Branch1][Ring1][C][O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],CC(CO)C(C)NC(=O)NC1CCN(C2=CC=CC=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB200>,1.1079999999999992,0.7619383921271251,3.255972374183103,0.5537195864525226
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(C(F)(F)F)C(C(=O)C2=CC=C(N)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB270>,3.7212000000000014,0.694176009075891,2.0937710755700696,1.3771089698093855
[O][=C][C][O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][N][Ring2][Ring1][Branch2],O=C1COC2=CC(NC(=O)C3=CC=C(N4C=CC=C4)C=C3)=CC=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB2E0>,3.060500000000001,0.7736193654045703,2.1870516576729546,1.681045169349897
[C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CN1N=C(C(C)(C)C)N=C1C(=O)NCC2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB350>,2.6960000000000006,0.9481860869305729,2.373478438245934,2.3674519964069303
[C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C],COCCC(=O)C1=CC=C(Cl)C=C1NC(=O)C2=CC=CN=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB3C0>,3.514920000000002,0.8217676980241473,2.112490974896911,1.9963475152238255
[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1],CC1=CC=C(C(C)C)C(OCC(=O)NC2=CC=C(O)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB430>,3.8415200000000027,0.8246394581494054,1.7901808603393423,2.3330164304076852
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][P],COC(=O)C1=CC=CC(NC(=O)COC2CSC(C)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB4A0>,1.9196,0.8409590828635636,3.119430394089468,1.08536502022835
[F][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][O][C][Ring1][#C],FC1=CC=CN=C1N2CCN3N=NC(C4=CC=NC=C4)=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB510>,1.8943999999999999,0.7225564414441223,2.726288800973739,0.8864934062468723
[C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][Branch1][C][O][=C][Ring2][Ring1][C],CC1=CC=C(C(=O)NC2=CC=CC(CO)=C2)C(O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB580>,2.44522,0.7906340180060081,1.7283337040470137,2.2248363859830267
[O][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=N][Ring1][N],O=C(NCC1=CC=CC=C1F)NC2=CC(N3CCCCC3)=NC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB5F0>,2.9277000000000015,0.9046964775245695,2.1165189578361723,2.406963429786675
[C][C][C][=N][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C][Br],CCC1=NN(CCC(=O)N(C)C2=CC=CC=C2)C(C)=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB660>,3.5695200000000025,0.8269118401127525,2.321247068708031,1.8133121318557315
[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C],CNC(=O)CNC(=O)N(C)C(C1=CC=C(Cl)C=C1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB6D0>,2.424500000000001,0.8770320411165481,2.7564282847581207,1.6287319208246194
[N][#C][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][Ring1][Branch2][=N][N][C][=C][C][=C][C][=Ring1][Branch1][Ring1][=Branch2],N#CC(CC1=CC=C2C(=C1)NC(=O)C3S2)=NNC4=CC=CC43,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB740>,2.19458,0.7700118766849192,5.984573219490906,-2.1345138360663096
[C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][Ring1][C][C][C][O][Ring1][Branch2][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2],CC1=CC=C2[NH1]N=C(C(=O)NC3=CC=CC(=C3)CN(CC)CO)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB7B0>,2.895320000000001,0.6037593094110495,2.3423597952232296,0.6764367518320178
[C][S][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][Ring2],CSC1=NC=C(C(=O)NCC(C)(O)C2=CC=C(F)C=C2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB820>,1.3700999999999999,0.808498733988542,3.0417308417252826,1.000762828217427
[C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][S],CC(=O)N1CCC(C(=O)N(C)CC2=CSC=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB890>,1.3599999999999999,0.8403690091205648,2.3773499594896847,1.8244950861131395
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O],CCC(C)NC(=O)CN(C1=CC=CC(OC)=C1)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB900>,1.3759,0.8246808473827224,2.469367845197681,1.6540363917159313
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][C][N][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][=N][Ring1][#C][=C][Ring2][Ring1][#Branch1],C12OC=CC=C(OC)C2C=CSC1(CN3C=NC4=NC=NN4C3N)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB970>,1.7464999999999997,0.8778442950883989,5.566934703718822,-1.1777132282768275
[C][C][=C][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1],CC1=CC=C(CCNC(=O)CN(C)C(=O)C2=CC=C(F)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CB9E0>,2.5650200000000005,0.8858889781207878,1.7502369371702713,2.679207953433668
[C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][C],CCCCOC(=O)C(C)SC1=NN=C(N2CCCCC2)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBA50>,2.6293000000000006,0.4360046372147823,2.790794418180557,-0.6107712321066456
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][S][Ring2][Ring1][Branch1],C1C=CC(C)=NC1NC(=O)NCC=2C=NN3C=CC=CC=23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBAC0>,1.8803999999999998,0.9025513018102285,3.6218311806327392,0.8909253284184029
[C][C][=N][C][Branch1][P][C][S][C][=N][C][=C][C][=Branch1][C][=O][N][Branch1][C][N][=N][Ring1][Branch2][=C][S][C][Ring1][#C][=N][Ring2][Ring1][Ring1],C1C=NC(CSC=NC=CC(=O)N(N)N)=CSC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBB30>,0.5249000000000004,0.19201193283367526,5.2504899691655424,-4.290430304997166
[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=C][Branch1][Ring1][C][#N][N][=N][C][=C][C][=C][N][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][C],CCOC(=O)NC1CC(NC2=C(C#N)N=NC=CC=CN=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBBA0>,1.9467799999999997,0.8680577584381304,3.8998408898054997,0.4404479023851522
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring1][N],COC1=CC=CC=C1S(=O)(=O)NC=2C=CN(C3=NC=CC=C3Cl)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBC10>,2.730100000000001,0.7518433507465524,2.2872029397366234,1.4720138139961385
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][C][C],CCCNC(=O)C1=CC=C(S(N)(=O)=O)C=C1OCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBC80>,0.8725000000000004,0.8103294708664125,1.882724056646687,2.1689232976853754
[C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CNC(=O)C1=CC(Cl)=CC=C1NC(=O)C=C(C)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBCF0>,3.741600000000002,0.8398807259668266,2.0075609268199877,2.191842703014146
[C][C][N][=C][S][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],CC=1N=C2SC=C(C)N2C(=O)C=1NC(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBD60>,2.7198400000000005,0.8776305911626316,2.5933805268863583,1.7947724289268
[C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC1=CC(=O)OC(C)=C1C(=O)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBDD0>,2.648040000000001,0.9036143289603364,1.9015252748854632,2.616546369916219
[C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],C=CCN(CC=C)C(=O)C(C)NC1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBE40>,3.341000000000002,0.7760424912227513,2.7673348546805627,1.1128776014331936
[H][N][=C][N][Branch1][Ring2][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],[H]N=C1N(CC=C)C2=CC=CC=C2N1CCOC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBEB0>,3.3263700000000016,0.697236522022183,2.235760751994814,1.250421858116101
[C][C][=N][C][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][C],CC1=NC=CN1CC(=O)NCCC2C(CCC(=O)N2CC3=CC=CO3)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBF20>,2.1181199999999993,0.8220286557884462,3.441138544855127,0.6690047340871041
[C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O],CCN(C)C(=O)NCC(=O)N1CCC2=CC(F)=CC=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CBF90>,1.3717,0.9149380929450822,2.284879429450738,2.2898110352746732
[C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Branch1][C][F][F],CN(CC1=CC=C(OC(F)(F)F)C=C1)CC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD040>,3.2821000000000016,0.7604977817055305,2.235060618299606,1.5674282902280465
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=S(=O)(NCC1=NC=C(C2=CC=CC=C2)O1)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD0B0>,2.959200000000001,0.7795351758011145,1.9801418708759329,1.91753400812964
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NN(C)C(C)=C1C(C)C(=O)NCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD120>,2.4568400000000006,0.928198699596723,2.4640473977793285,2.1769461002042867
[C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][Branch1][C][C][=C][Ring1][S][O][C],COC1=CC=C(CC(=O)N=C2SC=CN2C)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD190>,1.7738,0.862796048224543,2.298020465721107,2.0159597754016083
[C][C][C][O][C][=C][NH1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][C][=C][Ring1][=C][C][Ring1][P][Branch1][C][C][C],CCCOC=C1[NH1]C(C2=CC=C(OC)C=C2)=NC=C1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD200>,3.8529000000000027,0.640704020315855,3.010933530884027,0.19258657069524832
[C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring2][Ring1][Ring1][C][Branch1][C][C][C],CC=NC(N1CCOCC1)=CC(C2=CC=C(F)C=C2)=NNC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD270>,2.7921000000000014,0.6436372016731764,3.2479712655284807,-0.02978525716259872
[C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][S][C][=N][C][=Ring1][Branch1][C][C][Ring1][#C][C][Ring2][Ring1][Ring1][=O],CCN1CCC2(CCN(C(=O)CCC=3SC=NC=3)CC2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD2E0>,1.9366999999999996,0.8514081978411108,3.240868186347873,1.0161728028576809
[O][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][Branch1][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],OC1=CC(O)=CC(CN2CCNC(=O)C2C3=CC=CC=C3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD350>,1.7709,0.8073050602725068,2.7818418127215008,1.2546834886410334
[C][C][C][=N][N][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][C][=N][N][Branch1][Branch1][C][C][C][#N][C][=Ring1][N][Ring1][#C][S][Ring2][Ring1][Branch1],C1CC=NN=C1NC(=O)CC=2CC(CC)=NN(CCC#N)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD3C0>,1.94008,0.8403820692961244,4.203167313230712,-0.0012569667500903492
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1],COC(=O)C1=CC=CC(S(=O)(=O)NC2=C(C)C=C(C)C=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD430>,3.1992600000000015,0.8722136468855155,1.9136119814105594,2.447456253017018
[O][=C][Branch1][P][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][O][Ring1][#Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1],O=C(NCC1CN2CCCCC2CO1)NC=3C=N[NH1]C=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD4A0>,0.7844999999999996,0.7635576137914757,3.4027681715482583,0.4150198974091204
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1],CC1=CC(C)=C(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD510>,4.431460000000003,0.8959323043345101,2.0223947540583236,2.457266767614227
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][S][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C],CCS(=O)(=O)C1=CC=C(O)C(NCCOC2=CC=C(F)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD580>,2.815800000000001,0.5991853475673786,2.062149388358449,0.933777349478444
[C][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1],CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)C2=NOC(C)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD5F0>,2.1075199999999996,0.9192523691605274,2.394372922333215,2.201888923469422
[C][O][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][#C][Ring1][O],COCCNC(=O)CSC1=NC=NC2SC(C3=CC=CC=C3)=CN12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD660>,2.2111,0.7861955707440769,3.663854336447839,0.26712351727254546
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2],COC1=CC(C)=C(NC(=O)NC2=CC=C(F)C=C2)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD6D0>,3.795320000000002,0.9030340469584596,1.8263057027100853,2.6888645320822127
[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2],CC1=CC=C(N)C=C1NC(=O)C2=CC=CC(OC(C)C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD740>,3.6167200000000026,0.8427974999254557,1.7721038326337624,2.441883666993516
[O][=C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C1CC2CCCC(C1)N2C(=O)OCC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD7B0>,2.909200000000001,0.8320085352014963,3.5445788986469484,0.6154637773605334
[C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C],CCCN(CCC)S(=O)(=O)C1=CC=CC(C(=O)N2CCOCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD820>,1.9697,0.750757450957029,2.082848418226529,1.6709388365586157
[C][O][C][C][C][Branch1][Ring1][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][C][Ring2][Ring1][C],COCC1C(CO)CCCN(C(=O)C2=CC(Cl)=CC=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD890>,1.8421,0.921275089461673,3.1435387606046366,1.4628366867037288
[N][#C][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][Ring1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],N#CC=1C=CSC=1NC(=O)CN2N=C(CO)C=C2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD900>,2.614280000000001,0.7479721728757975,2.461525780578647,1.2783350838003407
[C][O][C][C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][S],COCCOC1=CC=CC(NC(=O)C2=CC=CC(C)=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD970>,2.06252,0.8232295139078022,2.1681528512014,1.9479947183376112
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1],FC1=CC=CC=C1CN(CC2=CC=CN=C2)CC3=NN=C4C=CC=CN34,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FD9E0>,3.4658000000000015,0.5357927725586837,2.2902412776754506,0.38872258511796787
[O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N],O=C(NCC1CCCCC1)C2=CC=C(CN3CCCC3=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDA50>,3.119100000000002,0.907571311374679,1.9291790381862324,2.6086775186871627
[C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][=Branch2][NH1][C][Ring1][O][=O][C][Ring2][Ring1][Ring2],CC1CCCN(C(=O)C23C=C(C(=O)CCCC2)[NH1]C3)OC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDAC0>,1.7931,0.8003215972037161,5.097047095040464,-1.0954391090218838
[O][=C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2],O=CCCN(C(=O)CC=C(Cl)C1=CC=C(Cl)C=C1)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDB30>,3.3572000000000024,0.7554706718090356,2.8907610737020324,0.8865922853431458
[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Ring1][P][=C][Ring2][Ring1][Ring2],COC=CC=CC=C(C1OC(C(C)(C)C)=N[NH1]1)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDBA0>,2.1334999999999997,0.35752083365596987,4.724009410893579,-2.9364052426137297
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F],COCCN(CCOC)C(=O)NC1=C(F)C=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDC10>,2.0915,0.8355760077232048,2.133427683503326,2.044452355112698
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][=C][C][=N][N][=C][Branch1][Branch1][C][C][O][C][=N][C][=Ring1][#Branch2][Ring1][=N][O][Ring2][Ring1][Branch1],C1OC=CC=C1CN(C)C2C=CC3=NN=C(CCOC)NC32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDC80>,1.0896999999999997,0.7977886801285998,5.070681632952443,-1.0817382323094438
[C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][Ring1][S],COC1=CC=C(NC(=O)CN2C=CC(C)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDCF0>,1.83882,0.893774340886011,1.7875873716932702,2.6812843327367855
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][#N][S][Ring2][Ring1][C],CC1=CC=C(NC(=O)C=2C(C)=NN(C)C=2CC#N)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDD60>,2.4168200000000004,0.9339478471340942,2.840342434648779,1.8293968010216917
[C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1],CC(COC1=CC=CC=C1)NC(=O)C2=CC=C(Br)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDDD0>,3.041400000000001,0.9137532682396178,2.3367411335172736,2.232025207680815
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2],COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C(C)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDE40>,2.4435000000000002,0.4740816748895802,1.8798079048419645,0.4906004696059365
[O][=C][Branch1][#C][N][C][=C][N][=N][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl],O=C(NC1=CN=NC2=CC=NN12)C3=CC=C(F)C=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDEB0>,2.1691000000000003,0.7852092912802637,2.4343587103711943,1.4916877460301246
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][Branch1],CC1=CC=CCNC(=O)COC(=O)C2=CC=C(Cl)C=C2N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDF20>,2.8314000000000012,0.7478771260554571,3.60474057202671,0.13464505825057538
[C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][O][C][C][C][S][C][=N][C][=Ring1][Branch1][C],CC1=NOC(C2=CC=CC=C2)=C1C(=O)OCCC=3SC=NC=3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9FDF90>,3.814440000000002,0.6662849342466264,2.4202712415053025,0.9111534297278294
[C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][N][C][=N][C][Branch1][Ring1][C][#N][=N][Ring1][#Branch1],CC(SC1=CC=C(Cl)C=C1)C(=O)NN2C=NC(C#N)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9040>,2.0540799999999995,0.8740288274856937,3.3294966135635438,1.0406475238649247
[C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1],CCOC1=CC=C(CNC(=O)NC2=CC=CC=C2OC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E90B0>,3.4156000000000013,0.8591178645283872,1.5735079725713703,2.7220813500705656
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Ring1][Branch2][=N][Ring1][O],CCCCNC(=O)C1=CN2C=C(Cl)C=C(Cl)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9120>,3.171000000000001,0.8774055765592274,2.32586957983807,2.0611583029580665
[C][#C][C][N][C][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],C#CCNC(=O)CCCS(=O)(=O)N1CCC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9190>,0.9085000000000001,0.7944670225091585,2.422094207133604,1.5502409054121884
[C][N][C][=N][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1],CN1C=NC(CNC(=O)NCC2=CC=C(C(C)(C)C)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9200>,2.112,0.9082658204725111,2.387013647224588,2.1543154551379677
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][N][=C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][=N][Ring1][S][C][=C][Ring2][Ring1][Branch2],C1OC=CC=C1C(=O)NCN=CN2C=NC3=C(C)C=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9270>,1.1253199999999999,0.6745542954760004,3.588197352485002,-0.21542587510499978
[C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(N2CCCC(NS(=O)(=O)C3=CN(C)C=N3)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E92E0>,1.3759999999999994,0.8814696561960889,2.7730347436876563,1.6343135372927877
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][#N],CCC(CC)C(=O)NC1=CC=C(Cl)C=C1C(=O)NCCC#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9350>,3.358180000000001,0.7553720386866908,2.186905664879065,1.5899545285543888
[O][=C][Branch2][Ring1][C][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][C][=Branch1][C][=O][N][C][C][O][C][Ring1][Branch2],O=C(CSC1=CC=C2C(=C1)CCC2)NCC3C(=O)NCCOC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E93C0>,1.1462,0.7928311031968686,3.0966889977393457,0.867466518244997
[C][#C][C][N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1],C#CCN1C(CNC(=O)C(C)OC(C)C)=NC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9430>,2.0991999999999993,0.8311132082159641,2.9689999463911096,1.186566094688711
[O][=C][Branch1][P][N][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(NCC1=CN2C=CC=NC2=N1)CC=CC=CCl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E94A0>,2.0443,0.8504471685154897,3.142655097370671,1.1095807452067774
[O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],O=C(CCNC(=O)C=1C=COC=1)NC2=CN=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9510>,2.586400000000001,0.7584365437328285,2.0951427580484605,1.6970399606156823
[C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C],C=CCNS(=O)(=O)C1=CC=CC(NC(=O)C2=CC=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9580>,2.4647000000000006,0.802288165257674,2.0889932944869294,1.9224475318014402
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(S(=O)(=O)N(C)C2CCC(C)CC2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E95F0>,3.2028200000000018,0.8575974848652396,2.138395037436217,2.1495923868899807
[C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][O][C][Branch1][C][Cl][=C][C][Ring1][#Branch2][=C][Ring1][#C],COC(C)C(=O)NC1=CC=CN=C(N(C)C)OC(Cl)=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9660>,2.1193,0.8630248529614445,4.645837191333166,-0.3307129265259441
[C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C],CCN(C)C(=O)C1=CC=CC(OCC(=O)NC2=CC=CC(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E96D0>,3.104420000000001,0.8871909191247906,1.8241320003160801,2.6118225953078733
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][N][=C][Branch1][#Branch2][S][C][C][C][C][C][Ring1][Branch1][O][Ring1][N][C][=C][Ring1][P],C1OC=CC=C(C=NN=C1SC2CCCC2O)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9740>,2.5075000000000003,0.7930903988011719,5.165156802262758,-1.1997048082568984
[C][C][N][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][NH1][N][Ring2][Ring1][Ring2][Ring1][#Branch1],CCNN=C(C(=O)NC1=CC=CC=C1N(C)C2)C=CC(=O)[NH1]N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E97B0>,0.1749000000000004,0.5834362104321236,3.9367628438931934,-1.0195817917325756
[O][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],O=C1C(=O)N(CC2=CC=C(F)C=C2)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9820>,2.5552,0.7732659877060449,1.7000515076270801,2.1662784309031444
[C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][F],COCCCNC(=O)C1=C(Br)C=CC(F)=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9890>,2.4936,0.6702908568727979,2.191408053412463,1.1600462309515267
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C],CC1=CC=CC=C1N2C(C)=NN=C2SCC(=O)N3CCCCC3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9900>,3.3772400000000022,0.7980462194031253,2.619122526493088,1.371108570522538
[O][=C][Branch1][P][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],O=C(CCC1=CC=C(F)C(F)=C1)N2CCC3(CC2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9970>,2.2629,0.8593678337918184,2.770725329205016,1.5261138397540757
[C][C][=N][C][=C][Branch1][#C][C][Branch1][Branch2][N][C][C][Branch1][C][C][C][=N][N][Ring1][#Branch2][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring2][Ring1][Ring2],CC1=NC2=C(C(NCC(C)C)=NN2)C(C3=CC=CC=N3)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E99E0>,2.6151,0.806179287831359,3.821392845197682,0.20950359395911278
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2],CC(C)C1=CC=C(OC(=O)C2CCN(C(=O)C3CC3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9A50>,3.3640000000000025,0.6320401680432232,1.9591880902815273,1.2010127499345886
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC1=CC=CC(C)=C1NC(=O)COC(=O)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9AC0>,3.752340000000002,0.8736660573498245,1.6362547569345498,2.7320755298145727
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC1=CC=CC=C1NC(=O)CNC2=NN=NN2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9B30>,2.2752999999999997,0.7270788837189825,2.0845066501438634,1.5508877684510494
[C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][Ring1][S],CCNC(=O)COC1=CC=C(C(=O)CN2CCCS2(=O)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9BA0>,0.4197000000000002,0.7263152495436422,2.3636580422046034,1.2679182055136078
[O][=C][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],O=C(CCC1=CC=CN=C1)N2CCC3(C2)C(=O)NC4=CC=CC=C43,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9C10>,2.1365999999999996,0.9419097508230935,3.2582035612133513,1.4513451929021164
[C][C][C][C][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][=C][Ring1][N][Cl],CC1CC1CNC(=O)C2=CC(N3CCCC3=O)=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9C80>,2.8526000000000016,0.9296501012962846,2.876201697258864,1.772048809222559
[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2],CCC(=O)C1=CC=C(OCC(=O)N2CCC=3SC=CC=3C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9CF0>,3.8655000000000035,0.7744787644490246,2.68236687038449,1.1900269518606335
[C][C][Branch1][O][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(CCC(C)(C)C)NC(=O)NC(C#N)C1=CC=NC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9D60>,3.160280000000001,0.8732337799467972,3.3671540217039286,0.9990148780300574
[C][C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][C][=N][Ring2][Ring1][Branch2],C1CNC=C1CNC(=O)COC2=CC=CC=C2C=NC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9DD0>,2.809400000000001,0.7649781559420427,2.6458668286922347,1.1790239510179785
[C][C][O][C][Branch1][Ring1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Ring1][O][=N][Ring1][P],CCOC(CC)C1=NOC(CN2CCC3=CC(OC)=CC=C32)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9E40>,3.1285000000000016,0.7816901907675236,3.0822617250120743,0.8261892288255437
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][C],CC(C)NC(=O)NC(C(=O)NCC1=CC=CO1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9EB0>,1.628,0.7407348388715386,2.5321880970800272,1.1714860972776657
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C],CC(=O)C=C(C)N=C(C)[NH1]C(C1=CC=C(C(F)(F)F)C=C1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9F20>,3.531570000000001,0.5093163614825242,3.2405875481681896,-0.6940057407555686
[O][=C][Branch1][S][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][=C][C][=C][S][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2],O=C(NCCC(=O)N1CCCCC1)NCC2=CC=C3SC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9E9F90>,3.1031000000000013,0.8745974171185615,2.158850606187821,2.2141364794049867
[O][=C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][N][Ring2][Ring1][Branch1],O=C1CN(C(=O)C2CCCN2C(=O)C3CCCCC3)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE040>,0.5161,0.8082388241827471,2.7104022522819413,1.3307918686317937
[C][O][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][P],COC1=CC=CC(CNC(=O)C2=NC=CN=C2N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE0B0>,0.9973999999999998,0.8533415291461193,1.9292412512168244,2.337466394513772
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CS(=O)(=O)NCCNC(=O)C1=CC2=CC=CC=C2[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE120>,0.4468999999999995,0.6947757381278036,2.0885165777770567,1.3853621128619613
[O][=S][=Branch1][C][=O][N][=C][Branch1][P][N][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],O=S1(=O)N=C(NCCC2=NN=C3N2CCCC3)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE190>,0.8955999999999993,0.9022874407013242,2.6372734124686676,1.8741637910379527
[C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2],CC(C)N1C=NN=C1SCC(=O)NC2(C#N)CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE200>,2.293780000000001,0.843800679397011,2.717303594356549,1.5016998026285062
[C][C][Branch1][C][C][C][N][C][Branch1][#Branch2][S][C][C][C][C][C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],CC(C)CN1C(SCC2CCCO2)=NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE270>,3.9634000000000027,0.7798373502770102,2.6349170095468697,1.2642697418381812
[C][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][=Branch1],CC1=NC(NCC2CCCO2)=C3C=NN(C4=CC=CC=C4)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE2E0>,2.7148200000000005,0.8025170800629987,2.724457549775545,1.288127850539448
[C][C][N][Branch1][N][C][C][#C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2],CCN(CC#CC1=CC=CC=N1)C(=O)C2=CC=C(Cl)C(N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE350>,2.8310000000000004,0.6999531577463419,2.4940208757971796,1.0057449129345302
[C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][=Branch1][C][=O][C][N][N][=C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring1][=C][C][=C][Ring2][Ring1][#Branch1],COC=C1C=C(OC(=O)CN2N=CCC3=CC=C4C=CC=CC4=C32)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE3C0>,3.7153000000000027,0.6254121591248367,3.44861957043532,-0.3215587748111366
[O][=C][Branch2][Ring1][N][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(NC=1SC=C(C=1C(=O)N2CCCCCC2)C3=CC=C)C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE430>,3.3141000000000025,0.9045783359065651,4.032678992795464,0.49021268673736174
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][C][Ring1][#Branch2][=O],COC1=CC=CC=C1OC(=O)CCC2=C(C)N=C(C(C)C)[NH1]C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE4A0>,2.74852,0.6504333641972098,2.3660614753186895,0.8861053456673593
[C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][S][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1],CCN1C(=O)CC2=CC(CN3CCC4=CC=CC=C4C3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE510>,3.153900000000002,0.869483755482861,2.164047006039276,2.18337177137503
[C][C][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2],CC=NN(CC(=O)NC(C)C(C)C)C(=O)C1=CC=CC=C1S,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE580>,2.583900000000001,0.4804755120376402,3.4812676275846037,-1.0788900673964026
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1],COC1=CC=C(C)C=C1C(C)NC(=O)CN(C)C2=CC=C(F)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE5F0>,2.851320000000001,0.8842498816427622,2.66514216861567,1.7561072395981405
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2],COC1=CC=C(NC(=O)CN2C(=O)[NH1]C3=CC=CC=C32)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE660>,3.1301000000000014,0.5954112516026628,1.9987519510021219,0.9783043070111921
[C][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][Ring1][#Branch2][N],CC1=N[NH1]C=C1NC(=O)C2=CC=3C=NN(C)C=3N=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE6D0>,0.8343199999999997,0.6384180653773277,3.033036125061768,0.1590542018248704
[F][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1],FC1=CC=C(OCC2CCCCN2CC3=CC=CC=N3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE740>,3.654200000000003,0.842478414725749,2.414348794970021,1.7980432786587244
[C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C],CC(C)N(C)S(=O)(=O)C1=CC=C2C(=C1)C(=O)N(C)C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE7B0>,0.26610000000000045,0.810821282079614,2.2844480535430307,1.7696583568550395
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2],CC1CN(C(=O)CC2=CC=C(Cl)C=C2)C3=CC=CC=C3S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE820>,4.409900000000003,0.8174093021100796,2.5678589990438354,1.519187511506562
[C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][Ring1][N][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],CN(C(=O)C=C1C=C(C2=CC=CC=N2)C=CC1)OC3=CC=CC(F)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE890>,3.9428000000000027,0.6272031029626852,3.2740358515612575,-0.13802033674783143
[C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C],CCOC1CCC2C1OCCN2C(=O)C3=CC=CC=C3C(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE900>,1.8817,0.7873519522828649,3.4115651901726274,0.5251945712416974
[C][N][N][=C][C][=C][Ring1][Branch1][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][S][Ring1][=N],CN1N=CC=C1C2=NN=C(NC(=O)C=3C=CSC=3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE970>,2.2524000000000006,0.8030163961908267,2.58001537709095,1.4350666038631834
[O][=C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][Branch1][#C][C][=N][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][C][Ring1][=C],O=C(C1=CC=C(F)C(F)=C1)N2CCC(C3=N[NH1]C(C4CC4)=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CE9E0>,2.980100000000001,0.9397941801986277,2.3889233017275746,2.3100475992655642
[C][O][C][=Branch1][C][=O][C][C][C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Ring1][=Branch1][N][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][N][O][Ring2][Ring1][Ring1],COC(=O)CC1CC2=C(C=CC3=C2N=NC4=CC(C)=C(C)C=C43)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEA50>,3.266440000000002,0.5351469554415551,3.17414763961526,-0.49841286240748417
[C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][Ring1][O][C][=N][Ring2][Ring1][Ring1],COC1=CC=C(NC(=O)C2=CC=C(C)C=C2C)C(OC)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEAC0>,2.9679400000000014,0.9383363411488546,1.9758404374082978,2.715841268335975
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2],COC1=CC=CC(C2CC(=O)N3C=C2C4=CC=CC=C4C3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEB30>,3.565800000000002,0.8463309230366646,3.8976692356412066,0.33398537954211616
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][=C][Ring2][Ring1][=Branch2],NC(=O)C=CC=CC(CN1CCCN(C2=CC=CC=C2)C3=CC=CC=C31)=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEBA0>,4.188700000000003,0.6214406291058356,2.7390383878735243,0.36816475765565393
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],COC1=CC(OC)=CC(C(=O)N(C)CC2=CC=NC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEC10>,2.3710000000000004,0.8464720227851135,1.9215393179549842,2.3108207959705833
[C][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],CCCCCC(C)NC(=O)CNC1=C(C#N)C=NC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEC80>,3.6033800000000014,0.7272576334730109,2.6851157391627716,0.9511724282022826
[C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch1],CCC1=CC(=O)[NH1]C(SC(C)C(=O)NC2=CC=C(C)C(C)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CECF0>,3.0684400000000016,0.6520791368600679,2.7945307559811052,0.4658649283192342
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][N][=C][NH1][C][Ring1][#Branch1][=O],CCOC1=CC=CC=C1CNC(=O)NCCC2=C(C)N=C[NH1]C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CED60>,1.51892,0.7169757449288364,2.4014113107773483,1.183467413866834
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][=N][Ring2][Ring1][=Branch1],CC=C1C(C)=NC(C(NC(=O)CC2CCC(C(F)(F)F)CC2)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEDD0>,4.0267000000000035,0.8232083158992848,3.751431259524762,0.3646103199716624
[O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl],O=C(CC1=CC=CC=C1F)NCCNC(=O)CC2=C(F)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEE40>,2.6358000000000006,0.7400534919869186,1.9943099174953236,1.7059575424392692
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][Ring2],NC(=O)C=CC=C(NC(=O)C1=CC=2C(C)=NN(C)C=2C1Cl)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEEB0>,1.4669200000000002,0.4998174985605311,4.294370104768435,-1.7952826119657792
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],COC(=O)C1=CC=CC=C1NCC(=O)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEF20>,2.6629000000000005,0.8333067619778283,1.6610094614051185,2.5055243484840233
[C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][O][F],CCC(=O)NC1=C(Cl)C=C(C(=O)OC)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9CEF90>,2.6142000000000003,0.8491999698102498,2.0126419664559414,2.2333578825953078
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=CC(C(=O)NC(C)C2=CC3=CC=CC=C3O2)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6040>,3.9410000000000034,0.771634083926944,2.4356548794342636,1.4225155402004566
[N][#C][C][C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O],N#CCCN(CCC(F)(F)F)C(=O)CC1=CSC(C2=CC=CC=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C60B0>,4.047280000000003,0.7418757504391436,2.478037170242576,1.2313415819531417
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],CC(=O)NC1=CC=CC=C1OCC2=CC=C(F)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6120>,3.671520000000002,0.9225961846728432,1.7316831030837463,2.8812978202804693
[C][N][C][=N][C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][#Branch1],CN1C=NC(S(=O)(=O)NC2CC(O)(C3=CC=CC=N3)CCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6190>,1.313899999999999,0.8106094320644548,3.5900414191222207,0.4630057412000532
[F][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2][F],FC1=CC=C(CCSC2=NN=NN2CC3CCCO3)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6200>,2.4651000000000005,0.7634317887497365,2.851871380029193,0.9652875637194893
[C][C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][#Branch2],CCC(OC1CCCC1)C(=O)N2CCN(S(N)(=O)=O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6270>,0.07190000000000257,0.77596409316186,2.9523079645610775,0.9275125012482226
[C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S],COCC(=O)NC1=CC=CC(C(=O)OCC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C62E0>,2.6285000000000007,0.8328020376003069,1.6082442363076357,2.555765951693899
[C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=N][C][Ring2][Ring1][Branch1][=Ring2][Ring1][Ring2],CC=CC1=C2CC(=O)N(CC(=O)NC3=CC=C(F)C(F)=C3)C=NC12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6350>,2.418800000000001,0.9209162725331486,3.688971466183774,0.9156098964819686
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(=O)N(C)CC1=CC=C2C(=C1)N=C(C)N2C3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C63C0>,2.7072200000000013,0.7460318994236722,2.2908866326210013,1.4392728644973598
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring1][=N],CC(=O)N(C)CC(=O)NC1=NN(C2=CC=CC=C2F)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6430>,1.7366199999999994,0.9352546846515912,2.243231818725219,2.433041604532737
[O][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CCC(=O)N1CCC2=CC=CC=C21)NC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C64A0>,2.3896000000000006,0.9417364488799039,1.9649923475713713,2.7436898968281485
[C][O][C][C][C][C][N][=C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][Ring1][O][NH1][Ring1][#C],COCCCC1N=C(C2=NN(C)C3=CC=CC(N)=C32)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6510>,1.258,0.6348149525613084,3.5904174926844226,-0.41634272987788057
[N][#C][C][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][Branch1][Branch1][C][#C][C][O][=C][Ring1][=Branch2],N#CC1=NC2=CC=CC(F)=C2N1CC=C3C=CC(C#CCO)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6580>,2.4653800000000006,0.8670290954260024,3.6562250876591484,0.6789203894708633
[C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][O][C][=Ring2][Ring1][Ring2][C],COC(=O)C=1C=C(CNC(=O)NCC2=CC3=CC=CC=C3O2)OC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C65F0>,3.1202200000000015,0.69492048857904,2.3142638038906185,1.1603386390045816
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][#C][Ring1][N][C][=C][Ring2][Ring1][#Branch1],COC=CC=C(CNC1=C(C2=C3C=CC=C2)C(=O)C=CC=NN13)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6660>,3.746000000000002,0.6739132831660883,4.596260287798809,-1.2266938719683669
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][Branch2],COC(=O)C1=CC=CC=C1CNC=C2C=NC3=CC(F)=C(F)C=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C66D0>,3.5980000000000016,0.8726590883826989,2.6205531659809687,1.7427422759325255
[C][C][C][=N][NH1][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1],CCC1=N[NH1]C(S(=O)(=O)NCC2=CC=CC=C2OCC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6740>,1.8493,0.8172640212286463,2.458511938554725,1.6278081675885065
[C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1],CCN(CC1=CC=CC(C2=CC=CN=C2)=C1)C(=O)C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C67B0>,4.0039000000000025,0.7153920007126989,2.0490991300346835,1.527860873528811
[C][N][C][=Branch1][C][=O][C][C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][Ring2],CNC(=O)C1CC(C(=O)OCC2=CC=CC=C2)CC=3N=CN(C)C=31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6820>,1.5554999999999994,0.8650115794300147,3.4784312381267455,0.846626659023328
[C][C][C][C][C][=C][Branch1][S][S][C][N][=C][Branch1][Ring1][C][C][NH1][C][=Branch1][C][=O][N][=Ring1][=Branch2][N][Branch1][C][C][N][=Ring1][S],CCCC=1C=C(SC=2N=C(CC)[NH1]C(=O)N=2)N(C)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6890>,1.5644999999999998,0.8985780910953457,3.0844155618118894,1.408474893664839
[C][C][O][C][=Branch1][C][=O][C][NH1][N][=C][C][=Ring1][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][N],CCOC(=O)C=1[NH1]N=C2C=1CCOC3=CC=C(C)C=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6900>,2.4967200000000007,0.8530368193087929,2.4481441354724094,1.817039961071555
[C][C][C][=N][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][#Branch1][C][Ring1][O][=O][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][Branch2],CCC1=NC=C2C(NC(=O)C3=CN=C4C=CC(C)=CN4C3=O)=CC=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6970>,2.910420000000001,0.6147493492433771,2.5806810487152205,0.49306569750166496
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][=C][C][=C][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Ring1][N],CCNC(=O)C(C)NCC1=CC=CC(C2=NC(C)=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C69E0>,2.7327200000000005,0.8625265400087353,2.589756339330666,1.72287636071301
[C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O],CNC1=C(C(=O)NCC2=N[NH1]C(=O)[NH1]2)C=NC3=CC=CC=C3C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6A50>,-0.021900000000000475,0.5323756926095997,2.802821491772823,-0.14094302872482434
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch1][C],CC1=CC=C(SCC(=O)NCC2=CC=NC(OC3CCC3)=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6AC0>,4.038240000000003,0.7609193200700247,2.240686122417161,1.5639104779329625
[N][#C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2],N#CCCN(CC1=CC=CO1)C(=O)CCCN2C=CC3=CC(Cl)=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6B30>,4.610380000000004,0.5820545580497439,2.4708873356175065,0.43938545463121326
[O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S],O=C(C1=CC=CO1)N2CCN(C(=O)CC3=CC=C(F)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6BA0>,1.9458,0.869490249901173,1.8873369757710385,2.460114273734826
[O][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6C10>,1.1377,0.8666152088518423,1.936629278841556,2.3964467654176556
[C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],CNC(=O)C1=CC(Cl)=CC=C1NC(=O)COC2=CC=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6C80>,2.422700000000001,0.7832888647315074,1.8710400133584493,2.0454043102990878
[C][C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Branch2],C1CCN(CC2=CC=CC=C2NC(=O)C3=CC=CN=C3C)C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6CF0>,3.2106200000000014,0.9376746864827734,2.8491291859461665,1.8392442464677003
[C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][S],CC(C)(O)CCC1=CC=C(NC(=O)C2=CC=CC=N2)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6D60>,3.1765000000000017,0.8914275228830506,2.0756522348664532,2.3814853795488
[O][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],O=C(CC(F)(F)F)N1CC2C(CC1)CNC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6DD0>,2.996600000000001,0.8641935329707668,3.275570051347791,1.0453976135060428
[C][C][=C][C][=C][C][C][=Branch1][C][=O][NH1][C][=N][C][=Ring1][#Branch1][C][S][C][N][=C][N][Branch1][Branch1][C][Ring1][=Branch1][=O][C][C][N][Ring2][Ring1][=Branch1][Ring1][O],CC1=CC=CC=2C(=O)[NH1]C=NC=2C3S4CN=CN(C4=O)CCN13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6E40>,1.4373,0.7049227722781657,6.083990029739077,-2.5593761683482485
[C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1][C][=N][N][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1],CC(NC(=O)CC1=NN(CC(N)=O)C2=CC=CC=C12)C=NN=CC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6EB0>,1.0353999999999999,0.5448586590049529,3.6169471020057795,-0.892653806981015
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1],COC1=CC=C(Cl)C=C1S(=O)(=O)NCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6F20>,2.2221,0.9189164859431725,1.902767169017812,2.6918152606980508
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C],CC(=O)NC1=CC=C(NC(=O)C2CC(=O)N(C(C)C)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C6F90>,1.8403999999999994,0.890575178720349,2.395929505029194,2.056946388572551
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][Ring1][#Branch2],COC1=CC=CC=C1CNC(=O)C2CC(=O)N(CCOC)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0040>,0.8062999999999998,0.8091755145099756,2.4256780410093413,1.6201995315405364
[C][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1][N][Ring2][Ring1][Branch1][C],C1C=NN=C1SC2=CC=CC=C2SCN3C=C(Cl)C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C00B0>,4.166400000000002,0.7934620213447316,3.497063904909039,0.4702462018146192
[C][N][C][=Branch1][C][=O][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S][C][=C][C][=C][S][Ring1][Branch1],CNC(=O)CCC(C(=O)NC1=CC=C(C)C=C1)CC2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0120>,3.3801200000000025,0.8174740687772716,2.588045210757098,1.4993251331292594
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][Branch1][C][C][C],CCOC(=O)C(NS(=O)(=O)C1=CC=C(C)S1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0190>,1.92252,0.8150566329753218,2.671334783674645,1.403948381201964
[C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][P],CCNC(=O)C1=NC(CC(=O)NCC2=CC=CC=C2C)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0200>,2.0601199999999995,0.8564966248049217,2.1509332827450702,2.131549841279538
[C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC(C(=O)NC2=CC=C3C(=C2)COC3)=CC(OC)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0270>,2.994900000000002,0.9133132430937768,2.089213120732099,2.4773530947367854
[O][=C][C][O][C][=C][C][=C][Branch1][#C][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][N][Ring2][Ring1][C],O=C1COC2=CC=C(C3=CSC(C4CC4)=N3)C=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C02E0>,3.0184000000000006,0.9138943830745305,2.405402789678364,2.1640691256942883
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1][=C][Ring2][Ring1][Branch1],CNC(=O)C1=CC=CC(CCNC(=O)C2=C[NH1]C3=CC=CC(F)=C23)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0350>,2.639100000000001,0.6684544244974151,2.1358687876392644,1.2064033348478111
[C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O],CCN(CC(=O)C1=CC=C(OC)C=C1)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C03C0>,1.1594,0.7283080606553995,1.994221195222682,1.6473191080543157
[C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][S][N][=Ring2][Ring1][Branch1],CC=1C=C(C)N2N=C(C)C(C(=O)NCC=3N=CN(C)N=3)=C2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0430>,0.7130599999999996,0.7690951948236121,2.8432353370102117,1.0022406371078487
[C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring1][#Branch1][=Ring1][Branch1],CC=C1C(C(=O)CCC(=O)NCC2=CC=CC=C2C)=CC(C)=N[NH1]C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C04A0>,2.8123200000000006,0.8371017987692504,3.094088159253566,1.091420834592686
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=C][=O],CC1=CC=CC=C1CN2CC(C(=O)NCC3=CC=CO3)CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0510>,2.2529200000000005,0.9208630337720377,2.503547039697388,2.100768129162801
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],CC(=O)C=C1C=C(C)C(NC(=O)CNC(=O)C2=CC(C)=NO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0580>,1.1882199999999996,0.7947631174157479,3.0407881246221846,0.9330274624565549
[C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring1][#Branch1],CCC1CCN(C(=O)C2=CC=C(N3C=NC4=CC=CC=C43)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C05F0>,4.287700000000004,0.7170444590324473,2.0169298452388134,1.568292449923423
[C][C][=N][NH1][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2],C1C=N[NH1]C21C=CC=C(C(=O)NC=3C=CN(C4CCCC4)N=3)C2=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0660>,2.17057,0.7949204623387143,4.605240484290274,-0.6306381725967025
[C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=C][S][Ring1][=C],CC(=O)NC1=NC(C2=CC=C3C(=C2)CCO3)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C06D0>,2.7034000000000002,0.9028483144962706,2.118615130133927,2.3956264423474263
[C][N][C][=C][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][O][Ring1][=C],CN1C=CN=C1S(=O)(=O)CC2=CC=C(C(=O)N3CCCCCC3)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0740>,2.0032,0.8409289917527364,2.52258348272305,1.6820614760406318
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][C][Ring1][Ring1][=N][Ring1][P][C][=N][Ring2][Ring1][#Branch1],CC=C1C=C(C=NOC(CCCC(=O)N(CCC#N)C2CC2)=N)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C07B0>,2.955650000000001,0.3960203850814361,3.893001346066752,-1.9128994206595715
[C][O][C][=C][Branch1][C][F][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P][O][C],COC1=C(F)C=C(C(=O)N(C)CC2=CC=CO2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0820>,2.708100000000001,0.8502420045368795,2.1389218697690406,2.1122881529153563
[C][C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][=C][C][Ring1][#C][=O],CCC1NC=C(C(=O)N(CCO)CCC)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0890>,0.4421999999999995,0.7214940047327082,3.6155398469897655,-0.008069823326224412
[O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O],O=C(CC1=CC=CS1)N2CCN(C3=NC=CS3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0900>,2.0959000000000003,0.8693167600691142,2.2101027896783627,2.1364810106672083
[C][C][Branch1][C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1],CC(C)(C)N1C=NN=C1SCC(=O)NCCC2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0970>,3.211800000000002,0.8163464665728248,2.615592339817031,1.4661399930470935
[C][C][N][N][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Ring2][Ring1][Ring1][=O][C][C][Ring1][Branch2],CCN1N=C(C2=CC=C3C(=C2)OCCO3)C=CC(=O)NC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C09E0>,1.2897999999999996,0.8923039621245079,3.0185321483955487,1.442987662226991
[C][C][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=N][Ring2][Ring1][=Branch2],C1C=CCNC(=O)CCC=C(C)C=2C=NN(C3=CC=CC=C3)C=2C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0A50>,3.160700000000002,0.8145017548798106,3.692268743344684,0.38024003105436854
[C][O][C][=C][C][=C][Branch1][S][C][=N][N][C][=C][Branch1][C][N][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C],COC1=CC=C(C=NN2C=C(N)N=C2C)OC(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0AC0>,1.5398200000000002,0.8431905545323339,4.152435850336492,0.06351692232517703
[O][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N],O=C(CSC1=CC=NC=C1)N2CCN(CC3=CC=CO3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0B30>,2.1111000000000004,0.7906534457887414,2.1645247773051004,1.7887424516386066
[C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C],CCCC(=O)NCC(=O)C1=CC=C(OC)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0BA0>,1.8028,0.7634887225128875,1.8858551565422683,1.931588456022169
[O][=C][Branch2][Ring1][Branch2][C][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][C][=C][C][=N][Ring1][=Branch1],O=C(CNC1=NC(N2CCOCC2)=NC=C1C3=NC)CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0C10>,0.14510000000000112,0.7934061248633338,3.95713195695227,0.009898667364399483
[C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C],CCC(C)C(C)NC(=O)C(C)SC1=NC=CN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0C80>,2.4515000000000002,0.8069652555423373,3.3028379139844777,0.7319883637272087
[C][N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1],CN1N=C(C(=O)NC2=CC=C(Cl)C=N2)C(=O)C3=CC(Cl)=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0CF0>,2.887600000000001,0.7718397866270286,2.254258282589218,1.6049406505459247
[C][C][Branch1][C][C][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch2][C][=Ring1][=N][C][#N][C][C][Ring2][Ring1][C],CC(C)CCNC=1CC2=CC(OC)=C(C#N)C=C2C=1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0D60>,2.993360000000002,0.9004408501394985,2.9902526389998094,1.5119516116976826
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][Ring1][O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1],O=C(NC1=CC=CC(C=2N=CON=2)=C1)C=3C=CC(=O)[NH1]C=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0DD0>,1.6771999999999996,0.760673109983925,2.39191070744352,1.4114548424761049
[C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][N][=C][O][N][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][O][Ring2][Ring1][=Branch1],CN1N=C(C(=O)NCC2=CC=CO2)C3=C1N=C4ON=C(C)C=C4C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0E40>,1.8616999999999997,0.9317195448673017,3.5495304628528945,1.109067261483614
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Branch2][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][Ring1],C1C(C)C=NOC1CCNS(=O)(=O)C2=CC=C(F)C=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0EB0>,2.558300000000001,0.8994378787640702,3.7342072675506417,0.7629821262697094
[C][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][=C][C][=Ring1][Branch1][=C][Ring2][Ring1][#Branch1],C1C=CC=CC1C(C)(C)CNC(=O)NCCCCC=2OC=CC=2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0F20>,4.368420000000003,0.6955109829807323,3.5716544269455754,-0.09409951204191369
[C][C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2],CCCN(CC(=O)OC)S(=O)(=O)C1=CC=C(OC)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C0F90>,1.408,0.7105408444252826,2.0745106533992015,1.4781935687272116
[C][C][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][Branch1],CCC1CCC(NC(=O)C2=CC=CC(C3=NN=C(C)S3)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB040>,4.212120000000003,0.9138193778547784,2.1870516610857216,2.3820452281881703
[C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][O][O][Ring2][Ring1][Ring2],C1C=NC=C1CNC(=O)C2(C3=CC=CC(Cl)=C3)CCC2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB0B0>,2.207100000000001,0.8956462662764896,3.8955984346593944,0.5826328967230534
[C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][=C][Ring2][Ring1][=Branch1],COC1=CC=CC(CN(C)C(=O)C2=CC=C(C(=O)N(C)C)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB120>,2.669200000000001,0.8486459212363736,1.785536300493515,2.4576933056883528
[O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][O][Ring1][Branch1],O=C(NC(C1=CC=CC=C1)C2=CC=C3N=N[NH1]C3=C2)C4=CC=CO4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB190>,3.0703000000000014,0.605487995349725,2.9191588434900915,0.10828113325853339
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Ring1][N][N][=C][Ring2][Ring1][=Branch1],C1OC=CC=CC1NC(=O)C=2N=NN(C3=CC=CC=C3C)C=2N=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB200>,2.1063199999999997,0.8737914670640862,3.8942208247421526,0.47473651057827837
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NN(C)C=C1C(=O)N2CCCC2CCC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB270>,2.9659200000000014,0.8699288299725488,2.582613241292929,1.767030908569815
[C][C][N][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring2][=O],CCN1CC(C(=O)OCC2=CC=C(N3C=NC=N3)C=C2)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB2E0>,1.1789,0.7745172625760162,2.729392494242843,1.1431938186372381
[O][=C][Branch1][=C][N][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(N1CCC2=CN=CC=C21)NCCOC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB350>,2.2327000000000004,0.875472511162439,2.107704414476835,2.26965814133536
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][Branch1][C][C][=N][N][=Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1][O][C],COC=CC=C(COC(=O)CC1=C(C)C(C)=NN1)C=COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB3C0>,2.3588400000000007,0.45325489735429747,3.640950847729002,-1.3746763609575146
[C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2],CN(C1CCCCC1)S(=O)(=O)NC2CC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB430>,2.2527,0.9272799789645922,2.3840974665860166,2.252302428236945
[C][C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=C][Branch1][C][F][C][=C][Branch1][C][N][C][=C][Ring1][Branch2][F][C][=C][Ring1][P],CCC1=CC=C(CNC2=C(F)C=C(N)C=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB4A0>,3.7215000000000016,0.824010892004926,1.9960739072400475,2.123980552784583
[C][O][C][=C][C][=C][Branch2][Ring1][=N][N][N][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch2],COC1=CC=C(N2N=NC(C(=O)NCC3=CC=CN=C3)=C2C4CC4)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB510>,2.478300000000001,0.7392205845734594,2.206820874079046,1.489282048788251
[O][=C][Branch2][Ring1][Branch2][N][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Ring2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1],O=C(NC(C(=O)NCC1CCC1)C2CCCCC2)C3=CN=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB580>,2.071599999999999,0.8361687259276703,2.808210791297336,1.3726328383410156
[O][=S][=Branch1][C][=O][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O],O=S(=O)(CC1=CC=C(F)C(Cl)=C1)N2CCC(N3C=CN=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB5F0>,2.2375,0.8401562849884555,2.589237051080344,1.6115443738619337
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1],O=S(=O)(NCC1=CSC(C2=CC=CS2)=N1)C3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB660>,2.7451000000000008,0.776885229838711,2.3471240744044266,1.5373020747891282
[C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CN(CC(=O)NC1=NC=CS1)S(=O)(=O)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB6D0>,2.0556999999999994,0.8990913039236917,2.0482343366125413,2.447222183005917
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(C)C1NC(=O)CC2=CC=CC=C2C1NC(=O)NC3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB740>,2.6413,0.8043788975241543,3.3165539052251027,0.7053405823956682
[C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1][C],CC1=CC=C(NC(=O)CNC(=O)C2=CC=C(N(C)C)C=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB7B0>,2.737940000000001,0.8884227705816407,1.7497817550389705,2.692332097869233
[C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=N][=N][Ring2][Ring1][Ring1],CC(C)N1C=CC(CN2CCCC(C(=O)NCCOC)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB820>,1.4385999999999999,0.7744366988900768,2.7595333759969343,1.11265011845345
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(COCC(=O)NC2=CC=C(N)C(F)=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB890>,2.947820000000001,0.819440042154513,2.9150656363472898,1.1821345744252758
[C][N][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][N][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][Ring2],CN1C=C(S(=O)(=O)NCC(N2CCOC(C)C2)CC)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB900>,0.19770000000000065,0.811073285689925,3.414315755614301,0.6410506728353242
[O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Ring2],O1CC=CC=C1CN(C2=CC=CN=C2)C3=CC=C(Cl)C=C3O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB970>,4.049000000000003,0.9244773209828857,3.11740340526368,1.5049831996507486
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O][=C][Ring2][Ring1][Ring2],CC1=CC=C(F)C(S(=O)(=O)NCCC(C(=O)N(C)C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EB9E0>,1.52682,0.8652592858511309,2.764183614428452,1.562112814827202
[C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O],CC(C1=CC=CO1)N(C)C(=O)C2=CC=CC(N3C=NN=N3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBA50>,2.0885,0.7366006769071661,2.838883570963258,0.8441198135725725
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1],COC1=CC=CC(CC(=O)NCCC(=O)NCC2=CC=CN=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBAC0>,1.4553999999999994,0.7690196069657987,1.8422394929532295,2.002858541875764
[C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][=Branch1][=C][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1],C1C=C(S(=O)(=O)NC2CN3CCCC3C2)CN=C1C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBB30>,1.2810999999999995,0.8508047341783948,4.076526126967086,0.17749754392488803
[C][C][C][C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][Ring1][#C][NH1][N][=Ring2][Ring1][Ring1],CC=1CCC2=C(C=NC(NC(=O)C3=CC(C)=NO3)=N2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBBA0>,2.06392,0.9018871806117116,3.0795166051080374,1.4299192979505202
[C][#C][C][S][C][=N][C][=N][C][S][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][C][C][C][=Ring1][O][C][Ring1][S][=O],C#CCSC1=NC=NC=2SC(C(=O)OCC)=C(C)C=2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBC10>,2.26192,0.48884869110249185,2.9358563525276615,-0.4916128970152025
[C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F],CC(SC1=CC=C(F)C=C1)C(=O)N(C)C(C)C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBC80>,3.7155000000000022,0.623984986401817,3.2066780652399647,-0.08675313323087952
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][Ring1][N][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(CN(C(C)=O)C2=NC(C3=CC=CC=C3C)=N[NH1]2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBCF0>,3.341820000000002,0.7755306991178084,2.3676065991235546,1.5100468964654872
[C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2],CCCNC(=O)CN(C)C(=O)C1=CC=C(OC)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBD60>,1.4324999999999997,0.8584615401462339,1.8650747697504144,2.4272329309807548
[C][O][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][Branch2],COCCNC(=O)C1=NC=CC2=C(N)C=C(Cl)C=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBDD0>,1.8465999999999998,0.6613037197948001,2.269551120592732,1.0369674783812681
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1],CC(C)OC(=O)C1=CC=CC=C1S(=O)(=O)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBE40>,1.2727000000000002,0.7828393843214879,2.0012934878061746,1.9129034338012652
[O][=C][Branch2][Ring1][Ring2][C][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][N][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(CC1=CSC(NC2=CC=CC=N2)=N1)NC3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBEB0>,2.8579,0.7571390514036112,2.160692587955989,1.625002669062067
[C][S][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1],CSC1=CC=C(OCC2CCCN(C(=O)C=3C=COC=3)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBF20>,3.932700000000003,0.7786142533229443,2.697353521275513,1.1957177453392083
[C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][N][Ring2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][O],CC1=C(CNC(=O)NC2=CC=CC(C(F)(F)F)=C2)C=NN1C(C)(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EBF90>,3.2169200000000022,0.7869966739321114,2.6181293073591902,1.3168540623013665
[N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1],NC1=CC=C(C2=NN=C(CC3=CC=CC(F)=C3)O2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF040>,3.048700000000001,0.7420774237055733,1.984504920059873,1.7258821984679935
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][N][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][N][=C][Ring2][Ring1][Branch2],COC1=CC=C(F)C(NCC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF0B0>,2.777100000000001,0.7119106665335901,1.9009194789262516,1.6586338537416991
[C][C][=N][N][=C][S][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][Ring1][=N][C][=Ring1][P][=O],CC1=NN=C2SC(C3=CC=C(F)C(Cl)=C3)=NN2C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF120>,2.2534000000000014,0.8648612626004502,3.720836774966372,0.6034695380358785
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][Ring2][Ring1][C],CC1=CC=C2C(=C1)C(=O)CC(C3=CC=C4C(=C3)OCCO4)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF190>,3.4727200000000016,0.8079931543111903,2.7004766684907295,1.3394891030652225
[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N],CCOC(=O)CNC(=O)C=1C=NN(C)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF200>,-0.7047999999999992,0.6609090430302593,2.221069047799137,1.0834761673521598
[C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N],CCOC(=O)N(C)CC(=O)NC1=CC=C(F)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF270>,1.4347,0.8097927729733301,2.059553015922708,1.9894108489439422
[C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C],CC1=NN(CC(C)C)C(C)=C1CC(=O)N2CCC(C)CC2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF2E0>,3.3454400000000017,0.8553822568830338,3.1623222783240204,1.1145890060911485
[C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][C][O][C][Ring1][Branch1][Ring2][Ring1][=Branch1],C1C(NC(=O)NCCC2=CC=CC(C#N)=C2)C3CCOC31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF350>,1.5773799999999998,0.8816806309767556,3.435439926205312,0.9729632286784664
[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][P][O][C][C][O][Ring2][Ring1][=Branch1],COC1=C2C(C(=O)N3CCC(C)CC3C(C)C=C)C=C2OCCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF3C0>,2.8541000000000016,0.7424212373736157,4.804997930544827,-1.092891743676749
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(C2CCCN2S(=O)(=O)C3=CC=C(F)C=C3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF430>,3.3601000000000028,0.8606047531232054,2.2690276959641977,2.0339960696518293
[C][C][=C][N][C][C][=Branch1][C][=O][NH1][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C][=Ring1][Branch2][C][=C][Ring1][#C][C][=Ring1][=C][C][Branch1][C][C][Branch1][C][C][C],CC=C1NC=2C(=O)[NH1]C(C(N)=O)=C(O)CC=C1C=2C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF4A0>,0.2815000000000003,0.5981768641304238,5.0949855659407675,-2.1041012452886485
[N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][N][C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][Ring1][Branch2],NC1=CC(F)=CC2=C1CCNC2C3=CC4=C([NH1]C3=O)CCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF510>,1.8200000000000003,0.7034671783636378,3.453244010523698,0.06409188129449106
[C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][=N][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][#Branch1],CC1=CC(C(=O)NC2=CC=CC(F)=C2C#N)=NC=CC(F)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF580>,3.311600000000001,0.9180721026695673,2.769632315781937,1.8207281975658995
[C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NC(N2CCOCC2)=NC3=C1CCC(=O)N3CC4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF5F0>,2.1010199999999997,0.8577237826069622,2.3247905407077276,1.9638283723270833
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][Ring1][N],CCN1C=NN=C1CNC(=O)C2=CC(=O)C3=CC(C)=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF660>,1.6428199999999995,0.7907240548684221,2.433981193092176,1.5196390812499345
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C],CCCCNC(=O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF6D0>,-0.649999999999999,0.7416660344105495,2.2562088026184046,1.4521213694343427
[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][#Branch1],N#CC1=CC=C(OC2CCN(C(=O)CCCN3C=NC=N3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF740>,1.9999800000000003,0.803539480860158,2.375918886334702,1.6417785179660882
[C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1],CC=CC=C(C(=O)NCCC(C1=C[NH1]C2=CC=CC=C2C1)CC)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF7B0>,3.772400000000003,0.24933412596726914,3.9547937437157197,-2.708123113879374
[C][O][C][=C][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=N][Ring1][S],COC1=CC=C(CNC2=CC=CC=C2)C(OC)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF820>,2.7109000000000005,0.8778449399783874,1.8994677928558197,2.489756907036117
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][=N][C][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(C2=CC(C(=O)N(CC(C)C)CC(C)C)=NC=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF890>,3.906400000000003,0.7661062663686443,2.241826487012762,1.5887048448304593
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][S],CN(C)C1=CC=C(NC(=O)C2=CC=C(Br)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF900>,3.767400000000002,0.9339386450411432,1.5435894369933116,3.1261037882124043
[O][=C][Branch2][Ring1][N][C][N][C][C][N][Branch1][P][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][N][C][C][O],O=C(CN1CCN(C(C(N)=O)C2=CC=CC=C2)CC1)NCCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF970>,-1.0608999999999973,0.5946757431213834,2.4953292344257356,0.4780494811811815
[N][#C][C][C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Ring1][P],N#CCCN1C(C2=CC=CC(N)=C2)=NC3=CC(Cl)=CN=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EF9E0>,3.247580000000001,0.7524715994467727,2.4851259281244786,1.2772320691093846
[C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=Branch1][=N][Ring1][N],CC(=O)N1CCCCC1C2=NC(C)=NC3ON=C(C)C3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFA50>,1.3911000000000002,0.7308712911851617,4.44741229385105,-0.7930558379252415
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][O][C][Ring1][=Branch1],CC(C)CC(=O)NC1=CC=C2C(=C1)N=C3N2CCOC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFAC0>,2.551100000000001,0.9346602565671575,2.3914793581444727,2.2818219246913145
[C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][C],CCN1C=C(Cl)C(NC(=O)N(C)CC2=CC=C(C)O2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFB30>,3.1217200000000016,0.9425788329930881,2.5094791520347943,2.2034150129306465
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][#N][C][=C][Ring1][=C][Ring2][Ring1][Branch1],CC1NC(=O)C(C)(C)C2=CC=C(S(=O)(=O)NCCC#N)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFBA0>,1.34698,0.8176102675508785,3.314053025237798,0.7739983125165946
[O][=C][Branch1][P][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1],O=C(NC1=CC=CN=C1N2CCCC2)N3CCOCC3C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFC10>,2.3245000000000005,0.9296399347191547,2.8939895717921598,1.754210101803614
[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1],CC(C1=CC=C(F)C=C1)N(C)C(=O)C=2C=CC(=O)[NH1]C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFC80>,2.3472,0.9336754923046369,2.5484661390380694,2.119911322485115
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],CCS(=O)(=O)NCC1=CC=C(C(F)(F)F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFCF0>,2.1447000000000003,0.9081425694430856,1.9694204279944039,2.571292419221024
[O][C][C][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=N][C][C][O][Ring1][Branch1],OCCN1N=C(C2=CC=C(Cl)C=C2Cl)C3=C1CCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFD60>,2.7841000000000014,0.9477239357770858,2.7003181742937468,2.038301504591682
[O][=C][Branch1][P][C][O][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(COC1=NC=NC2=CC=CC=C12)NC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFDD0>,2.7864000000000004,0.8039727611374787,1.824581530263682,2.195282275423711
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][=C][Ring1][O],CS(=O)(=O)NCC(=O)NCC1=CC=CC(C2OCCO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFE40>,-0.10259999999999914,0.764452960407626,2.388147662153159,1.4341171398849708
[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1],CC1=C(Cl)C=CC=C1S(=O)(=O)NCCNC(=O)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFEB0>,1.4529199999999995,0.780065412507575,2.0097414364170785,1.8905856261207967
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][Ring1][=N],CC(C)(C)OC(=O)N1CCN(C2=CC=C(N)C=C2Cl)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFF20>,2.9368000000000007,0.8097758852483302,2.380220923596566,1.6686585026450853
[C][C][C][N][C][Branch2][Ring1][Ring2][S][C][Branch1][C][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][NH1][Ring1][Branch2][=N][NH1][C][Ring1][S][=O],CCCN1C(SC(C)C2=NC(C(C)C)=N[NH1]2)=N[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9EFF90>,2.0761999999999996,0.796130563347506,3.40015564952758,0.5804971672099501
[C][C][=C][S][C][Branch2][Ring1][Ring1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][=N][Ring2][Ring1][Ring1],CC1=CSC(CNC2=NC3=CC=CC=C3N=C2CC)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4040>,3.5692200000000014,0.7954515853567999,2.3338696415452826,1.643388285238717
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][#Branch2][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][N],CC(C)CNC(=O)C1=NC2=C(S1)CN(C(C)C(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C40B0>,2.9315000000000015,0.9093683780783861,3.1504228047118525,1.396419085680078
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=CC=CC=C1CC(=O)OCC(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4120>,2.7194200000000013,0.8583700023879416,1.5714574665860148,2.7203925453536932
[C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1],C1C=CC=CC1C(=O)NC(C)C2=CC=C(S(C)(=O)=O)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4190>,2.708020000000001,0.9278664564567596,3.345357402183212,1.2939748801005857
[C][C][=C][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][P],CC1=CC=CC2=NC(C(=O)NCCC3=CC=CC(Cl)=C3)=CN12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4200>,3.268620000000001,0.8032806883070223,2.112178302241702,1.904225139293409
[C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch1][C][O][=C][Ring1][#Branch2][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][Ring1][Ring1],COC1=CC=C(OCC)C(O)=C1CN(C(C)=O)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4270>,2.3104000000000005,0.867807181530267,2.3324286159042575,2.006607291747078
[C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C],CCN1C(C)=CC(C(=O)NCCNC(=O)C2=CC=CN=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C42E0>,1.6796399999999996,0.7965738692341505,2.075748907589217,1.9071204385815355
[C][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],CCC(C)OC1=CC(Cl)=CC=C1C(=O)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4350>,3.4095000000000013,0.88784990478745,2.401477994556485,2.0377715293807643
[C][C][C][=C][N][C][=Branch2][Ring1][#Branch2][=N][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][NH1][Ring1][O][N][=N][N][Ring2][Ring1][Ring2][C],CCC1=CNC(=NC(=O)C2=CC(C3=CC=C(C)O3)=N[NH1]2)NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C43C0>,1.7653199999999998,0.7983551365984388,3.752358707885076,0.239416975107118
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],NC(=O)C1CCN(C(=O)C2CC2C3=CC=CC=C3)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4430>,2.7959000000000005,0.9449453624081372,3.1836335946581666,1.5410932173825191
[C][C][=C][C][Branch2][Ring1][=N][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][=N][O][Ring2][Ring1][Branch1],CC1=CC(CN(C)C(=O)NC2=CC=C3C(=C2)CC(=O)N3)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C44A0>,2.1415199999999994,0.9087756224439854,2.449246434109835,2.094631678110092
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P][N],CC(=O)C1=CC=C(N2C=NC(C3=CC=NC=C3)=N2)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4510>,2.1140999999999996,0.5858254846446902,2.4436359281244773,0.48549149509897394
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring1],COC1=CC=C(F)C(NC(=O)C(C)OC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4580>,3.240300000000002,0.918867062798852,2.062220224597942,2.532115089396318
[C][C][C][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][C][C][Branch1][C][C][O][Ring2][Ring1][C],CC1CN(CC(O)C2=CC=C(Cl)C(N)=C2)CC(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C45F0>,2.0648,0.8344582434750591,3.2805574522271392,0.8917337651481567
[N][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1],N#CC1=CC=C(Br)C=C1CNC(=O)C2C=C[NH1]C(=O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4660>,1.5867799999999994,0.8806322275410541,3.4757169432338735,0.9274441944713967
[O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(NCC1=CC=CC=C1OCC2CC2)NC3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C46D0>,3.1921000000000017,0.8603831305339509,1.9394072514175242,2.3625084012522297
[O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][=N][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][=C],O=C(NCCO)C1=CC=C(NC2CCC(O)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4740>,1.1240999999999992,0.6504914295714931,1.987217819682936,1.2652393281745296
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N],CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=CN=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C47B0>,3.2136000000000005,0.879220303616039,1.9076648863005286,2.488436631779666
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][#C][Ring1][O],CC(=O)OC1=CC=CC(=O)CC(CC(C)C)=C(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4820>,3.715100000000003,0.574878176011134,3.775008123041161,-0.9006172429854908
[C][C][N][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][P][C],CCNC1=C(C#N)C(=O)N(C2=CC=C(C)C(C)=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4890>,3.0662400000000014,0.9402818732070023,2.603939166990875,2.0974701990441362
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][C][=C][Ring2][Ring1][Branch1],CC(=O)C1=CC=C(NC(=O)C2=CN(C3=CC=CC=C3)N=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4900>,3.635620000000002,0.7468048661151264,1.8499678718633206,1.8840564587123114
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][#Branch2][Ring1][#C],O=C(NC1CCCCC12)C3=CC=CC(=C3)NC(=O)CSC=NC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4970>,2.6888000000000005,0.7677056111740429,5.179854171543969,-1.3413261156737546
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],CCC(=O)NC1=CC=C(NC(=O)N(CCC#N)CCC(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C49E0>,3.8287800000000027,0.7593564202554028,2.1615789578361717,1.6352031434408425
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][=N],CCCCNC(=O)CN1CCOC(C2=CC=C(C)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4A50>,2.2846200000000003,0.8173498144493858,2.422792845197682,1.6639562270492476
[C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][N][Ring1][N][C][Branch1][C][O][=C][Ring1][P],COC=CC1=CN=C(C2=CC=NC=C2)C(C)=NNC(O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4AC0>,2.6222199999999996,0.8463585164630794,3.4800274605822974,0.751765121733099
[C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C],CC1=CC=CC(C(C)C)=C1NC(=O)NCC2=NN=CN2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4B30>,2.56862,0.9074793416991574,2.2854857954984826,2.251910912997305
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring2][Ring1][C],CS(=O)(=O)N1CCCN(C(=O)C2=CC=CC=3C=C[NH1]C2=3)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4BA0>,1.2753999999999996,0.9052354295236038,2.252566285226459,2.2736108623915596
[C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC(C(=O)NCC2=CC=C(C)C(F)=C2)=CC(OC)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4C10>,3.089920000000001,0.8825026090139783,1.8256020347592496,2.586911010310642
[C][C][=C][C][N][=C][Branch1][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][=Ring1][#C][C][=C][Ring2][Ring1][Ring1][C],C1C=C2CN=C(C)N(CC(=O)N(C)C3CC3)C2C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4C80>,1.9861999999999997,0.7372429434568963,4.135736348828278,-0.4495216315437962
[C][C][=N][C][Branch2][Ring1][#Branch2][C][O][C][C][O][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][=N][O][Ring2][Ring1][=Branch1],CC1=NC(COCCOC(CNC(=O)C2=CC=CN=C2)C)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4CF0>,1.124719999999999,0.6911606690503722,2.9505260606764097,0.5052772845754516
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1],O=S(=O)(C1=CC=CC(C(F)(F)F)=C1)N2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4D60>,3.270100000000002,0.8407051289083549,1.8478293618250028,2.355696282716772
[C][=C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][S][C][O][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C],C=C(C)COC1=CC=CC(COCC(O)C(C)(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4DD0>,3.565100000000003,0.7749844118692438,2.7672521996441297,1.1076698597020895
[C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][NH1][C][Branch1][N][C][=C][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][Ring1][N],CCCN1N=C(C)C=C1C2=N[NH1]C(C3=CN=CC(N)=C3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4E40>,2.0308199999999994,0.763009750463018,2.90427208197063,0.9107766703444602
[C][#C][C][N][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S],C#CCN1CCN(S(=O)(=O)NC2CCCCC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4EB0>,0.40430000000000055,0.7610492724028953,2.473020738396313,1.3322256236181635
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],COC1=CC=CC=C1OC(=O)CC2=CC=CC(C(F)(F)F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4F20>,3.8621000000000025,0.6352067161241509,1.821702424021563,1.3543311565991916
[C][O][C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=N][Ring1][S],COCCOC1=CC=C(C(=O)NC2CCCC(C)C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9C4F90>,2.4153000000000002,0.8180006147745789,2.8450630500440095,1.2449400238288852
[C][C][C][=N][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N][C][C][=Ring2][Ring1][#Branch1],C1CC=NN1CCC(=O)NCCOC2=CC=CC(F)=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB040>,1.2739799999999997,0.7696522621149633,2.8881673132307135,0.960093997344103
[O][=C][Branch1][S][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][=Branch2][N][C][C][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2],O=C(C1=CN=C(C2CC2)N=C1)NCC34CCC(CC3C)C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB0B0>,2.9101000000000017,0.9251114137288662,4.589154576498111,0.0364024921462196
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][C],CC(=O)C1=C(C)[NH1]C(C(=O)C(C)OC2=CC(C)=CC(C)=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB120>,4.101180000000003,0.8453803070123974,2.7163442310306447,1.5105573040313427
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S],CC(=O)NC1=CC=C(C(=O)CSC2=CC=NC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB190>,3.0150000000000015,0.6777672219038298,1.889675309561479,1.4991607999576697
[C][O][C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2],COCC(C)(C)NS(=O)(=O)C1=CC=C(C)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB200>,1.83742,0.8917553458790691,2.2984743457955155,2.16030238359983
[N][#C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],N#CC1=CC(N)=CC=C1OC2=CC=C(C(F)(F)F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB270>,3.9515800000000016,0.8459363589917658,2.042259571615215,2.1874222233436136
[C][C][C][C][NH1][N][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][C][C][C][C][C][=C][Ring1][#C][C],CCCC[NH1]N=C(C(=O)N(C)C(CC)CCC)C=CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB2E0>,3.3453000000000017,0.3790315766628,3.8213496355415657,-1.9261917522275656
[C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1],CN(C(=O)CC1=CN(C)C2=CC=CC=C12)C3(C#N)CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB350>,2.6254800000000005,0.8680171504761172,2.577840172156307,1.7622455802242785
[C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][Branch1][C][C][C],C=CCNS(=O)(=O)C1=CC=CC=C1N2CCNC(=O)C2(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB3C0>,0.8656999999999997,0.7881534344859866,2.728574126417527,1.212193046012406
[C][O][C][=C][C][=C][C][Branch1][#Branch2][N][C][=Branch1][C][=O][N][C][C][O][=C][C][=C][Ring1][=N][N][Ring1][S][C],COC1=CC2=CC(NC(=O)NCCO)=CC=C2N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB430>,1.3007,0.7779601423128554,2.355893645991859,1.5339070655724178
[C][O][C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],COCCNC(=O)CNS(=O)(=O)C1=CC=C(O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB4A0>,-0.5668999999999997,0.5829799062990619,1.9303838547671184,0.9845156767281913
[C][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][S][C][Branch1][C][C][C][#N][N][Ring1][#Branch2][C][C][Branch1][C][C][=C][Ring1][P][N],CC=C1C=C(C2=NN=C(SC(C)C#N)N2)CC(C)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB510>,2.7749800000000002,0.8339982484176253,4.480918446730376,-0.3109272046422502
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],CC1=NOC(C)=C1CN(C)CCN(C)C(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB580>,2.5901400000000008,0.8357817358107641,2.4887420819706296,1.6901665970831905
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][C],CCS(=O)(=O)N1CCN(C(=O)NCCCN2CCCC2=O)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB5F0>,-0.32419999999999805,0.6673515008489879,2.3144133306661416,1.022344173578798
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],O=C(CCCC1=CC=CC=N1)NCCNC(=O)C2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB660>,1.3454999999999995,0.7206397932393405,2.0005652609187248,1.6026337052779773
[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C],CC1=N[NH1]C(C)=C1CCC(=O)N2CCCC2CC(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB6D0>,1.42844,0.8944322994863053,2.982473351183039,1.489688146248488
[O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][=N],O=C(CCC1CCCC1)NC2CCN(CC3CCCCO3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB740>,3.1065000000000014,0.8168086174276948,2.6364957850696626,1.4475473020688119
[C][C][O][C][=C][C][=C][Branch1][S][C][=N][N][=C][Branch1][#Branch1][S][C][C][C][C][#N][N][=C][Ring1][N][N][=C][Ring2][Ring1][C],CCOC1=CC=C(C2=NN=C(SCCCC#N)N=C2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB7B0>,2.72818,0.5738442839285236,2.6686907831055624,0.2005306365370556
[C][O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(CNC(=O)C2=CC=CN=C2C)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB820>,2.3372200000000003,0.9161576548185976,1.84443032186633,2.7363579522266575
[C][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2],CC=NC(C)=CC(=O)NC1=CC=C2C(=C1)NC(=O)CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB890>,1.9504999999999997,0.6521984767781397,2.9933050811057225,0.2676873027849762
[C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][=N],CCCCCNC(=O)C1=CC=C(Cl)C(N2CCNC2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB900>,2.789600000000001,0.7937848204429997,2.1229515734960547,1.845972528718944
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][C],CCC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C(N)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB970>,2.3863000000000003,0.789776722407473,1.6724666960507566,2.2764169159866086
[C][O][C][=C][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(NS(=O)(=O)C2=CC=CC(C(F)(F)F)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DB9E0>,3.514800000000001,0.9325725477880009,1.7458872033406045,2.9169755355994003
[O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][C][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][#C],O=C(C1CCCO1)NC2CC=C(COC3=CC=CC=C3F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBA50>,2.7546000000000017,0.9082271866321625,3.4523101899565134,1.088825743204299
[C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][S][Ring1][P],CC(=O)N1C=NC(C(=O)NC2=CC=NC(C)=C2C=C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBAC0>,1.83622,0.861881484412052,4.2274155096674395,0.08199191239282033
[N][#C][C][N][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],N#CC=1N=NN(C2=CC=C(O)C=C2)C=1C3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBB30>,3.1649800000000017,0.7879355691134987,2.3268666973552463,1.6128111482122471
[N][#C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],N#CC(NC(=O)C1=CC(O)=CC=C1O)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBBA0>,2.7458800000000005,0.7599505587300882,2.6332496091234106,1.1665031845270306
[C][O][C][C][N][C][=N][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][Ring1],COCCNC1=NC=C(N2CCN(C3=CC=CC(Cl)=C3)CC2C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBC10>,2.836500000000001,0.7853144764645331,3.186202764541484,0.7403696177811816
[C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][S][Ring2][Ring1][Ring1],C1C=CN=C(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBC80>,0.1431,0.804227180322433,3.3946758666014407,0.6264600350107248
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][Branch1][C][N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Ring2],COC1=CC=CC(C=C(N)N=NNCC2=CC=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBCF0>,3.248400000000001,0.6351382519998809,2.7877387418021407,0.38795251819726406
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][N][N][=C][Ring2][Ring1][Branch1],CC1=CC=C(NC2=NC=NC(NCC3=CC=CO3)=C2N)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBD60>,2.7109199999999998,0.6648874862855849,2.3972779244944498,0.9271595069334748
[C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2],CC1CCCCC1NC(=O)NC2=CN=C(N(C)C)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBDD0>,2.2428,0.888664789605006,3.042231214014267,1.4010927340107626
[C][N][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1],CN1C=C(CC(=O)N(CC2=CC=CS2)CC3=CC=CO3)C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBE40>,2.1394,0.7520871591614503,2.8224013114353728,0.9380344843718786
[N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],NC(=O)CSC1=NC=CN1C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBEB0>,1.5888,0.8393007271284574,2.050151197225171,2.146352438417116
[C][C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC(OC1=CC=CC(N)=C1)C(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBF20>,3.3091000000000017,0.658404955031172,2.327375091366953,0.9646496837889069
[O][=C][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][Branch1][N][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N],O=C(CCC1CCCO1)NC=2C=NN(C3=CC=CC=C3F)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9DBF90>,2.9091000000000014,0.9237241897689515,2.648263687721501,1.9703572611232563
[C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][O][C],CCCNS(=O)(=O)C1=CC(C(C)C)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764007A040>,2.506900000000001,0.8645971611608612,1.9315096567611452,2.391476149043161
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring1][P][C][Branch1][C][C][=N][Ring2][Ring1][Branch2],CC1=CC=C(C2=CSC(NC(=O)CC3=C(F)C=CC=C3F)=N2)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A0B0>,4.281340000000003,0.7563461583243811,2.297198488923895,1.4845323026980104
[C][C][C][=C][C][=N][C][Branch2][Ring1][Branch2][C][N][C][C][Branch1][Ring1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][NH1][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2],CC1C=CC2=NC(CN3CC(CO)C(C4=CC=CC=C4)C3=C)[NH1]C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A120>,1.9351,0.883256838757049,4.909309703718822,-0.4930255099335774
[C][O][C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1],COCCN1C(SCC(=O)NC2=CC=CC=C2Cl)=NN=C1C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002764007A190>,3.1861000000000015,0.7264560989788428,2.126795247428932,1.5054852474652818
[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O],CCC(=O)N(CC1CCCO1)C(=O)C2=CC=NC(N3C=CN=C3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007A200>,1.8251000000000002,0.8365804706276755,3.1515131324344594,1.0313892207039181
[N][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][O][C][=Ring1][N][C][=N][Ring2][Ring1][Branch1],NC(=O)CC1=CSC(NC(=O)C=2C(C3=CC=CC=C3F)=NOC=2C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A270>,2.5257200000000006,0.7261477273648117,2.3505417856271915,1.2801968511968669
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S],CC(=O)NC1=CC=C(S(=O)(=O)NC2CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A2E0>,2.2560000000000002,0.8945535268616216,1.776895740446383,2.6958718938617245
[O][=C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O],O=C(NCC1=NC2=CC=CC=C2[NH1]1)C3=CC4=CC=CC=C4C(=O)[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002764007A350>,2.3343999999999996,0.5413007210059908,2.148640056737271,0.5578635482926826
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1],CC(C)C(=O)N1CCCC(C(=O)NC2=CC=C3N=C(C)OC3=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A3C0>,2.9693200000000015,0.9391227732006212,2.69138914701041,2.0042247189926963
[C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][C][=C][C][=C][S][Ring1][Branch1],CC(NC(=O)C1CCN(C(=O)NC2=CC=CS2)CC1)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002764007A430>,3.930900000000003,0.8644509315399043,2.7724676474846284,1.5497870102148932
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][N][=C][Ring2][Ring1][C],C1CCC(=O)NC=CC=CC1N2N=NC(C3=CC=CC=C3)=C2N=C,<rdkit.Chem.rdchem.Mol object at 0x000002764007A4A0>,3.1883000000000017,0.8824821989974445,4.196197407367197,0.21621358762002618
[O][=C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2],O=C(OCC1CCCCO1)C2=CC=C(O)C(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007A510>,2.7715000000000005,0.8583386363910824,2.4794343340153464,1.8122588479400656
[C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Branch1],CC1=CC=C(OC2CCN(C(=O)C3=CC=CC=C3)CC2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A580>,3.073620000000002,0.8738945493547194,1.9362139821867554,2.433258764586842
[O][=C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][C],O=CCN(C(=O)C1=CC=CS1)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007A5F0>,2.7329000000000008,0.7953161348058887,2.2670606748606943,1.7095199991687493
[O][=C][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(CC1=CC=CC(F)=C1F)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007A660>,3.2851000000000017,0.9061307948652351,1.6799975647146468,2.8506564096115286
[N][C][=N][N][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1],NC1=NN(CCOC2=CC=CC=C2)C(=O)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002764007A6D0>,2.0576999999999996,0.7943258588521367,1.9040925485532298,2.0675367457074536
[C][C][C][=N][N][Branch2][Ring2][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][Ring1][P][C][Ring2][Ring1][=Branch1],C1CC=NN1C2CCCN(C(=O)C=3C=NN(C(C)(C)C)C=3)C2C,<rdkit.Chem.rdchem.Mol object at 0x000002764007A740>,2.3227,0.84098698665973,4.058324731431829,0.14661020186682183
[C][C][C][=C][N][=C][Branch1][S][N][C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring1][C],CCC1=CN=C(NC(CCO)C2=CC=CC=C2)C(C#N)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764007A7B0>,3.359700000000002,0.8570915691304545,2.956325187411327,1.3291326582409457
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][O][C][=Ring1][=N][C],CCOC(=O)C(C=1)C=C(NC(=O)C2=CC=NO2)OC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002764007A820>,1.3591000000000002,0.8361131691935977,3.853044415761346,0.3275214302066427
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(C2CCCN2C(=O)C3=C(C)C=CC=C3C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A890>,4.289340000000004,0.8462349055743985,2.3348288793961522,1.8963456484758403
[O][=C][Branch1][S][C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CN1SC2=CC=CC=C2C1=O)NC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002764007A900>,2.0967000000000002,0.8011819926344453,2.2947065115718086,1.7112034516004178
[C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1],CC1=CC=C2C=CC=C(C(=O)NCC3=CC=C4C(=C3)OCO4)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007A970>,3.201920000000002,0.8048749755715772,2.0414490677262815,1.9829258101316043
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1],O=C(CN1C(=O)C=NC2=CC=CC=C21)OCC(=O)NC3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002764007A9E0>,1.3885999999999994,0.8286775926208833,2.135741620792027,2.0076463423123894
[C][C][NH1][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][P][=Ring1][=C],CC[NH1]C=CC(C1=CC2=NC=C1)=NN(CC(=O)N(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007AA50>,1.2833999999999999,0.8896368345718411,4.6880068810914,-0.23982270823219487
[C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl],CCN(CC(C)(C)O)S(=O)(=O)C1=CC(F)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764007AAC0>,2.2606,0.9074170454620614,2.3851082841838576,2.1519769431264493
[C][N][N][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O],CN1N=C(C(=O)NCCCOCC(F)(F)F)C2=CC=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764007AB30>,1.6322999999999996,0.809428791916882,2.252042594199809,1.7951013653846015
[C][C][NH1][C][=Branch1][C][=O][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][C][=Ring1][#C][C],CC[NH1]C(=O)C(C(=O)OC(C)C)=C(C(C)C)OCC,<rdkit.Chem.rdchem.Mol object at 0x000002764007ABA0>,2.0206999999999993,0.25285509021393565,2.9693340298667454,-1.7050585787970671
[C][C][Branch1][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)(C)C(NC(=O)NC1=CC=C2C(=C1)COC2)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002764007AC10>,4.625700000000003,0.8648844094845141,2.7249132504749873,1.5995087969475827
[C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Branch1][C][C][C][=Ring1][N][C][Ring2][Ring1][Branch1],CCC1CCN(C(=O)NC=C2C(C3=CC=CN=C3)=NN(C)C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007AC80>,2.0564999999999998,0.9289238143103459,3.6371547320050794,1.00746433954665
[C][C][=C][C][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][C],CC1=CC=2N=C(C(=O)N(C)C(C)CC3=CC=CO3)C(=O)[NH1]C=2C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764007ACF0>,2.836140000000001,0.7925515917929485,3.083567685022423,0.8791902739423194
[C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][F][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][C],CC1=CC=C2C(=C1F)C(CC(=O)C3=CC=C(C)N=C3)CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002764007AD60>,4.530440000000004,0.7790268680611016,3.030571837535396,0.864562502770112
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][#C],CC(C)(C)CC(=O)N1CCN(C(=O)C2=CC=C(O)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002764007ADD0>,2.1128,0.9100900282738045,1.9447202802636792,2.6057298611053437
[N][#C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][C][=Branch1][C][=O][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],N#CC(NC(=O)CSC=NC(=O)[NH1]C(C(F)(F)F)=N)C1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007AE40>,2.3781500000000007,0.5438109133623337,3.9484886962362724,-1.2294341294246038
[C][=C][N][=C][NH1][N][=C][Branch2][Ring1][Ring2][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],C1=CN=C[NH1]N=C1CC2=NN=C(C3=CC=CC=C3)O2,<rdkit.Chem.rdchem.Mol object at 0x000002764007AEB0>,1.7802999999999998,0.9041856892269439,3.190302384820064,1.3306260613146552
[Cl][C][=C][C][=C][Branch2][Ring1][N][C][=C][S][C][Branch2][Ring1][C][N][C][=N][C][=N][C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][F],ClC=CC=CC=C1SC(NC=NC=NC2[NH1]N=CC2=CN1)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002764007AF20>,2.4302,0.540754025710966,6.285704650083678,-3.5819345215288485
[C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S],CCOC(=O)N1CCN(C(=O)CC2=CC=C(Cl)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002764007AF90>,2.1832000000000003,0.8596032849628853,1.766687688228778,2.5313287365856487
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N],CC(C)(C)OC(=O)NC1C=CC=C(N2C=CN=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077040>,2.885620000000001,0.90255780607223,3.5643483768003072,0.9484406535608425
[O][=C][Branch2][Ring1][Branch1][C][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CNC1=CC(F)=C(F)C(F)=C1F)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400770B0>,3.5378000000000016,0.40229661915985404,2.092526145041788,-0.08104304924251782
[C][N][C][C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][S][C][=Ring1][#C][C][Ring2][Ring1][Ring1],CN1CCC=2N=C(NC(=O)C3=CN=C(C)C=N3)SC=2C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077120>,1.4817200000000004,0.9064916648304567,2.5051587103711945,2.0272996137810892
[C][C][Branch1][C][C][C][N][N][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl],CC(C)CN1N=NC(CO)=C1C(Cl)(Cl)Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640077190>,2.2531000000000003,0.8588006348998944,3.2454443614074666,1.048558813092006
[C][#C][C][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2],C#CCNC(=O)NCCNC(=O)C1=CC=C(C)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077200>,0.7963200000000001,0.5500660169214077,2.175446984202628,0.5748831004044104
[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][C][O][C][C][C][C][C][C][Ring1][=Branch1],CC1(C)COC(=O)C1OC(=O)C(OCCOC2C)CCCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640077270>,1.8454999999999995,0.7244142528227362,4.257456277384934,-0.6353850132712529
[C][C][Branch1][C][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Branch1][C][C][C][#N],CC(C)CN(CC1=CC=C2C(=C1)OCO2)C(C)C#N,<rdkit.Chem.rdchem.Mol object at 0x00000276400772E0>,2.785380000000001,0.8163310824763225,2.976958690786402,1.10469672159521
[C][C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][C],CCC1CCCN(C(=O)C2=CSC(C=3C=CSC=3)=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077350>,4.1338000000000035,0.8538203840495079,2.786064489652972,1.4830374305945675
[O][=C][Branch1][P][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O],O=C(NC1=CC(F)=C(F)C=C1Cl)C2=CC=CC(OCC(F)F)=N2,<rdkit.Chem.rdchem.Mol object at 0x00000276400773C0>,3.9094000000000015,0.6581420338181726,2.4129683444024046,0.8777418246884583
[O][C][=C][C][=C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][C][N][C][C][Ring1][=Branch1],OC1=CC=C(C(O)C2=CC=C(O)C=C2)C3=C1CNCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640077430>,1.8251999999999997,0.6721438869734078,3.0269136031529023,0.3338058317141366
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C],CC1=CC(C)=C(C(=O)C(C#N)C2=CC=CC=N2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x00000276400774A0>,3.496940000000002,0.797176490163116,2.7682423628142914,1.2176400880012883
[C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][N][C][=Branch1][C][=O][N][=Ring1][Branch2],CCCCOC1=CC=CC=C1CC=C(N)C(=O)N,<rdkit.Chem.rdchem.Mol object at 0x0000027640077510>,1.7358999999999998,0.5695402028428964,2.422460349068839,0.42524066514564307
[O][=C][Branch2][Ring1][C][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][C][=C][O][C][=Ring1][Branch1][C][=N][Ring1][=Branch2],O=C(NC1CC1C2=CC=CC(Cl)=C2)C3=CC=4C=COC=4C=N3,<rdkit.Chem.rdchem.Mol object at 0x0000027640077580>,3.767100000000002,0.800699789223104,3.1693515848755194,0.8341473612400012
[C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1CCCCN1C(=O)C2=CC=CC=C2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400775F0>,4.368200000000003,0.799123883697407,2.1303348376314784,1.8652845808555565
[C][C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2],CCOCC(=O)NC1=NN=C(C2CCCC2)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077660>,2.1707,0.875436886810136,2.244952924069757,2.1322315099809224
[N][C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring2][Ring1][C],NC=1C=CC(=O)N(CCCCC2=CC=CC(F)=C2)C=1,<rdkit.Chem.rdchem.Mol object at 0x00000276400776D0>,2.592500000000001,0.8399278217852377,2.0265104819860564,2.173128626940132
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][#C],CC(C)(C)C1=CC=C(S(=O)(=O)N2C=CN=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077740>,2.726020000000001,0.8484106519526305,2.1850969073254216,2.056956352437731
[C][C][N][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CCN(C1=CC=CC=C1S(=O)OC)CS(=O)(=O)C=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x00000276400777B0>,1.3468,0.7438824430207064,3.6704120746624227,0.04900014044110934
[C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],COC1=CC=C(N)C=C1NC(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640077820>,2.529700000000001,0.8127548998563731,1.476942122824493,2.586832376457372
[O][=C][Branch2][Ring1][Ring1][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#Branch2][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2],O=C(NCC1(C2=CC=CC=C2Cl)CC1)C3=CC=C4[NH1]N=NC4=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640077890>,3.0729000000000006,0.7737078412277919,2.581664947799009,1.2868742583399504
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C],CN(C)S(=O)(=O)NC(C1=NN=C2C=CC=CN12)C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640077900>,1.2125,0.9202707259642898,3.257280757285594,1.3440728725358548
[C][O][C][=C][O][C][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][C][Ring2][Ring1][C][=O],COC1=COC(CN(C)CC2=CC=C(F)C=C2Cl)=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640077970>,3.0729000000000015,0.850860319954365,2.364272798151001,1.890028801620824
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][N][C][=C][Ring2][Ring1][Ring2][Cl],C1OC=CC=C1N2N=CC(C(=O)N3CCCC3)=C2NC=C,<rdkit.Chem.rdchem.Mol object at 0x00000276400779E0>,2.0593,0.9201142145538587,3.4372635447701265,1.1633075279991667
[C][C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(OC(=O)CSC1=NN=NN1C2CC2)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640077A50>,2.5436000000000005,0.6011421480163276,2.766784740761203,0.2389259993204349
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CCS(=O)(=O)NCCNC(=O)NC1=CC=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640077AC0>,1.0558199999999993,0.6828540718561235,1.9456172867197825,1.4686530725608349
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N][Cl],CC(=O)N(C)CC1=CN=C(N2CCC(C)CC2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640077B30>,2.949600000000001,0.8600808257424817,2.4111991520347953,1.889204976677613
[C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][S][Ring2][Ring1][Ring2],CC1=NC(C(=O)N2CCN(C3=CC=CC(O)=C3)CC2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077BA0>,2.11952,0.9230811899071076,2.096099774278324,2.5193061752572143
[C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][S][Branch1][C][C][=O][C][Branch1][C][F][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1],CC1CCCN(C(=O)NC2=CC=C(S(C)=O)C(F)=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077C10>,2.826900000000001,0.9124602542342356,3.0823592110172635,1.4799420601539142
[C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=CC(N)=CC=C1NC(=O)C2CC2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640077C80>,3.319420000000002,0.8372587316751968,2.557456156177368,1.628837502198616
[C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O],CCC=1N=NSC=1C(=O)NC2=CC(C)=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x0000027640077CF0>,2.366820000000001,0.833547525434091,2.2472206567611455,1.9205169704093095
[O][=C][Branch2][Ring1][N][N][C][C][C][=C][Branch1][P][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][O][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(N1CCC=C(C2=C[NH1]C3=CC(F)=CC=C23)O1)CC=CN=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640077D60>,3.4162000000000017,0.8793642620118158,3.7393712415053013,0.6574500685537776
[C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(NC(=O)N2CCC(NC(=O)CC3=CC=C[NH1]3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077DD0>,2.678320000000001,0.8001238497471225,2.238283928484334,1.7623353202512781
[C][O][C][=Branch1][C][=O][C][C][S][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][=C],COC(=O)CCS1C=NC(C(C)(C)C)=NC(C2CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077E40>,2.760700000000001,0.6403539090437436,4.6847573278492565,-1.4829877826305387
[C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][=Branch2][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1],COC1=CC=C2N=C(C(=O)N(CCC(N)=O)C(=O)C)C=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077EB0>,1.1075,0.8899525309180053,2.374618893852954,2.075143760737072
[C][C][=C][C][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][=N][Ring2][Ring1][C],CC=C1C=C(N2C=C(C)C=N2)C(NC(=O)CC(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640077F20>,2.5106200000000003,0.9187229195985037,3.438568662524305,1.1550459354682134
[N][C][C][=Branch1][C][=O][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],NCC(=O)C=C(C1=CC=C(Cl)C(Cl)=C1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640077F90>,3.9529000000000014,0.8690790271226929,2.280851234951877,2.0645439006615875
[C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(S(=O)(=O)N2CCN(C3=NC=CC=C3C#N)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070040>,1.47278,0.8226199805587632,2.0548083326013433,2.0582915701924724
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],CCC1=CC=CC(C)=C1NC(=O)CC2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x00000276400700B0>,3.509820000000002,0.9397025985559428,1.9849397729738332,2.7135732198058813
[C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1],CC=1N=C(C2=CC=CS2)SC=1C(=O)N3CCC3C4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x0000027640070120>,4.7672200000000045,0.6880881551056177,2.6772931309195975,0.763147644608491
[O][=C][Branch1][P][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(CCOCCOC1=CC=CC=C1)NCC2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640070190>,3.441900000000002,0.7150118595871785,1.7753482689554652,1.7997110289804272
[C][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][S][Ring2][Ring1][=Branch1],C1C=CC=CCNC(=O)C(C)(C)OC2=CC(F)=CC(F)=C2S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070200>,3.456500000000002,0.7937892369803825,3.977383552948486,-0.008437368046573468
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1],CCC1=NOC(C)=C1NC(=O)C2=CC(C)=NC=3ON=C(C)C2=3,<rdkit.Chem.rdchem.Mol object at 0x0000027640070270>,2.9507600000000016,0.798804094031981,2.6649649713103383,1.3290554988495669
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CNC(=O)C(C)(C(=O)NC1=CC=CC=C1SC)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400702E0>,2.9638,0.5570251440874463,2.9363916728427863,-0.15126595240555485
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][C][=C][C][=C][O][Ring1][Branch1],COC(=O)C1=C(C)N(CC(=O)NC2=CC=CC=N2)C(=O)OC1C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x0000027640070350>,2.2536000000000005,0.8025291239333098,3.178865672433493,0.8337799472330563
[C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1],CC=1SC2=CC=CC=C2C=1S(=O)(=O)N(C)CC=3C=C(C)ON=3,<rdkit.Chem.rdchem.Mol object at 0x00000276400703C0>,3.3268400000000016,0.7329659693137727,2.5336557657617895,1.1311740808070736
[C][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],C#CCN1C(=O)C2=CC=CC=C2NC1(C)C3=CC=CC=C3OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640070430>,3.0690000000000017,0.8861857900270486,3.0169607137156778,1.4139682364195654
[O][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][N],O=C(CSC1=CC=NC=C1)N2CCCN(C3=NC=CS3)CC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400704A0>,2.3691000000000004,0.8035932604057969,2.333547972571372,1.6844183294576123
[C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C],CCOC(=O)C1=CSC(C(=O)NC2=CC=C(OC)C(OC)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070510>,2.5893000000000006,0.8160349923804693,2.0436626095122943,2.0365123523900523
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][=C][Ring2][Ring1][Branch1],C1C=CC=C(F)C1S(=O)(=O)N=CC2=CC(F)=C(F)C=C2N=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640070580>,3.227500000000002,0.796865670150154,4.388474120413808,-0.4041457696630384
[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][=N][O][Ring2][Ring1][Ring2],COC1=CC(C(=O)OCC2=CC=CC=C2N3C=CC=N3)=NO1,<rdkit.Chem.rdchem.Mol object at 0x00000276400705F0>,2.2259,0.672089734943568,2.625246193725218,0.7352024809926223
[C][C][C][=C][Branch1][#C][N][C][Branch1][C][C][C][C][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1],CC=1C=C(NC(C)CCC2=CC=CS2)N(C(C)(C)C)N=1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070660>,4.441220000000004,0.88221751641101,3.0537022229541515,1.3573853591008982
[C][N][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Ring2][Ring1][Ring1][O][C],CNC(=O)C=CN(CC(=O)NCC1=CC=CC=C1)C(=O)C=COC,<rdkit.Chem.rdchem.Mol object at 0x00000276400706D0>,0.5512000000000001,0.5378748921014309,2.9609239635767004,-0.27154950306954584
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Ring2],COC1=CC=CC(C(C)NC(=O)NCC2=CC=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070740>,3.394700000000001,0.8891580232672419,2.198201366071375,2.2475887502648346
[C][C][Branch1][C][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(C)(CC(=O)NCC1=CC=NC(OC(C)(C)C)=C1)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x00000276400707B0>,3.6380000000000026,0.8711177473525322,2.629225818116442,1.7263629186462186
[C][C][N][=C][NH1][C][=Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],CC=1N=C[NH1]C=1C2=NC=CN2CCCNC(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640070820>,2.4964200000000005,0.8311567018215001,2.8101861566823434,1.3455973524251572
[O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][S][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][Ring1][P],OCC=C(C1=CC=C(Cl)C=C1)N=C2SC(C)=NN2CC,<rdkit.Chem.rdchem.Mol object at 0x0000027640070890>,2.8604200000000004,0.9438699586435295,3.000485300885943,1.7188644923317042
[C][C][Branch1][Ring1][C][#N][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1],CC(C#N)(NC(=O)CN(C(=O)C1=CC=CS1)C2=CC=CN=C2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640070900>,2.5983800000000006,0.8637874121015066,3.0933345268762213,1.2256025336313119
[C][O][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][S][Ring1][P],COCCC1=NN=C(NC(=O)C=2C=NN3C=CC=CC=23)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070970>,1.627,0.7744327447075227,2.4690655624246034,1.40309816111301
[C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][=N][N][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][#N][N][Branch1][C][C][N][=Ring2][Ring1][Branch1],CC=1C=C(C(=O)NCCC=2C(C)=NN(CC)C=2C#N)CCN=1,<rdkit.Chem.rdchem.Mol object at 0x00000276400709E0>,1.5327999999999997,0.8946996534737955,3.3194976320921796,1.1540006352767982
[O][C][C][=C][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=N][Ring2][Ring1][Ring1],OCC1=CN(C2=CC=C(C(=O)C3=CC=NC=C3)C=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070A50>,1.9905999999999997,0.741553861519809,2.2689863694863934,1.4387829381126513
[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][C][N][N][=N][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][S],COC(=O)C1=CN=C(N2N=NC(C#N)=C2CC(C)C)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070AC0>,1.5805799999999999,0.7937872349205157,3.1014248863005287,0.8675112883020502
[C][C][Branch1][=C][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(SC1=CC=C(C#N)C=C1)C(=O)NCCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640070B30>,2.7927800000000005,0.8331431523664014,2.522296757776445,1.6434190040555618
[C][N][Branch1][Branch1][C][C][C][#N][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=N][N],CN(CCC#N)CC1=CC(=O)N(C2CC2)C(=O)N(C)C1N,<rdkit.Chem.rdchem.Mol object at 0x0000027640070BA0>,0.09948000000000123,0.7750469311992569,3.7676277353075722,0.10760692068871247
[C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][C][Ring1][Branch1][Ring1][=Branch2][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2],C1C=CC(C(=O)N2CCOC3CCCC32)=NC(C4=CC=NC=C4)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070C10>,1.618899999999999,0.8300417499059987,3.967025613883549,0.18318313564644395
[C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1],CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640070C80>,2.6195000000000004,0.8614469446464078,2.3646504179271837,1.9425843053048553
[C][N][Branch1][=C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O],CN(CC1=NC=CN1C(F)F)C(=O)C2=CN(C3=CC=CC=C3)N=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640070CF0>,2.1311,0.71766368807705,2.5901995460714655,0.9981188943137846
[C][C][C][=C][Branch2][Ring1][N][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][O][N][=Ring2][Ring1][#Branch1],CC=1C=C(C2CCCN2C(=O)C3=CC=C(Cl)C4=CC=CN=C34)ON=1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070D60>,4.161920000000004,0.7018042444137192,2.8605612929695763,0.6484599290990198
[C][C][C][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][#Branch2][N][C][=Branch1][C][=O][C][C][O][=C][C][=N][Ring1][N],CCCC(=O)NCC=C1SC(NC(=O)CCOC)C=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070DD0>,1.0405,0.7016488554624482,3.931866119058048,-0.4236218417458075
[C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][O][C][Ring1][=Branch1][C][=C][Ring1][P],COC(=O)N(C)C1=CC=C(NC(=O)NCC2(C)CCOC2C)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070E40>,1.9704,0.8287876668251234,4.4079362355527065,-0.26399790142708923
[O][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1],O=C1CN(C(=O)CCN2C=CC3=CC=CC=C32)C4=CC=CC=C4N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070EB0>,3.016700000000001,0.8066151420073329,2.2297903864076005,1.8032853236290638
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Ring1][#Branch2][C][N][=Ring2][Ring1][Ring1],CC=1C=C(C)N(C(=O)C=2N=C(C)N(CC(C)C)C=2)CN=1,<rdkit.Chem.rdchem.Mol object at 0x0000027640070F20>,2.6255200000000007,0.8504247650641503,3.3651824620581046,0.8869413632626468
[C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][P][O][C],COC1=CC(C(=O)NC2=CC=CC=C2)C=CC(Cl)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640070F90>,3.438200000000002,0.9267119896907009,3.303849429291554,1.3297105191619503
[O][=C][Branch1][S][C][N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2],O=C(CNCC(=O)C1=CC=CS1N)C2=NN=C(C3CC3)S2,<rdkit.Chem.rdchem.Mol object at 0x0000027640065040>,1.0430000000000001,0.5120462282252016,4.548257251977343,-1.9880261108513353
[C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][=C][Ring1][=N],CNC(=O)CCC1=CC=C(NC(=O)C2CC2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400650B0>,1.9596999999999998,0.8499314352187465,2.530372455976593,1.7192847201171393
[C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F],CC1=NC2=NC=NN2C(C)=C1CCC(=O)NC3=CC(Cl)=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x0000027640065120>,3.104940000000002,0.7867477649165552,2.297819256343635,1.635919568239141
[C][S][C][=N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2],CSC1=NC=C2C=C(NC(=O)CC3=CC=CC4=CC=CC=C34)C=CC2=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065190>,4.686100000000003,0.42430409901415345,2.107552161528437,0.013968333542330402
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][S],COC(=O)C1=CC=CC(C(=O)OCC(=O)C(C)(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065200>,2.2452000000000005,0.789925859489425,1.9062586110663293,2.043370686380795
[N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][N][C][C][=N][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O],NC1=CC(F)=C(F)C=C1CNC=2C=NN(C3=NC=CC=N3)C=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640065270>,2.1348000000000003,0.7215650462601322,2.5986486319120328,1.0091765993886281
[C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],CC(CO)NC(=O)C(C1=CC=CC=C1)C2=CC=C3C(=C2)CCC3,<rdkit.Chem.rdchem.Mol object at 0x00000276400652E0>,2.8042000000000007,0.8920768822554407,2.825844027760498,1.6345403835167058
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][C][=C][Branch1][=C][C][=C][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring2][Ring1][C],COC(=O)C1=CC(N)=CCC=C(C2=CC=NC=3[NH1]C=NC2=3)N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065350>,1.1915999999999998,0.7189949045199596,3.6090420385054376,-0.014067515905639372
[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],CCCC(C)C(=O)N1CCN(C2=CN=CC=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x00000276400653C0>,1.5614000000000001,0.8260269820219222,2.6514161170079777,1.478718793101633
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2],CCC1=CC=C(CCC(=O)N(C2=CC=CC=N2)C(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065430>,4.018200000000004,0.8064037982585536,2.116894076789734,1.9151249145030338
[C][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][=C][Ring1][S][F],CNC1=CC(C(=O)N2CCOCC2(C)C)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x00000276400654A0>,2.1184,0.8911715350959823,2.4296308961872395,2.0262267792926725
[C][C][=C][C][Branch1][=C][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Ring1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C],CC1=CC(NCC=2C=NN(C)C=2C)=CC=C1C(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640065510>,2.35084,0.9383556701560174,2.2261966568694174,2.4655816939106696
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][=C][Ring1][#C],CNS(=O)(=O)C1=CC=C(C)C(NC(=O)C=2C=CSC=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065580>,2.21692,0.908938647818535,2.0387250261606678,2.5059682129320073
[C][C][Branch1][C][O][C][C][C][O][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C],CC(O)CC1COCC(OCC2=CC=C(F)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400655F0>,2.518300000000001,0.8915037168620016,3.3657858545940034,1.0917327297160044
[C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1],C=CCOC1=CC=CC=C1NC(=O)C2=CC(C)=NO2,<rdkit.Chem.rdchem.Mol object at 0x0000027640065660>,2.8001200000000006,0.8374178583889045,2.107466892242467,2.079622399702055
[C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][N][Ring1][O][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1],CNC1=CC2=CC(C(F)(F)F)=CC(=O)N2C1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400656D0>,3.030400000000001,0.9251579740298619,3.4152546752687893,1.2105351948805199
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][=C][Ring2][Ring1][Branch1],CN(C)C(=O)C=CC=CC(NC(=O)COC1=CC=CC=C1C#N)=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640065740>,1.7675799999999995,0.6116387335665548,2.888829307486521,0.16936436034625313
[C][#C][C][C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1],C#CCC(OC(=O)CC1=CC=C(N2C=NN=N2)C=C1)C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x00000276400657B0>,2.1056,0.5103958144883233,3.1879145562280584,-0.6359354837864419
[C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(NS(C)(=O)=O)C(=O)N(C)CCCOC1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065820>,0.8516000000000004,0.7219256376053018,2.5350997277887757,1.0745284602377332
[O][=C][O][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][Ring2][Ring1][#Branch2],O=COC(C1=C[NH1]C2=CC=CC=C12)C=3C=NN(C4=CC=CC=C4)C=3N,<rdkit.Chem.rdchem.Mol object at 0x0000027640065890>,3.198200000000001,0.5495754604322712,3.1210523049885186,-0.3731750028271623
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N],COC(=O)C=C(C)NC(=O)CC1=CC=C(N2CCCC2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065900>,1.5488999999999995,0.6603942962733903,2.3503765518199877,0.9515949295469639
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][O][C][C][=C][Ring1][#Branch2],C=CCN1C(=O)C2=CC=CC=C2NC1C3=CC=C(O)C(OCC)=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640065970>,3.543400000000002,0.8258951429925575,2.834973883959151,1.294501831003637
[C][C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][Branch1][C][C][C][=Ring1][#C][C][=Branch1][C][=O][O][C],CC=1OC(C(=O)NCC2CCCO2)=C(C)C=1C(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x00000276400659E0>,1.59184,0.8479587348253402,2.8566261390380685,1.3831675350886323
[C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][#Branch1],CC=C1C=CC(OCC2CCC3C2OCCN3C(=O)NCC4CC4)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065A50>,2.4741,0.8512921987489536,4.473868916476898,-0.2174079227321304
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N],COC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC(N3CCCC3=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640065AC0>,2.8523000000000014,0.8699409821858278,1.8567849306511803,2.492919980277959
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],CCOC1=CC=CC=C1NCC(=O)N(C)CC2=CC=C(OC)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640065B30>,3.1644000000000014,0.8085669942319383,1.8398988673384338,2.2029361038212576
[C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][=C][C][Branch1][C][C][=N][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][O][C][Ring1][#C][C][C][Ring2][Ring1][Ring2],CCC(=O)N1CCC2(C=CC(C)=NC=C(C3=CC=CO3)NC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065BA0>,3.217100000000001,0.9071840390962165,4.318807507701646,0.21711268777943715
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O],CC(C)NC(=O)CNCC1(C)CSC2=CC=C(F)C=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640065C10>,2.3033,0.8758526946374052,3.3475352299471606,1.0317282432398658
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][O][C],CCOC(=O)NC1=CC=C(S(C)(=O)=O)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640065C80>,1.6671,0.9019351069648299,1.847154849068838,2.662520685755312
[C][C][=C][C][=C][S][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C],CC1=CC=C2SC(C(=O)NC3=NN=C(C)S3)=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640065CF0>,3.6219400000000013,0.7835849504663499,2.2231130460886206,1.694811706243129
[C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=N][N][Ring1][S][C],CC=C1C(S(=O)(=O)NCCC(C)C)=CC(C)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640065D60>,2.0609,0.8407780679964698,3.419730481986056,0.7841598579962934
[C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C],CC(NC(=O)C1=CN=C(C2=CC=CC=C2F)S1)C(C)NC(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640065DD0>,2.7272000000000007,0.8566468400829554,3.2999919780056786,0.9832422224090989
[C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C],CN(C(=O)CNC(=O)CNC1=CC(Cl)=CC=C1C(N)=O)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640065E40>,0.8338,0.6834862881277426,2.245801311435372,1.1716301292033409
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1],C=C1CC2=CC=CC=C2CC1C(=O)OCC3=NN=CN3C4CC4,<rdkit.Chem.rdchem.Mol object at 0x0000027640065EB0>,2.6274000000000006,0.6433409689394397,3.360296690047038,-0.1435918453498397
[O][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][N][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N],O=C(CSC1=NN=CS1)NC2C(COC3=CC=C(F)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640065F20>,2.743100000000001,0.7756328522999985,3.165800201437568,0.7123640600624244
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][#C],CNC(=O)C=CC=C(C=CC1=CC=CC(C)=N1)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640065F90>,2.651720000000001,0.6511850113466764,2.79019204137653,0.46573301535685196
[C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=N][S][C][=C][Ring1][=Branch2][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring2][C],C1C=C(CCC(=O)N(C)C2=CC=CC3=NSC=C23)NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008F040>,2.3732000000000006,0.9418037400701429,3.5384605435090926,1.1705581568416221
[C][C][=N][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][O][=C][S][Ring2][Ring1][Ring1],CC1=NC(C(=O)NC2=CC=CC(C=3C=N[NH1]C=3)=C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F0B0>,3.0939200000000016,0.7760580206608022,2.2543067768237997,1.6259833264802115
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O],CC(=O)C1=CC=C(C=C1NC(=O)CC2CC2)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008F120>,2.0313000000000003,0.8428179580277073,2.0057262453188685,2.208363544819668
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][C][S][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#C][N][Ring1][P][C][C][=C][Ring2][Ring1][=Branch1],CC1=CC2=C(C=NN=C(S(=O)CCCC(=O)N(C)C)N2)CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F190>,1.7087999999999999,0.8503483855937028,4.388558949662423,-0.13681702169390864
[O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][N][=C][N][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=C][Ring1][=N][N][C][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1],O=C(C=C1C=C2N=CN=C(NC3CC3)C2=C1)NCCC4(O)CCCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002764008F200>,0.7533999999999992,0.6565685897351242,3.4621999510021233,-0.1793570023265021
[C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C],CC1=NN(C2=CC=CC(Cl)=C2)N=C1S(=O)(=O)C=3C(C)=NN(C)C=3C,<rdkit.Chem.rdchem.Mol object at 0x000002764008F270>,2.41226,0.7113627067135191,2.80018025961132,0.7566332739562753
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1],COC1=CC(OC)=CC(C(=O)NC2=CC(F)=CC=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F2E0>,3.403620000000002,0.9380093453680519,1.6844982623419842,3.0055484644982755
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][S],N#CC1=CC=CC=C1N2CCN(C(=O)CCC3=CC=NC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764008F350>,2.23468,0.8666228354993772,2.0544051116823265,2.27870906581456
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(C(=O)CCC(=O)NCC2=CC=CC=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F3C0>,3.1136000000000017,0.7987984289578003,1.6978110155773845,2.296181129211617
[O][=C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2],O=C(NC1=CC=CC2=CC=CC=C12)N3CCOC4(CCCC4)C3,<rdkit.Chem.rdchem.Mol object at 0x000002764008F430>,4.016700000000003,0.8641970189318424,2.6872745181013364,1.6337105765578759
[N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][C][N][Ring1][=C][C][C][O],NC(=O)N1CCC2(CC1)CN(CC3CCCO3)CCN2CCO,<rdkit.Chem.rdchem.Mol object at 0x000002764008F4A0>,-0.3113999999999976,0.7404316046974206,3.7861536071202435,-0.0839955836331403
[C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][O][C][Ring1][=N][=O],CCOC(=O)C=C1C(=O)C2=CC(N)=C(Cl)C=C2OC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008F510>,1.5134,0.2920382110346075,2.7661157953914373,-1.3059247402184
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=N][C][Branch1][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][C][Ring2][Ring1][C],CC(=O)NCCN(CC1=NC(N)=C2C=CC=CC2=N1)C,<rdkit.Chem.rdchem.Mol object at 0x000002764008F580>,0.7798999999999997,0.8407198485278411,2.233962223962866,1.9696370186763392
[C][C][Branch1][C][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][C][N][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][=C][S][Ring1][#C],CC(C)C1=CC(C(=O)C2NCCC(CO)C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F5F0>,2.4147000000000007,0.8237087589565615,3.644061163296062,0.47448263148674563
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][O][Ring1][=N],CCC(=O)NC1=CC=C2C(=C1)CN(C(=O)C(C)C)CCO2,<rdkit.Chem.rdchem.Mol object at 0x000002764008F660>,2.4121000000000006,0.9297102194023963,2.1202796947027274,2.5282714023092545
[C][C][=C][S][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=N][Ring2][Ring1][Ring2],CC1=CSC(NC(=O)N2CC(C)(C)SC3=CC=CC=C32)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F6D0>,4.374320000000003,0.848439023766335,2.6777763453343866,1.5644187734972883
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][Branch2][C][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2],CC(C1)CC(=O)NCCN1CC2=CC(C3=CC=CS3)=N[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002764008F740>,2.0961999999999996,0.9126406716614792,3.1479999069883506,1.4152034513190452
[C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][=C][C][=C][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C],CC1=CC(NC(=O)N2CCC(CO)CC2)=CC=C1C(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764008F7B0>,1.93302,0.8939779381122993,2.1042188938529556,2.3656707967085406
[C][O][C][=C][C][Branch1][=C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][C],COC1=CC(C(O)CC2=CC=CC=C2)=CC=C1NC(=O)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764008F820>,3.565800000000002,0.8569587945663104,2.2594380362008852,2.0253559366306666
[C][C][C][=N][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][F],CCC1=NOC(CC)=C1CNC(=O)NC2=CC(F)=CC(F)=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002764008F890>,3.538400000000002,0.825572424586157,2.6993375751716364,1.4285245477591486
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1],CC(=O)C1=CC=C(NC(=O)CNCC2=CC=C3C(=C2)OCO3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008F900>,2.3462000000000005,0.7969882004248369,1.9240622354281456,2.060878766696039
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],CC1=NN(C)C(C)=C1CCC(=O)N(C)C2=CC=C(Cl)C(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008F970>,3.939340000000003,0.84553559098804,2.271853735283237,1.9558242196569626
[C][C][=C][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][Ring1][=N][S][Ring2][Ring1][=Branch1],C1C=CN=C1NC(=O)NC2CCN(C3=C(F)C=CC=C3F)C2S,<rdkit.Chem.rdchem.Mol object at 0x000002764008F9E0>,2.4145000000000008,0.7255679628400803,4.128128019153721,-0.500288204953319
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(CC(C)CNC(=O)CC2=COC3=CC=CC=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008FA50>,3.978900000000003,0.7093652350764963,2.4968696917113853,1.049956483671096
[C][C][Branch1][C][C][N][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][Branch1][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],CC(C)N1C(C2CCCN2CC3=CC(C)=NO3)=NC4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002764008FAC0>,4.250720000000004,0.7195665272725635,2.9509325304277727,0.6469001059350452
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)(C)C(=O)CSC1=NN=NN1C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008FB30>,2.3696,0.802282785539523,2.1281035153677674,1.8833104123298474
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C],CC1=CC=C2C(=C1)S(=O)(=O)N=C(N(C)CC3=CC=NC=C3)N2,<rdkit.Chem.rdchem.Mol object at 0x000002764008FBA0>,1.9922199999999997,0.9169072041829635,2.782181669841844,1.8023543510729736
[C][C][=N][N][Branch2][Ring1][Ring2][C][C][Branch1][C][O][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch2][Ring1][=Branch1],C1C=NN(CC(O)COCC2=CC=C(Cl)C=C2)C(=O)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002764008FC10>,2.9018000000000015,0.8632298928011637,3.0762658455575407,1.2398836184482773
[C][=C][C][N][C][=Branch1][C][=O][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2],C=CCN1C(=O)C(CC2=CC=CC=C2C)OC3=CC=C(N)C=C31,<rdkit.Chem.rdchem.Mol object at 0x000002764008FC80>,3.099920000000001,0.6972950468032185,2.902348642709761,0.5841265913063318
[C][C][O][C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][S],CCOCC1CCCN(C(=O)CCN2C=C(C)C=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008FCF0>,1.85672,0.7982592425652879,2.8265986233958156,1.1646975894306237
[C][O][C][=C][C][=C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][Cl],COC1=CC=C(NCC(=O)NC2=CC=CC=C2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764008FD60>,3.3992000000000013,0.887186967864385,1.571694742759858,2.8642400965620674
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][N][=N][Ring1][#Branch1][C][=C][Ring1][S],CC(C)(C)C1=CC=C(C(=O)NC2=CC=NC(N)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008FDD0>,2.6086,0.8785446528788974,1.9761907604264017,2.416532503968085
[C][O][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=N][O][Ring1][#C],COC(C)C=NOC(C1=C(C)C=C(C)C(C)=C1C=N)O,<rdkit.Chem.rdchem.Mol object at 0x000002764008FE40>,2.637730000000001,0.47697577920317397,4.498131291766702,-2.1132523957508322
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(OCCNC(=O)C2=CC=C(N)C=C2Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008FEB0>,2.7396000000000003,0.6337774232126095,1.7582250941594602,1.4106620219035877
[C][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1],CC=C1C=C(CC(=O)N(CC2=NC(C)=CS2)CC3CCCO3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008FF20>,3.7917200000000033,0.7883283794118445,3.62157600868864,0.3200658883705825
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2],CC(C)OC(=O)C1=CC=CC=C1NCC2=NC(C3CC3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002764008FF90>,3.1243000000000016,0.8259705316035577,2.256179684730183,1.8736729732876052
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][S][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring1][O][N][=N][Ring2][Ring1][Ring2],COC1=CC=C(C(=O)NC2CCSC3=C(F)C=CC=C32)N=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079040>,2.5912000000000006,0.9418825424119309,2.990356098435786,1.7190566136238683
[C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Branch1][C][C][S][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1],CC1=CC(C(=O)N2CCC(C)CC2)=C3C=C(C)SC3=N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400790B0>,3.7852400000000026,0.7996997117224948,2.3269465646222063,1.6715519939902674
[C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=N][C][Branch1][O][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][=N][C][=C][Ring2][Ring1][Ring2],C1=CC=C(CC2=NC(CNC3=CC=CC=N3)=NO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079120>,2.6675000000000004,0.7688036604078821,2.087387333852975,1.7566309681864354
[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2],CCC(=O)C1=CC=CC(OCC(=O)NC2=CC=C(OC)C(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079190>,3.6138200000000023,0.7890360878235382,1.8132741357925433,2.1319063033251475
[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O],O=C(CC1CCCC1)NC2CCCN(CC3=CC=CC=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640079200>,2.874100000000001,0.9083006212029429,2.459999445500541,2.081503660514173
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x0000027640079270>,3.602120000000001,0.7233610225713425,1.795720291302283,1.8210848215544297
[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][C][C][Ring1][=Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1],O=C(C1=CC2=C([NH1]C1=O)CCCC2)N(CC3=CC=CS3)C4CC4,<rdkit.Chem.rdchem.Mol object at 0x00000276400792E0>,3.120000000000002,0.9373551211973146,2.5507208918549527,2.13605471413162
[C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch2],C1C=CC=C1C(=O)NC2=CC=CC(=C2)N(C(C)C)C(=O)CO,<rdkit.Chem.rdchem.Mol object at 0x0000027640079350>,2.2451000000000003,0.8759464601716641,2.659717052016518,1.7200152488418023
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(CC2CCN(C(=O)CN3C=NN=N3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400793C0>,1.1629999999999996,0.827731546875431,2.196163883191973,1.9424938511851817
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1],N#CC=CC=CCC(=O)N(CC1=CC=CO1)CC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x0000027640079430>,3.427480000000002,0.579475701907639,2.891546674494448,0.00583183504374718
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1],C1OC2=CC=C(C=CSC1NC(=O)C3=CC=C(C)C=C3N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400794A0>,3.4296200000000017,0.8300135842227481,4.787604015753063,-0.6375360946393229
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(OC(=O)C2=CC=C(C(F)(F)F)C=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079510>,3.973620000000002,0.7933380390124023,2.809467033849076,1.1572231612129356
[C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][=N],CCCNC(=O)NCC1=CC=C(OC2=CC=CN=C2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079580>,2.4781000000000004,0.8550125044974862,2.082167706182485,2.192894816304946
[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][=N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][C][Ring1][Branch2][=O],COC(=O)C1=CC=CN=C1NCCC=NC(=O)[NH1]C(C)=CC=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400795F0>,1.5533,0.2594302581449141,3.3029876095122948,-2.005836318787724
[C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(CC1=CC=C2C(=C1)OCC2O)S(=O)(=O)CC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640079660>,2.0742000000000003,0.9095675431510956,2.7772071042482214,1.770630611507256
[C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][=Branch2][S][Ring1][N][O][Ring2][Ring1][=Branch1],CCC1=NC(C)=C(C(=O)NCC2=CC3=CN=C(C(C)C)N=C3S2)O1,<rdkit.Chem.rdchem.Mol object at 0x00000276400796D0>,3.6035200000000023,0.764589022156398,2.905539348192084,0.9174057625899059
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N],CCN(CC)C(=O)C1=CN=C(C2=CC=CC=C2)N=C1N,<rdkit.Chem.rdchem.Mol object at 0x0000027640079740>,2.2077999999999998,0.9241264002226205,2.0421064547320977,2.5785255463810044
[C][C][N][N][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][=C][Ring1][P][C][Branch1][C][C][C],C1CNN=CC1(C(=O)OCN2C=C(Br)C=N2)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x00000276400797B0>,1.7677999999999996,0.8550632602826187,4.3168640608879985,-0.041547759474904744
[C][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C],CC1=CC=C2C(C(=O)NCCCN3C=CC=N3)=CC(=O)OC2=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640079820>,2.4264400000000004,0.5771716737599314,2.3698115370216932,0.5160468317779636
[C][C][C][Branch1][Branch1][C][C][C][O][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][N],CCC(CCCO)NC1=NS(=O)(=O)C2=CC=CC=C2C1N,<rdkit.Chem.rdchem.Mol object at 0x0000027640079890>,0.9279000000000002,0.750009539647872,3.8330019625108536,-0.08295426427149355
[O][=C][Branch2][Ring1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CCNS(=O)(=O)CC1=CC=CC=C1Cl)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640079900>,2.7882000000000007,0.8041382052163298,1.8384645067016443,2.182226519380005
[N][C][C][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][S][C][=Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1],NC=1C=C(C2=CC=C3C(=C2)OCCO3)SC=1C4=CC=CC=N4,<rdkit.Chem.rdchem.Mol object at 0x0000027640079970>,3.8305000000000025,0.7812801818827646,2.4339389784885324,1.4724619309252907
[C][N][C][=C][S][C][Ring1][Branch1][=N][C][=Branch1][C][=O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O],CN1C=CSC1=NC(=O)CC=2N=C(C3=CC=CC=C3)ON=2,<rdkit.Chem.rdchem.Mol object at 0x00000276400799E0>,1.8065999999999998,0.7391290463945235,2.578395701138348,1.1172495308342696
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C],CCCCN(C)C(=O)NC1=CC=CC=C1C(=O)NC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640079A50>,3.4787000000000017,0.8745978169573712,2.010940567095492,2.3620485176913633
[C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=N][C][Branch1][C][N][=C][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2],CN1N=NN=C1SCC=NC(N)=C2C=CSC2=N,<rdkit.Chem.rdchem.Mol object at 0x0000027640079AC0>,0.7810699999999999,0.623793356934392,4.069580131874266,-0.9506133472023066
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring1][S],COC1=CC=CC=C1C2=NOC(CCC3=NC4=CC=CC=C4[NH1]3)=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640079B30>,3.4067000000000007,0.6095861581038455,2.136086108432055,0.9118446820871728
[O][=C][Branch1][S][C][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][Ring1][Ring2],O=C(CCC1=CN2C=CC=NC2=N1)N(CC3CCCO3)C4CCC4,<rdkit.Chem.rdchem.Mol object at 0x0000027640079BA0>,2.2219999999999995,0.8156962658797036,3.125895655129157,0.9525856742693604
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1],N#CC1=CC=CC(C(=O)N2CCCC2C3=NN=C4C=CC=CN34)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079C10>,2.5782800000000003,0.7278562381503938,2.7593820287555317,0.8798991619964371
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(OC)C(N2N=C(C)C=C2NC(=O)C(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079C80>,2.792420000000001,0.9221372038199869,2.0943256648790634,2.516360354220871
[C][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F][C][Branch1][C][C][C],COCC(NC(=O)C1=CC=CC(OC)=C1F)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640079CF0>,2.2351,0.8612004317476863,2.5603882135388982,1.7456139451995334
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],N#CC1=CC=CC(OCC(=O)NCC=2C=NN3C=CC=CC=23)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079D60>,1.9011799999999999,0.7805385621104906,2.2632660645926634,1.6394267459597893
[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][Ring2][Ring1][Branch1],CN1C2=CC=CC=C2C=3C=NN(C4=CC=CC(C)=C4)C(=O)C=31,<rdkit.Chem.rdchem.Mol object at 0x0000027640079DD0>,3.1858200000000014,0.5396882524727463,2.1072574231208225,0.591183839242909
[O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],O=C(NCC1=CC=C(Cl)C=C1)N2CCN(C3=NC=CC=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640079E40>,2.1618000000000004,0.9359512942680818,1.946302803972685,2.7334536673677237
[C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][C][=Ring1][O][C][S][Ring2][Ring1][Ring2],C1C=CN=C1NC(=O)C=2SC(N3CCCC3=O)=CC=2CS,<rdkit.Chem.rdchem.Mol object at 0x0000027640079EB0>,2.350400000000001,0.8396071545962139,3.5450097742783226,0.6530259987027467
[C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][C][N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][C][C][N][Ring1][O][C][=C][C][=C][Ring2][Ring1][Ring2][O],COC=C1C=CC(C(=O)CNC(S(C)(=O)=O)=C(C)NC=CC)=C1O,<rdkit.Chem.rdchem.Mol object at 0x0000027640079F20>,1.4141000000000004,0.5661554940495624,4.13037799629771,-1.2996005260498982
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1],CC1=NC(C)=C(CC(=O)NCC(C)OC2=CC=CC(F)=C2)C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x0000027640079F90>,1.6520399999999997,0.8418280610412633,2.935150560224061,1.2739897449822557
[O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1],O=S(=O)(NCCCC1CCCC1)C2=CC=C3C(=C2)CCO3,<rdkit.Chem.rdchem.Mol object at 0x000002764007B040>,2.8702000000000014,0.8221376560485262,2.1759084375822333,1.9347798426603973
[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][P],COC(=O)CCNC(=O)C1=NN(C2=CC=CC=C2C)C(C3=CC=CO3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B0B0>,2.1286199999999997,0.680913952953138,2.352170861605032,1.052398903160658
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S],NS(=O)(=O)CC1CCN(C(=O)NC2=CC=C(Cl)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B120>,1.8724000000000003,0.8851336478037575,2.087204097885751,2.338464141133036
[N][#C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][N][Ring2][Ring1][Ring1],N#CC1(NS(=O)(=O)C2=CC=CC(OC(F)(F)F)=C2)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B190>,1.0766799999999999,0.8656572862153615,3.4194785594833963,0.9088078715934111
[C][C][C][C][Branch1][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O],CCCC(C)(C(=O)N1CCOCC1)NS(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002764007B200>,-0.04679999999999812,0.7650291755925576,3.024087727680504,0.8010581502822838
[C][C][=C][N][=C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=N][N][=C][N][Ring1][Branch1][Ring1][#C][S][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1],CC1=CN=C1C2=NC(N3CCOCC3)=CC4=NN=CN42,<rdkit.Chem.rdchem.Mol object at 0x000002764007B270>,0.6674,0.8019095578374832,3.2075619492375917,0.8019858399498245
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][Branch2][C],CC1=CC=C(C(=O)NCC2=CC=CN=C2OC3=CC=CC=C3F)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B2E0>,3.6464200000000018,0.7717997363424864,2.0573954669458736,1.8016032147665584
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][#C],CC(C)C(=O)NC1=CC=CC(S(=O)(=O)NC2CCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B350>,2.5020000000000007,0.8771394709500457,1.9054303578327012,2.4802669969175275
[C][C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][C][=Ring2][Ring1][Ring1][C][=Branch1][C][=O][O][C],C=1CSC(NC(=O)CC2=CC=C(Cl)C(C)=C2)=C(C)C=1C(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x000002764007B3C0>,3.384820000000002,0.8447479773248763,2.8928958169298777,1.3308440696945034
[O][=C][Branch1][P][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(N1CCOCC1C=2C=CSC=2C3)CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002764007B430>,3.003800000000002,0.7356955911947385,4.205795146779227,-0.527317190805535
[C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][#C][O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][S],CN1N=NN=C1C2=CC=C(OCC3=CC(Cl)=CC=C3Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007B4A0>,3.762900000000002,0.7283893665450859,2.0564464341098336,1.5855003986155958
[C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C(S(=O)(=O)N(C)CC(=O)N(C)C2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B510>,2.2785200000000003,0.8438912731491868,1.9236584542925144,2.2957979114534197
[C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2],CNC(=O)N(C)C1=CC(NC(=O)NC(C)C(C)C2=CC=CC=C2)=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B580>,3.7759000000000027,0.7644512783813177,2.997697380613964,0.8245590112926244
[C][C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][O][C][C][=C][S][C][=N][Ring1][Branch1],CCOC1=CC(C#N)=CC(Cl)=C1OCC2=CSC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002764007B5F0>,3.645880000000002,0.8444769373563332,2.4458797127552856,1.7765049740263805
[C][C][Branch1][P][N][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC(NCC(O)C1=CC=CC=C1OC2)=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007B660>,3.2847000000000017,0.7706209454519164,4.171548657877928,-0.31844393061834575
[C][C][N][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],CCN(C(C)C(=O)N1C=NC2=CC=CC=C21)C(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764007B6D0>,3.322000000000002,0.8708219697486327,3.0491899902951776,1.3049198584479855
[C][C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],CC(CCCC1=CC=CC=C1)N(C)CC2=CN(C)N=C2C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002764007B740>,4.282100000000004,0.7505567439017258,2.900526784000286,0.8522569355083425
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][=N][C][=C][C][Ring1][Branch1][=C][Branch1][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][Branch1][C],CC(=O)C1=C(C)[NH1]C(C(=O)N2C=CC(C3=NC=CC3)=C(C)C=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764007B7B0>,3.9922400000000025,0.8487828386749454,3.686066620792027,0.5578475725827001
[C][O][C][C][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][N][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],COCCNC(C(=O)NCCCNC(C)=O)C1=CC=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002764007B820>,0.745200000000001,0.5546418943438783,2.6755690458162693,0.09764042590312227
[C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][#N][C][C][C][Ring1][Ring1],CC(NS(C)(=O)=O)C(=O)N(CC1=CC(Cl)=CC=C1C#N)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764007B890>,1.6403800000000006,0.8394261248252873,2.9880080393534705,1.2091225847729659
[C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],COCCNC(=O)C(C)NC(=O)C1=CN=CC2=CC=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002764007B900>,1.1157,0.7834722387935674,2.4826839963443295,1.4346771976235075
[C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1],COC1=CC(NC(=O)CCC=2C(C)=NN(C)C=2C)=CC(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007B970>,2.625440000000001,0.8892627808875979,2.0495353773694376,2.3967785270685518
[C][C][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2],CC(SC1=NN=CN1C)C(=O)C2=CC=C3C(=C2)NC(=O)CO3,<rdkit.Chem.rdchem.Mol object at 0x000002764007B9E0>,1.5094999999999996,0.6791267261487075,2.986954219669391,0.4086794110741465
[C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][#C],CC(CO)NC(=O)NCC1=CC=C(OCC2=CC=CC=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007BA50>,2.7540200000000015,0.7317731257311785,2.31292501518087,1.3459406134750225
[O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][#Branch1],O=CC=C(C1=CC=CC=C1)N=C(NCCC2=CC=NC=C2)C[NH1],<rdkit.Chem.rdchem.Mol object at 0x000002764007BAC0>,2.1351,0.3682535493181975,3.090852746567405,-1.2495849999764177
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Branch1],C1C(=O)C=CC=CC1NC(=O)C(C2=CC=CC=C2)N3C=NN=N3,<rdkit.Chem.rdchem.Mol object at 0x000002764007BB30>,0.8324999999999998,0.9033411152328493,3.626021556202206,0.8906840199620412
[C][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][C][=Branch1][Branch1][=C][Ring1][=C][C][C][C][O][Ring1][=Branch1],C1NC(C2=CC=C(OC)C=C2)=CC(=C1C)CCO,<rdkit.Chem.rdchem.Mol object at 0x000002764007BBA0>,2.338200000000001,0.8551869589166684,2.814008186172911,1.4619266084104305
[C][C][C][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][=N][Ring1][P][C][Ring2][Ring1][=Branch1],CC1CCCC2N(C(=O)C3=NN(C(C)(C)C)C(C)=C(C)C=C32)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007BC10>,3.707600000000003,0.6830087345765089,4.203996249732076,-0.7889525768495314
[C][C][=N][N][=C][Branch1][#C][S][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][N][=C][Ring1][S][N],CC1=NN=C(SCC2=CC=C(Br)C=C2N)N=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002764007BC80>,2.39922,0.664751284243455,2.6278320413765304,0.6959243798407444
[O][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F],O=C(COC(=O)C1=C[NH1]C2=CC=CC=C12)NC3=CC=C(Cl)C=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002764007BCF0>,3.7559000000000022,0.7065597368944787,1.9239368763882077,1.6088618080841859
[C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(C(=O)C1=CC=CC=C1Cl)CCCN(C)C(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007BD60>,3.5743000000000027,0.8033315681142351,1.8825937683987437,2.134064072172432
[C][C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][C][O][N][=Ring2][Ring1][Ring1],C=1CC=C(NC(=O)C2=CC=CC=C2SC(C)CO)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002764007BDD0>,2.2052,0.810505080453617,3.5750930400849015,0.4774323621831833
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2],CC1=NN(C)C(C)=C1CC(=O)NC2=CC=C(C(N)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007BE40>,1.3170399999999995,0.8877323529545024,1.914495442294518,2.5241663224779938
[C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][Branch2][C][=Branch1][C][=O][C][Ring1][=Branch2][C][Ring1][=Branch2],COCC(C)NC(=O)C1CCC(C)(C(=O)C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007BEB0>,1.5328999999999997,0.7939070096269122,3.577663492910042,0.3918715552245189
[C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][S][Ring1][=Branch1][C][=C][Ring1][#C],CCOC1=CC=C(NC(=O)C2=CC(N)=CS2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007BF20>,1.6392,0.6777908990212342,4.896156035372811,-1.5072015402666397
[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1],CC1=C(Cl)C=CC=C1NC(=O)NCC(C)(O)C2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002764007BF90>,3.270620000000001,0.8112087539554276,2.9264132696008662,1.1296305001762716
[C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1],CC(CNC(=O)CSC1=NN=C2C=CC=CN12)N3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640089040>,0.6583000000000001,0.7821023518701347,2.813342958703755,1.0971688006469185
[C][C][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O],CCCC1CN2CCCC2C(=O)N1C3=CC=C(N4C=CC=N4)C=C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400890B0>,2.852000000000001,0.8682504979553003,3.2378949808546054,1.1033575089218957
[C][C][Branch1][C][C][C][N][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N],CC(C)CNC1=CC=C(S(=O)(=O)NC(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640089120>,2.4412000000000003,0.8344626387970561,1.8979269644534522,2.274386229531828
[C][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F],CCCCCNC(=O)NC1=CC=CC=C1OC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x0000027640089190>,3.8969000000000023,0.7806780935102874,1.890782648538293,2.012607819013144
[C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CN(CC1=CC=NC=C1)C(=O)NCCSC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089200>,3.1544000000000016,0.6569820470990189,2.1177475330109328,1.1671627024841618
[C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CC(C(=O)NCCC(N)=O)C1=CC=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x0000027640089270>,0.9208000000000005,0.8002628302039297,2.464014134365266,1.5373000166543829
[C][C][C][Branch1][Ring1][C][C][C][=C][Branch1][Ring1][C][#N][N][=N][N][Ring1][#Branch1][C][C][O][C][C][O][C][Branch1][C][C][C],CCC(CC)C1=C(C#N)N=NN1CCOCCOC(C)C,<rdkit.Chem.rdchem.Mol object at 0x00000276400892E0>,2.494980000000001,0.6198399881021937,3.043168819371161,0.05603112113980746
[O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1],O=C(NCC1CC1)C2=NC=C(S23)C[NH1]C(C)=C3C4CCCCC4,<rdkit.Chem.rdchem.Mol object at 0x0000027640089350>,3.1823000000000015,0.6922091077014398,4.336700186550535,-0.8756546480433354
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][=N][C][=C][NH1][Ring1][Branch1],CC1=NN(C)C(C)=C1CC(=O)N2CCOCC2CC3=NC=C[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x00000276400893C0>,0.7726399999999989,0.9036714457746111,3.2478208320588724,1.2705363968141832
[C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CCCOC(=O)C1=CC=CC=C1NC(=O)NC=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089430>,2.6309000000000005,0.8314015412230374,2.0233655408095856,2.1336421653056012
[C][N][C][=Branch1][C][=O][C][C][=N][C][Branch2][Ring1][Ring1][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][=Ring1][=Branch2][C][#N][C][=N][O][Ring1][P],CNC(=O)CC1=NC(C=2SC(C(C)(C)C)=NC=2C)=NC=NO1,<rdkit.Chem.rdchem.Mol object at 0x00000276400894A0>,2.00372,0.9232328828961573,3.8116779725713714,0.8044864419094155
[O][=C][C][C][=C][Branch2][Ring1][#Branch1][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][C][C][C][Ring2][Ring1][Ring2],O=C1C=2C3=C(SC=2N=CN1CCOC4=CC=CC=C4)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640089510>,3.4158000000000026,0.7377768238484144,2.124625067091481,1.5642590521505912
[C][C][C][=C][Branch1][C][C][N][C][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Ring1][=C][=O],CCC=C(C)NC1CNC2=CC=CC(C(F)(F)F)=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640089580>,3.585600000000002,0.8958092861405503,3.6616738168576006,0.8173726138451514
[C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][=N],C=CCNS(=O)(=O)C1=CC=C(OC)C(N2C=NN=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400895F0>,0.13519999999999976,0.7607762909966165,2.446194092094734,1.3576873628883486
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1],CC1=CC=CC(C)=C1NC(=O)C(C)SC2=NC(C)=CS2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089660>,4.187660000000004,0.8613147146631053,2.5510943907863215,1.7554791825292053
[C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C],CCC=1N=NSC=1C(=O)N2CCC(OCC3=CC=CC=C3F)CC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400896D0>,3.0610000000000017,0.8324279142761505,2.3967398274013885,1.7653997439793638
[C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N],CCCCNC(=O)CC1=CC=C(N2CCCC2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640089740>,2.2722000000000007,0.8090096175217049,1.8401765241363766,2.204871563472148
[O][=C][Branch2][Ring1][Ring2][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O],O=C(OCC1=CC=C2C(=C1)OCCO2)CC=C[NH1]C=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400897B0>,1.1507999999999996,0.6234430569084165,2.832744177354302,0.2844711071877808
[C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][Ring1][S],CCCN1C(=O)C(C)(C)OC2=CC=C(C(C)=O)C=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640089820>,2.8032000000000012,0.785938977085593,2.2686570883208983,1.661037797107067
[C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],CC(NC(=O)C1=CSN=N1)C2=CC=CC=C2Br,<rdkit.Chem.rdchem.Mol object at 0x0000027640089890>,2.7916000000000007,0.9479731863874434,2.738808114298376,2.0010578176388414
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O],COC1=CC=CC=C1OC(C)C2NCCC3=CC(F)=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x0000027640089900>,3.4886000000000017,0.9374815794660886,3.0651022373480483,1.6223056599823948
[C][C][C][C][Branch1][C][C][N][N][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][C][C][Ring1][Ring1],CCCC(C)N1N=CC(C(=O)NCC2=CC=CC=C2)=C1C3CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640089970>,4.051600000000003,0.8381887711540407,2.7062700628281036,1.4846737929420994
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CC1=NN(C)C(C)=C1CC(=O)OCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x00000276400899E0>,1.7178399999999998,0.7844054132751225,2.1383444442502064,1.783682622125406
[C][C][=C][C][Branch2][Ring1][C][N][C][Branch1][C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][N][S][Branch1][C][C][=Branch1][C][=O][=O],CC1=CC(NC(C)C(O)C2=CC=CC=C2)=CC=C1NS(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640089A50>,2.90052,0.7588666614933774,2.8033054663219374,0.99102784114495
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring2],CCOC1=C2C=C(C=C1CNC(=O)C3=CC=C(C)C(OC)=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089AC0>,3.430920000000002,0.884965329562973,3.070305672515886,1.3545209752989793
[O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][S],O=C(NC1CC12)NCCN3N=C(C4=CC=CC=N4)N=C3C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089B30>,0.5838999999999994,0.8021364841366038,4.369497709052697,-0.35881528836967824
[C][O][C][=C][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][Ring1][S][=C][C][=N][Ring2][Ring1][#Branch1],C1OC2=CC1(CNC(=O)C3=CC(OC)=C(OC)C(OC)=C3C)CC=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089BA0>,2.08312,0.8531900533042714,4.557278242202347,-0.2913279756809901
[C][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][=Branch1],CCC1=C(C(=O)OC(C)C)C(C2=CC=CC(Cl)=C2)N3N=CN=C3N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640089C10>,3.562100000000002,0.8570634848345027,3.339506942647609,0.9458104815249042
[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][P][O][C],COC1=CC=C(C(=O)NC2=CC=C(Cl)C=N2)C(F)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640089C80>,3.143600000000001,0.9421401490991912,2.0680773074348213,2.6426234380611344
[C][C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1],CCC1=CN=C(N2CCC(NC(=O)C(C)NC(C)=O)CC2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640089CF0>,0.6486000000000003,0.8318761932012857,2.7262805842778075,1.4331003817286208
[O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][S],O=C(CCC1=CC=CC=C1)N2CCC(COC3=CC=C(F)C=C3F)CC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089D60>,4.215000000000004,0.7730301426388264,1.9366381048482744,1.9285126083458577
[C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][N],CCC1CCCCN1C2=NC=NC(N3CCOCC3)=C2N,<rdkit.Chem.rdchem.Mol object at 0x0000027640089DD0>,1.6643,0.9133700457883811,2.8956231100148315,1.6712271189270744
[C][O][C][=C][C][Branch1][=N][C][Branch1][C][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][N][O][C][C][C][C][O],COC1=CC(C(N)C(C)(C)C)=CC=C1OCCCCO,<rdkit.Chem.rdchem.Mol object at 0x0000027640089E40>,2.8924000000000016,0.7542655201700019,2.608123994515923,1.1632036063340867
[C][C][C][C][N][Branch2][Ring1][Branch1][C][=C][Branch1][Ring1][C][#N][C][=N][C][=N][N][=N][N][Ring1][Branch1][N][Ring1][=N][C][C][C][Ring2][Ring1][Ring2],C1CCCN(C=C(C#N)C=NC2=NN=NN2NCC)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640089EB0>,0.8321799999999999,0.6309809600175638,3.940188209184541,-0.785283409096722
[C][#C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O],C#CCN(CC1=CC=CC(C)=N1)C(=O)NCC2(C3=CC=CC=C3)CCCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640089F20>,4.046820000000003,0.7892131970995193,2.6954247784060676,1.2506412070915287
[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2],CC(C)(C)N1C=C(NC(=O)CCNC(=O)CC2=CC=CC=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640089F90>,2.3255999999999997,0.8542918509100226,2.1441868797649892,2.1272723747851234
[O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F],O=S(=O)(NCC1=CC=CC(Cl)=C1)C2=CC(F)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640081040>,3.096700000000002,0.9415763431341553,1.8564618093774499,2.8514199062933265
[C][N][Branch1][C][C][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],CN(C)C1=NC2=NON=C2N=C1N3CCC4=CC=CC=C4C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400810B0>,1.6414999999999997,0.7115577642604495,2.774962059109834,0.7828267621924136
[C][#C][C][C][N][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][C][Ring1][P],C#CCCN1C(C(=O)N(C)CC2=CC=CS2)CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081120>,2.974400000000001,0.7808866569461809,2.986700537505376,0.9177327472255281
[C][=C][N][=C][Branch2][Ring1][O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][O][Ring1][=C][N][=C][Ring2][Ring1][#Branch1],C1=CN=C(N2CCC3(CC2)CC(NC4=NC=CC=N4)CO3)N=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081190>,1.5065999999999997,0.9201932254478751,3.663993406451347,0.9369727207880283
[C][C][Branch1][C][C][Branch1][C][C][C][=N][N][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][S][F],CC(C)(C)C1=NN(C2=CC=CC=C2C(F)(F)F)C(F)=C1F,<rdkit.Chem.rdchem.Mol object at 0x0000027640081200>,4.466800000000003,0.7109226621553388,2.7052883756769255,0.8493249350997685
[C][O][C][=C][C][=C][C][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][O][=C][Ring1][P],COC1=CC=CC(C2OC(C)(C)C)=CC(=O)[NH1]C2=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081270>,2.2103,0.8287220902841897,4.917741207369326,-0.7741307559483772
[C][O][C][=Branch1][C][=O][N][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][Ring1][=Branch2][=O],COC(=O)NCCOC(=O)C1=C(C)C(C)=NN(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400812E0>,-0.0900599999999998,0.6121013730798602,2.3922664485119025,0.6682404168873988
[C][#C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring1][=C],C#CCOC(=O)C1=CSC(C2=CC3=CC=CC=C3[NH1]2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081350>,3.0814000000000004,0.5930327598217348,2.5858600924736663,0.37930370663500756
[C][C][=N][S][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1],C1C=NSC1NC(=O)N(C)CC2=CC=C3C(=C2)CCCC3=N,<rdkit.Chem.rdchem.Mol object at 0x00000276400813C0>,2.980970000000001,0.8417948029065335,3.955991263270951,0.2529827512617171
[C][N][N][=C][C][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1],CN1N=CC2=C(N3CCN(C(=O)CO)CC3)N=CN=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640081430>,-0.9957999999999994,0.7571282954522801,2.362130370290222,1.4235111069711786
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O],CCOC(=O)C(C)NC(=O)CC1=CSC(C2=CC=CC=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400814A0>,1.8153999999999997,0.821388349345194,2.64000756954532,1.46693417718065
[C][N][N][=C][C][Branch1][=N][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][P][C][Ring2][Ring1][=Branch1][=O],C1NN=CC(NC2CC3CCC2C3)=C(C(C)C)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640081510>,2.3890000000000002,0.8377733911832204,5.721716878186701,-1.5328499222705991
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][S][Ring2][Ring1][C],CC1=NC(C)=C(C(=O)N2CCCC(C(C)(C)C)C2)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081580>,3.658240000000003,0.7863036126626494,2.7903728289235143,1.1411452343897324
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C],CC1=CC(C)=C(S(=O)(=O)NCC2=CC=C3C(=C2)CCC3)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x00000276400815F0>,3.579060000000003,0.9317453116735317,2.0879767922046035,2.570749766163055
[C][O][C][=C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][Ring1][P][=O],COC1=COC(C(=O)NC2=CC=C(C#N)C=C2)=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640081660>,1.77238,0.9170774093428035,2.1726781580288,2.4127088886852173
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C],CCC(=O)NC1=CC=C(NCC2=CC=CC=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400816D0>,3.042200000000001,0.8630284461742596,1.717475516951092,2.597666713920206
[C][C][=C][C][=C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring1][#C][Ring1][=Branch1][N][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1],CC=C1C=CNC2=C(CNC3=NC(C4=CC=NC=C4)=C5C=CC=CN35)N=C12,<rdkit.Chem.rdchem.Mol object at 0x0000027640081740>,3.537600000000001,0.7520537290747908,3.5497540387610975,0.2105146066128567
[C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=Ring2][Ring1][Ring2],CC=1N=C(C)N(CCNS(=O)(=O)C2=C(F)C=CC=C2F)N=1,<rdkit.Chem.rdchem.Mol object at 0x00000276400817B0>,1.15164,0.8975804644814742,2.4531083977601043,2.034793924647267
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][N][=C][O][Ring1][Branch1][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring2][C],CC(=O)NC1=CC(C(=O)NC2=CC=CC(C3=NN=CO3)=C2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640081820>,3.255720000000002,0.7619993722778948,2.0871303261008034,1.722866535288671
[C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(=O)NC(C1=CC=CC(Br)=C1)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640081890>,3.069600000000001,0.9466751834182673,2.4892678181782415,2.2441080989130953
[O][=C][Branch1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][Branch2][C][Ring1][O],O=C(COC(=O)C1=CC=CS1)N2CC3C4CCC(CC4)C3C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640081900>,2.799500000000001,0.8049492819551338,3.8959947164104385,0.1287516933652304
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][S][C][=N][N][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring1][P],CN(C)C(=O)C1=CC=C(CS2C=NN=C3C=CC(N)=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081970>,2.0276,0.8380678662584359,4.321873078230184,-0.1315337469380049
[C][C][C][C][=C][C][=C][N][Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],CCC1C2=CC=CN2CCN1C(=O)C3=CN(C)C4=NC=CC=C34,<rdkit.Chem.rdchem.Mol object at 0x00000276400819E0>,2.9819000000000013,0.7302409913191276,3.0817750117253606,0.5694299448702771
[C][O][C][=C][C][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=N][Ring1][S],COC1=CC=C(CNC2=CC=CC=C2)C(OC)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081A50>,2.7109000000000005,0.8778449399783874,1.8994677928558197,2.489756907036117
[C][C][S][C][=C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][Ring1][=Branch1][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2],CCSC1=CC(C(=O)OCC2CCCCO2)=C3C=NN(C)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081AC0>,2.8062000000000014,0.6182121990045398,3.0762701166204653,0.014790878402233698
[C][O][C][=Branch1][C][=O][C][N][=C][S][C][=Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],COC(=O)C=1N=CSC=1C2=CC=CC(C(F)(F)F)=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640081B30>,3.6155000000000017,0.7919339778049418,2.325382671335168,1.6342872176895407
[O][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][NH1][Ring1][=N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],O=C(C=CC(N1CCCC(C)C1)=N[NH1])C2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x0000027640081BA0>,2.5250000000000004,0.28085460704303655,3.446378015377606,-2.0421049801624234
[C][=C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][=C][Ring2][Ring1][Ring1],C=C(C)COC1=CC=CC(C(=O)N(C)C2=NC=NC=3[NH1]C=NC2=3)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081C10>,2.5844000000000005,0.729606848892689,2.7623377813655843,0.8856964630978608
[C][C][=N][C][=C][C][=Branch1][C][=O][NH1][N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1],CC1=NC2=CC(=O)[NH1]N2C(C)=C1CC(=O)NCCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x0000027640081C80>,1.1338399999999997,0.7382650094286975,2.62977858954188,1.0615464576016076
[C][C][N][N][=N][C][=C][Branch2][Ring1][=Branch1][N][C][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1],CCN1N=NC2=C(NCC(O)C3=CC=C4C(=C3)CCO4)N=CN=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640081CF0>,1.3216,0.7294348929560901,3.085156314469817,0.5620181503106334
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Ring1],CC1=CC=C(C(=O)NC2=CN=C3SC=CN3C2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081D60>,2.31672,0.7855968517755811,2.150964378387389,1.7770198804905166
[C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][P],CCC1=NN=C(NC(=O)CCC(=O)C2=CC=CS2)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081DD0>,2.763600000000001,0.8317362558916643,2.2413950973706704,1.9172861820876514
[C][C][=C][N][=C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1],CC1=CN=C(C(=O)OCC(=O)NC2=CC=C3C(=C2)CCC3)C=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081E40>,2.0692199999999996,0.8742251327284835,2.1371740387080997,2.233951624934318
[C][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=C][Ring1][O],COCCCNS(=O)(=O)C1=CC=C2[NH1]C(=O)C=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081EB0>,0.8428999999999996,0.7732844189674627,2.106078158028801,1.7603439368085128
[C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][C][C][=N][N][Ring2][Ring1][Ring2][C],CCC1=C(C(=O)NC2=CC=CN=C2N3C=CN=C3C)C=NN1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640081F20>,2.12392,0.8004780768563724,2.540193974157267,1.4621964101245943
[N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Ring1][#C],NC(=O)C1CC(=O)N(CC2=CC=C(Cl)C=C2Cl)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640081F90>,1.8272,0.9213786373950038,2.528223991416768,2.078669195558251
[O][=C][Branch1][N][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][N][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O],O=C(CCN1C=CC=CC1=O)NCC=2C=C(C3=CC=CC=C3)ON=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640062040>,2.2097999999999995,0.7543158691575623,2.1523211556383703,1.6192581901494414
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2],COC(=O)C(C)NC(=O)C1=CC=C(Br)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400620B0>,2.0488199999999996,0.8692611781271573,2.2804527296829917,2.065853160952795
[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C],CCOC(=O)C1CC2=CC=CC=C2C3=CC=CC=C3C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062120>,3.6315000000000026,0.775811772093443,1.931669906797275,1.94738895366994
[O][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],O=C(CNC(=O)NC1=CC=CC2=C1CCCC2)NC3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640062190>,3.1358000000000015,0.7940474295486626,2.1040396171768307,1.866197530566482
[C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C],CC(=O)N1CCCN(C(=O)C=C2C(OC)=CC(Cl)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062200>,1.6602,0.7289252333795445,2.7618889785223555,0.882737188375367
[C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1],CC1=CC(C(=O)N2CCCCCC2)=C3C=NN(C)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062270>,2.2929200000000005,0.8000469829802082,2.113684216444069,1.886550698456972
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][C],CNS(=O)(=O)C1=CC(C(=O)NC2=CC=CC(C)=N2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x00000276400622E0>,1.8588399999999998,0.900089811180112,2.0118348956482954,2.488614160252265
[C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][S][Ring2][Ring1][C],CC1=NC=C(CNC(=O)CC2=C(F)C=CC=C2F)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062350>,2.5886200000000006,0.9362226997996284,2.212434429736419,2.4686790692617233
[C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][S][C][=N][N][=C][NH1][Ring1][Branch1][C][=C][Ring1][=N][=N][O][Ring2][Ring1][Branch1],CC1=CC(NC(=O)C2=CC=C(CSC3=NN=C[NH1]3)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x00000276400623C0>,2.64572,0.7025716526603134,2.606119030263679,0.9067392330378876
[C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][=Branch2],CCCCNC(=O)C1=CC=CC=C1N2CCC(CO)C(O)C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640062430>,1.396,0.6946720023119812,2.8529158140938833,0.6204441974660231
[F][C][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][C][=C][C][=N][N][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring2][Ring1][Branch1][Ring1][P],FC=C(O)C=CC1=CC(COC(=O)C=2C=CC3=NN=CN3C=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400624A0>,2.677600000000001,0.5215512253648997,3.5418737374708744,-0.9341176106463758
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C],CC1=CC=CC=C1C(C(=O)OC(C)(C)C)N2CCOCC2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640062510>,3.0985200000000015,0.8044670258017371,3.162848940644751,0.8594861883639346
[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C],CC1=CC=C(NC(=O)CCNS(=O)(=O)C2=CC=CC=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640062580>,2.610540000000001,0.8536459259165681,1.7078847248969105,2.5603449046859303
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring2][Ring1][Branch1],C1C(=O)NC=CC=C(O)C1C(=O)NC2=CC(Cl)=CC=C2C(=O)NC=C,<rdkit.Chem.rdchem.Mol object at 0x00000276400625F0>,2.2435,0.6592223012337023,3.5845937719789456,-0.28848226581043424
[N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][O][C][Branch1][S][C][C][=C][Branch1][Ring2][C][C][O][C][=N][C][=Ring1][#Branch1][C][=N][Ring1][=C][N][=C][Ring2][Ring1][Branch1],N#CC1=CC=C(C=NOC(CC=C(CCO)C=NCC=N)N)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062660>,1.47295,0.3201720036744271,5.205164264011535,-3.6043042456393994
[N][C][=N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][=N][NH1][Ring2][Ring1][C],NC1=NC(SCC(=O)NC2=NN=C(C(F)F)S2)=N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x00000276400626D0>,0.9068,0.7013970432463011,2.7976538782124702,0.7093313380190356
[C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][C][=C][S][Ring1][Branch1],CN1C=CN=C1C(NC(=O)C2CCC2)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x0000027640062740>,2.4873000000000003,0.9315495020288076,2.7724417580336187,1.885305752110419
[C][C][=C][C][=C][Branch1][C][N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2],C1C=CC=C(N)C1NC(=O)C=2C=C(C)N(C(C)C)C=2C=C,<rdkit.Chem.rdchem.Mol object at 0x00000276400627B0>,2.9213200000000015,0.8932543133926331,3.8266228047118513,0.6396487622513138
[O][=C][Branch1][S][C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2],O=C(CN1SC2=CC=CC=C2C1=O)NC3=CC=C(F)C(Cl)=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640062820>,3.494200000000002,0.7955873716714241,2.238016657434896,1.7399202009222248
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][NH1][Ring1][Branch2][O][N][=Ring1][P],CCOC(=O)C=1C=C(CN(C)CC2=CC(C(C)C)=N[NH1]2)ON=1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062890>,2.3297999999999996,0.7903272823317421,2.7731715286873886,1.1784648829713218
[C][C][=N][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1],CC1=NC(OCC(=O)NC2=NC=CS2)=CC(N3CCOCC3)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062900>,1.09562,0.8747291206040158,2.4424166960507563,1.9312289069693227
[C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=N][N][=C][N][Ring1][Branch1][C],CC(NC(=O)C1=CC=NN1C)C2=NN=CN2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640062970>,0.039599999999999635,0.8129751996158099,2.987632827882665,1.0772431701963843
[F][C][Branch1][C][F][C][N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][=O],FC(F)CNC1=C(NCC2=CC=CC=C2)C3=CC=CC=C3C1=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400629E0>,3.1960000000000015,0.8601748699764067,2.4358020107360723,1.8650723391459607
[C][C][C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][N][=O],CCCC(OCC(=O)NC1=CC=C(Cl)C=C1C)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640062A50>,2.25752,0.8098622430640133,2.63743425092618,1.4118769643938869
[C][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][S][Ring1][#C][=Branch1][C][=O][=O],CCC1C(=O)N(CC2=CC=C(F)C=C2)CCS1(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640062AC0>,1.3613000000000002,0.8423828151013274,3.1147641446213914,1.0971499308852453
[C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][=Branch1][C][=O][O][C],CCCC(C)(NC(=O)CNC(=O)C=1C=COC=1C)C(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640062B30>,1.1658199999999994,0.7366604538442083,2.873571669305594,0.8097305999154472
[N][#C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1],N#CC1=CC=C(C(F)(F)F)C=C1NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x0000027640062BA0>,3.782180000000001,0.91915351611468,2.2227720204475947,2.372995560125805
[O][=C][Branch1][P][C][C][C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(CCC(O)CC1=CC=CC=C1F)NC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640062C10>,3.2871000000000015,0.8601662742244875,2.3061187357984227,1.9947126353240154
[O][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][#Branch2][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C1C2=CN=CC=C2N=CN1CC3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640062C80>,2.4932000000000007,0.7194141420667846,1.9754822302378034,1.6215884800961193
[O][=C][Branch2][Ring2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2],O=CCNCC1=CC=CC=C1N2C3CCC4(C2)CCCC4C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640062CF0>,3.134100000000002,0.6693700177890676,5.023266259911702,-1.6764161709663643
[C][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=N][NH1][N][=Ring1][Branch1],CC(C1=CC(F)=CC=C1F)N(C)C(=O)C=2C=N[NH1]N=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640062D60>,1.9160999999999992,0.9227283050426905,3.0339079316036397,1.579733593609813
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(C(C)NC(=O)NC2=CC(C)=CC=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062DD0>,4.325240000000003,0.8662131817102453,2.155891518937734,2.1751743896134927
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring2],CC1=CC=C(C)C(C(=O)N2CC(C)SC3=CC=CC=C32)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640062E40>,4.444440000000004,0.7750832787419594,2.628997278052962,1.2464191156568347
[C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Cl],COC=1C=C(C)SC=1C(=O)NCC2=CC(C#N)=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640062EB0>,3.5202000000000018,0.9371483228124058,2.322567227859226,2.363174386202803
[C][O][C][=C][C][=C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][#C][F],COC1=CC=C(N(C)C(=O)C=2C=CON=2)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x0000027640062F20>,2.0989,0.836620535479723,2.401090195222686,1.7820124821759293
[C][C][Branch1][C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1],CC(C)(CS(=O)(=O)NC1=NC=CS1)C2=NN=C3N2CCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640062F90>,1.4002999999999999,0.8963262734626505,3.0503294092196533,1.4313019580935986
[C][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][N][N][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][C][N][=C][Ring2][Ring1][=Branch2],C1C=CC=C1NC(=O)CNN=CC=C(C2=CC=C(F)C=C2)N=CCN=C,<rdkit.Chem.rdchem.Mol object at 0x000002764008A040>,2.4734000000000007,0.5283768331230878,3.9552411817713544,-1.3133570161559156
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][Ring1][N],CC(C)CC(=O)N1CCCN(CC2=CSC=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A0B0>,2.181,0.8387328027337354,2.6217828468063935,1.5718811668622834
[N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],NC(=O)C1CCCN1C(=O)CC2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008A120>,0.9836,0.8879411080962014,2.4441097067515685,1.995595833729439
[O][=C][Branch1][=N][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O],O=C(OCCOC1=CC=CC=C1)C2=CC=CC(N3C=CC=C3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008A190>,3.7131000000000025,0.5146576439082744,1.8873936191276783,0.6858946004136937
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2],COC1=CC(OC)=CC(C(=O)NC2=CC=CC(C(N)=O)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A200>,2.0549999999999997,0.8838845968058708,1.7115278969093293,2.7078950871200247
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C][C],COC1=CC(C)=C(S(=O)(=O)NCC2=CC=CC=N2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008A270>,2.1855399999999996,0.9191249730190599,2.044266697355246,2.5513581677400534
[C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Ring1][=Branch2][=C][Ring1][=N],CCOCC(=O)NC1=CC=C2[NH1]C(NC(C)=O)=NC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A2E0>,1.4962999999999995,0.7706073993096437,2.1759542569299004,1.677082739618318
[O][=C][Branch1][S][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],O=C(COC(=O)C1=CC=CC=C1O)NCC2=CC=CC(C(F)(F)F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008A350>,2.8842000000000008,0.810790884174786,1.9005268214609217,2.153427599413008
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1],C1C(=O)NC=CC=C(F)C1C(=O)N(C)CC2=CC=CC(F)=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002764008A3C0>,2.595720000000001,0.9305046756180929,3.47817690982726,1.174346468263204
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][Branch1],CCOC1=CC=C(NC(=O)C=2C=NN(C3=CC=CC=C3)C=2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A430>,3.8317200000000025,0.7767490284115095,1.872444175227475,2.0113009668300723
[C][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][O][=N][C][Branch1][C][C][=N][Ring2][Ring1][Branch1],CCC1=CC(NC(=O)C2=CC=CC(OCC(C)C)=C2)=NC(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A4A0>,3.634520000000003,0.8841301362554671,2.127196022973834,2.293454658303501
[C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][Cl],CNC(=O)C1=CC(NS(=O)(=O)C2=CC=C(F)C=C2)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764008A510>,2.639500000000001,0.8965142181997818,1.796164895648296,2.686406195350613
[C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],COC(=O)NC(C(=O)NCC(C)C(=O)NC1CCCC1)C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002764008A580>,2.1023999999999985,0.641906878333336,3.1033432183378817,0.10619117332879835
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][S][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C],CC(=O)C1=CC=CC(NC(=O)C2=CC=C3C=NSC3=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008A5F0>,4.0596200000000024,0.7421390895418826,2.321372736839363,1.3893227108700499
[C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],CCN(C(=O)CC1=C[NH1]C2=CC=CC=C12)C3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002764008A660>,3.158500000000002,0.7971802273417511,2.1445888915544913,1.8413122451542643
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],CCOC(=O)C(C)NC=C1C=CC2=CC=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008A6D0>,2.3212,0.6742257882233523,2.933484250926181,0.4376446901905804
[C][#C][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C],C#CCNC(=O)N1CCOC(C2=CC=C(F)C(F)=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A740>,1.6808999999999998,0.8374814280158409,2.9802743608162903,1.2071327792629143
[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=N],CNC(=O)CNC(=O)C1CCCN(C(=O)C2=CC=CS2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A7B0>,0.4624999999999997,0.8480880094016802,2.532527134637057,1.7079129123713441
[C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Cl],CC1=CC=CC(C(C)C)=C1NC(=O)C2=CC(N)=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764008A820>,4.606320000000003,0.8136902888707332,1.9042784382459352,2.164173006107731
[C][=C][C][C][Branch1][Ring2][C][C][=C][C][=N][N][Branch1][P][C][Branch1][C][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][S][C][Ring2][Ring1][=Branch1][=O],C=CC1C(CC=C)C2=NN(C(C)C(C)C3=CC=NC=C3)C(=O)C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008A890>,2.965200000000001,0.5920837565767217,4.9075609942329255,-1.9471422113493166
[O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl],O=S(=O)(NCC1=CC=CN=C1)C2=CC=C(F)C=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764008A900>,2.3526000000000007,0.9427092247388117,1.9492216576028927,2.764324466091166
[C][C][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][=N][N][Ring1][=N][Ring1][#Branch2],CCCC=NN=CS1C(CCOC(C)C)=NN1,<rdkit.Chem.rdchem.Mol object at 0x000002764008A970>,2.4486,0.30395839030425686,5.001295614298376,-3.481503662777092
[O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2],O=C(NC1=NC=CS1)C2=CC3=CC(Cl)=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x000002764008A9E0>,3.7950000000000017,0.7756707806469708,2.1400101005481282,1.738343802686726
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][O][=C][Ring2][Ring1][Branch1],COC=C1C=CC(CNC(=O)C2=NC3=CC=CC=C3C(C)=C2)OC1,<rdkit.Chem.rdchem.Mol object at 0x000002764008AA50>,2.758320000000001,0.8786725816516984,3.5333539351100463,0.8600089731484459
[C][C][Branch1][C][C][S][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],CC(C)S(=O)C1=NC=CN1C2=CC=CC(C(F)(F)F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008AAC0>,3.4071000000000025,0.8706443971278996,3.212298353490283,1.1409236321492155
[C][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1],CC1=CC=C(C2=NC=CO2)C=C1NC(=O)NC=3C=C(C)N(C)N=3,<rdkit.Chem.rdchem.Mol object at 0x000002764008AB30>,3.335940000000001,0.7766155866202497,2.4850372877667315,1.3980406453345169
[N][#C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][=C][Ring2][Ring1][Ring2],N#CCC1=CC=C(NC(=O)C=2C=C(C3=CC=CC=C3)[NH1]N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008ABA0>,3.395080000000001,0.7746607949805706,2.068944595017461,1.8043593798853919
[C][C][O][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CC=1OC(S(N)(=O)=O)=CC=1C(=O)NCCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002764008AC10>,0.6029199999999992,0.8389566005785125,2.390847864464,1.803935138428563
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],O=C(NC1=CC=C(CN2CCOC2=O)C=C1)NC=3C=NN(C)C=3,<rdkit.Chem.rdchem.Mol object at 0x000002764008AC80>,2.0162999999999998,0.9031371951423719,2.2408062065402667,2.2748797691715925
[C][C][N][N][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch1][C],CCN1N=CC(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008ACF0>,0.5916200000000003,0.8091343990240845,2.1577149306868506,1.8879570644335715
[F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][C][=N][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][#Branch2],FC1=CC=CC(Cl)=C1CNCC2=NN(C3=NC=CC=N3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008AD60>,2.2348999999999997,0.9202264295417475,2.7806951588937086,1.820436988815029
[C][O][C][=C][C][=C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=N][C][=Ring2][Ring1][C][Ring1][#C],COC=CC=C1CC(=O)C(=O)N(CC(=O)NCC(C)C)C=NC1,<rdkit.Chem.rdchem.Mol object at 0x000002764008ADD0>,0.6748000000000001,0.575294122424106,3.731482630116691,-0.8550120179961609
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][N][C][C][O][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][Ring1][O][=C][Ring2][Ring1][Branch1],C1C=CC=CC1OCCN2CCOC(C3CCCO3)C2=C,<rdkit.Chem.rdchem.Mol object at 0x000002764008AE40>,2.2812,0.7774151570330585,4.412767876414806,-0.5256920912495135
[C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C],CCC=1C=N[NH1]C=1C2(C)CCCN2C(=O)C3=CC=CN=C3N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764008AEB0>,2.584500000000001,0.9372362858712127,3.498551718767012,1.187629710589051
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1][O][Ring1][S],CC(C)NC(=O)C1=NN=C(CC2=C[NH1]C3=CC=CC(F)=C23)O1,<rdkit.Chem.rdchem.Mol object at 0x000002764008AF20>,2.4190000000000005,0.7749324541796692,2.6088747219510253,1.2657875489473205
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC=1ON=C(C2=CC=CN=C2)C=1C(=O)NC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002764008AF90>,3.436420000000001,0.8037940400323658,1.9727387418021411,2.0462314583596877
[C][O][C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S],COCCOC1=CC=C(NC(=O)C2=CC=C(F)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C040>,3.103200000000001,0.8312199959563916,1.5097059281244771,2.646394051657481
[N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1],N#CC1=CC=C(N2CCN(CC(=O)N3CCCCCC3)CC2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C0B0>,1.4778799999999996,0.8412747649963968,2.1211336831108962,2.085240141871088
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][#C][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=N],CS(=O)(=O)NCC#CC1=CC=C(NC(=O)C2CCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C120>,1.3258999999999994,0.824026014489324,2.240578898946758,1.8795511734998618
[C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][S][Ring2][Ring1][C],CC1=NC=C(CNC(=O)C2=CC=C(C(N)=O)C=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C190>,1.4804199999999998,0.8859096014319997,1.9496448796638504,2.479903127496148
[O][=C][Branch1][=C][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=N],O=C(C1=CSC2=C1CCCC2)N3CCN(C4=CC=CC=C4O)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002764008C200>,3.294900000000002,0.910647663570436,2.239263133660348,2.3139751841918326
[C][C][=C][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Ring1][Branch2][C][N][C][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2],CC1=CC(C)=NC(=O)C1CNCC2=CC(C3=CC=CS3)=N[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002764008C270>,2.7914000000000003,0.891298900640928,3.6481934610731495,0.8083010421314905
[C][C][C][=N][NH1][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1],CCC1=N[NH1]C(SCC(=O)C2=CC=C3C(=C2)OCCO3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C2E0>,2.1132999999999997,0.6732371975609538,2.5578398373300253,0.8083461504747436
[C][O][C][C][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C],COCCCNC=NC(C1=CC=NN1C)=NC2=CC(=O)N(C)C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002764008C350>,-0.4497999999999991,0.40824317473577376,3.554456412540584,-1.513240538861715
[C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C(NC(=O)CN(C)C(=O)C2=CC=C(F)C(F)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C3C0>,2.9839200000000012,0.941983802035374,1.7695727400068009,2.9403462701700693
[O][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#C][C][C][C][Ring1][Ring1],O=C(NC1=CC=C2C(=C1)N(C(=O)C3=CC=CC=C3)CCC2)C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002764008C430>,3.6281000000000025,0.9386477902658232,1.8871471852609218,2.806091766068194
[C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][Cl],CCNC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764008C4A0>,1.3399999999999996,0.9098575141880157,1.8597810561064811,2.6895065148335977
[C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][N][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][O][C],COC1=CC(Cl)=C(C(O)C2=CC=CS2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764008C510>,3.5004000000000017,0.9337912404219446,2.571696958449735,2.0972592436599884
[O][=C][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],O=CCCC(=O)NCCCCC,<rdkit.Chem.rdchem.Mol object at 0x000002764008C580>,1.2718999999999998,0.4629199631740798,2.02024925371553,0.294350562154869
[O][=C][Branch2][Ring1][#Branch1][O][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][C][=N][O][Ring1][Branch1],O=C(OCC1=NN=C(C2=CC=C(Cl)C=C2)O1)C3=CC=NO3,<rdkit.Chem.rdchem.Mol object at 0x000002764008C5F0>,2.7350000000000003,0.6841905239106597,2.3629926746566348,1.057959944896664
[C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1][C],C1C=NN(CC(C)C)C(C(=O)NCCNC(=O)NC2CC2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008C660>,1.1857000000000004,0.6156577994869336,3.0680013114353715,0.010287685999296414
[C][C][=N][C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][#Branch1],CC1=NC(NCC2COC3=CC=CC=C3O2)=NC(NC(C)(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C6D0>,2.6423200000000007,0.8921230573054508,3.016399223325667,1.444216063201587
[C][C][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][S][C],CCC1=CC=C(SCC(=O)NC=2C=N[NH1]C=2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008C740>,3.0113200000000013,0.8246706919262662,2.3519591999347753,1.7713942596965557
[C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][C][Ring1][Branch1],CC1=CC(N)=CC=C1NC(=O)CCOC2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002764008C7B0>,2.8650200000000012,0.8019005991983734,2.0120720204475937,1.9974309755442734
[C][O][C][=C][C][=C][C][Branch1][P][C][N][C][C][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][=C][Ring1][S],COC1=CC=CC(CN2CCOC3(CCC3)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C820>,2.450100000000001,0.8186511979124967,2.5918676093373083,1.5013883802251753
[C][C][C][=C][N][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][=C][Ring2][Ring1][Ring2][C][=Ring2][Ring1][=Branch2],CC=1C=CNN=CC(C(=O)NC2=CC=CC(CN3CCOCC3)=C2)=CC=1,<rdkit.Chem.rdchem.Mol object at 0x000002764008C890>,2.9270200000000015,0.8875686259585338,2.647586406536865,1.790256723255804
[C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=Ring1][#C][C],CCOC(=O)C=1SC(NC(=O)C2=CC=CC=C2C)=NC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008C900>,3.1889400000000014,0.8808080172388068,1.8689027716258035,2.53513731456823
[C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(CC1=CC=C(OC)C(O)=C1)S(=O)(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008C970>,2.611600000000001,0.8879207216729037,1.888447695143883,2.5511559132206356
[C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2],CC1=C(Cl)C=CC=C1NC(=O)C2CCCN(C(N)=O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008C9E0>,2.3776200000000003,0.8787129087558735,2.3967299152618455,1.9968346285175222
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][Branch2][C][Ring1][O],CC1=NOC(C)=C1S(=O)(=O)N2CC3C4CCC(CC4)C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008CA50>,2.34814,0.8409136130671994,4.064762192824037,0.13980587251196042
[N][#C][C][=C][Branch1][=N][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][S][C][=C][N][=C][C][=N][Ring1][=Branch1],N#CC1=C(NCCCN2CCOCC2)N=CN=C1C3=CN=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002764008CAC0>,0.9394799999999994,0.7833197669223428,2.6487682319423485,1.267830602669366
[C][N][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Branch1],CN1C=CC(NC(=O)NC2=CC=C(OC3CCCC3)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008CB30>,3.385500000000002,0.909141901607657,2.105072155263679,2.4406373527746057
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C],COC1=CC=C(CNS(=O)(=O)C2=CC=C(F)C=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764008CBA0>,2.3214000000000006,0.8851273190595635,1.6819379851817118,2.7436986101161063
[C][C][O][C][C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][#N],C1COCCCNC(C)=CC1(C(=O)[NH1]C2=CC=CC=C2CC=C)C#N,<rdkit.Chem.rdchem.Mol object at 0x000002764008CC10>,3.1673800000000023,0.826465906926588,4.113997789716335,0.01833174491660472
[C][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],CCC(CO)(CO)NC(=O)CC1=CC=CC(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008CC80>,1.1320999999999999,0.7265169021305987,2.3218041230091835,1.3107803876438102
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][#C][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C],CCOC(=O)C1=C(C)[NH1]C(C(=O)CNC2=CC=CC=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008CCF0>,3.103040000000002,0.6349796695377539,2.077785904475533,1.097112443213236
[C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][C][=C][C][Ring1][#Branch1][=C][Ring1][O][S][Ring2][Ring1][Branch1][C],CC(=O)C=CN(CCNC(=O)C1=CN=C2C(F)=CC=CC2=C1S)C,<rdkit.Chem.rdchem.Mol object at 0x000002764008CD60>,2.4269,0.6223044196717945,3.0786265102837262,0.032895588075246174
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][C][C][Ring2][Ring1][Ring2],CS(=O)(=O)N1CCN(C(=O)NC2=NC=C(C3=CC=CC=C3)S2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002764008CDD0>,1.9192000000000002,0.8996075770827979,2.1899459261619647,2.3080919592520246
[C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][N][C][Branch1][C][C][C][O][Ring2][Ring1][Ring2],CC1CN(CC2=CC=CC(C3=CC=CC=N3)=C2)C(C)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002764008CE40>,3.357800000000002,0.8629055720985559,2.8575999100692293,1.45692795042355
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],COC1=CC=CC=C1NCC(=O)N(C)CC(=O)NC2=CC=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002764008CEB0>,2.51262,0.8117415406911357,1.8638791482645551,2.1948285551911235
[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=N],O=C(OCC1=CC=CC=N1)C2=CC=C(NC=CC(Cl)=CCl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008CF20>,4.683200000000003,0.6075590313424837,2.614337675071736,0.423457481640682
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O],O=C(NC1=CC=CN=C1)C2=C[NH1]C3=CC(Cl)=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008CF90>,2.8288,0.7638177428113595,2.036475928124476,1.7826127859323213
[C][C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][F][=N][O][Ring2][Ring1][C],CCC1=NC(CNC2=CC(NC(C)=O)=CC=C2F)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D040>,2.3415999999999997,0.8771038563480952,2.2381210151716573,2.1473982665688185
[C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][=Ring1][#Branch2][C][C][C][Ring1][Ring1],CC(C1CC1)N(C(=O)NC=2C=CN(CC(F)(F)F)N=2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002764007D0B0>,3.2402000000000015,0.9064115924193645,3.2971560239340167,1.234901938162806
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Ring1][=N][=C][Ring2][Ring1][Ring2],COC1=CC=CC(CN2C=NC3=CC=C(S(C)(=O)=O)C=C32)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D120>,2.4967000000000006,0.7417697397030641,2.0220568559460617,1.6867918425692592
[C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch1][NH1][C][Ring1][=Branch1][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][=N][C],CC(C1=CC2=C([NH1]C1=O)CC(C)(C)C)C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002764007D190>,2.0434,0.8265542432804891,4.1959839330697575,-0.06321271666731221
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C],COC1=CC=C(OC)C(CCNC(=O)C2=CC=CO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D200>,2.2693000000000003,0.8781751668677874,1.8406186293995361,2.550257204939401
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CCNC(=O)CNC(=O)C1=C[NH1]N=C1C2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002764007D270>,1.0816999999999994,0.7698431431532357,2.4578970754517258,1.3913186403144526
[C][C][C][C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][C][N][Ring1][P][C][Branch1][C][C][C],CCC1CN(CC2=CC=CC(C(=O)OC)=C2)CCN1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764007D2E0>,2.777800000000001,0.783214990802667,2.592078130502081,1.323996823511254
[C][=C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O],C=CCCC(=O)NC(C)(C)C1=NC(C2=CC=CC=C2)=NS1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D350>,3.5226000000000024,0.8305232610945338,2.728216241031909,1.4244000644407597
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][O][N][=Ring1][Branch1][C][=C][Ring1][P][O][C],COC1=CC=C(C(=O)N(C)C(C)C=2C=CON=2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764007D3C0>,2.5250000000000004,0.8462731661374241,2.7074124738448972,1.523953356842223
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][=N][Ring2][Ring1][Branch2],CC1=CC(C)=NC(C2CCN(C(=O)NCC3=CC=C(F)C=C3)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D430>,3.321740000000002,0.9307760216626302,2.176833901398746,2.4770462069144052
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1],CC(C)(C)NC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002764007D4A0>,3.7166000000000023,0.9075344799315007,1.9760276850617462,2.561644714595757
[C][C][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C],CCCCN(CCOC)C(=O)NC1=CC=CC(NC(C)=O)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764007D510>,3.2338200000000015,0.7719933498552997,2.077003509237569,1.7829632400389293
[N][C][=C][S][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][N][Ring1][N][Ring1][P],N1C=CSC2=NC(C3=CC=CC=C3Br)=NN21,<rdkit.Chem.rdchem.Mol object at 0x000002764007D580>,2.8280000000000003,0.8782379946930237,3.392296429521817,0.9988935439433009
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F][C][=C][Ring2][Ring1][C][F],COC=CC=C(C(=O)NC1=CC=C(F)C(F)=C1F)CF,<rdkit.Chem.rdchem.Mol object at 0x000002764007D5F0>,3.0984000000000016,0.29727672511042214,3.098446564622207,-1.6120629390700962
[N][#C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1][=C][Ring1][#C],N#CC1=CC=CC(NC(=O)C2=CC(Br)=C[NH1]2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D660>,2.90118,0.8924849931954001,2.153743504917479,2.308681461059521
[C][C][=C][C][=C][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring1][O][S][Ring2][Ring1][=Branch1],CC1=CC=C(CN(C)C(=O)CN2CCOC3=CC=C(N)C=C32)S1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D6D0>,2.4961200000000003,0.8746933576370778,2.4905565777075616,1.882910210477827
[C][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C],C=CCN(CC1=CC=CC=C1)C(=O)C2C=C(C)[NH1]C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002764007D740>,2.1286000000000005,0.8468598889636147,3.2887008291149424,0.9455986157031315
[C][N][C][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][C][Ring2][Ring1][C],CN1CCC2=C(C#N)C(C3=CC=C(O)C=C3)=NC2C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D7B0>,1.7191799999999997,0.8286404221272013,3.475052014443877,0.6681500961921296
[O][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],O=C(NC1=NN=C(C2=CC=C(F)C=C2)O1)C3=C[NH1]C4=CC=CC=C34,<rdkit.Chem.rdchem.Mol object at 0x000002764007D820>,3.609300000000001,0.6033232326581172,2.076105990803205,0.940510172487381
[C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C],COC1=CC=C(F)C=C1C(O)CNC(=O)C2=CC=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002764007D890>,2.6061200000000007,0.8924114177129984,2.289737146895522,2.1723199416694694
[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][O],CNC(=O)C1=C(C)N=C(N)N=C1C2=CC=C(Cl)C(C)=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002764007D900>,2.06124,0.7880879171574026,2.639181532520082,1.3012580532669307
[O][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C],O=C(CSC1=NN=CS1)N2CCN(S(=O)(=O)C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764007D970>,1.1633000000000004,0.719674388310144,2.221826783923129,1.3765451576275907
[C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1],CC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002764007D9E0>,1.4183999999999999,0.8172391283381145,2.4668899902951775,1.6193056513953952
[C][#C][C][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][P],C#CCN1CCN(S(=O)(=O)C2=CC=CC(Cl)=C2C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002764007DA50>,1.58792,0.7958950679125577,2.2712749562305987,1.7082003833321897
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C],O=C(NCC1CCCO1)C2=CC=C(OCC3=CC=CC=C3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764007DAC0>,3.174400000000002,0.8911244408601944,2.1170573235312027,2.338564880769769
[C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][Ring2][Ring1][C][C],CC1C=CC(C(=O)OC)=CCC(C(=O)N(C)C)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002764007DB30>,0.8102,0.7017991671996607,4.2924441433259455,-0.7834483073276419
[O][=C][Branch1][#Branch2][O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][Ring1][O],O=C(OCC1=CC=CS1)C2CC(=O)N(CC3CC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764007DBA0>,2.4399000000000006,0.7834015047137525,2.8075370849342782,1.1094704386344842
[C][C][N][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][#Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N],CCN1N=C(C#N)C=C1C2=CC(OC)=C(OC)C=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002764007DC10>,2.04108,0.8606081825682609,2.6383037674194085,1.6647371454218955
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],CC(C)NC(=O)C1=C[NH1]N=C1C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002764007DC80>,2.4931,0.895381240260429,2.546428529323334,1.930477671978811
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring2][Ring1][C][O][C],COC(=O)C1=CC(CNC(=O)C2CC2C3=CC=CO3)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764007DCF0>,2.494700000000001,0.8239765513944807,2.9213088399367013,1.1985739170357022
[C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][Branch1][C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1],CCN(CC(=O)NC(C)(C)C)C(=O)C1=CC=C2N=CC(C)=CN12,<rdkit.Chem.rdchem.Mol object at 0x000002764007DD60>,2.0195199999999995,0.9381856923884611,2.599767068259194,2.0911613936831115
[C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F],CC(C)C(NC(=O)C1CC1C2=CC=CN=C2)CCC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002764007DDD0>,3.6684000000000028,0.870295598885,3.48345488364086,0.8680231107841401
[C][O][C][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C],COCC(O)C1=CC(Cl)=CC(Cl)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764007DE40>,2.681800000000001,0.8935507348518856,2.763303882030968,1.70444979222846
[N][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][C][Ring1][N][=C][Ring1][S],NC(=O)CC1=NC=C2C=C(C=3C=COC=3)C(=O)[NH1]C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764007DEB0>,1.2108999999999996,0.74556387028395,2.7384226779825305,0.9893966734372195
[C][O][C][=C][C][=C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O],COC1=CC=C(N(C)S(C)(=O)=O)C=C1C(=O)NC(C)CO,<rdkit.Chem.rdchem.Mol object at 0x000002764007DF20>,0.2016000000000001,0.7815232327568367,2.6385788591836956,1.269037304600488
[C][=C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O],C1=CC(CC(=O)N2CCC3=CC=CC=C32)=CC(=O)N(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764007DF90>,0.8773000000000002,0.8262705728880986,2.1989325383281955,1.9324203261122976
[O][=C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][C][Ring1][Ring1][C][N][Ring2][Ring1][Ring1],O=C1CC(C(=O)NCC2=CC=CN=C2OC3CC3C)N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088040>,0.37349999999999933,0.7610091042295133,3.4523367624049808,0.3527087587425859
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][Branch1][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P],CC(=O)C=C1C=C(NC(=O)C(C)N2N=C(C)C=C2)CC=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400880B0>,2.22792,0.8627723867766323,3.716360219202987,0.597501714680174
[C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C],CC1=NN(C)C(=O)C(C(=O)NCC2=CC=C3C(=C2)OCO3)=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640088120>,1.0558399999999994,0.91545753184351,2.263362128743063,2.313925530474487
[C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],CC(C(N)=O)NC(=O)COC1=CC=C(C(F)(F)F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088190>,1.0742000000000003,0.8508928386998861,2.3456255426533215,1.9088386508461088
[O][=C][Branch1][P][N][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(NCSC1=NC2=CC=CC=C2S1)C3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640088200>,4.429300000000002,0.5666285414823122,2.142813860028639,0.6903288473829221
[C][C][C][C][C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][C][=Branch1][C][=O][N][Ring2][Ring1][C],CCCC1CC(C(=O)OC2CCCCNC2=O)CC(=O)N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088270>,0.8932,0.754707431563832,3.8280171677467667,-0.0544800099276066
[C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C],CC(CNC(=O)CNCCCNCC)=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400882E0>,-0.7191999999999992,0.44399143663645174,2.2669466272466927,-0.04698944406443406
[C][=C][S][C][Branch2][Ring1][Ring1][C][=N][O][C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][=N][Ring1][N][=C][Ring1][P],C1=CSC(C2=NOC(CSC3=NN=CS3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088350>,2.9419000000000004,0.6854581467237768,2.6243036859129543,0.8029870477059298
[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=N],COC(=O)NC1=NC2=C(S1)CN(C(=O)NC(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400883C0>,1.7974999999999999,0.8717351586931562,2.4679104807061236,1.8907653127596573
[C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N],CNC(=O)COC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088430>,1.8977999999999995,0.871007810508492,2.087922388798031,2.267116663744429
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CC1=NOC(C)=C1C(C)C(=O)N(C2CC2)C(C)C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x00000276400884A0>,4.286240000000004,0.8215500459322085,3.345539393365174,0.7622108362958686
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=C(S(=O)(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088510>,1.8813,0.904967487051135,1.8137990781847506,2.711038357070924
[C][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][N][=N][C][=Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CCC=C(C(=O)NCCCO)N=NCC1=CC=C(F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088580>,2.570400000000001,0.43898412438093726,2.9695312345130045,-0.7746106126083183
[C][C][S][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring2],CCSC1=NC=C(CNCC(O)C2=CC=C(OC)C=C2)C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x00000276400885F0>,1.7136999999999998,0.5028317888804342,2.8682913646032535,-0.35413242020108227
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2],CNC(=O)C1=CC=CC(C(=O)OCC2=CC=C(OC)C(OC)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088660>,2.4204000000000008,0.8240236214944032,1.757598131200119,2.362519976271897
[C][C][=C][C][=C][Branch2][Ring1][=C][N][N][=C][Branch1][Ring1][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2],CC1=CC=C(N2N=C(CC)C(C3=NC(C4=CC=NC=C4)=NO3)C)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400886D0>,3.856220000000002,0.5205394186047441,3.8392768196346356,-1.2365797266109153
[C][C][=C][C][=C][C][Branch2][Ring1][N][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][Branch1],CC1=CC=CC(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088740>,2.01952,0.851223753154016,2.1105395110329113,2.145579254737169
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=C],CC(C)(C)C(=O)NCC1=NN=C(C(=O)NCCC(F)(F)F)S1,<rdkit.Chem.rdchem.Mol object at 0x00000276400887B0>,1.8825999999999996,0.8585457558249244,2.663837946046174,1.6288908330784482
[C][C][Branch1][C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][O][C],CC(C)N(CCC#N)C=CC=C(S(C)(=O)=O)COC,<rdkit.Chem.rdchem.Mol object at 0x0000027640088820>,1.69908,0.6351190419667146,3.7535640204475937,-0.5779688106140206
[C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][O][O][C][=C][Ring2][Ring1][Branch1][C],C1C=C(CNC(=O)C2(C3=CC=CC(F)=C3)CCC2)OC=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640088890>,3.5716000000000028,0.9229808559412347,3.0718119427946977,1.5430923369114762
[O][=C][C][C][C][C][Branch1][P][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][N][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C1CCC2C(CCN2C(=O)C3=CC=C[NH1]3)N1C4=CC=CC=N4,<rdkit.Chem.rdchem.Mol object at 0x0000027640088900>,1.8198,0.9196456190351,3.4175522106224125,1.1806758845530876
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][S],CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(O)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088970>,3.942000000000003,0.867110860078098,1.6382665646222083,2.697287735768282
[C][C][C][=N][NH1][C][Branch2][Ring1][Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2],CCC1=N[NH1]C(C2CCCN2C(=O)CC=3C(C)=NOC=3C)=N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400889E0>,1.87814,0.9313343655435788,3.1908187357984232,1.4658530919194712
[C][C][=N][N][Branch1][P][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][S][=O],CC1=NN(CC(C)C2=CC=C(Br)C=C2)C(=O)C1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640088A50>,2.3398000000000003,0.8047732123528296,3.170487727680505,0.8533783340836436
[C][C][Branch1][C][C][O][C][C][C][C][C][O][C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][C],CC(C)OC1C2CCCOC2CCN(C(=O)OC(C)(C)C)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088AC0>,3.216000000000002,0.7851818069377129,3.5900794990254745,0.3358295356630898
[C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N],CC(C)N(CC(C)(C)O)C1=NC=CC=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x0000027640088B30>,1.9389800000000001,0.8629849801932968,2.80466350491748,1.5102613960490041
[C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1],CCC1=CC(=O)[NH1]C(SCC(=O)N2CCC3=CC=CC=C3C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088BA0>,2.0093,0.6882229790001302,2.4625796331136947,0.9785352618869565
[C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],CC(C)N1N=CC=C1C(=O)N(C)C2=CC=CC(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640088C10>,3.394000000000002,0.8623782286074495,2.318387700920967,1.99350344211628
[O][=C][Branch1][Ring1][C][O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O][C][C][Ring2][Ring1][Ring1],O=C(CO)N1CCN(C(=O)C2(C3=CC=CC=C3)CCCC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088C80>,1.1615000000000002,0.9102068033265015,2.215994318428379,2.3350396982041284
[C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O],CC1=CC=C(NC(=O)CSC2=CC=NC=C2)C=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640088CF0>,2.5243200000000003,0.8492094918022153,2.0856623231388376,2.1603851358722386
[C][C][C][=C][N][Branch2][Ring1][Ring2][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][O][Ring1][=Branch1][N][C][C][Ring1][P],CCC1=CN(C2=C(C)C(C)=NC=NC=NN2)NCC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088D60>,1.9495399999999998,0.8502242378650622,4.1067597067515695,0.14436148257374093
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1],O=C(C1=CC=CC(O)=C1)N(CC2=CC=C(C(N)=O)C=C2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640088DD0>,2.2959000000000005,0.8884782208048181,1.9424710229738338,2.4999200810502566
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCC=1ON=C(C)C=1NC(=O)CCC2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640088E40>,3.770120000000002,0.9124213797176152,2.1923668942925367,2.369740004295539
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][=C],CCN(CC)C(=O)C=1C=CN(COC2=CC=C(Cl)C=C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x0000027640088EB0>,3.0550000000000015,0.8238052537743624,2.1266078968337343,1.9924183720380775
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2],C1C(C)C=CC=C1C=C(N2CCOCC2)N3CCOCC3C=N,<rdkit.Chem.rdchem.Mol object at 0x0000027640088F20>,2.03277,0.8062161019429633,4.472089753676373,-0.44100924396155694
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Cl],CNS(=O)(=O)C1=CC(C(=O)NC(C)CC2=CC=CC=N2)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640088F90>,2.0040999999999998,0.816954322246187,2.570849860923362,1.5139217503075733
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][#N][C][=C][Ring2][Ring1][Branch1],C1C=CC=C(C=2[NH1]C3=CC=C(C)C=C3C(=O)C=2C#N)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082040>,3.441600000000001,0.8554148147715347,2.867697171909658,1.4093769019480158
[C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][NH1][C][Branch1][N][C][=C][N][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][Ring1][N][=C][Ring2][Ring1][C],CC1=CC=CC(C2=N[NH1]C(C3=CN=CC(N)=C3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400820B0>,2.42432,0.7325797021381374,2.36643719527277,1.296461315417917
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring1][N],O=C(CC1=CC=C(F)C=C1)NC=2C=CN(C3=NC=CC=C3Cl)N=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640082120>,3.2410000000000014,0.7985573858889106,2.155597814931875,1.837189114512678
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][=C][Ring2][Ring1][=Branch1],NC(=O)C1=CC=CC(CNC(=O)N2CCC(OC3CCCCC3)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082190>,2.4186999999999994,0.8593277531064674,2.7130350763267703,1.5836036892055665
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][O][Ring1][=N],CC(C)(C)C(=O)NCCC1C2CN(C3=NC=CC=C3F)CC1O2,<rdkit.Chem.rdchem.Mol object at 0x0000027640082200>,1.9766999999999997,0.9211854115109396,4.328269786043668,0.27765727151103015
[C][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring2][Ring1][Branch1][Ring1][O],CC=NN(CC1=CC=CC(Cl)=C1)C2=NC=NC(N3C=CN=C3)=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640082270>,3.328000000000001,0.5327910235725702,3.013454813157531,-0.34949969529467984
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2],CCNC(=O)CNC(=O)CSC1=CC=C(C(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400822E0>,2.3285,0.7930765876068933,1.9825553613228593,1.9828275767116068
[C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][S][Ring2][Ring1][C],CC1=CN=C(NC(=O)CC2=C(C)N=C(C)[NH1]C2=O)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082350>,1.33286,0.8863294764717689,2.634476754175404,1.7971706281834399
[C][O][C][C][N][=C][Branch1][O][C][C][N][C][C][O][C][Ring1][Branch1][=O][NH1][C][=Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],COCC=1N=C(CCN2CCOC2=O)[NH1]C=1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400823C0>,2.2178000000000004,0.8880745337296866,2.6447303283406036,1.795642340307829
[C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1],COCC1=CC=C(C(=O)N2CCCC(C(=O)NCC3CC3)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082430>,2.2113999999999994,0.869887906072337,2.3958532957238567,1.9535862346378288
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2],CC1=CC=CC=C1OC(C)C(=O)NC2=CC=C3OC(=O)[NH1]C3=C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400824A0>,2.83552,0.7755777956950154,2.544031482946446,1.333857495528631
[C][C][=C][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],CC1=C[NH1]C=C1C(=O)N2CCN(C3=NC=CC=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640082510>,1.0755199999999998,0.8872387556358392,2.449683169396744,1.986510608782452
[C][O][C][=C][C][=C][Branch1][S][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][N][C][=C][Ring1][P][O][C],COC1=CC=C(CC2=NC3=CC=CN=C3N2N)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640082580>,1.7530999999999999,0.7387251598276441,2.25796362043217,1.4356621787060506
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P],CC(=O)C1=CC=CC(NC(=O)C2=CC=C(C)C=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400825F0>,3.7583400000000022,0.8605916634833272,1.5842162149718568,2.7187421024447787
[C][=C][C][N][C][Branch1][C][N][=N][N][=C][Ring1][=Branch1][S][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C],C=CCN1C(N)=NN=C1SC(C)C2=NC3=CC=CC=C3N2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640082660>,2.7863000000000016,0.5787820027330384,3.114318735798422,-0.22040872213323048
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1],CC(=O)N1CCC2=CC(NC(=O)NC3=CC=CC=C3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x00000276400826D0>,3.239600000000001,0.8931435217832591,1.8126706099340115,2.6530469989822834
[C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][C][S][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][=C],CCNC(=O)CSC=NN=C(C1=CC=CC=C1)CCS(C(C)C)O,<rdkit.Chem.rdchem.Mol object at 0x0000027640082740>,3.5610000000000017,0.25544877427697693,4.189778584438654,-2.9125347130537698
[C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CCN1C(C)=NN=C1SCC(=O)NCCC2=NC3=CC=CC=C3[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x00000276400827B0>,1.9337199999999994,0.6395108806764774,2.276486984592024,0.9210674187903631
[O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(COC1=CC=CC2=CC=CN=C12)NC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640082820>,3.252300000000001,0.7966452183950421,1.6377637196877526,2.345462372287458
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][Ring1][#Branch1][C],CC1=NN(C)C(C)=C1CCC(=O)N2CC(C)OCC2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640082890>,1.6053399999999998,0.8442127195035305,3.212034968593022,1.0090286289246304
[C][C][=C][C][=C][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=N][Ring1][#C],CC1=CC=CC(CNC2=CC=C(F)C=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082900>,2.53622,0.8580570950605358,2.080680247923583,2.209605227379096
[C][C][C][N][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][Branch1][C][C][C],CCCNC(C1)(C#N)CC(C)CCC1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640082970>,3.730680000000003,0.754929390262427,3.795736603277936,-0.021089651965800815
[C][C][=N][O][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1],CC1=NOC2=NC(C3CC3)=CC(C(=O)NC4=CC=CC(C)=C4)=C12,<rdkit.Chem.rdchem.Mol object at 0x00000276400829E0>,3.9693400000000025,0.7946829347043396,2.2147880569975023,1.7586266165241957
[C][N][C][C][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Ring2][Ring1][Ring2],CN1CCOC(CNC(=O)C2COC3=CC=CC=C3O2)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082A50>,0.2732000000000008,0.8665718828144071,3.0887830122129873,1.244076401859048
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CC(C)(C)C(=O)NCC(=O)C1=CC=C2C=CC=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082AC0>,3.184800000000002,0.8697891267054109,1.9336050261606683,2.415340607366386
[O][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][Branch1][C][F][Branch1][C][F][F],O=C(COC(=O)C1=CC2=CC=CC=C2[NH1]1)NCC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x0000027640082B30>,2.0032,0.8484413377768321,2.1542123206974217,2.087994368186738
[C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=N][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=N][O][Ring1][=C],CC(C)(CO)NC(=O)C1=NC(C2=CC=C(C(C)C)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082BA0>,2.3607000000000005,0.884922118975495,2.357132587955988,2.067478006921487
[C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][O][Ring1][#Branch1],CNC(=O)CN(C)S(=O)(=O)C1=C(C)OC2=CC=C(N)C=C12,<rdkit.Chem.rdchem.Mol object at 0x0000027640082C10>,0.6899199999999995,0.8081425107881157,2.6011392248277723,1.4395733291128066
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][S],CNS(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082C80>,2.1554199999999994,0.9085693436157259,1.688258209291586,2.8545885087870433
[C][C][C][=C][Branch1][C][C][S][C][Branch1][=N][N][Branch1][Branch1][C][C][C][#N][C][C][C][Ring1][Ring1][=C][C][Ring1][#C][=O],CCC1=C(C)SC(N(CCC#N)C2CC2)=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640082CF0>,2.861600000000001,0.8192617155334257,3.2418725688490566,0.8544360088180722
[C][C][Branch1][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C][Ring1][P],CC(C1)CCN(S(=O)(=O)N2CCC(C)CC2)CCC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082D60>,2.475200000000001,0.7829947001893646,2.5890417096543263,1.3259317912924966
[C][C][S][C][N][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][C][=Ring1][=N][Ring1][=Branch2],CCSCN=C(C)NC(=O)N(C1CC1)C=NC,<rdkit.Chem.rdchem.Mol object at 0x0000027640082DD0>,1.9475,0.46415061976472666,4.144022769131526,-1.823269670307893
[N][N][C][Branch1][O][S][C][C][Branch1][C][F][Branch1][C][F][F][=N][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],NN1C(SCC(F)(F)F)=NN=C1C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640082E40>,2.591500000000001,0.5377186875465761,2.4938106671863096,0.194782770546571
[O][=C][Branch1][#C][N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][O][C][C][C][C][C][Ring1][Branch1],O=C(NC1CC2CCC1C2OC3)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640082EB0>,1.8602999999999994,0.6804601324674149,5.361228055820136,-1.9589273934830613
[C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][=C][Ring1][P],COC1=CC=C(CC(=O)NC2=C[NH1]C(=O)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082F20>,1.5647,0.8739314100901229,1.9014002255757987,2.468256824874816
[C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C],COC(=O)N1CCC(CNC(=O)C2=CC=C(O)C(Cl)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640082F90>,2.2538,0.8926376609880355,2.0637627014490523,2.3994256034911254
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Branch1],CC1=CC=C2C(C=NN2CCC(=O)NC3=CC=CC=C3F)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092040>,3.512620000000002,0.8007181617889695,1.9541783022417007,2.0494125067031463
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring1],CC1=CC=C(C(C)NC(=O)NCC2=CC=CC(F)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x00000276400920B0>,3.756020000000002,0.884905959291832,2.4578540311459616,1.966675765313198
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1],C1C=CC=C(C)C1S(=O)(=O)NCC2=CC=CC(S(N)(=O)=O)=C2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640092120>,1.3366200000000001,0.8299271740783672,3.434338625530911,0.7152972448609249
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][C][O][Ring2][Ring1][Ring2],COC1=C2C=C(C=C1C3NC4=CC=CC=C4C(=O)N3C)CCO2,<rdkit.Chem.rdchem.Mol object at 0x0000027640092190>,2.8264000000000005,0.9265099174602952,3.9811079378406973,0.6514416494607786
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][Branch1][C][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(CC(=O)N(CCCC(C)=O)C2CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092200>,2.597900000000001,0.7387606504255378,2.011766432103258,1.6820368200244316
[C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O][C][Branch1][Ring1][O][C][=C][Ring1][P],CCOC1=CC=C(NC(=O)C(C)CS(=O)=O)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092270>,1.2798999999999998,0.741466927449736,3.0549214304133603,0.6524132068353197
[O][=C][Branch1][N][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1],O=C(CCSC1=CC=CC=N1)NCC2=NC3=C(S2)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x00000276400922E0>,3.2155000000000022,0.8248458999125634,2.4789070258258104,1.6453224737370071
[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=N][Ring1][=C],CC(C)COC1=CC=C(C(=O)NC(C)(C)C)C(N)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092350>,2.2269,0.8747917014624341,2.36182063583221,2.012137871479961
[C][=C][C][=C][C][Branch2][Ring1][#C][C][N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][Ring1][S][=C][Ring2][Ring1][#Branch1],C1=CC=CC1CNC2=CC=C(NCC=3C=NN(C)C(=O)C=3C)C2=C,<rdkit.Chem.rdchem.Mol object at 0x00000276400923C0>,1.8477199999999998,0.8390645515425263,3.837119003085041,0.35820375462759024
[N][#C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][N][=O][C][C][Ring1][=C][C][C][C][C][C][Ring2][Ring1][=Branch1],N#CC1(C(=O)N2CCN(C(=O)CCNC(N)=O)CC2)CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092430>,0.18968000000000051,0.7616968959819131,2.5362210933126352,1.2722633865969306
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C)C3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x00000276400924A0>,3.7910200000000023,0.745547749549481,1.881025453447208,1.846713294300197
[C][C][Branch1][C][C][C][C][Branch1][Ring1][C][#N][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC(C)CC(C#N)N(C)S(=O)(=O)C1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092510>,2.8987800000000012,0.8397528717187598,2.9090372452131064,1.2897271133806925
[C][C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1][O][C][=Ring2][Ring1][Ring1][C],CCC=1C=C(C(=O)NC2=CC=CC=C2N3C=NN=N3)OC=1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640092580>,2.37842,0.7986870990879403,2.3879189615823613,1.6055165338573403
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N],CCN(CC)C(=O)C1CN(C(=O)OC(C)(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x00000276400925F0>,2.1117999999999997,0.7889368020426504,2.5383258605977232,1.4063581496155289
[C][C][O][C][C][O][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][N][C][Ring1][S],CCOC1COC2(CCN(S(=O)(=O)C3CC3)CC2)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092660>,1.1385999999999996,0.7785541797386228,3.8923328792674443,0.00043801942566989993
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][#N],CS(=O)(=O)NCC1=NN=NN1C2=CC=CC(Cl)=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x00000276400926D0>,0.2365800000000004,0.8645094150926474,2.638535375811017,1.6840116996522205
[C][C][N][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#C][Ring1][#Branch1],CCNC1C=C(C(=O)OCC)C2=CC=CC(F)=C12,<rdkit.Chem.rdchem.Mol object at 0x0000027640092740>,2.436400000000001,0.8328419855710292,3.2752671122958894,0.8889428155592567
[O][=C][Branch2][Ring1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][N][C][C][C][C][C][Ring1][Branch1],O=C(CS(=O)(=O)C=NN=C(C1=CC=CC=C1)N=N)NC2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400927B0>,1.88107,0.35241011154672774,3.2109429849854934,-1.4488924272518546
[C][C][=C][S][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][=N][Ring2][Ring1][=Branch1],CC1=CSC(N2CCN(C(=O)NC3=CC=CC(C)=C3C)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092820>,3.422460000000002,0.9176630123999409,2.107145926819987,2.4811691351797176
[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F],CN(C)C1=NC(N)=CC=C1NC2=CC(Cl)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640092890>,3.2659000000000002,0.9059808557451262,2.3936734997375346,2.1362307789880965
[C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(NC(=O)NCCC1=CC=C(O)C=C1)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640092900>,2.3901000000000003,0.7893605734575723,2.3911105375053747,1.5556923297824867
[O][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],O=C(CCNC(=O)NC1CCCCC1)C2=CC=CC3=NC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x0000027640092970>,3.4395000000000016,0.8273035542209914,2.056772803990018,2.079744967114939
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][N],CC1=CC=C(C(=O)C(C)OC2=CC=C(F)C=C2C)C1N,<rdkit.Chem.rdchem.Mol object at 0x00000276400929E0>,2.68412,0.9187969394086024,3.519773430131483,1.0742112669115293
[C][C][C][C][N][C][Branch1][C][N][=C][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][C][=O],CCCCN1C(N)=C(C(=O)C2=CC=C(OC)C=C2)C(=O)[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640092A50>,1.1585,0.777383399733839,2.1302892235232846,1.75662777514591
[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1],CC1=CC=C(N2C=CN=C(NC(=O)C3=CC=CC=C3)C2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092AC0>,1.90472,0.9178270728318909,2.7811971552636816,1.8079382088957727
[C][C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][O][C][Branch1][C][C][=N][Ring2][Ring1][Ring2],CCN1C=C(C(=O)NC2=CC=C(S(=O)(=O)CC)C=C2)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092B30>,2.25732,0.915626840641091,2.110161049494449,2.4679731537110055
[C][C][C][=N][C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=N][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][Ring1],CC1C=NC(NCC2=CC=CC=C2Cl)=C3C=N[NH1]C3=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092BA0>,1.0110999999999999,0.8848195099643896,3.944837168698064,0.4792603811238836
[C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2],CN1C=NN=C1SCC(=O)C2=CC=C3C=CC=NC3=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640092C10>,2.3383000000000003,0.5433767887573777,2.207786087168625,0.509097856618264
[C][C][N][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1],CC=1N=C2N(N=1)CCCC2NC(=O)NCC(=O)N3CCCCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640092C80>,1.1232200000000003,0.8663717663617744,3.053709119056533,1.278149712752339
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2],CCCN(CC1CC1)C(=O)NCC2=CC=C(S(N)(=O)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640092CF0>,1.6656,0.7983478098753932,2.1122287418021415,1.8795103075748245
[C][C][=C][C][=C][C][Branch2][Ring1][S][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(OS(=O)(=O)C2=CC=C3C(=C2)C(C)(C)C(=O)N3)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640092D60>,2.992420000000001,0.8776985139476287,2.3669705422046032,2.02152202753354
[C][C][C][N][N][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CCCN1N=NC(CO)=C1C2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640092DD0>,2.500800000000001,0.9084398695710559,2.403170427994402,2.139028919860878
[C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CN(CC1=CC=C(F)C=C1)C(=O)CNC(=O)NCC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640092E40>,2.422600000000001,0.8430510891175941,1.8879061812315872,2.327349264356383
[C][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Ring2][Ring1][Ring2],COCC1CN(C(=O)CCC2=CC=CC=C2)CC=3C=NN(C)C=31,<rdkit.Chem.rdchem.Mol object at 0x0000027640092EB0>,2.1251000000000007,0.8493658380355285,3.0472498369001855,1.199579353277457
[C][C][Branch1][P][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F],CC(NC(C)C(=O)N1CCCC1)C2=CC(F)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640092F20>,2.6263000000000014,0.9204422995498915,2.800927322905375,1.801284174844083
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C][O][C],COC1=CC=C(C2=CC(=O)C3=CC=C(N)C=C3O2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640092F90>,3.059400000000001,0.7519625318471757,2.046627079271124,1.7131855799647546
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][C][C][=O],COC1=CC(C(C)=O)=CC=C1OC(=O)C(C)NC(C)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640098040>,1.3277999999999999,0.4992842733159484,2.395244410577849,0.10117695600189291
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N],O=C(NCC1=CC=CO1)C2CC(=O)N(C3=CC=C(F)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400980B0>,2.0879999999999996,0.9403687273240869,2.424017636897325,2.2778259997231096
[C][O][C][=C][C][=C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][=N][Ring2][Ring1][Branch1],COC=CC=CCSC(NC(=O)NCCCN1C=CN=C1)=N,<rdkit.Chem.rdchem.Mol object at 0x0000027640098120>,1.95667,0.2241179217734903,3.4626464341098337,-2.3420568252423823
[C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(CNC(=O)C1=C(N=CN1C)N(C)N)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098190>,1.2635000000000005,0.64107035924165,3.0795541184072315,0.12579767780101836
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=CC(CNC(=O)C2=CC=NC(N(C)C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098200>,2.0359999999999996,0.8857765025276241,1.9800568402815273,2.448825672356593
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][S][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][Branch2][C][C][=C][Ring2][Ring1][Branch1],COC=CC=C(C1CNCCS1=2CC(C)=NN(C)C=2C)C=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640098270>,2.2386999999999997,0.3605203969267637,5.888187506591679,-4.085585521957861
[C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][=C][N][=C][Ring2][Ring1][C][C],COC1=CC(NC(=O)C2=CC=C(OC)C=C2O)=CN=C1C,<rdkit.Chem.rdchem.Mol object at 0x00000276400982E0>,2.36512,0.9023685243010506,2.0072425594242116,2.5046000620810416
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=C][C][=C][Ring1][#C][Ring2][Ring1][C],CC(=O)N1CCC2=CC(C3=NC4=CN=CC=C4[NH1]3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640098350>,2.5339,0.7437204133804735,2.3921899003817284,1.326412166520639
[C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Ring1][S][N],CCNC(=O)C=1C=CC(=O)N(CC2=CC=CC=C2OC)C=1N,<rdkit.Chem.rdchem.Mol object at 0x00000276400983C0>,1.2370999999999999,0.8696049273562302,2.1635685022056723,2.1844561345754787
[C][N][Branch1][C][C][C][=C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][C][Ring2][Ring1][Ring2],CN(C)C=C1CN(C(=O)C2=CC=CC(OC3=CC=NC=C3)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098430>,3.165300000000002,0.8668729854463212,2.5154274528194502,1.8189374744121558
[C][O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C],COC1CCCN(C(=O)NC2=CC=C(C(N)=O)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400984A0>,1.4282,0.8760849641567509,2.3744185915855223,2.006006229198232
[C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][=C][C][=C][S][Ring1][Branch1],CC(NC(=O)CNC1=CC=C(C(=O)N(C)C)C=C1C2)=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098510>,2.580800000000001,0.8302314873748027,3.6633471708162686,0.48781026605774525
[C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CNC(=O)C(=O)N(CC(=O)NCC1=CC=CN=C1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098580>,0.477000000000001,0.7818393879354884,2.264768098107666,1.6444288415697756
[C][C][Branch1][Ring1][C][#N][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O],CC(C#N)CNS(=O)(=O)C1=CC(Br)=CC=C1O,<rdkit.Chem.rdchem.Mol object at 0x00000276400985F0>,1.5926799999999999,0.8816999784711081,2.9312927296829923,1.4772071626725483
[C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1],CC1=CC=CC(N(C)C(=O)CSC2=NC=CC=C2C)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098660>,2.8485400000000007,0.8112419023042328,2.475315520666163,1.5808939908550013
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S],CCOC(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CS2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400986D0>,2.4033000000000007,0.8278869381453217,1.8595953805364722,2.2798393101901357
[C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][=Branch1],CN1C(=O)C(=O)[NH1]C2=CC(C(=O)NCCC3CCCC3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640098740>,1.536899999999999,0.8394162725246948,2.251224743388036,1.9458566192354372
[C][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2],CN(CCC#N)S(=O)(=O)NC1CCC2=CC(Br)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x00000276400987B0>,2.1162799999999997,0.8763267783693087,3.102689915261845,1.2789439765846993
[C][O][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][C][=Ring1][N][C][Branch1][C][N][=O],COC(=O)C=1C(C2=CC=CC(F)=C2)=NOC=1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640098820>,1.3662,0.8443744661083791,2.3066344464830983,1.9152378840587971
[O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][C][C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(NC1(C2=CC=C3C(=C2)OCCO3)CCCC1)C4=CC=C(F)C=C4,<rdkit.Chem.rdchem.Mol object at 0x0000027640098890>,3.7962000000000025,0.9237467500248878,2.25511024566031,2.3636235044641287
[C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#Branch2],CN1C=C(Br)C=C1C(=O)N2CC(C3=CC=CC=N3)C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098900>,2.4222,0.8522657292455957,2.4461313818409174,1.815197264387061
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][O][Ring2][Ring1][Ring2],CC1=CC=C(C(C)NC(=O)NC(C)COCC(F)(F)F)O1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098970>,2.9156200000000014,0.849087451328863,3.2409746983956573,1.0044625582486573
[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][=N][N][C][=Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C],CCN(CC)S(=O)(=O)CC=1N=NNC=1CN(CC2=CC=CN=C2)CC,<rdkit.Chem.rdchem.Mol object at 0x00000276400989E0>,1.393399999999999,0.6827296385500203,3.109437609803016,0.3042105829470856
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1],CC1=CC=C(C)C(S(=O)(=O)CC2=NOC(C3CC3)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098A50>,3.1427400000000016,0.867917898129717,2.4584749562305976,1.8811145344179874
[O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1],O=C(C1=C(F)C=CC=C1Cl)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098AC0>,1.9515,0.754649091239887,1.8600746291944859,1.913170827004949
[C][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring1][=N],COC(=O)C1CCCN1CC2=NN=C(C3=CC=C(OC)C=C3)O2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098B30>,1.8825999999999998,0.7791136500825603,2.563064522214871,1.3325037281979304
[O][=C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],O=C(CC1=CC=NC=C1)NC2=CC=NN2C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640098BA0>,2.964500000000001,0.9386252913863858,2.198159997603387,2.494966459328542
[C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][P][=N][NH1][Ring2][Ring1][=Branch1],CC1=CC(C(=O)NC=CC(S(C)(=O)=O)=CCC(C)(C)C)=CN[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098C10>,1.8765,0.6657988699433465,4.099165750275221,-0.7701714005584885
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C],CCS(=O)(=O)NCC1=NN(C(C)C)C(=O)C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640098C80>,1.4166999999999992,0.9053645918100126,2.3812007054524127,2.145622253597651
[C][O][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][N][=O],COCC(NC(=O)C1=CC=NC=C1Cl)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640098CF0>,-0.034900000000000264,0.7741766666667754,2.6785753383786446,1.1923079949552324
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=C][=C][Ring2][Ring1][Branch2],CC1=CC=C(C)C(NC(=O)C2=CSC(COC3=CC=CC(F)=C3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640098D60>,4.7303400000000035,0.7188944853718355,2.024867487530921,1.569604939328257
[C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][=C][Ring1][#Branch2],CN(CC1=CC=C(F)C=C1)C(=O)C2=CC=CC(NC(N)=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640098DD0>,2.5885,0.9104189252090686,1.7798666106546026,2.7722280153907404
[O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][C][O][C][C][Ring1][=Branch1],O=C(NCC(C1CCOC1)N2CCOCC2)CC=C3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640098E40>,0.9667999999999999,0.731419783058085,3.829995494706951,-0.17289657941652647
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=N][N][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][P][Ring2][Ring1][=Branch2],N=1C(=O)C=CC=CC=1CNC=NN=CC(C2=CC=CC=C2)=CC=CC=CC=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640098EB0>,3.927500000000003,0.31474835728539846,3.581098351416884,-2.007356564989892
[C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1],COC1=C(Cl)C=C(CNC(=O)NCC2=CC=CO2)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x0000027640098F20>,4.094200000000002,0.7322339160901382,2.186302369207411,1.4748672112432804
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F],COC1=C(Cl)C=CC=C1NC(=O)C2=CC(F)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640098F90>,3.879100000000001,0.933453858409099,1.8483152359508779,2.8189540560946167
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=C(C(=O)NC2CCCN3N=C(C)N=C32)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E040>,1.8098199999999998,0.9041755312911416,2.787885684129879,1.732991972325829
[O][=C][Branch1][N][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O],O=C(NCCC1=CC=NC=C1)C2=CC=NC(N3C=NC=N3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008E0B0>,1.0298,0.7593165231748171,2.2439164932814304,1.5526661225926555
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring1],CNC(=O)C1=CC=CC(NCC2=CC=CC=C2OCC(N)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E120>,1.5223999999999998,0.722289399388966,1.8831108972341895,1.7283360997106403
[C][O][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][C],COC(=O)C(NC(=O)CCC1=CC=CC=C1Cl)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764008E190>,2.5864000000000003,0.8212056776935484,2.289185532977463,1.816842855490279
[C][C][C][Branch1][Ring1][C][O][N][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][S],CCC(CO)NC1=CC=C(CC(=O)NC2=CC=CC=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E200>,2.4456000000000007,0.7339248890674404,2.4402571973368854,1.2293672480003162
[C][C][O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Ring1][N][C],CCOC(=O)NC1=NC=C(C2=CC=CC(Br)=C2)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002764008E270>,3.418000000000002,0.9411077141778255,2.325163021898973,2.3803755489901537
[O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O],O=C(CC=1C=CSC=1)OCC2=NC(C3=CC=CC=C3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002764008E2E0>,3.0840000000000014,0.6774289949140225,2.1172560273800602,1.2698889471900525
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=N][=N][Ring2][Ring1][C],CC(C)C1=NOC(C2CCN(CC3(O)CCCCC3)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E350>,2.677500000000001,0.924440243941492,3.1338159221207587,1.4883852975867011
[C][C][C][N][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],CCCN1C=C(N)N(CC2=CC=CN=C2)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002764008E3C0>,3.075800000000002,0.9345671351587425,2.643150303912625,2.0296853718810874
[O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC=1C=N[NH1]C=1)NC(C2=CC=CC=C2)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002764008E430>,3.320800000000002,0.6900863442497834,2.0407316412104244,1.4097000800384927
[C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1],CCN(CC1CC1)C(=O)NC(C)C2=CC=C3C(=C2)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002764008E4A0>,4.067900000000003,0.8732610072972622,2.662185981455991,1.7041190550303202
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2],C1NC(=O)C=CC=C(OC)C1NCC(=O)NC2=CC=CC=C2C=C,<rdkit.Chem.rdchem.Mol object at 0x000002764008E510>,1.4425999999999994,0.7386451873646619,3.4913019382577932,0.20192399856551635
[C][N][C][=N][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1][=O][=N][Ring2][Ring1][Branch1],C1NC=NC(CNC(=O)NC2CC3CCCC(C2)C3=O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E580>,0.4208999999999996,0.7030458236180143,4.84762353892445,-1.3323944208343792
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][Br][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][F],C1OC=CC=CC1(C(=O)NCC2=CC(Br)=C3C(=C2)OCO3)F,<rdkit.Chem.rdchem.Mol object at 0x000002764008E5F0>,2.6024000000000003,0.8889996932574448,3.804472581952269,0.6405258843349548
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N],O=C(NC1CCCC1)NCC2CN(CC3=CC=CC=C3)CCO2,<rdkit.Chem.rdchem.Mol object at 0x000002764008E660>,2.129199999999999,0.8745943667492828,2.449920898191836,1.9230509355545777
[C][N][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][F][C][=C][Ring1][N][C][Ring2][Ring1][Ring2][=O],CN1CCN(C(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008E6D0>,1.1194,0.8279866252844215,2.501291544931215,1.6386415814908926
[C][C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][Branch1][C][F][F],CCOC1=CC(NC(=O)C=2C=C[NH1]N=2)=CC=C1OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002764008E740>,2.6621000000000006,0.8591200762480967,2.504741664760722,1.7908587164797618
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][Ring1][#C],CCS(=O)(=O)N1CCN2N=C(C3=CC=CC=C3)N=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E7B0>,1.1104,0.849614145916962,2.5449651881039888,1.7031055414808218
[C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][C][C][C][Ring1][Ring1][Ring1][=C][N][=C][Ring2][Ring1][Ring2],C1=CC=C1CCC(NS(C)(=O)=O)COCC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764008E820>,1.6071999999999997,0.6928958733925292,3.483340160961509,-0.0188607939988632
[O][=C][Branch2][Ring1][Ring1][C][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][=C][S][C][=Branch1][C][=O][NH1][Ring1][=Branch1],O=C(CCC1=NC=C(C2=CC=CC=C2)O1)NCC3=CSC(=O)[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002764008E890>,2.3404,0.7263928414587779,2.556978119701732,1.0749860875921575
[C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][=N][N][=Ring2][Ring1][Ring2],CC=1N=C(C)N(CC2CCN(C(=O)CC3CCCC3)C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E900>,2.32374,0.8548637406772365,2.9113359221207595,1.3629827812654227
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][#C],CC(=O)NC1=CC=C(C(=O)NCC=2C=COC=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E970>,2.168,0.8824041040419608,1.8549643281399018,2.5570561920699024
[N][C][C][=N][NH1][C][=Ring1][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][S],N1C=2C=N[NH1]C=2CC(C3=CC=C(Br)C=C3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008E9E0>,2.9240000000000013,0.8416639798139951,3.2052852614886405,1.0030346375813348
[C][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CC1=N[NH1]C=C1NC(=O)CSC2=CC=C(Br)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008EA50>,3.2114200000000013,0.8484475960380709,2.5517294531412364,1.6905085270491176
[C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Br][O][C][Ring1][=C][=O],C1C=NN(C2=CC=C(C#N)C=C2Br)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008EAC0>,2.04328,0.7788701784956739,3.0169133385841373,0.8774375538942318
[O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][O][N][C][=N][C][=C][S][Ring1][Branch1],O=C(COC(=O)C1=CC=CC(C=2C=COC=2)=C1)NC3=NC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002764008EB30>,3.1986000000000017,0.7274186196707996,2.223407740826877,1.4136853575271209
[C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][N][=O],CCOC(=O)C(CC)N1C=NC2=CC(OC)=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764008EBA0>,1.9193,0.7867465086976234,2.6418676462586888,1.2918648972294284
[C][C][C][=N][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1],CCC1=NOC(CC)=C1CC(=O)NC2=CC=CC=3C=N[NH1]C2=3,<rdkit.Chem.rdchem.Mol object at 0x000002764008EC10>,2.8569000000000004,0.7583092710481977,2.708973906637306,1.0825724486036825
[O][=C][Branch1][#Branch2][C][=C][C][=N][N][=C][Ring1][Branch1][O][N][C][C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C],O=C(C=C1C=NN=C1O)N2CCC(COC3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764008EC80>,2.1863,0.8658570146327912,2.784966409024351,1.5443186641396052
[C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1],CC1=CC(S(C)(=O)=O)=CC=C1NC(=O)C(C)C=2C=CSC=2,<rdkit.Chem.rdchem.Mol object at 0x000002764008ECF0>,3.2022200000000014,0.9395303974485184,2.653426043578248,2.044225943664344
[C][O][C][=C][C][Branch1][O][C][N][C][C][=C][S][C][=N][Ring1][Branch1][=C][C][=C][Ring1][=C][O][C][Branch1][C][F][F],COC1=CC(CNCC2=CSC=N2)=CC=C1OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002764008ED60>,3.0429000000000013,0.8533000845114415,2.2821068885088476,1.98439353404836
[C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(=O)N(CC1=CC=C(F)C=C1)CC(O)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002764008EDD0>,3.0469000000000017,0.9221219563052003,2.392452909821122,2.2181568717048794
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(C2=NOC(CN3N=NC(C4=CC=CC=C4)=N3)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008EE40>,2.447,0.5532833081425852,2.1043755605009657,0.6620409802119602
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2],CC1=NN(C)C(C)=C1CNC(=O)C2(C3=CC=C(F)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764008EEB0>,2.5240400000000003,0.9430326760913634,2.269297203340603,2.445866177116214
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][#N][C][=C][Ring2][Ring1][#Branch1],COC=C1C=C(C(=O)NC2=CC=CC=C2NC(=O)N(C)CCC)NC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764008EF20>,3.0299000000000005,0.6843926446353351,3.0356193735521746,0.3863438496245011
[C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1],CC1=CC(C(=O)NC(C)(C)C2=NC(C3=CC=CS3)=NO2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002764008EF90>,3.673040000000002,0.7885708356594834,2.707477513358448,1.2353766649389688
[C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)CN(CC(C)C)CC1=NN=CN1CC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640095040>,3.440400000000002,0.7486601958534475,2.3027920916780715,1.4405088875891656
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][P],NC(=O)C1=CC=C(NC(=O)CC2=CC=C(Cl)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400950B0>,2.6201000000000008,0.9075405755931731,1.5140314547320983,3.0236714232337674
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][C][O][Ring2][Ring1][Branch1],COC1=CC=CC(NC(=O)CNC(=O)C2=CC=CS2)C(C)CO1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095120>,1.6729999999999994,0.8575146746357311,3.801160681875614,0.4864126913030411
[C][O][C][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][=C][=O],COCCCNC(=O)C1NN=NC2=C([NH1]C3=CC=CC=C32)C1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640095190>,1.4738,0.5733083265127069,3.556133752984101,-0.6895921204205662
[C][=C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C],C=CCN1C(=O)[NH1]C2=CC(C(=O)OC3CCCC3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640095200>,2.615,0.6938207944564923,2.3806774665860146,1.0884265056964466
[O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],O=C(CN1N=NC(C2=CC=CS2)=N1)NCC3=CC=C4C(=C3)OCO4,<rdkit.Chem.rdchem.Mol object at 0x0000027640095270>,1.4467,0.7538183842092587,2.333077874412554,1.4360140466337397
[C][C][=N][NH1][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C],CC1=N[NH1]C=C1CNC(=O)N2CCC(C)CC2C,<rdkit.Chem.rdchem.Mol object at 0x00000276400952E0>,2.04812,0.8435419076984317,3.6674196248345243,0.5502899136576342
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][=C],CCOC(=O)C1CCN(C(=O)CC2=CC=C[NH1]2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095350>,1.3588999999999996,0.8351645220496428,2.3119694563450306,1.8638531539031833
[O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][N][C][C][C][S][Branch1][C][O][C][Ring1][=Branch1],O=C(N1C=CC=CC(C(=O)N2CCCC2)=C1N)C3CCS(O)C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400953C0>,1.1853000000000002,0.6606358391949322,4.774244942230645,-1.471065746255984
[C][C][=N][C][Branch2][Ring1][#C][C][=C][NH1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][=C][S][Ring2][Ring1][#Branch1],CC=NC(C=C1[NH1]C(C(=O)OCC(=O)NCC2=CC=CN=C2)=C1)=CS,<rdkit.Chem.rdchem.Mol object at 0x0000027640095430>,1.4738999999999993,0.3899713682466312,3.4566615658469724,-1.5068047246138163
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][C][Branch1][C][O][=O],COC1=CC=CC=C1C(CC(=O)N2CCC(C)CC2)NC(O)=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400954A0>,2.6525,0.8739824273022272,2.5625887573547317,1.8073233791564043
[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=N][N][Ring1][Branch1][C][=C][Ring1][#C],CC(C)COC1=CC=CC(C(=O)NC2=NC=NN2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095510>,2.1022,0.9061861458764804,2.270441894292537,2.2604888350898653
[C][O][C][C][N][C][Branch1][=N][S][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],COCCN1C(SC=2C(C)=NOC=2C)=NC3=CC=CC=C3C1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640095580>,2.798940000000001,0.6696461380060842,2.443552080666141,0.90467860936428
[C][O][C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],COCCN1C=NN=C1SC(C)C(=O)C2=C[NH1]C3=CC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x00000276400955F0>,2.7693000000000003,0.5325567040912903,2.8564309557813026,-0.19364743532485118
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1],O=C(NC1=CC=CN=C1N2CCCCCC2)C3=N[NH1]C4=C3CCCC4,<rdkit.Chem.rdchem.Mol object at 0x0000027640095660>,3.316200000000001,0.8995258917404649,2.388062670688077,2.1095667880142477
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400956D0>,2.413220000000001,0.8696565822133382,2.94255316908432,1.4057297419823707
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1],COC1=CC=CC(C(=O)N2CCN(CC3=CC=CC=N3)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095740>,2.0482,0.8667923418270004,1.7789937339382433,2.5549679751967584
[C][O][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#Branch2][C][C][Ring1][S][O][C],COCC(C(=O)N1CCC(C2=CC3=CC=CC=C3C=N2)CC1)OC,<rdkit.Chem.rdchem.Mol object at 0x00000276400957B0>,2.6022000000000007,0.8464686109619577,2.9341867110297795,1.2981563437800094
[C][C][C][=C][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][S],CCC1=CC(NCC(C)(C)O)=CC(C(F)(F)F)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095820>,2.845600000000001,0.8766365374391258,2.7075280282832406,1.6756546589123884
[C][N][C][=C][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][C],CN1C=CC(CCNC(=O)C2=CC(Cl)=CC(Cl)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095890>,2.6994,0.9430742747850731,2.17167448779157,2.5436968861337954
[C][N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][Ring2][Ring1][Ring1],CNC1=CC(N)=NC(N2CCC(C3=CC=CC=C3)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095900>,2.4845000000000006,0.905567911844973,2.2648824602808464,2.2629570989440184
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][Ring1][=N],CCN(CC)C(=O)C1=CC(=O)C2=CC=CC(OC)=C2O1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095970>,2.2836,0.8585650315070078,2.1693823688180096,2.1234427887170293
[C][C][Branch2][Ring1][Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][C][C][C][Ring1][Ring2],CC(NS(=O)(=O)C1=CC=C(C(C)C)C=C1)C2(C)CC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400959E0>,3.276900000000002,0.8999969573366444,2.684289245213108,1.815695541470114
[N][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],N#CC1=NN=CN1CCOC2=CC=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640095A50>,2.3819800000000004,0.725399753028964,2.327258689785179,1.299740075359641
[C][C][C][=C][C][=Branch1][C][=O][N][Branch1][P][N][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][C][Cl],CCC1=CC(=O)N(NCC=2C(C)=NN(C)C=2C)C(C)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640095AC0>,2.4665600000000003,0.9437612432582608,2.9389680709816215,1.7798381453096823
[C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(C(=O)CNC(CO)=NC1=CC=CC=C1O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640095B30>,2.0572,0.5598931879442115,2.6974990935827776,0.10196684613827989
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C],CC(=O)NC1=CC=C(OC(=O)CC2=C(F)C=CC=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095BA0>,3.071300000000001,0.6974400469340505,1.8987188174641823,1.5884814172060704
[C][C][=N][C][=N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][Ring1][=C][C][Branch1][C][C][=C][Ring2][Ring1][Ring1],CC1=NC2=NC(SCC3=CC=CC=C3Cl)=NN2C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095C10>,3.686840000000002,0.6922327393486828,2.2466753095614784,1.2144883871819356
[C][C][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][O][C][Ring2][Ring1][C][Ring1][=N],CCOCC(=O)N1C=C(C2=CC3=CC=C2C)C(NC(C)=O)=NOC13,<rdkit.Chem.rdchem.Mol object at 0x0000027640095C80>,1.69302,0.9150147966004774,4.748888142681177,-0.17381415967879033
[O][=C][Branch2][Ring1][C][N][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][O][C][C][C][C][Ring1][=Branch1],O=C(NCCCOC1=CC=C(Cl)C=C1Cl)C2OCCCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640095CF0>,3.447600000000002,0.8119413542259514,2.4565474605822963,1.6031593105474604
[C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],CC1=CC(O)=CC=C1NC(=O)C2=CC(F)=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640095D60>,3.2311200000000015,0.8171125860538502,1.815769653583688,2.2697932766855633
[O][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],OC(COC1=CC=CC(F)=C1)COC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640095DD0>,2.783500000000001,0.8839646116096398,2.260876356189339,2.15894670185886
[C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][O][Ring1][#Branch1],CCCCNC(=O)CN(C)C1=NC=NC2=C(Cl)C=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x0000027640095E40>,2.635700000000001,0.8335916224332618,2.3081004652822354,1.8598576468840733
[C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][C][Branch1][C][C][=N][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1],CC1=CC(C(=O)NCC2=CC=NC=C2)=C3C=CC(C)=NC3=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640095EB0>,2.5716400000000004,0.8053258501328465,2.1838420385054373,1.842787212158795
[O][=C][Branch2][Ring1][C][C][C][=C][NH1][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][O][Ring1][Branch2][N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F],O=C(CC=C1[NH1]C(=O)C(Cl)=CO1)CCC2=C(F)C=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640095F20>,2.9246000000000016,0.9043693425938831,3.369141768283857,1.152704944685559
[C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CNC(=O)CC1=CC=CC=C1NC(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640095F90>,2.2273999999999994,0.8929853781826677,1.594001625350952,2.870925265562386
[C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O],CN1N=C(C(C)(C)C)C=C1NC(=O)C2=CSC(C3=NC=CC=N3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002764009B040>,2.883400000000001,0.7908245357651684,2.576519600775322,1.37760307805052
[O][=C][Branch1][P][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][O][C][C][C][C][C][Ring1][Branch1],O=C(C1=CSC(C2=CC=CS2)=N1)NCCCOC3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002764009B0B0>,3.950700000000002,0.778961149313914,2.3101607536364615,1.5846449929331086
[C][O][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][#C],COC(=O)C1=CC=NC(NCC2=CC=CC=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009B120>,3.133700000000001,0.8718824192723943,1.8672797127552876,2.492132383606684
[C][C][=N][C][=C][C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][=C][Ring1][#Branch2][S][Branch1][C][N][=Branch1][C][=O][=O],CC1=NC=CC(OC2CC2)=C1S(N)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002764009B190>,0.57862,0.8198857315135654,2.6019961957269935,1.497432461840833
[C][C][Branch1][O][C][C][C][=C][C][=C][N][Ring1][Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(CCC1=CC=CN1N)C(=O)N(C)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002764009B200>,1.8286,0.8445100559231717,3.3462133718053018,0.8763369078105567
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][C][Ring1][O],CC1=CC=CC=C1CCC(=O)NC2CCC(N3C=NN=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002764009B270>,2.8192200000000014,0.923289338806644,2.397579956670734,2.218866737362486
[C][N][Branch1][P][C][=Branch1][C][=O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1],CN(C(=O)CCOCC(F)(F)F)C1=CC=C(Br)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764009B2E0>,2.775900000000001,0.7738155455231294,2.58474849103583,1.2843292365798167
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],CC(=O)NCCNC(=O)CN1C(=O)CSC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002764009B350>,0.3776000000000004,0.7708872875145217,2.1803919907059637,1.6740444468666449
[C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][C][C][=N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][=C][Ring2][Ring1][#Branch1],CC=CC=CC(NC(=O)C(C)NC(C)=NC1=CC(C)=NN1C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002764009B3C0>,1.5316199999999998,0.3729856777524414,3.8518894940172625,-1.9869611052550555
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][F],CN(C)C1=CC=CC(C(=O)NC2=CC=CC(OC(C)C)=C2)=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002764009B430>,3.931200000000003,0.9084635262449638,2.06971339934746,2.4726042318773587
[C][C][Branch1][C][C][O][C][C][=N][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][#C][C][Ring2][Ring1][Ring1],CC(C1)OCC2=NOC(C(=O)NCC3=CC=CN=C3)=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009B4A0>,1.8509,0.9318546813705021,3.305464724138414,1.3538086827140967
[O][=C][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2],O=C(CC1=CC=C2C(=C1)CCCC2)NC3=CC=C(F)C(Cl)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002764009B510>,4.539100000000004,0.8844357149457122,1.8821079725713723,2.540070602157188
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][C][N][C][=C][Branch1][C][N][C][=N][Ring1][=Branch1][C][=C][Ring1][=C],COC(=O)C1=CC=C(CCN2C=C(N)C=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009B580>,1.4946,0.8284758697473631,1.9971231182996085,2.145256230437207
[C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring2][Ring1][C][=O],CC1(C)C(=O)C2=CC=CC=C2N(CC=3C=CSC=3)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002764009B5F0>,3.5038000000000027,0.7918882078675795,2.360056180006822,1.5993848593310753
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][N][C][Branch1][C][C][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=C][Ring1][=N][Cl],COC(=O)C1=CC(NC(C)C(N)=O)=C(C)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002764009B660>,1.7207199999999994,0.8164783459340992,2.595365632754154,1.4870260969163418
[C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],CC1=CSC(=O)N1CCC(=O)OCC2=NC3=CC=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x000002764009B6D0>,2.4929200000000007,0.6757040649158853,2.4050728077362074,0.9734475168432191
[C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br],C=C(C)CN(CC)C(=O)NCC1=CC(F)=CC=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002764009B740>,3.695800000000003,0.8211195124275762,2.3358136494068713,1.7697839127310093
[C][N][C][C][N][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][S][=O][C][C][Ring2][Ring1][#Branch1][C],C1NCCN(C2=CC(C3=CC=CC=N3)=NC4=NC=NN4C2=O)C1C,<rdkit.Chem.rdchem.Mol object at 0x000002764009B7B0>,0.3445999999999998,0.727492881324335,3.315409940843443,0.32205446577823205
[N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1],NC(=O)C1CCN(C(=O)CC2=CC=CC3=CC=CC=C23)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002764009B820>,3.3881000000000023,0.7914687062126639,2.62609256038302,1.3312509706802995
[C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1],CC1=CC=C(C2=NOC(C3CCCN3C(=O)C4=CC=CO4)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009B890>,3.6153200000000023,0.7359162757687704,2.618675435348937,1.060905943494915
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][#C],CN(C)C(=O)C1=CC=C(CCCC2=CC=CC=C2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764009B900>,2.353700000000001,0.8367433975119694,2.0586979816262545,2.1250190059335923
[C][C][Branch1][P][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][C][C][C][N][Ring1][#C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],CC(C1OC(=O)C=2C=CN(C)N=2)CCCCN1C(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002764009B970>,2.9601000000000015,0.7757910030636,3.443470044252747,0.4354849710652533
[C][O][C][=C][C][Branch1][C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=N][O][C],COC=C1C(C)=C(NC(=O)C2CCC2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002764009B9E0>,2.2509000000000006,0.7773064795197119,3.1726870115492147,0.7138453860493446
[C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2][C][=C][Ring1][P][N],CC1=CC=C(C(=O)N2CCOCC(CO)C2)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002764009BA50>,0.65812,0.7693510360241048,2.629893088464197,1.2168620916563273
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],CC1=CC=C(O)C(C(=O)N(C)CCC2=CC=NC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009BAC0>,2.4103200000000005,0.927874071134603,2.007676509677152,2.631693845995863
[O][=C][Branch2][Ring1][Ring2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1],O=C(COC(=O)C1=CC2=CC=CC=C2[NH1]1)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002764009BB30>,2.2340999999999998,0.707425659675313,2.061441626417526,1.4756866719590391
[C][C][Branch1][Ring2][C][C][#N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2],CC(CC#N)N(C)C(=O)NC1=CC=C(C(N)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009BBA0>,1.5513799999999998,0.8585440564142618,2.6209094805072244,1.6718108015640842
[O][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],O=C(NC1=NC2=C(S1)CCCC2)C3=CC4=CC=CC=C4S3,<rdkit.Chem.rdchem.Mol object at 0x000002764009BC10>,4.488900000000002,0.757036194222544,2.2217877891666618,1.5633931819460583
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],COC1=CC=C(OC)C(CCNC(=O)C2=CC=C(C)S2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009BC80>,3.046220000000001,0.8920750317143606,1.9285985096107883,2.5317766489610154
[C][N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][C][=N][Ring2][Ring1][Ring1],CN1C=C(C(=O)NC2=CC=C(C=3C=C[NH1]N=3)C=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002764009BCF0>,2.0625,0.7623232744195213,2.4493966972482006,1.3622196748494058
[C][C][=C][Branch2][Ring1][Ring1][N][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][N][=O],C1C=C(NCC2=NC=CN2CC3=CC=CC=C3)C=CC=C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002764009BD60>,2.2765,0.8574071900713172,2.8818631336603477,1.405172816696238
[C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CCCCNC(=O)C=1SC=CC=1N2C(=O)[NH1]C3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002764009BDD0>,2.9102000000000006,0.7109497922384775,2.317327752791151,1.237421208401237
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(CNC=2C=NN(CC3CCCO3)C=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009BE40>,2.682800000000001,0.8871417152405175,2.5513186516492947,1.8843899245532931
[O][=S][=Branch1][C][=O][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][#Branch1],O=S(=O)(NCCC1=CC=CC=C1)N2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002764009BEB0>,1.9395,0.8969964715055999,1.8395885239440979,2.645393833583902
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],CC(C)(C)OC(=O)N1CCC2(CC1)CC3=CC=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002764009BF20>,3.442700000000002,0.7371635296372478,2.760038786239784,0.9257788619464549
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][P],COC(=O)C1=CC=C(C(=O)N(C)CC=2C=C(C)ON=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002764009BF90>,2.04182,0.804949336308569,1.992928501068775,2.03181818047407
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N],COC1=CC=CC=C1C=C2C(=O)[NH1]C(N3CCCCC3)=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640080040>,2.0077999999999996,0.8457014690829893,2.509500871377945,1.719006474037001
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=N][C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][=N][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(OCC2=NC(CSC3=NC=CC=N3)=NO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400800B0>,2.7395000000000005,0.48288473661943304,2.2190171485394448,0.1954065345577205
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1][O][C],CCOC1=CC=C(C(C)NC(=O)CC2=CC=CC=C2F)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640080120>,3.6529000000000025,0.8422586619568757,2.256493854243475,1.954799455540904
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(OCC(=O)NC2=CC=CC(N3C=NN=C3)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080190>,2.5932200000000005,0.7863475411212866,2.0799037224571855,1.8518339831492474
[C][C][=N][O][C][Branch2][Ring1][O][C][N][C][O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=Ring1][=C][C][=N][Ring2][Ring1][=Branch1],C1C=NOC1CNC=2OC(COC3=CC=C(F)C=C3)=NC=2C=N,<rdkit.Chem.rdchem.Mol object at 0x0000027640080200>,2.57697,0.76543145464866,3.8795670689218955,-0.05240979567859538
[O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],O=C(CNC(=O)C=1C=COC=1C)OC2=CC=C3C(=C2)OCO3,<rdkit.Chem.rdchem.Mol object at 0x0000027640080270>,1.65212,0.6824248760724028,2.256101379164779,1.156023001197235
[C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring2][Ring1][C],CC1=CC(C(N)=O)=C(NC(=O)C(C)C2=CC=CS2)S1,<rdkit.Chem.rdchem.Mol object at 0x00000276400802E0>,2.9591200000000013,0.909609325988756,2.915712369473461,1.6323342604703193
[C][C][S][C][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C],CC=1SC=2N=CN(C3=CC=C(C)C=C3)C(=O)C=2C=1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640080350>,3.372460000000002,0.6792197083932504,2.104771439896071,1.291327102070181
[C][#C][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][Ring1][N],C#CCNC(C1C(C)C)=NC2=CC=CC(Br)=C21,<rdkit.Chem.rdchem.Mol object at 0x00000276400803C0>,3.4551000000000025,0.8291584162772059,3.7779182615978844,0.36787381978814526
[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(NC(=O)C2=CC=C(N3CCCC3=O)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080430>,3.3741200000000022,0.9431626256340367,1.6503783022417018,3.065434825928482
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=N][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=N][N][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(OC2=NC=NC(NCC3CCCO3)=C2N)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400804A0>,2.4506000000000006,0.8453680628867997,2.6818685614592095,1.5449717529747886
[O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(NC=1C=NN(C2CCOCC2)C=1)C3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640080510>,3.1403000000000016,0.9475057045240406,2.156165184114389,2.581363338505814
[C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][O][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][C][C],CC1=CC=C(NC(=O)NC(C)C=2C=COC=2C)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640080580>,4.0875600000000025,0.8838775703330307,2.578444320856251,1.8409435308089028
[C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][N][C][C][N][C][C][C][C][Ring1][Branch1][=O][=N][Ring1][=N],C1C(C)(C)C=CSC1CCN2CCCC2=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400805F0>,3.0443000000000016,0.7542220538891459,3.7744638539599986,-0.003353584514269148
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][N][C][Ring1][#C][=O],NC1=CC=CC=C1C=2N=C3C=CC=CN3C=2NCCNC=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640080660>,1.7413999999999994,0.3672740708302823,2.5779399437252177,-0.7415695895738064
[C][C][C][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][S][C][Ring1][=Branch1][=O],CCCCCNC(=O)CNN=C(C1=CC=CC=C12)C=C(C)SC2=O,<rdkit.Chem.rdchem.Mol object at 0x00000276400806D0>,2.28162,0.5973540966537515,2.818304749691375,0.16846573357738226
[N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],NC1=NC(C2=CC=CO2)=NC=C1C(=O)NCCC=3C=NN(C)C=3,<rdkit.Chem.rdchem.Mol object at 0x0000027640080740>,1.0247999999999995,0.7273199329596011,2.5057922205262813,1.1308074442717242
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C],CC(=O)OCC(=O)C1=CC=C(S(=O)C2=CC=CC=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x00000276400807B0>,2.9075200000000017,0.6284182730569734,2.7856473612713106,0.35644400401355636
[C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)C=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640080820>,0.8986999999999996,0.889599636609437,2.651034755012006,1.7969634280351787
[C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][Branch2][C][Ring1][N][=C][Ring2][Ring1][Ring2][C],CC=NN(C)C(=O)C(C(=O)NCC1CCC(C)(C)CC1C)=CC,<rdkit.Chem.rdchem.Mol object at 0x0000027640080890>,2.9754000000000005,0.27811726112836244,4.284377273203582,-2.8937909675617695
[C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][S][Ring1][Branch1],COC(=O)CC(NC(=O)C1=CC=C2[NH1]C=NC2=C1)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x0000027640080900>,2.6586000000000007,0.7049142866275829,2.8116617250120743,0.7129097081258404
[O][=C][C][C][N][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][F][F][C][C][N][Ring2][Ring1][Ring2],O=C1CCN(CC2=NC3=CC=CC=C3N2C(F)F)CCN1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080970>,1.7532999999999999,0.9380921211883381,2.429969774278323,2.2604908316633674
[C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][Branch1][C][C][Ring1][#C],CC1CCN(S(=O)(=O)CC2C=CCC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x00000276400809E0>,2.0143,0.7111224787518337,3.1866700078061516,0.36894238595301676
[O][=C][NH1][C][=Branch1][O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][O][C][Ring1][=C],O=C[NH1]C=CC1=CC=CC=C1S,<rdkit.Chem.rdchem.Mol object at 0x0000027640080A50>,1.6919999999999997,0.5363372266454892,3.178390430186118,-0.49670429695867213
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N],CC(C)CC(=O)NC1=CC=C(C(=O)N2CCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080AC0>,2.9072000000000013,0.9174213401238317,1.6583677184683605,2.928738982150798
[C][C][C][C][=N][NH1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][=C][NH1][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][C],C1CCC=N[NH1]C1C(=O)N=C2[NH1]N=CC3=CC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x0000027640080B30>,1.1180999999999999,0.8134319034507058,3.917054589909232,0.15010492734429715
[O][=C][Branch1][P][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1],O=C(CN1C=NC2=C(Br)C=CC=C21)NC3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640080BA0>,2.8325000000000005,0.8028106121134803,2.191574150829103,1.8224789097382983
[C][O][C][=C][C][=C][Branch1][=C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P][O],COC1=CC=C(CNCCC2=CC=CC=C2F)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x0000027640080C10>,2.8722000000000016,0.796516794207039,1.8223538520715987,2.1602301189635966
[O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(C1=CC=CN=C1)N(CC2=CC=CO2)CC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640080C80>,4.170600000000003,0.7065828957875444,2.0311177293458194,1.501796749591903
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring1][P],COC(=O)C1=CC=C(C(=O)NCC2=CC=CC=C2F)C=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080CF0>,1.9373,0.8729416108133164,1.8396944678897977,2.525013586176785
[O][=C][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N],O=C(CCN1C=CC=N1)NC2CCCN(C3=NC=CC=N3)C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640080D60>,0.8483999999999992,0.8856462644706746,2.7779913985203173,1.6502399238330554
[O][=C][Branch1][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch2],O=C(CCOC1=CC=CC=C1)N2CC3CC=CCC3C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640080DD0>,2.8801000000000014,0.7880695847404491,2.961735316267946,0.9786126074342993
[N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][O][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N],NC(=O)COC(=O)COCCC1=CC(F)=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080E40>,0.4132999999999998,0.565202192380146,2.0273575798380694,0.7986533820626605
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][=C],CCN(CC)C(=O)CN1N=C(C2=CC=CC=C2)C(C(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080EB0>,2.9369000000000014,0.8239080785649001,2.4751682499988643,1.6443721428256364
[C][C][Branch1][C][C][C][O][C][Branch1][C][C][C][=N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][NH1][Ring1][=C],CC(C)COC(C)C1=NC=2C(C3=CC=CC=C3)=NOC=2[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x0000027640080F20>,3.951500000000002,0.7705205423913533,3.31953438365922,0.5330683282975466
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1],COCC1=CC=CC=C1CNC(=O)C(C)C2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x0000027640080F90>,3.314400000000002,0.8856919813859434,2.5989629958654525,1.8294969110642647
[O][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][S][C][=C][C][=Ring1][Branch1][O][C][Branch1][C][F][F],O=C(NC1=C(F)C=CC=C1F)C=2SC=CC=2OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x0000027640099040>,3.8800000000000017,0.8705848220777589,2.2991283828040263,2.0537957275847685
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=C],CCN(CC)C(=O)CNC1CN(C(=O)C2=CC=CC=C2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400990B0>,1.8728000000000002,0.8718096606441896,3.1524587092778074,1.206589593943141
[C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1][C],CC1=NC(N(C)C)=NC(NC(=O)NCC2=CC=CO2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640099120>,2.0741399999999994,0.8999649875289285,2.492153965259755,2.0076709723848873
[C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(NC(=O)C=1C=C(C2=CC=CN=C2)ON=1)=CC=CC=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640099190>,3.112400000000002,0.8549409449695998,3.01158208197063,1.2631226428773692
[C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=N][O][Ring2][Ring1][Ring1],CC1=CC(NC(=O)N2CCC3=CC(F)=CC=C3C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099200>,2.712320000000001,0.8701551735489554,2.2200372528813155,2.1307386148634615
[C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1CCCCC1NC(=O)NC2=CC=NN2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640099270>,3.5725000000000016,0.9097169716454139,2.8451763444909037,1.703408513736166
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2],COC(=O)C1=CC(N)=CC=C1NCC2=NOC(C(C)C)=N2,<rdkit.Chem.rdchem.Mol object at 0x00000276400992E0>,2.1739000000000006,0.6420751204241325,2.4066563525276603,0.8037192495930023
[C][C][C][N][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#C],CCCNC1=NN=C(SCC(=O)NCC(F)(F)F)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099350>,2.1306000000000003,0.7548149649159492,2.40993740506298,1.3641374195167666
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2],C1C=CC=CC1CNC(=O)CN(C)C2=NC=CC=C2C=C,<rdkit.Chem.rdchem.Mol object at 0x00000276400993C0>,2.409300000000001,0.8717496941302526,3.525193614428451,0.8335548562228121
[C][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1],CC1=CC=NN1C(C)C(=O)NCCC2=NC(C)=CS2,<rdkit.Chem.rdchem.Mol object at 0x0000027640099430>,1.8763399999999997,0.9080894083987525,2.9237032481158636,1.616743793877899
[C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],CCN1C(SCC(=O)NC2=NC(C)=CS2)=NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x00000276400994A0>,3.5519200000000017,0.7259398075958109,2.0792881923515907,1.550410845627464
[C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1],CC1=C(C(=O)OCC2=NN=C(C3=CC=CC=C3)O2)OC4=CC=CC=C14,<rdkit.Chem.rdchem.Mol object at 0x0000027640099510>,4.148220000000003,0.5217484481204118,2.109746494343133,0.4989957462589256
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(NC(=O)C(C)NC(=O)OC(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099580>,2.7409000000000017,0.8376691083035863,2.2189070647108906,1.9694384768070412
[C][C][Branch1][C][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],CC(C)CN(C1CC1)S(=O)(=O)C2=CC3=CC=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x00000276400995F0>,3.241900000000002,0.8500275243836808,2.4833048863005285,1.766832735617875
[C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][#C],CC(C)(C)C1=NN=C(SCC(=O)C2=CC=CC=N2)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099660>,3.2056000000000013,0.639758212998733,2.474617884017986,0.7241731809756788
[C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=N],CNC(=O)COC(=O)C1=CC=C(N)C(OC2CCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400996D0>,1.492999999999999,0.6336081605835947,2.123305941162288,1.0447348617556855
[O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][N][C][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N],O=C(C1=CC=C2C(=C1)CCO2)N3CCC(N4CCOCC4)CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640099740>,1.5583,0.83028111767489,2.205209682476097,1.9461959058983531
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][O][C],COC(=O)CCC(=O)C1=CC(C(C)C)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x00000276400997B0>,2.9545000000000012,0.5852511148794443,1.9217946448819845,1.0044609295152367
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][C][C][N][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C],CCOC1=CC=CC=C1C(=O)CC(C)N2N=C(N)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640099820>,3.0064200000000003,0.8290665584837029,2.8617278584602825,1.283604933958232
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][N][C][=N][C][=C][Branch1][=N][N][=C][N][C][=C][C][=C][Ring1][Branch1][Ring1][=Branch2][C][Ring1][=N][=O],CCC1N(CCC)C(=O)CNC=NC2=C1N=CN3C=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x0000027640099890>,2.287,0.9455593565787122,4.3985976308936054,0.32919915199995575
[C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2],CN(CC1=CC=C2C(=C1)OCO2)C(=O)C=3C=CC4=NC=CN4C=3,<rdkit.Chem.rdchem.Mol object at 0x0000027640099900>,2.3352000000000004,0.7449599217659374,2.3678458579336503,1.3569537508960368
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring2][C],C1C=CC=CC1(N(CC(=O)NCC(=O)NC)C2CC2C=C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640099970>,0.9999,0.68986432200558,4.436654341396219,-0.9873327313683187
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][P][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring1][S][C],CC(=O)C1=C(C)[NH1]C(C(=O)OCC2=CC(C)=NO2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x00000276400999E0>,2.48756,0.6845856410317377,2.4198491287247705,1.003079076433918
[C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2],COCC(=O)NC1=CC=CC=C1C(=O)N2CC(C)CC(C)C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640099A50>,2.3896000000000006,0.9289240603924056,2.663226178980185,1.9813941229818433
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][N],CS(=O)(=O)C1=NOC(C(=O)NCC2=CC=CC=C2)=C1N,<rdkit.Chem.rdchem.Mol object at 0x0000027640099AC0>,0.5902999999999999,0.8525955334608876,2.45862348769913,1.8043541796053075
[C][C][C][Branch1][Ring1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC(CC)C(NC(=O)NC(CO)COC)CC1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099B30>,2.3404,0.619070072309021,3.077740116047213,0.017610245497891697
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2],C1C(=O)NC=CC=C(Cl)C1NC(=O)C2=CC=C3C=CC=CC3=C2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640099BA0>,3.4029200000000017,0.879873909911898,3.1913677753618668,1.2080017741976228
[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C],CC1=CC=C(N)C=C1NC(=O)C(C)SC2=NC=CN2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640099C10>,2.4300200000000007,0.6697980866672701,2.577741943233873,0.7712484901024776
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][=N],CNS(=O)(=O)C1=CC=C(C)C(C(=O)NC2CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099C80>,0.7953199999999996,0.847651096007306,1.8872308106072975,2.3510246694292327
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC1=NN(C)C(C)=C1CC(C)NC(=O)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640099CF0>,2.9287400000000003,0.9121487256934859,2.5267502742599603,2.0339933542074693
[C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1],CN(CC1=C(F)C=CC=C1Cl)C(=O)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640099D60>,3.146300000000002,0.8640465101161705,1.9664300755999875,2.3538024749808653
[C][N][N][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1],CN1N=C2C=C(OCC(O)COC3=CC=CC(Cl)=C3)N=CN2C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099DD0>,1.4980000000000002,0.8521746089379411,3.8360568299071787,0.42481621478252674
[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][NH1][N][=C][C][=Ring1][Branch1][Cl],O=C(NCCC1=CC=C(O)C=C1)C=2[NH1]N=CC=2Cl,<rdkit.Chem.rdchem.Mol object at 0x0000027640099E40>,1.7411999999999996,0.7879401825869586,2.152113163548476,1.7875877493863173
[O][=S][=Branch1][C][=O][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],O=S(=O)(C1=C[NH1]C2=NC=CC=C12)N3CCC4=CC=CC=C43,<rdkit.Chem.rdchem.Mol object at 0x0000027640099EB0>,2.3143000000000002,0.7894136247788466,2.283735928124477,1.663332195769756
[O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][N][C][C][C][C][C][O][Ring1][Branch1],O=C(NCC1=CC=C(N2CCCC2=O)C=C1)NCC3CCCO3,<rdkit.Chem.rdchem.Mol object at 0x0000027640099F20>,1.7915999999999999,0.8696449968481187,2.5277092043983593,1.8205157798422338
[C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],COCCOCCNC(=O)C1=CC=C(F)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640099F90>,1.3575999999999997,0.7520138794181672,1.846476964453453,1.9135924326373832
[C][C][C][N][=C][N][=C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][C][=Ring1][=C][S][Ring1][P],CCCN=CN=CC=1C(=O)N(C2=CC=CC=C2Cl)C=NC=1S,<rdkit.Chem.rdchem.Mol object at 0x0000027640097040>,3.031800000000002,0.39524523578098036,3.4848896102884934,-1.5086634313835916
[N][#C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1],N#CC1=CC=C(N2CCC(C3=NC(C4=CC=CC=N4)=CS3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400970B0>,4.460780000000003,0.702406060601522,2.299364957590363,1.2126653454172467
[C][C][N][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC=1N=COC=1C(=O)NCCC(O)(C2CCOCC2)CCC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640097120>,2.8934200000000017,0.7442545804138924,3.318056843408268,0.4032160586611937
[C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][=N][N][C][C][O][C][C][Ring1][=Branch1],C=C1C(OCC2=CC=CC=C2)=CN=C1N3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640097190>,2.3451000000000004,0.8451746089366372,2.662816708038113,1.5630563366450732
[C][C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring2][Ring1][C][C],CCC1=NN=C(SCC(=O)NC2=CC=C(Cl)C=C2Cl)N1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640097200>,3.4151000000000016,0.8439274815867898,2.052423991784954,2.1672134161489947
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Branch2][O][Ring2][Ring1][Branch2],CC1=C2C(=O)OC=CC(OCC(=O)NCCC3=CC=NC=C3)=CC=C1O2,<rdkit.Chem.rdchem.Mol object at 0x0000027640097270>,2.31102,0.7304391176793485,3.6824746053794746,-0.030279016982731832
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][C][=C][Ring1][S],CC(=O)NC1=CC=C(OCC(=O)NC(C)C(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400972E0>,2.184499999999999,0.8378218500522515,2.1936470714390026,1.9954621788222546
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C],COC1=CC=CC=C1C(NC(=O)C2=CSC(C)=N2)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640097350>,3.587220000000002,0.9181550184035466,2.6091310414841544,1.9816440505335784
[C][N][C][Branch1][=N][C][Branch1][C][N][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][#C],CN1C(C(N)C(F)(F)F)=NC2=CC=CN=C21,<rdkit.Chem.rdchem.Mol object at 0x00000276400973C0>,1.5303999999999995,0.807774859106375,3.1492182725646494,0.8896560229672259
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring1][S],CN(C)C(=O)C1=CC=C(CCCC2=CC=C(Cl)C=C2Cl)O1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097430>,4.463500000000003,0.8124793045920499,2.2103417636682448,1.8520547592920042
[N][C][=N][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],NC1=NC(C2CCCO2)=NC=C1C(=O)NC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x00000276400974A0>,2.3017000000000003,0.9076237002906876,2.7440066478863354,1.7941118535671023
[C][#C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=N][Ring1][Branch2][=C][C][=C][Ring1][P][Ring2][Ring1][=Branch1],C#CCN1C(=O)CCC2=CC(NC(=O)C3=CC(OC)=CC=N3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640097510>,2.2549,0.8701478415437077,2.4073158082243147,1.9434233994942236
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=C][=N][Ring2][Ring1][Branch1],CC1=CC=CC(OC2CCN(C(=O)C=3C=COC=3C)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097580>,2.9750400000000017,0.8741754000422559,2.367059620923019,2.003817379288261
[C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][=N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(OCC(=O)N2CCOC(CN3N=C(C)C=C3C)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400975F0>,2.1147599999999995,0.834356854664337,2.6797540904112758,1.4920301829104092
[C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F],CN(CC1=CC=CC(F)=C1)C(=O)CSC2=C(F)C=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x0000027640097660>,3.854600000000003,0.778303772126991,2.1675271402889003,1.7239917203460546
[C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][N][C][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][N][=Ring1][N],COC(=O)NCC(=O)NC=1N=CN(C2C(C)CCCC2)N=1,<rdkit.Chem.rdchem.Mol object at 0x00000276400976D0>,1.3237999999999992,0.8727087021163494,3.315836544176994,1.0477069664047534
[C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2],C1CN=C(C)N1C2=CC=CC=C2NC(=O)NC(C)CC3=CC=CC=C3N,<rdkit.Chem.rdchem.Mol object at 0x0000027640097740>,3.259900000000001,0.723180878483266,2.9384753878258465,0.6774290045904832
[C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][=N][Ring2][Ring1][C],COC1=C(F)C=C(NC(=O)C2=CC=C(F)C=C2Cl)C=N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400977B0>,3.2741000000000016,0.9458910585153361,2.0313085226641654,2.6981467699125146
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][#N][=C][Ring1][P],COC(=O)C1=CC=C(NCC2=CC=NN2CCCC)N=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097820>,2.4769000000000005,0.7926230381578773,2.32341438966294,1.6397008011264464
[C][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch1][=N][C][=C][C][Branch1][C][C][=N][N][=C][Ring1][#Branch1][C][C][Ring1][#C],COCCCN1C(=O)C2CCC1CN(C3=CC(C)=NN=C3C)C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640097890>,1.55714,0.7711942499901028,4.197882419179763,-0.3419111692292489
[C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1],CC1=C(C(=O)NCC2=CC=CC=N2)OC3=CC=C(Cl)C=C13,<rdkit.Chem.rdchem.Mol object at 0x0000027640097900>,3.7196200000000026,0.8017963257310271,2.0378928512014003,1.9710887774537351
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][Ring2][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][N],CCOC(=O)C1N(CCO)C2=CC=CC(Cl)=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640097970>,1.7565,0.8332582880189264,2.989494693676445,1.1767967464181872
[C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][C][O][Ring2][Ring1][=Branch1],CCCC1N(C(=O)CC=NN(CC(N)=O)C2=CC=CC=C2)CCCO1,<rdkit.Chem.rdchem.Mol object at 0x00000276400979E0>,1.7292999999999996,0.5734063782505124,3.603222346099251,-0.7361904548466889
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=N][N][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][S],CC(C)C1=CC=CC(NCCSC2=NN=NN2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097A50>,2.5377,0.6493281850779834,2.2636899691655437,0.9829509562243732
[O][=C][Branch2][Ring1][Branch1][N][C][C][#C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(NCC#CCOCCC1=CC=CC=C1C=O)C2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640097AC0>,1.8866,0.48006580054529857,2.5818782984955124,-0.18154929576901946
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][=N][Ring2][Ring1][C],CNS(=O)(=O)C=C(NC(=O)CC1=CC=C(F)C=C1C)C(C)=N,<rdkit.Chem.rdchem.Mol object at 0x0000027640097B30>,1.2230899999999998,0.6851149192267441,2.994782508380391,0.43079208775332933
[C][#C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][=C][S][C][=Ring1][Branch1],C#CCN(CC1=CC=C(F)C=C1)C(=O)CCC=2C=CSC=2,<rdkit.Chem.rdchem.Mol object at 0x0000027640097BA0>,3.4818000000000024,0.7480648363059004,2.342674389662939,1.397649791866563
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C],COCC1=CC=CC=C1NC(=O)NCCC=2N=C(C)SC=2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640097C10>,3.2705400000000022,0.8587155532949471,2.2995181462686425,1.9940596202060927
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=O],CC1=CC=CC=C1CNC(=O)C2=CN3C(=N2)CN(CC4CC4)C3=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640097C80>,2.31522,0.9175897663592171,2.6490599533112853,1.9388888784848
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][C][O][Ring1][=C],CS(=O)(=O)NCC1CN(C(=O)NC=2C=N[NH1]C=2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097CF0>,-0.8083999999999987,0.6725415989716154,3.1234139212558514,0.23929407360222532
[C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N],CCNC(=O)N1CCC(OC2=CC=CC=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097D60>,1.6543000000000003,0.8859218039266316,2.1503680887138064,2.279240930919351
[C][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1],C#CCNC(=O)C(C)CNS(=O)(=O)C1=CC=C(C)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097DD0>,0.7203200000000001,0.7602303156209701,3.110170113991387,0.6909814641134635
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][Ring1][P],COC1=CC2=C(C=C1OC)C(C3=CC=C(Cl)C=C3)NCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640097E40>,3.5923000000000016,0.9397002817606592,2.483475922120757,2.2150254866825394
[C][O][C][=C][C][=C][Branch1][#C][C][=C][C][Branch1][Ring1][C][#N][=N][N][Ring1][#Branch1][C][C][#N][C][Branch1][C][C][=C][Ring1][P],COC1=CC=C(C2=CC(C#N)=NN2CC#N)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640097EB0>,2.2623800000000003,0.8392643137286617,2.754375503756739,1.4419460648865696
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][Ring1],COC=CC=C(C(O)C(C)NC(=O)C=1C=COC=1)C=C,<rdkit.Chem.rdchem.Mol object at 0x0000027640097F20>,2.0313,0.5906677770939548,4.209755854373908,-1.256416968904134
[N][#C][C][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Branch1][Ring1][S][C][N][Ring1][O][N][=Ring1][#C],N#CCC=NC=CC(C(F)(F)F)=CC=C(SC)NN,<rdkit.Chem.rdchem.Mol object at 0x0000027640097F90>,2.6409800000000003,0.34118538342058724,4.563524056646689,-2.857597139543753
[C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(NC(=O)C2=CC3=CC=CC=C3OC2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084040>,3.353720000000002,0.7316877917154345,1.6870405435090916,1.971398415068081
[C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][N][=Ring2][Ring1][C],CC1=NN=C(SCC(=O)NC2=CC=CC=C2OO)N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400840B0>,1.69572,0.4376404383421093,2.758466892242467,-0.5702647005319204
[N][#C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],N#CC(C(=O)NCC1=CC=CS1)C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640084120>,3.084380000000002,0.9061979307873206,2.995541573834352,1.5354480801022508
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring1][P],CCOC(=O)NC1=CC=CC(CNC(=O)C2=CC=CC(C)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084190>,2.888420000000001,0.8891758065814809,1.907175512618803,2.5387035202886015
[C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][Ring1][P],CNC(=O)CC1CCN(C(=O)NC2=NN=C(C(F)(F)F)S2)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084200>,1.5468,0.8759340549867083,3.046440274259962,1.3332300006735798
[N][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Ring1],NC1=NC(N)=NC(CNS(=O)(=O)C2=CC=CC=C2Cl)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084270>,0.16790000000000022,0.7309183836206433,2.283381529657172,1.3712103884460447
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(S(=O)(=O)CCNC2=NC=NC3=C2C=NN3C)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400842E0>,1.55752,0.7628979307840731,2.3936335007844853,1.42085615313588
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][S][Ring2][Ring1][C],CC1=CC=C(CC(=O)NC2=CC=CC(C(N)=O)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084350>,2.33662,0.8978102952157085,1.9058283339454167,2.583223142133126
[C][C][C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1],CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)C2=N[NH1]C(=O)[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x00000276400843C0>,1.1254,0.6949090999547768,3.2106645144152424,0.2638809853586417
[C][C][C][=N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][Ring1][#Branch1][C][=C][S][Ring1][S],CCC1=NC(CC(=O)N2CC(C)OCC2C)=CS1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084430>,1.8837999999999997,0.8403982529631477,3.2902725479114476,0.9117187169042911
[O][=C][Branch1][=C][N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][NH1][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][O][Ring1][Branch1],O=C(NCCOCC1=CC=CC=C1)C2=C[NH1]C(=O)C=C3C=NN=C23,<rdkit.Chem.rdchem.Mol object at 0x00000276400844A0>,1.2163,0.6645014670612882,2.497426650143865,0.8250806851625763
[C][C][Branch1][C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C],CC(C)CN1N=CC=C1NC(=O)C2=CN=C(C3=CC=CC=C3)N=C2C,<rdkit.Chem.rdchem.Mol object at 0x0000027640084510>,3.556820000000002,0.7736249398974304,2.276537910066134,1.5915867894210183
[C][N][C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][C][Ring2][Ring1][C][=O],CN1CC(NS(=O)(=O)CC2=CC=CC=C2F)CCC1=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640084580>,0.8658999999999999,0.8968747700292636,2.782075929247858,1.7022979208984603
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][Ring1][N],COC(=O)C1=CC=CC2=C1C(C3=CC=CN=C3)NCC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400845F0>,2.1033,0.847475124590604,2.8501220493346704,1.3872535736183496
[C][C][C][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C][C][C][Ring2][Ring1][=Branch1],CCCN1CCN(C(=O)C=2C=C(C(C)C)N(C3=CC=CC=C3)N=2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084660>,3.1635000000000018,0.8394241589929605,2.201616566620846,1.9955042283439566
[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CCOC(=O)CNC(=O)C1=CC=C(F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400846D0>,1.1186,0.7810306300930042,1.5196949788448375,2.3854581716201837
[O][=C][Branch1][=C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2],O=C(CN1C=CC(=O)[NH1]C1=O)NCCC2=CN3C=CC=CC3=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640084740>,-0.456799999999999,0.6654887959321182,2.464920891854952,0.8625230878056391
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C],CCCC(=O)NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x00000276400847B0>,3.677500000000002,0.8785466740773563,1.4698705435090922,2.9228628268776893
[N][#C][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S],N#CCOC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084820>,3.4946800000000016,0.935530840791603,1.7581514229218023,2.919502781036213
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][Ring1][S],CC=C1C=C(C)C(S(=O)(=O)N2CCCC(O)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084890>,1.5630000000000002,0.8274405770003085,3.6125982457338797,0.5246046392676629
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][C][C][Ring1][N],CCCCN(C)C(=O)N1CCN(C2=NC(C)=NS2)CC1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084900>,1.8204200000000001,0.8504674256577777,2.527216344841987,1.7251207834469016
[C][C][S][C][=C][C][=C][C][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][N][Ring1][P][Ring1][=C],CCSC1=CC=C2CC(COC3=CC=CC(N)=C3)=NN12,<rdkit.Chem.rdchem.Mol object at 0x0000027640084970>,3.0215000000000005,0.6790985901351481,3.238512877619554,0.15698007305618633
[C][N][C][Branch1][P][S][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][O][Ring1][Branch1],CN1C(SCCCOC(=O)C2=CC=CS2)=NN=C1C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x00000276400849E0>,3.475800000000002,0.36943370189517366,2.4270350657407675,-0.5798665562648992
[C][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Ring1][N],CNC(=O)CC1NC=NC2=C(Cl)C=C(Cl)C=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640084A50>,2.4336,0.8683227639107307,3.698965724773009,0.642648094780645
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2],CC1=CC=C(F)C=C1NC(=O)CSC2=NC3=CC(N)=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x0000027640084AC0>,3.5883200000000004,0.5638984647292278,2.142800838062591,0.6766914855835475
[C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][O][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(=O)N(CCC1=NN=C(CC2CC2)O1)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x0000027640084B30>,2.756800000000001,0.8230565776040623,2.447511198377825,1.6677716896424863
[N][#C][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],N#CC(CC(=O)NCC1=CC=CC=N1)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x0000027640084BA0>,3.048680000000002,0.9225132309064801,2.6333559221207583,1.979210232411642
[C][#C][C][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][N][C][C][Ring2][Ring1][Branch1],C#CCN1CCN(C(=O)NC2=CC=C(OC)C(OC(F)F)=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084C10>,2.3452200000000003,0.8369482424627784,2.7911111256683405,1.393630086645552
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2],CCOC1=CC=C(C(=O)N(C)CC2=CC=C(OC)C(O)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084C80>,3.0717000000000017,0.8897931653251345,1.8150020325892182,2.633963794036454
[C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=N][C][=N][Ring1][Branch1],CC(C(=O)OCC(=O)NC1=CC=C(F)C(Cl)=C1)N2C=NC=N2,<rdkit.Chem.rdchem.Mol object at 0x0000027640084CF0>,1.8135,0.8468607831748682,2.6763285718639978,1.5579753440103437
[C][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][Ring1][=Branch1][=Branch1][C][=O][=O],CC(CC1=CC=CC=C1F)NC(=O)C(C)CS(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x0000027640084D60>,1.1204,0.770759986763311,3.524057558656719,0.32974237515983607
[C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C2C=C(C(=O)NC3=NN=C(C4CC4)S3)C(=O)[NH1]C2=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084DD0>,2.8177200000000004,0.7744963754321237,2.300578826228273,1.5719030509323453
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][C][C],COC(=O)C1=C(C)[NH1]C(C(=O)OCC(=O)OC2CCCC2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640084E40>,2.06074,0.658154769692659,2.320862849896912,0.969910998566383
[C][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][Ring1][=Branch2][=O][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1],C1C=CC(N2CCC3(CC2)NC(=O)C(C)C3=O)N=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640084EB0>,1.6252000000000002,0.5910088715064192,5.413716603165649,-2.4586722456335526
[O][=C][Branch1][=Branch2][N][C][C][=C][NH1][N][=Ring1][Branch1][C][S][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Ring1],O=C(NC=1C=C[NH1]N=1)C=2SC=CC=2C3CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640084F20>,2.600900000000001,0.8556949312894937,2.9445628566192354,1.3339117998282326
[N][#C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1],N#CCCN(CC1=CC=CC=N1)C(=O)NC2=CC=CC=3C=N[NH1]C2=3,<rdkit.Chem.rdchem.Mol object at 0x0000027640084F90>,2.9056800000000003,0.754910726595497,2.511798957836172,1.2627546751413128
[C][C][C][S][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][C][=Ring2][Ring1][Branch1][C],CCC=1SC(C(=O)NCCC2=NC(C3=CC=CN=C3)=NO2)=CC=1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640069040>,3.0364200000000015,0.7445160860329249,2.413411399307744,1.30916903085688
[C][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][N][=C][C][C][Ring2][Ring1][Ring1][Ring1][=Branch1][O][=C][Ring2][Ring1][Branch2],C1C=CC2=C1C3=NC=CN3C(CCN4C=CC=N4)N=CCC2,<rdkit.Chem.rdchem.Mol object at 0x00000276400690B0>,3.2466000000000017,0.8718586768224088,4.592827401123377,-0.23353401701133247
[N][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1],N1C=CC(C2=CC=CC=C2Br)=NC3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x0000027640069120>,4.509100000000002,0.8229119732049651,2.7167025087205072,1.3978573573043187
[C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S],CCCNC(=O)NC1=CC=CC(NC(=O)NC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069190>,3.8621000000000016,0.6758321968378047,1.646411800945863,1.7327491832431603
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][Ring1][Ring1],CCN(CC)C(=O)CSC1=NN=C(C2CC2)N1C3CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640069200>,2.4509000000000007,0.7248697782697526,2.3775378932935354,1.2468109980552278
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][C][C][C][C][C][Ring1][Branch1],COCCN1C(=O)C2=CC=CC=C2NC1C3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640069270>,2.7170000000000005,0.9175751713079587,2.8685087867352,1.7193670698045942
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=N][Ring2][Ring1][C],CCOC1=CC=C(SCC(=O)NC2=CC=C(F)C=C2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x00000276400692E0>,2.7452000000000005,0.8313856904336453,2.021787466586016,2.1351409855822103
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][C],CC1=CC=C(C(=O)NC(C)C(=O)NC2=CC=C3C(=C2)CCC3)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640069350>,3.549140000000002,0.8969176974669831,2.319668812590507,2.164919674744409
[C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],CN(CC1CCCCC1)C(=O)C2=CC3=CC=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x00000276400693C0>,4.085100000000003,0.8422541671380834,2.0592120818635866,2.1520587538268305
[C][C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1],CCCC=1N=NSC=1C(=O)NCCCCN2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640069430>,1.3328,0.7336543709657066,2.366165940734817,1.3021059140937163
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2],CNC(=O)C=CC=C(NC(=O)NCCC1=CC=C(F)C=C1C)C,<rdkit.Chem.rdchem.Mol object at 0x00000276400694A0>,2.18182,0.5554772157889744,2.7770562564903187,0.0003298224545531525
[C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch1][C],CC1C=C(C(=O)NC2=CC=C(C(N)=O)C=C2)N(C3=CC=CC=C3)N1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640069510>,2.3634000000000004,0.8983031708000775,2.9710769444586376,1.5204389095417499
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1],COCCN(CC1=CC=CC=C1)C(=O)NC2=NN=CS2,<rdkit.Chem.rdchem.Mol object at 0x0000027640069580>,2.2186000000000003,0.8861699832484318,2.187644707858281,2.243205208383878
[C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring2][C][Branch1][C][C][C],CC1=CC(OCC(=O)NC2=CC=CC(C(N)=O)=C2)=CC=C1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x00000276400695F0>,3.234820000000002,0.8548076724282704,1.8585202165774302,2.4155181455639214
[F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br],FC1=CC=C2C(=C1)N=NN2CC3=CC=C(F)C=C3Br,<rdkit.Chem.rdchem.Mol object at 0x0000027640069660>,3.5203000000000007,0.7220592423853556,2.1558822768578505,1.4544139350689274
[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC(=O)N1CCCC1C(=O)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400696D0>,2.5336000000000007,0.7578165472483998,2.337653122481683,1.4514296137603155
[C][C][=N][C][Branch1][O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1],CC1=NC(NCCC2=CC=CS2)=CC=C1NC(=O)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640069740>,3.454620000000002,0.8589112157118722,2.2276266973552463,2.0669293812041145
[C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N],CN1C=CC=C1CN2CCOC(C3=CC=C(F)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x00000276400697B0>,2.737700000000001,0.8560003122245156,2.6827268238704782,1.5972747372521
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C],CCC1=CC=CC=C1NCC2=CC=CC(OC)=C2OC,<rdkit.Chem.rdchem.Mol object at 0x0000027640069820>,3.878300000000002,0.8645786427975778,1.7663109370918413,2.556582276896048
[C][N][Branch1][#Branch2][C][C][N][C][=N][N][=C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch2][Branch1][C][C][C],CN(CCN1C=NN=C1)C(=O)C2C3C=CCC2C(=O)OC3(C)C,<rdkit.Chem.rdchem.Mol object at 0x0000027640069890>,0.8803999999999994,0.6082380956876379,5.046761402116699,-2.0055709236785098
[C][C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1],CCC=C(N1CCOCC1)N2N=CN=C2C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x0000027640069900>,2.0787000000000004,0.8540287673013703,3.097409928377097,1.1727339081297545
[C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1],CCCCCNC(=O)C(C)S(=O)C1=CC=C(C)C=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069970>,2.19252,0.7799099866981307,3.3427396157399087,0.5568103177507449
[C][C][=N][O][C][Branch2][Ring1][Ring2][C][C][C][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][N][=N][Ring2][Ring1][C],C1C=NOC1C2CCCN(CC3=NC=CS3)C2=N,<rdkit.Chem.rdchem.Mol object at 0x00000276400699E0>,2.10707,0.9091369791772508,4.357407119754699,0.18827777613155483
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][Ring2][Ring1][Ring1],C1C=CC=C(C(=O)NCCC(=O)NS(C)(=O)=O)N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069A50>,-1.3881999999999983,0.5719946320682154,2.946257184233673,-0.08628402389259548
[C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][O][C][C][C][C][C][Ring1][Branch1],COC1=CC(C(=O)N(C)CC2=CC=CN=C2)=CC=C1OC3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x0000027640069AC0>,3.6838000000000024,0.8047474398111597,2.0659550823304897,1.9577821167253084
[C][N][C][=C][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring2][Ring1][C][C][Branch1][C][C][=N][Ring2][Ring1][Branch2],CN1C=C(C2=NC(C(=O)N3CCCC3C4=CC=CC=N4)=NO2)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069B30>,2.1508200000000004,0.7267064767926527,3.176140845557539,0.45739153840572433
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],CCOC(=O)C(C)NC1=NS(=O)(=O)C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x0000027640069BA0>,0.6766999999999996,0.8238989593745898,2.783095505568136,1.3363992913048133
[C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1],CC1(NC(=O)C2=CC=CC(N3C=NN=N3)=C2)CC4=CC=CC=C4C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069C10>,1.9496,0.8006802702831308,2.537008847946062,1.4663925034695922
[C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1],CC(NC(=O)C1=CC=C(Cl)C(N)=C1)C2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x0000027640069C80>,3.4747000000000012,0.8459757771766246,2.4121754199881966,1.817703465894927
[C][=C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][=N][C][=N][C][Branch1][Ring1][S][C][=N][N][Ring1][#Branch1][C][=Ring1][N][C],C=CCC(=O)NC(C)C=1C(C)=NC2=NC(SC)=NN2C=1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640069CF0>,2.2163399999999998,0.6771448894779182,3.3896454767766295,-0.003921029387038644
[C][C][S][C][N][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH1][C][=Branch1][C][=O][C][=Ring1][S][C][=Ring2][Ring1][Ring1][C],CC=1SC=2N=C(COC3=CC=CC=C3C)[NH1]C(=O)C=2C=1C,<rdkit.Chem.rdchem.Mol object at 0x0000027640069D60>,3.4888600000000016,0.8052913929304268,2.1543917299497704,1.8720652347023634
[O][=C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][Ring1][S],O=C1CCN(C(=O)C2=CC=C(F)C=C2)CCN1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069DD0>,0.7878000000000001,0.7832779548921356,1.8461569664559416,2.0702328080047363
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring1][=N],CCS(=O)(=O)N1CCCC(NC(=O)C2CCC2)C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069E40>,0.7167999999999994,0.8210726121871594,2.6112754827825455,1.4940875781532519
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1],CCNC(=O)C1=CC=CC(CNC(=O)NC2=CC(C)=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x0000027640069EB0>,3.2055200000000017,0.7881799807446477,1.8310220117971365,2.109877891926102
[N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][#C],NC(=O)C1=NC2=C(S1)CCN(C(=O)C3=CC=CS3)CC2,<rdkit.Chem.rdchem.Mol object at 0x0000027640069F20>,1.5445000000000004,0.9141506860535595,2.4801238925574296,2.0906295377103685
[O][=C][Branch1][P][C][O][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1],O=C(COC1=NN=CC2=CC=CC=C12)NC3=CC=C4C(=C3)COC4,<rdkit.Chem.rdchem.Mol object at 0x0000027640069F90>,2.677500000000001,0.7995691457610163,2.392062489797169,1.6057832390079128
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1],CCOC1=CC=CC=C1C(=O)NCC2=NN=C3N2CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1040>,2.3332000000000006,0.9194348257576351,2.1014127924916295,2.495761336296546
[C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],CN(CCC(F)(F)F)C(=O)CNC1=CC=C(F)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A10B0>,2.7875000000000005,0.8474435203183671,2.2978827039545724,1.9393348976372629
[C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][O],CC(=O)NCC1(CO)OC2=CC=C(Br)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1120>,1.1651999999999998,0.8764844463322105,3.4003620357781816,0.9820601958828705
[O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1],OCC=C(C1=CC=C(Cl)C=C1)C=NN=C(C2=CC=NC=C2)N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1190>,2.501999999999999,0.5050259731692108,2.904356324219723,-0.37922645837366886
[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][C][O][=C][Ring1][=Branch2],CCCC(C)C(=O)NC1=CC=C(SC)C(O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1200>,3.488800000000002,0.7896978628738575,2.6742378801846645,1.274251434184623
[N][#C][C][=C][C][Branch1][P][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][Ring2],N#CC=C1C(NCC(=O)N(C)CC2CC2)=CC(N3CCCC3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1270>,1.2436799999999997,0.7753443450406847,3.358953264098094,0.5177684611053293
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],CCNC(=O)C1=CC=C(NC(=O)C2=C(C)N=C3C=CC=CN23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A12E0>,2.6447200000000013,0.7751638750756895,2.0221956999176207,1.8536236754608266
[O][=C][Branch2][Ring1][Ring1][C][S][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][NH1][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1],O=C(CSC1=NC(C2=CC=CS2)=N[NH1]1)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1350>,2.534700000000001,0.6819133530159946,2.526007888422244,0.8835588766577294
[N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][C][Ring2][Ring1][Branch1],NC(=O)N1CCCC(C(=O)NCC2=CN(C3=CC=CC=C3)N=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A13C0>,0.6741999999999992,0.8601917662582026,2.67889373444115,1.6220650968498624
[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][#C],CC(C)COC1=CC=CC(NCC2=CC=C(F)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1430>,3.867600000000002,0.8679722526863323,2.009378953286175,2.330482310145486
[C][C][Branch1][#Branch2][C][C][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C],CC(CCC1=CC=CO1)N(C2CC2)S(=O)(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A14A0>,1.8715000000000002,0.7686801220580757,3.2339601592402545,0.6094404510501237
[C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Ring1][P][C][Branch1][C][N][=O],CC1=C(NS(=O)(=O)C2=CC=CC=C2C)C=CC=C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1510>,2.20314,0.9071047329945783,1.8250760090961382,2.710447655876753
[C][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(C(C)OC(=O)CN2N=C(C)NC(=O)C(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1580>,2.2682200000000003,0.8653114134801204,3.528451635101984,0.7981054322986179
[C][N][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][C],CN1C=C(CNC(=O)COC2=CC=CC=C2Cl)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A15F0>,1.7686999999999995,0.907434037379585,1.9047335589091325,2.632436627988792
[O][=C][Branch1][N][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],O=C(NC1CCCCNC1=O)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1660>,1.3632999999999993,0.8506173256838577,2.4957917822232663,1.7572948461960225
[C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][=N],CCCOC(=O)C=C1C(C2CC2)=NC(N3CCCC3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A16D0>,2.1399,0.5832204116371809,3.0746655929622886,-0.15856353477638407
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][N][=Ring2][Ring1][Ring2],CC=1C=C(C)N(CC(=O)N2CCC(C(=O)N(C)C)CC2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1740>,0.8267400000000003,0.8287932281028043,2.217033903832977,1.9269322366810444
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(C)S(=O)(=O)N1CCCC1CCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A17B0>,1.8900000000000001,0.8272513457221937,2.52748641212167,1.6087703164892986
[C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CN(CCC#N)C(=O)CCC1=CC=C2C=CC=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1820>,3.1444800000000015,0.8340972734665193,1.9928437306141102,2.1776426367184865
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)NC(=O)CSC1=NN=C(N)N1CC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1890>,1.5252999999999997,0.7904259101353837,2.056720021996707,1.8954095286802115
[C][C][N][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1],CCNC1=C(C)C(C)=NC(CN(C)CC2=NN=C(C)N2C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1900>,1.5941599999999996,0.8736270508673002,2.7387902802636805,1.6293449740728203
[C][C][N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][Ring1],CCN1C=C(CNC(=O)NC(C2=NC=CS2)C3CC3C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1970>,2.4890999999999996,0.7667502594591323,4.127599099140913,-0.2938478018452515
[C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A19E0>,2.818900000000001,0.8607599630994307,2.238218983937381,2.065580831559773
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][P],CC1=NC(C)=C(CC(=O)N(C)CC2=CC=CS2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1A50>,3.022540000000002,0.8622474461408883,2.413662502914992,1.8975747277894497
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][C],CN(C)C1=CC=CC(C(=O)N2CCC3(CC2)OCCO3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1AC0>,1.7316999999999998,0.831716079044214,2.7382959221207592,1.4202844731003106
[O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][=O],O=C(CC1=CC=CS1)NC2CCN(C3=CC=C(F)C=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1B30>,2.3514,0.9406049643741224,2.5942835709632597,2.108741250907353
[C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][S][Ring2][Ring1][Ring2],C1C=NN=C1NC(=O)CC2=C[NH1]C3=CC=C(Cl)C=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1BA0>,2.2680000000000007,0.8664483772857966,2.9142791533147268,1.4179627331142566
[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][F][F],CCOC(=O)CNC(=O)NC1=CC=CC=C1SC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1C10>,2.685900000000001,0.6261565547913587,2.151029921265563,0.9797528526912305
[C][C][Branch2][Ring1][Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1],CC(CNS(=O)(=O)C1=CC(F)=CC(F)=C1)N2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1C80>,1.7274,0.9010611293261306,2.6635251600170893,1.8417804866135636
[C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=N][Ring1][Branch2],CCC(CO)NC(=O)NC1=CC=C(Br)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1CF0>,2.04492,0.7966040330009431,2.8315181477431928,1.1515020172615227
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Branch1],CC1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C(=O)C3CC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1D60>,3.3885200000000024,0.8602697988543029,1.9131369763544743,2.3882120179170396
[O][=C][Branch1][S][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(CSC1=NN=C2C=CC=CN12)NC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1DD0>,2.5992000000000006,0.7526265182049042,1.9256811992467995,1.8374513917777215
[C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CN(CC1=CC=C(C(=O)NCC2=CC=CC=N2)C=C1C3)CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1E40>,3.4091000000000022,0.9217049316446662,3.090361483459943,1.5181631747633881
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Branch1][C],CC(=O)C1=CC=C(NC(=O)CCN2N=C3C=CC=CN3C2)OC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1EB0>,1.7556,0.8253468692424175,4.101275721550423,0.025458624661664153
[C][C][Branch1][C][C][C][C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][O][Ring1][Branch1],CC(C)CC(CNS(=O)(=O)C1=CC=CS1)C2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1F20>,2.867700000000002,0.8410950396205397,3.4528562140142665,0.7526189840884321
[C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][P][=O],CC=C1C=C(NC(=O)C2=CC=C(Br)C=C2)C(=O)[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A1F90>,1.6654999999999995,0.6376559769830373,2.733210340845984,0.4550695440692025
[C][C][C][=C][C][=C][Branch1][P][O][C][C][=C][Branch1][Ring1][C][#N][N][=N][N][Ring1][#Branch1][C][C][O][Ring1][S],C1CC=CC=C1OCC2=C(C#N)N=NN2CCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B040>,0.8925799999999999,0.8337431006902015,3.4678988579445775,0.7008166455064302
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][O],CN(C)S(=O)(=O)C1=CC2=CC(=C1)N(S(C)(=O)=O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B0B0>,0.25900000000000034,0.802557150449306,3.5734272962132803,0.43935845603324974
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1],CNC(=O)C1=CC=C(Cl)C=C1NC2CCC(O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B120>,2.415,0.7978026689097527,2.1102759391703803,1.8787374053783834
[C][C][O][C][=N][C][=N][C][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][Ring2][Ring1][C][O][C],CCOC1=NC=NC(NC2=CC(C)=NC3=CC=CC=C23)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B190>,3.4841200000000025,0.7777651098312373,2.293306206540267,1.595519342615919
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CCOC1=CC=CC=C1NC(=O)C2=CC=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B200>,3.646020000000002,0.9052697700767266,1.4487438153193892,3.077605035064244
[C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCCNC(=O)NCC(=O)NCC(C)CC1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B270>,1.6905999999999997,0.6819269950151956,2.3602903680138496,1.0493446070621282
[C][C][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC(OC)C(=O)NC1=CC(C)=NN1C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B2E0>,2.54422,0.9104578712484699,2.5492238113657404,2.003065544876609
[N][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][=C][Ring2][Ring1][C],N#CC1=CC=C(C(=O)NC2=CC=C3C(=C2)CCC3)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B350>,2.69428,0.905466873603026,2.057595901492233,2.469738466522897
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2],COC(=O)C1CCCCCC1NC(=O)CC2=CC=CC(OC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B3C0>,2.4758000000000004,0.668748737773405,2.714776539863781,0.6289671490032442
[C][C][C][C][C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][#Branch1],CC1CCCCCNC(=O)N2CCOC(C)(C3=CC=CC=C3)C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B430>,3.9124000000000034,0.8479710857968072,4.077729307717995,0.16212612126604142
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=Ring2][Ring1][Ring1],CC=1C=C(C)N(C(C)C(=O)NCN2N=C(C)C=C2C)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B4A0>,1.64818,0.9223711600367407,3.0533906611825916,1.558465139001112
[C][N][C][=Branch1][C][=O][C][NH1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1],CNC(=O)C=1[NH1]N=C(C2=CC=CC=C2)C=1NC(=O)C=3C=CSC=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B510>,2.7501000000000007,0.6887726484660183,2.4237642484983084,1.020098993831783
[O][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(OC1=CC=CC(OC(F)F)=C1)C2=NC=CN2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B580>,3.6929000000000016,0.5287252258381171,2.3020863156957034,0.34153981349488216
[C][O][C][=C][C][=C][Branch1][S][O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring1][P],COC1=CC=C(OC2=CN=C3C=CC=CC3=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B5F0>,3.4307000000000016,0.7159446418538055,1.7681286138541878,1.8115945954148396
[C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][Ring2][Ring1][Branch1],CNC(=O)N(CC1=CC=NC=C1)C=2C=NN(C3=CC=CC=C3)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B660>,2.6133000000000006,0.8056388030220348,2.388065375729287,1.6401286393808876
[C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C],COCCOC1=CC=CC=C1C(=O)N2CCCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B6D0>,2.3363000000000005,0.7653480362202862,2.304339193931055,1.5224009871703763
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC(C)NC(=O)NCC(C)OC1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B740>,2.5516000000000005,0.8148742301244678,2.5937750094499084,1.4805961411724304
[C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C],CC=1N=C2C=CC=CN2C=1C(=O)N3CCCCC3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B7B0>,2.6573200000000012,0.7873348667023619,2.7024673990592607,1.2342069344525486
[C][C][C][=C][N][=N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][=C][Ring1][P][N],CCC1=CN=NC(C(=O)NC2CCCCNC2=O)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B820>,0.019700000000000883,0.7211372240692819,3.252274635541566,0.35341148480484375
[C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Ring1][=N][N][C][Ring1][P][=O],COC(=O)C=1C=NN(C2=CC=CC=C2CC)C=1NC=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B890>,1.7895999999999996,0.665517513333455,2.4665479382485813,0.8610396284186939
[C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][Branch1][N][O][C][Branch1][C][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][N][C][O][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=Branch2],CC(CNC(=O)N1CC(OC2(C)CCCO2)CC1)C3OC4CCCCC4O3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B900>,2.6337,0.791607189706821,4.5708028410674455,-0.6127668925333407
[C][C][Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Branch1][C][N][C][Ring1][=C][=O],CC(C1)NC=NC(C(F)(F)F)=NC=C(N)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B970>,0.7265000000000001,0.6627072552172948,5.030915800602351,-1.7173795245158772
[C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(NC(=O)NC1=CC=C(S(N)(=O)=O)C=C1)C2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99B9E0>,1.6117000000000001,0.7936072485777222,2.375876112847603,1.592160130041008
[C][C][Branch1][#Branch2][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(SC1=NN=NN1C)C(=O)NC2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BA50>,0.7243999999999999,0.8190787140805662,2.640470533110369,1.4549230372924624
[C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][NH1][Ring2][Ring1][Ring1],CC1=NC(CNC(=O)NCC2=CC=C(Br)C=C2C)=C[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BAC0>,2.7884400000000005,0.8029275574807663,2.6744603008859436,1.340177486517888
[C][C][O][C][=Branch1][C][=O][C][N][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=Ring1][=N],CCOC(=O)C=1N=NN(CC2=CC=CC(F)=C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BB30>,1.0372,0.7580466977231042,2.3068534350416883,1.4833800535738328
[C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O],CC1=CC(C(=O)NC(C)C)=CC=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BBA0>,1.53672,0.8906852312213395,1.8599060923300677,2.59352006377663
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC=C(NC(=O)N2CCC3(CC2)OCCO3)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BC10>,2.0745999999999998,0.9224787237265027,2.6490764103267583,1.9633172083057557
[C][C][N][C][=N][C][=C][Branch2][Ring1][C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=N][Ring1][P],CCNC1=NC2=C(C=NN2CC3=CC=CC(C)=C3)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BC80>,2.614820000000001,0.7891583635156474,2.2756871481765835,1.6701046694016535
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][S],COC(=O)CC1=CSC(NC(=O)NC2=CC=C(F)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BCF0>,2.6417,0.8508657272450882,1.9497127208233032,2.304615915402138
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2],COC1=CC=CC=C1CCNC(=O)NC2=NN=C(C3CC3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BD60>,2.7883000000000004,0.858477591617652,2.1159695110329118,2.1764184470553483
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring1][=C][C],COC(=O)C=CC1=C(C=CC2=CC=CC=C12)NC,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BDD0>,3.0677000000000003,0.6626373465461181,2.192085109249833,1.1211016234807576
[C][C][O][N][=C][C][=Ring1][Branch1][C][N][C][C][O][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=C],CC=1ON=CC=1CN2CCOC(CC3=CC=CC(F)=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BE40>,2.565620000000001,0.8672277642854794,2.985128280254429,1.3510105411729683
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][=C][Ring2][Ring1][Ring2],COC(=O)C1=CC=CC(NC(=O)C2=CC=CC(NS(C)(=O)=O)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BEB0>,2.0969999999999995,0.8058461810561712,1.7603782585354715,2.268852646745385
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C],CN(C)C(=O)C1CCN(C2=NC=NC=3SC=CC2=3)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BF20>,1.9958999999999998,0.8485637049657074,2.3782404917477127,1.8645780330808241
[C][C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C],CCCNC(=O)CNS(=O)(=O)C1=CC(Br)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F99BF90>,1.2622,0.7621362175431712,1.9912234876991306,1.819457600016725
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],COC1=NC=CC=C1CNC(=O)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F984040>,2.2984,0.9332509603899761,1.875675685501328,2.790579116448553
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][N][N][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][N][N][=C][Ring2][Ring1][Ring1],CC=C1C(C)=CC(N2N=NC(C3=CC=C(F)C=C3)=C2N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9840B0>,3.413500000000001,0.9178889662955221,3.1535747807972285,1.435870050680382
[N][C][=Branch1][C][=O][C][=C][S][C][Branch1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][Ring2][=C][Ring1][=C],NC(=O)C1=CSC(C(=O)N(C)CC2CCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984120>,1.7191000000000003,0.8864261252932292,2.4452953443823624,1.9868352820837831
[C][C][C][C][=C][Branch1][Ring1][C][O][N][=N][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCCC1=C(CO)N=NN1C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F984190>,2.365500000000001,0.9077008206898569,2.304989658763633,2.2335144446856514
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=N][Ring1][Branch2][C][C][C][C][C][Ring2][Ring1][C],COC(=O)C1(N(C)C(=O)C2=CC(=O)[NH1]C(C)=N2)CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984200>,1.0262199999999995,0.841872068225658,3.0702833571867565,1.1390769839415338
[C][C][C][N][C][=N][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][Ring1][=N],CCCNC1=NN=C(C2=CC=CC(OC)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984270>,3.0356000000000014,0.8844181201786497,1.990203473520305,2.431887127372944
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=N][Ring2][Ring1][#Branch1],CC1=CC=C(C(=O)NCCC(=O)NC2=CC=C(C(N)=O)C=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9842E0>,1.2475199999999995,0.7407788535959499,1.8368332632322684,1.8670610047474812
[C][C][N][C][=Branch1][C][=O][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O],CCNC(=O)N1COC2=CC=CC=C2S1(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F984350>,0.7567000000000002,0.804383670940113,2.9135025883872014,1.1084157663133638
[O][=C][Branch1][P][N][C][C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O],O=C(NCCC1=C[NH1]C2=NC=CC=C12)C3=CC=C[NH1]C3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9843C0>,1.2236999999999996,0.6717595763966135,2.2975434943287656,1.0612543876543024
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=N][Ring1][S],CCN(CC)C1=CC=C(C(=O)NC2CCCCC2C)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984430>,3.2363000000000017,0.9048330761365049,2.876683480291728,1.6474819003907966
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][F],CC(C)(C)NC(=O)COC1=CC=CC=C1CC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9844A0>,3.084900000000002,0.9247189900384055,2.1291189884248194,2.4944759617672085
[C][O][C][=C][C][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C],COC1=CC=C(CSC2=NN=CS2)C(OC)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F984510>,2.856200000000001,0.7643981199137686,2.4100668922424653,1.4119237073263777
[C][C][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2],CC1(C)CCCN1C(=O)C2=CC=C(NC(N)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F984580>,2.1918000000000006,0.8558568240048015,2.142656044116233,2.1366280759077743
[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O],CC(C)COC1=CC=CC2=C1CCNC2C(C)(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9845F0>,2.6791000000000014,0.8772980186582171,3.1390295292367743,1.247460564054311
[C][C][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][C][C][Ring1][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],C1CCCN(CC(=O)NCC1)C(C#N)C2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F984660>,2.8968800000000012,0.9137848931261429,3.3579389930401176,1.2109854725905969
[C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][#N][C][=C][Ring1][S][Br],COC1=CC=C(NC(=O)N(C)C(C)CC#N)C=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9846D0>,3.223580000000002,0.9237491369394889,2.7471836886520205,1.8715619960454237
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1][C][=C][Ring1][S],CC(=O)NC1=CC=C(NC(=O)C2CC3C=CC2C3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984740>,2.795700000000001,0.8297003269925531,3.7061505571253957,0.4423510778373698
[C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][O][Ring1][Branch1],CC(CC1=CC=C(Cl)C=C1)N(C)C(=O)CCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9847B0>,3.955200000000003,0.8092652195682611,2.5527002767491815,1.4936258210921238
[C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O],CC=1N=CSC=1C(=O)NCC2=CC=C(C(=O)N(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F984820>,2.08332,0.9404159048187634,2.0577117901934425,2.644367733900374
[C][C][C][=C][Branch1][C][C][N][=C][N][Branch1][Branch1][C][Ring1][#Branch1][=O][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][S][Ring1][#C],CCC1=C(C)N=C2N(C1=O)CC(C(=O)N3CCOCC3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F984890>,0.44721999999999995,0.7421860398364274,3.3443599899173693,0.3665702092647676
[C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][C],CC(C)NC1=CC=CC(C(=O)N2CCC3(CC2)OCCO3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984900>,2.4860000000000007,0.9319079654961779,2.7619648896445774,1.8975749378363123
[C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][O][C],CCC(=O)OC=C(C1)C=CC=C(C(C)(C)C)N=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F984970>,4.174300000000003,0.5523616663119423,3.78777292542497,-1.0259645938652584
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][C],COC1=CC=C(NC(=O)C2=CN3C=CC=NC3=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9849E0>,1.9901999999999997,0.788377351284687,2.060856909449793,1.8810298469736422
[O][=C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][O][=C][C][O][C][=C][C][=C][Ring1][=C][Ring1][#Branch1],O=COC(C(F)(F)F)=CC=C1COC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984A50>,2.632100000000001,0.5668913769570983,4.263564454180981,-1.4291075693954896
[O][=C][Branch1][#C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][O][C][C][N][C][C][C][C][Ring1][Branch1][=O],O=C(CCC1=CC=CC(Cl)=C1Cl)OCCN2CCCC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F984AC0>,3.0916000000000015,0.7532292201131076,2.196312720823304,1.5698333797422337
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2],CCCNC(=O)CNC(=O)C1CCC(C(C)(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984B30>,2.481299999999999,0.8136326658365739,2.0674183594940008,2.000744969688869
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2],CC1=CC=C(C)C(SCC(=O)N(C)CC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984BA0>,4.054140000000003,0.7762017795692208,1.8436065930527707,2.037402304793333
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],CC(C)(C)OC(=O)NCC(=O)NC1=CC=C(F)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F984C10>,2.428000000000001,0.8963951351339665,1.8498472903116117,2.6321283853582207
[C][C][C][Branch1][Ring1][C][C][C][=N][C][Branch1][Ring1][C][O][=C][Branch1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][#N][S][Ring1][#C],CCC(CC)C1=NC(CO)=C(C(=O)N(C)CCC#N)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984C80>,2.524680000000001,0.8381842371354014,3.020146564622207,1.1707746210547993
[C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][O][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CC(NC(=O)CN1C(C)COCC1C)C2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F984CF0>,2.6264000000000003,0.9292883767086455,3.2507317251356067,1.3957101584076206
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S],CC(=O)NC1=CC=C(CNS(=O)(=O)C2=CC=CS2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984D60>,2.1849999999999996,0.8885996693442968,1.8813822789079229,2.561616067813561
[C][O][C][C][N][Branch1][Branch1][C][C][O][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C],COCCN(CCOC)C1=CC=C(N)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F984DD0>,1.6764199999999998,0.7341536012320593,2.2313438322497205,1.439424173910576
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C],CCOC1=CC=CC=C1NCC(=O)NC(C)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F984E40>,2.6579000000000006,0.795748699168285,2.3151647363373673,1.6635787595040572
[C][O][C][=C][C][=C][Branch1][S][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][Branch1][C][Cl][=C][Ring2][Ring1][C],COC1=CC=C(NC2=NC=NC3=C2C=NN3C)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F984EB0>,2.7689000000000004,0.8030000603247889,2.1774639735290897,1.8375363280948545
[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1],CNC(=O)CNC(=O)N(CC1=CC=CC=C1)CC2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F984F20>,1.5393999999999994,0.8494651327769308,2.0080187939528535,2.2393068699318004
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][P][C],CC(=O)C1=C(C)[NH1]C(C(=O)NCC(=O)N2CCCC2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F984F90>,1.1863399999999997,0.8173894704530332,2.181257385614355,1.9056899666508107
[C][S][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][P][N],CSC1=NC=C(C(=O)NCCC2=CC=CO2)C(=O)N1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8040>,0.24449999999999983,0.46513149163976475,2.5762144217650658,-0.2505569635662419
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring1],COC1=CC=C(OC)C(CC(=O)NC2=CC=C(F)C=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B80B0>,2.4191000000000003,0.9183696623040658,1.9109763453343867,2.6808719661859426
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][C][Branch1][C][C][C][=N][Ring1][=N],CCOC(=O)C1=CC(C)=NC(NCCC(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8120>,2.4197200000000008,0.7865297535044441,2.2215212344691526,1.7111275330530678
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O][C][=C][Ring2][Ring1][Ring2][Cl],COC1=CC=C(NC(=O)C2=CC=CC(OCC(F)F)=N2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8190>,3.639800000000002,0.870319797947807,2.2194222248969115,2.1321767648421233
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#Branch2],COC(=O)CNC(=O)CN1C=CC2=CC=C(Cl)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8200>,1.5838999999999999,0.8652926326338959,2.0790254311877963,2.247437731981683
[C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=O][C][Ring1][S][C][=C][Ring2][Ring1][=Branch2],C12C=CC=C2C(=O)NCCC1(C(=O)NN3C(C)=CC=CC3=O)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8270>,1.0315199999999998,0.814768751588355,4.446186917872811,-0.3723431599310354
[C][#C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][N][=O],C#CCC(NC(=O)CC1=CC(Cl)=CC=C1F)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B82E0>,1.0149999999999997,0.7914741623255511,2.8621284850321125,1.0952423265956432
[C][=C][O][C][Branch2][Ring1][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1],C1=COCCOC2=CC=C(Cl)C=C2NCC3=CC=CN=C3C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8350>,3.646200000000001,0.8012959134996457,3.6074552873321064,0.3990242801661221
[C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CNC(=O)NCC(=O)NCC1=CC=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B83C0>,0.5402200000000006,0.7125674031399993,1.8146747651466129,1.748162250553384
[C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1],CC(C(=O)NC1C2COCC2CC(O)C3=CC=CC=C31)C4=CC=CS4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8430>,3.408800000000002,0.8849888638680093,4.113277967477072,0.311666351862975
[C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C],CNC(=O)COC(=O)C1=CC(C(C)(C)C)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B84A0>,0.6203999999999992,0.8014198617656938,2.340095295059019,1.66700401376945
[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][C][=N][Ring2][Ring1][Ring1],COC1=CC(CNC(=O)C2=C(C)C=C(C)C=C2C)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8510>,2.9454600000000015,0.9388024482452487,2.033082347222619,2.6609298940036243
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],NC1=CC=CC=C1NC(=O)C2=NC=CN=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8580>,2.4355,0.8179289926756896,2.2318411474779047,1.8578038159005432
[O][=C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C][N][Ring2][Ring1][C],O=C1CCN(C(=O)C2(C3=CC=CC=C3)CC2)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B85F0>,1.0666999999999998,0.8622550987088363,2.2297233024988774,2.0815521910453043
[C][C][C][N][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][P],CCCN1CCN(S(=O)(=O)C2=CC=C(F)C=C2F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8660>,1.6811,0.8496242276885932,1.944047543643185,2.3040735947997817
[C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1],CC(NC(=O)N(C)CC1CCCCO1)C(=O)N2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B86D0>,1.5978999999999992,0.8575913888447403,2.9624478240194403,1.325509120204261
[C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][Ring1][#Branch2][=O],CC=1N=CSC=1CNCC2(C3=CC=CC=C3Cl)NC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8740>,2.21982,0.8325848639676079,3.256742492684422,0.9061818271536168
[C][C][Branch1][=N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][C][O][Ring1][Branch1],CC(CNC1=CC=CC=C1C#N)CC2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B87B0>,3.1753800000000014,0.8648719708951624,3.0369560982073054,1.2874037562685068
[C][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],CS(=O)C1=CC=CC=C1C(=O)NCCC2=C[NH1]C3=CC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8820>,2.8778000000000006,0.7571632343401892,2.614891095641445,1.170925076059501
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][N][=Ring2][Ring1][Ring2],C1CC=C(C)N1C2=CC=C(C(=O)NC3=NC=CS3)C=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8890>,3.0915,0.85450111405549,2.716751312739863,1.5557542575375871
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][N][C][=N][N][=C][Ring1][Branch1][O][Ring1][Branch2][=C][Ring2][Ring1][C],CC(=O)NC1=CC=CC(C(=O)CSC2=NN3C=NN=C3O2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8900>,1.6506999999999998,0.5635004345723269,2.693848631912033,0.12365354094960157
[C][C][C][=C][S][C][Branch2][Ring1][=Branch2][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][O][C][N][C][C][Ring1][=Branch1][N][=N][Ring2][Ring1][Branch1],CCC1=CSC(C2=NN(C3=CC=CC=N3)C4=C2CNCC4N)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8970>,2.0561999999999996,0.7697397899255815,3.5717505362008843,0.2769484134270228
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2],COC1=CC=CC=C1CNC(=O)CC2=CSC(C3CCCC3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B89E0>,3.6682000000000023,0.8790550352660648,2.1006832861770484,2.294591890153275
[C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][=N][Ring1][#C],CC(C)(C)C1=CSC(CC(=O)C2=CC=C(N)N=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8A50>,2.8432000000000004,0.8744792753574762,2.5250362216310265,1.8473601551563545
[C][O][C][=Branch1][C][=O][C][C][=C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=Ring1][=C],COC(=O)C=1C=CC2=NN=C(C3=CC=CS3)N2C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8AC0>,2.2443999999999997,0.6622221664028306,2.290632289897239,1.0204785421169138
[C][C][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][Ring1][C][C][N][=Ring1][Branch2][=C][C][Branch1][Ring1][C][O][=C][Ring2][Ring1][C],CCCC=C1C(NC(=O)C=2C=C(C)N(CC)N=2)=CC(CO)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8B30>,2.4839200000000003,0.8480111109749155,3.27045500914136,0.9696005457332184
[O][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],O=C(CCNC(=O)C1=CC=2SC=CC=2N1N)C3=CC=CC(Cl)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8BA0>,3.072800000000001,0.5497237295848554,2.5180529090685084,0.23056573885576848
[C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(NC(=O)CCC1=CC=CC=N1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8C10>,2.8916000000000013,0.8910681589361901,2.111830336122196,2.343510458558754
[C][C][=N][N][=C][Branch2][Ring1][Branch1][N][N][=N][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C],CC1=NN=C(N2N=NC(C#N)=C2C(C)(C)CO)C(C)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8C80>,1.1241400000000001,0.9071553235561124,3.290781532520082,1.2449950852604799
[C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][=Branch2][C],CCC(CC)NC(=O)CCC(=O)N(CC)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8CF0>,1.9397999999999997,0.7068851279129833,2.1221988895328643,1.412226750032052
[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][C][C][Ring1][Branch2],CC1CCCC(C)N1C(=O)C2=CC=C(N=C2N)CCC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8D60>,3.6555000000000026,0.9231943079653671,3.206286632952443,1.4096849068743929
[C][C][C][C][C][C][Branch1][P][C][=C][C][Branch1][C][F][=C][Branch1][Ring1][C][#N][N][=C][Ring1][=Branch2][C][=C][S][Ring1][#C],CCCC1CC(C2=CC(F)=C(C#N)N=C2C)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8DD0>,4.0473000000000035,0.824278323187394,4.0049344969112735,0.11645711902569644
[C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=O],CC(C(=O)NCC1=CC2=CC=CC=C2[NH1]1)CN3CCCC3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8E40>,2.0425999999999997,0.8871040410111926,2.810628625908313,1.6248915791476497
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring1][N],CC(C)CCNC(=O)NC1=CC=CC(N2CCNC2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8EB0>,2.3838,0.7786882190608598,2.14620841834612,1.7472326769581792
[C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CN(CC1=CC=NC=C1)S(=O)(=O)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8F20>,2.5557000000000007,0.8710658270465205,1.8327154166740094,2.522613718558593
[C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],CC(CO)(CO)NC(=O)CCN1C=CC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B8F90>,0.8908999999999996,0.7333171966168356,2.378985850336493,1.2876001327476851
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][Branch1][C][N][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O],COC(=O)C(C)N1C(N)=NC2=CC(Cl)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F985040>,2.0058999999999996,0.8314271199791239,2.717133866806737,1.4400017330888826
[C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=C][Branch1][C][C][O][Ring2][Ring1][Branch1],CC1=CC(C(=O)NC2CC(=O)N(C3=CC=CC=C3)C2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9850B0>,2.4317400000000005,0.9463271601942839,2.532789207262443,2.1988465937089767
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],CC(C)(C)OC(=O)N1CCCC1C2=CC=C3C(=C2)OCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F985120>,3.487300000000002,0.7944103694747624,2.570024396697029,1.402027450676783
[C][C][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch1][C][N][N][=C][Ring1][=C][C][Ring2][Ring1][C][=O],C1C=CN(CC2=CC=CC=C2N)C=C(N)N=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F985190>,1.3857000000000002,0.7829034266075234,3.791977655469517,0.12253947756810035
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][=C],CCOC(=O)C1=CC=C(N2CCC(O)CC2)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985200>,1.9635,0.8505768416454901,1.930529349910584,2.3223548583168663
[C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F],CCN(CC(C)(C)O)C(=O)CCC1=CC=C(C)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F985270>,2.6861200000000007,0.8706414590548452,2.3518226168718446,2.001384678402381
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][S][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],CC(=O)C1=CC=C(S(=O)(=O)OC2=CC=C(SC(F)F)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9852E0>,3.971600000000003,0.4441594237193721,2.140089223523285,0.08070789507357556
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C],CC(C)C1=CC=CC=C1OC(=O)CSC2=N[NH1]C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F985350>,1.9294999999999995,0.5186932693965388,2.351462718575405,0.24200362840728884
[C][C][C][C][C][C][Branch1][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][=C],CCC1CCC(CNS(=O)(=O)C(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9853C0>,2.5306000000000006,0.8112024924833755,2.2952135916274017,1.7607988707894755
[C][O][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][F][F][N][=C][Ring2][Ring1][C][N][=Ring1][P],COC1C=NN=C(SCC2=CC=CC=C2SC(F)F)C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F985430>,2.9747000000000003,0.8428334290084554,4.140703558518585,0.07346358652369123
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O],COC1=CC=CC=C1NC(=O)NCC=2C=NN(C3=CC=CC=C3)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9854A0>,3.2026000000000012,0.7577586367556155,1.8655317050889177,1.9232614786891595
[C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][NH1][N][=C][Ring2][Ring1][Ring1][C][C],COC(=O)CC1=C(C2=CC=CC(=C2)C(C(=O)OC)C(C)C[NH1])N=C1CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F985510>,3.0010000000000012,0.6690430593689574,3.96446931994224,-0.6192540230974535
[C][C][C][O][C][Branch1][C][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Branch1][C][C][=Branch1][C][=O][=O],CCCOC(C)CN(C1=CC=CC=C1F)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F985580>,2.4068000000000005,0.7741342608713723,2.85833300991899,1.0123382944378712
[O][=C][C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1],O=C1CC(C(=O)OCCCC2CCCC2)C3=CC=CC=C3N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9855F0>,3.626000000000002,0.6672230348355851,2.728445899259963,0.6076692749179622
[C][C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][O][Ring2][Ring1][=Branch1],CCC1=CC=C(CNC(=O)C(CC2=N[NH1]C3=CC=CC=C23)CC)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985660>,3.6034000000000024,0.6969797022314604,3.0475044367822877,0.43739407437501443
[C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Branch1][C][C][=N][Ring2][Ring1][Ring2],CC1=CC(OCC(=O)NCC2=CC=C(Cl)C=C2)=NC(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9856D0>,2.4420400000000004,0.9212915782402977,1.9958391875768875,2.610618703624601
[C][C][=C][C][=C][N][=N][C][Branch1][Ring1][C][#N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2],CC1=CC=C2N=NC(C#N)=C(NCC3=CC=CC=C3)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985740>,3.4220000000000015,0.7945493248176697,2.160911464063947,1.8118351600244016
[C][C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][O][C],CCOC1=CC(NC(=O)C2=CC=CC=C2OC(C)C)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9857B0>,4.1334000000000035,0.8294890666743594,1.7438222414182611,2.403623091953536
[C][C][C][Branch2][Ring1][=N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][=N][O][C][=Ring2][Ring1][=Branch1][N],CC=1C(C2CCN(C(=O)COC3=CC=C(F)C=C3)CC2)=NOC=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F985820>,2.48932,0.9294506018690751,2.351320813039793,2.295932196305582
[C][O][C][=C][C][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][S],COC1=CC=C(CCNC(=O)C=2C=N[NH1]C=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985890>,1.3908,0.836141324998633,1.9271414614948732,2.2535651634982923
[C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(NC(=O)C1=CC=CC(NC(N)=O)=C1)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F985900>,2.8073000000000015,0.8109611987764591,2.1586390384465943,1.8961669554357012
[C][C][O][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCOCCC(=O)NCC(CO)CC1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985970>,1.3803999999999994,0.6632049451210201,2.463700732392594,0.8523239932125066
[O][=C][Branch2][Ring1][#Branch2][C][O][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1],O=C(COC1=NC=NC=2SC3=C(C1=2)CCCC3N4C)CCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9859E0>,2.7422000000000013,0.7476256617985773,5.107550466567654,-1.3694221575747676
[C][N][C][=C][C][=C][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1],CN1C=CC=C1CN(CC2=CC=CS2)CC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F985A50>,3.8820000000000032,0.6854808416331601,2.3800054955218144,1.0473987126439863
[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C],CC1=C(N)C=CC=C1C(=O)N2CCCCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F985AC0>,2.591820000000001,0.7564174891267303,2.397017770599522,1.3850696750341296
[O][=C][Branch2][Ring1][O][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][O][Ring1][Branch1],O=C(NCCCNC(=O)C1=CC=CC(N2C=NN=N2)=C1)C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F985B30>,0.8051999999999992,0.6149989929042879,2.221006979063892,0.8539879854575476
[C][C][=N][C][Branch2][Ring1][=N][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][O][Ring1][P][=N][O][Ring2][Ring1][#Branch1],CC1=NC(C(N2S(=O)(=O)CC3=CC=CC=C3)CCCCCO2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985BA0>,2.7567200000000014,0.8418100331608976,3.230241560528105,0.9788086052763827
[C][N][N][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][Ring1][Branch2][=N][Ring1][N],CN1N=CC(Cl)=CC(Cl)=C(Br)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985C10>,3.008800000000001,0.7323640775568421,3.1480988648842283,0.5137215228999823
[C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][C][C][C][Ring1][Branch1][=O],CC1=CC(S(=O)(=O)N2CCCC2)=CC=C1N3CCCC3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F985C80>,1.90632,0.8567971626088321,2.032519761240513,2.2514660518036473
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][C][S][C][=C][C][=Ring1][Branch1][F],O=C(CC1=CC=C(O)C=C1)NCCC=2SC=CC=2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F985CF0>,2.494200000000001,0.8831610374132567,2.254307917883491,2.1614972691827923
[C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][Ring2][C][O][C][=C][Ring1][=Branch2],CN1C=CC=C1CNC(=O)CNC2=CC=CC(COC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F985D60>,1.8997999999999997,0.8175490388065106,2.159697466586014,1.9280477274465397
[O][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][S],O=COC(C1=CC=CC=C1)=NC=C(Br)C=CC=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F985DD0>,3.0482700000000014,0.3931812522201806,3.822499588887843,-1.8565933277869402
[C][C][Branch1][C][C][O][C][=N][C][=N][C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][S][N],CC(C)OC1=NC=NC(NC2=NC3=CC=CC=C3S2)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F985E40>,3.199300000000001,0.7693305613329217,2.3595251588937067,1.4871276477709015
[C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][=Branch1][C][=Branch1][C][=O][N][=C][NH1][C][=C][NH1][Ring1][Branch1],CCC(=O)N1CC2CCC(C1)C2C(=O)N=C3[NH1]C=C[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002763F985EB0>,0.6646999999999997,0.8318918760613586,4.9264483388256455,-0.7669889585188523
[C][O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch1][C][=C][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring1][P],COC=C1C=CC(NC=C2C(C=CC=3C=C)SC=3N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985F20>,3.073800000000001,0.7773821050367706,5.708355722978339,-1.8214451977944854
[C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring1][P],CCCC(=O)N1CCC(C2=NC(C3=CC=CC=C3)=NO2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F985F90>,3.242700000000002,0.8692666018247525,2.027395232186757,2.3189377769370054
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],CN(C)S(=O)(=O)NCC1=NN=NN1C2=CC=CC(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F992040>,0.21170000000000044,0.8509770885997368,2.4140036275592696,1.8408818154394142
[C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],CN1C=C(Br)C=C1C(=O)NC2=CC=CC=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9920B0>,2.9115800000000007,0.9271292306882059,2.1244938875303756,2.5111522659106535
[C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],COCCN(CC1=CC=CO1)C(=O)NCC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F992120>,2.7769000000000013,0.8555416721777808,2.099855225318626,2.1778531355702784
[C][C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CCN(CC(=O)N1CCCC(C(C)C)CC1)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F992190>,3.9367000000000028,0.8203106734266894,2.5829123150470377,1.5186410520864095
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][C][C][C][C][Ring1][Ring2],O=C(NC1=CC=C(N2CCCCC2)N=C1)C3CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F992200>,2.810500000000001,0.9075202937777396,1.8522690833846553,2.6853323855040427
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2][F],COC1=CC=C(CCNC(=O)NCC2=CC=CC=C2F)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F992270>,3.0153000000000016,0.8594577635910263,1.8423392996010541,2.454949518354077
[C][C][O][C][=C][C][=C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S],CCOC1=CC=C(CC(=O)NCC2=CC=CO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9922E0>,2.5372000000000003,0.8669328959988163,1.7202799924755645,2.6143844875185174
[C][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][Ring1][O],CCCC(=O)NCCC(=O)N1CCC(N2C=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992350>,1.9579999999999993,0.8708083959018065,2.3124482358167864,2.041593743692246
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],COC1=CC=C(C)C=C1C(C)NC(=O)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9923C0>,3.281320000000001,0.9057708582005798,2.3432525583658688,2.1856017326370303
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][NH1][N][=C][Ring1][=C][Ring1][=Branch1],CC(C)CN1C(=O)C=2SC=CC=2N3C(=O)[NH1]N=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F992430>,1.055,0.7517773705388494,2.813472964453453,0.9454138882407941
[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCN(CC)S(=O)(=O)N(CC)CC1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9924A0>,2.748500000000001,0.7769549314790941,2.1548417037055128,1.729932953689958
[C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][N][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F],CCNC(=O)C1=C(C(F)(F)F)N=CN=C1C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F992510>,2.2639000000000005,0.8488505497067674,2.717068409772555,1.5271843387612822
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][#C],COC(=O)CC1=CSC(NC(=O)C2=CC=C(F)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992580>,2.25,0.8781647227086632,1.856535850336492,2.534287763206824
[C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C],CCCCNC(=O)NC1=CC=CC=C1C(=O)N(CC)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9925F0>,3.090200000000001,0.7583225877510705,1.8386011801138658,1.953011758641487
[C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl][C][C][N][C][Branch1][C][N][=O],CC(C(=O)NC1=CC=C(C#N)C=C1Cl)CNC(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F992660>,1.4545799999999998,0.7765300340489877,2.6778361773398025,1.204813992905136
[C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][S][Ring1][N],COCC(=O)NC1=NN=C(C2=CC=CC(N)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9926D0>,1.3722,0.8139312218436424,2.1294380504263035,1.940218058791909
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C],CNS(=O)(=O)C1=CC=C(NC(=O)C2=CC=CS2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992740>,1.9084999999999999,0.9046530738749227,1.812505257022341,2.710760112352272
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2],CNC(=O)C1=CC=CC(CCNC(=O)NC2=CC=CC(C#N)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9927B0>,2.2820800000000006,0.7880189523016026,1.93266606190857,2.007428699599443
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][P],CC(C)OC1=CC=C(NC(=O)NCC2=CC=NN2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992820>,2.529000000000001,0.8880297599867165,2.0681865148259106,2.3719622851076716
[C][S][C][=N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][P],CSC1=NC(CNC(=O)CCC2=CC=CC=N2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992890>,1.4355,0.8051524263310789,2.559920831636404,1.4658413000189903
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],O=C(NCC1=CC=CC=C1)NC2CCN(C3=CC=CC=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F992900>,2.2913000000000006,0.9100752327659356,2.3034201114018025,2.2469560524278753
[C][O][C][=C][C][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Ring1][#C][C],COC1=CC(C2=CC(C)=CC=C2O)C=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F992970>,3.8306200000000032,0.8536362214859228,3.4021504969112737,0.8660306105183402
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1],CC1=NC2=CC=CC=C2N=C1SC(C)C(=O)N3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9929E0>,3.041220000000002,0.817536029658552,2.5919859221207577,1.4956942261720023
[O][=C][Branch1][=C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],O=C(C1=CC=C2[NH1]C=NC2=C1)N3CCN(C4=NC=CC=N4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F992A50>,1.3153,0.7722054545017272,2.2634653385846946,1.5975619339239415
[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][Ring1][#Branch2],CC(=O)N1CCCC1C(=O)NCC2=CC=CC(NC(C)C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F992AC0>,2.1339999999999995,0.8758054777519513,2.4857192402120436,1.893308148547713
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CC1OC2=CC=CC=C2OC1C(=O)NC3=CC=C(F)C(F)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F992B30>,3.131800000000001,0.9270294012104356,2.8282986925057934,1.8068483135463849
[O][=C][Branch1][S][N][C][C][C][=N][N][C][=C][C][=C][C][=Ring1][=Branch2][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(NCC=1C=NN2C=CC=CC=12)CCOC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F992BA0>,3.0730000000000013,0.7558341562033047,2.162292471022054,1.6168783099944695
[C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring1],CC1=CC(CNC(=O)CC2=NOC3=CC=CC=C23)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992C10>,1.9831199999999998,0.7843169407849765,2.2845630102455488,1.6370216936793338
[C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=N][N][C][C][C][C][Ring1][Branch1][=O],COC1=CC=C(NC(=O)NC2CC2)C=C1N3CCCC3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F992C80>,2.1059,0.8914700855817369,1.9979724339914906,2.459377993917194
[C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Ring1][O][N],CCCC(C)NC(=O)C=1ON=C(C2=CC=NC=C2)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F992CF0>,2.2372,0.8715520997051516,2.985382602574532,1.3723778959512263
[C][C][=N][C][=C][C][=Branch1][C][=O][NH1][N][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],CC1=NC2=CC(=O)[NH1]N2C(C)=C1CC(=O)OC3=CC=CC(Br)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F992D60>,2.550040000000001,0.5631820588953651,2.590230878743064,0.2256794157337616
[O][C][C][=C][Branch1][Ring1][C][#N][N][=N][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],OCC1=C(C#N)N=NN1C2=CC=C(Br)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F992DD0>,1.3937799999999998,0.9010505152818933,2.5981700138098702,1.9070825625995962
[C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1],CC(SC1=CC=CC=N1)C(=O)NCC2=NN=C3N2CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F992E40>,2.1964999999999995,0.8504355223409541,2.857212533904672,1.394965077800098
[C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S],CC(=O)N1CCN(C(=O)C2=CC=C(Cl)C=C2Cl)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F992EB0>,2.2977,0.7983461171987408,1.7674598902700804,2.224270695723624
[C][N][C][=N][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=N][Ring2][Ring1][=Branch1],C1NC=NC1CNC(=O)C=N[NH1]C(C2=CC=CC=C2)=NCC=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F992F20>,-0.22552999999999773,0.31668533964288753,4.262148699231885,-2.678722001017447
[C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F],CC(CO)NC(=O)C1=CC=CN=C1OCC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F992F90>,1.1333000000000004,0.846746755207416,2.722466946570572,1.511266829466508
[C][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=Ring1][N][N][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1],CN1C=NC=2C(=O)[NH1]C(N3CCCC3)=NC=2N1C4CCCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4040>,2.029399999999999,0.904010907497693,3.3140444802069,1.2060100572815644
[C][C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2],CCCN(CC(=O)OC)S(=O)(=O)CC1=CC=CC(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B40B0>,1.4099999999999997,0.678241338533987,2.1493820819706304,1.2418246106993047
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][=N][N][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][S],CN(C)C1=CC=CC(NCCSC2=NN=NN2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4120>,1.4802999999999997,0.637833520185523,2.3522386871142604,0.8369289138133542
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][NH1][C][=Ring1][#Branch2][C][Ring1][=C][=O],COC1=CC=C2C=C1N3C(SCC(N)=O)=N[NH1]C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4190>,0.11669999999999997,0.8208766738273158,4.114835383834725,-0.010452014698146606
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1],CC1=CC=C(C(=O)NCC(C)OC2=CC=CC=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4200>,2.587320000000001,0.9081843498063132,2.292277975622536,2.2486437734090305
[C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][#N],CC(OC1=CC=CC(Br)=C1)C(=O)N2CCCC2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4270>,2.7309800000000006,0.8593432685691458,2.974404643092816,1.3223116997529125
[C][O][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][C][Ring2][Ring1][C],COCC(C(=O)NCC=1C=NN(C2=CC=CC=C2)C=1)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B42E0>,2.5512000000000006,0.8149837586800994,2.6730044500841377,1.40191434331636
[C][C][C][N][Branch1][O][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][C][O][Ring1][Branch1],CCCN(CC1=NC=CC=C1C)NCC2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4350>,2.2856199999999998,0.765920569301575,3.237212993464855,0.5923898530430205
[C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1],COC=1C=C(C)SC=1C(=O)NCC2=CC=C(C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B43C0>,3.3650400000000023,0.9328650816932608,2.3323883490688377,2.3319370593974664
[O][=C][N][C][C][C][N][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][Ring2][Ring1][Ring2][=Ring1][S],O=C1NCCC=2N=C(CCNC(=O)C3=CC=CS3)C=CC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4430>,1.4015,0.8965326401922953,2.5020579962203158,1.9806052047411606
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][=C][Ring2][Ring1][#Branch1][C],CC1=CC=C(C)C(OCC(=O)NC2=CC=CC=C2N3C=CN=N3)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B44A0>,3.210060000000002,0.7766309075902336,2.261223283847281,1.6219312541038868
[C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],CC(C1=NC=CS1)N(C)C(=O)CCC2=CC=C(OC)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4510>,3.3039000000000023,0.8220575632271668,2.5548006678834714,1.5554871482523627
[C][C][Branch1][C][C][N][C][Branch1][C][N][=N][N][=C][Ring1][=Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CC(C)N1C(N)=NN=C1SCC2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4580>,3.3869000000000016,0.873547529462503,2.207761887530376,2.1599757597821387
[C][O][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][N][=O],COC(C)C(NC(=O)NC1=CC=CC=C1Cl)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B45F0>,1.3503000000000003,0.7621312241953012,2.797050318837716,1.0136058021387901
[C][C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1],CCN(CCC#N)C(=O)NC1=CC=CC2=C1OC(C)(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4660>,3.167580000000002,0.9246401206361627,2.5920897742783247,2.031110828902489
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][C],CNC(=O)C1=CC=C(CNC(=O)C2=C(F)C=CC=C2Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B46D0>,2.768700000000001,0.9097872244827362,1.7714454252825966,2.7774906971310847
[C][O][C][=C][C][=C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][S][O][C],COC1=CC=C(CCC(=O)NC=2C=C[NH1]N=2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4740>,1.9981999999999998,0.8450393906731865,2.3494890747436656,1.8757078786222667
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][C][C],C1OC=CC=C1NC(=O)C=2SC=CC=2NC(C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B47B0>,1.8640999999999999,0.8753308381481463,3.0881891816480236,1.2884650090927074
[C][O][C][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=N][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],COCCCOC(C)C(=O)C(C#N)C1=NC2=CC=NC=C2[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4820>,1.57578,0.7428088642565461,3.5884190399003337,0.12562528138239681
[C][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1],CC(C)(C)CCC(=O)N1CCCCC1CCN2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4890>,2.916100000000002,0.7825524956899037,2.7793199764932126,1.133442501956306
[C][C][Branch2][Ring1][O][C][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1],CC(C1CCN(CC2=CC=C3C(=C2)OCO3)CC1)N4CCOCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4900>,2.3480000000000008,0.8454266859268827,2.7589568933275785,1.468176536306835
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][Ring2][Ring1][Ring2],CC1=CC=C(NC(=O)CCNC(=O)C=2C=NN(C)C=2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4970>,0.8821199999999993,0.8541191852822845,2.135152616520827,2.1354433098905954
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1][O][Ring2][Ring1][#Branch1],NC(=O)C=CC=CCSC1=NC(C2=CC=C(F)C=C2)=NC=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B49E0>,4.096900000000003,0.4741304949909639,3.0378956373060957,-0.6672431623512765
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],CC1=CC=CC=C1CCCNC(=O)N2CC(=O)NC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4A50>,3.0959200000000013,0.8494524941194044,2.144404710344535,2.102857760252487
[C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][N][=Ring1][S],CC(C)(C)C=1C=C(C(=O)NCCC2=CC=NC=C2)[NH1]N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4AC0>,2.0747,0.8947952155734115,2.37707458660023,2.096901491266827
[C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][#C],CCCNC(=O)C1CC(=O)N(C2=CC(C)=CC=C2OC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4B30>,1.88272,0.9005323514675104,2.377640060051794,2.1250216972857583
[C][C][O][C][=C][C][Branch1][=N][C][N][Branch1][C][C][C][Branch1][C][C][C][C][=N][O][C][Ring1][N][=O],CCOC=C1C(CN(C)C(C)CC=N)OC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4BA0>,1.1921699999999997,0.3141276111982554,4.664989656937346,-3.0943516009460685
[C][N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1],CN1C(C(=O)N(C)CCOC2=CC=CC=C2C)=CC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4C10>,3.6377200000000025,0.7186170190909946,2.0592606320443174,1.5338244634106557
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1],O=C(NCC1=CC=CS1)N(CC2=CC=NC=C2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4C80>,3.0173000000000014,0.9184669942988422,2.2060648670094753,2.386270104484735
[C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][S][Ring1][#Branch2],CC(NC(=O)CC1=CC=C[NH1]1)C2=NC(C=3C=CSC=3)=NS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4CF0>,3.0146000000000015,0.7594476674527588,3.4569734252733433,0.3402649119904506
[C][C][Branch1][C][C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CC(C)N(CCC#N)C(=O)CCC=1C=NN(C)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4D60>,1.50338,0.7661576312529763,2.5398471371379134,1.2909410191269681
[C][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Ring2][O][C],CCC1=NC(NC(=O)C2=NC3=C(C)C=CN=C3N2C)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4DD0>,2.4950200000000002,0.7967531833951548,2.6204346409590187,1.3633312760167553
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1],CC1=CC=CC(C(=O)OCC(=O)C2=CC=C(Cl)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4E40>,3.083120000000001,0.6409680230041662,1.8176949162705576,1.3871451987502734
[C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],CC(OC(=O)C1=CC=C(N2C=NC=N2)C=C1)C3=CC=CC(F)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4EB0>,3.3244000000000016,0.6935576767668855,2.5350428438931925,0.932745539941235
[C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2],CCN(CC(C)C)C(=O)NC1=CC=C(F)C(C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4F20>,3.207180000000002,0.9064242823505737,2.1963014322123016,2.3358199795405667
[C][O][C][=C][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C][#N],COC1=CC=C(NS(=O)(=O)C2=CC=C(C(C)(C)C)C=C2)C=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B4F90>,3.665180000000003,0.9176713692517305,2.01473055546931,2.573626290789343
[F][C][=C][C][=C][Branch1][O][C][=N][C][=C][N][=C][Ring1][=Branch1][C][#N][C][=C][C][Ring1][#C][C][=C][NH1][C][=N][Ring1][Branch1],FC1=CC=C(C2=NC=CN=C2C#N)C=CC1C3=C[NH1]C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE040>,2.6617800000000003,0.9162225061430275,4.318451609384315,0.26266092133082264
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(OCCC(=O)OC2=CC=C3C(=C2)OCCO3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE0B0>,3.1407200000000017,0.6266836889758821,2.017875019816543,1.1155434250628673
[C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCN1C(SCC(=O)OC)=NN=C1C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE120>,2.8835000000000006,0.6275145075886641,1.96254793824858,1.1750245996947406
[C][C][C][=C][Branch2][Ring1][Ring1][C][N][C][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Ring1][#Branch2][NH1][N][=Ring1][P],CC=1C=C(CNC=2C=NN(CCC(C)C)C=2)[NH1]N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE190>,2.57282,0.8244854764864515,2.8027819418290196,1.3196454406032379
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NOC(C)=C1CNC2CCC(C)CC2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE200>,4.3534400000000035,0.9114170513494939,3.1920393891353633,1.365045867612106
[C][C][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1],CCCCN(CCO)C(=O)NC1=CC=C(C)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE270>,2.0163200000000003,0.8125382534138026,2.1783388106072987,1.8843524564617145
[O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1],O=C(NCC1=CC=CC=C1N2CCCCC2)NC3CC4CCC3O4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE2E0>,2.796000000000001,0.8929862142780498,4.041025688550002,0.42390538284024704
[C][C][C][C][C][=N][NH1][C][Branch1][C][O][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCCCC1=N[NH1]C(O)=C1C(=O)NC2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE350>,3.363600000000001,0.7907127548635066,2.3674168942925355,1.5861468800249972
[C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=N][C][=N][NH1][N][=C][Ring1][Branch1][C],CCN(CC1=CC=CC=C1C)C(=O)NCC=NC2=N[NH1]N=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE3C0>,2.3555400000000004,0.8024792460225567,3.03870237652413,0.9736938535886539
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][Ring1][#Branch2][C],CCN(CC)C(=O)CC1SC2=NN=C(C)N2CC1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE430>,1.95542,0.8468175173675667,3.9728061837872453,0.2612814030505888
[C][C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(CC(=O)NC1=CC=CC=C1C#N)C(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE4A0>,2.659080000000001,0.9225977445522517,1.8441882936838923,2.7688004290773662
[C][O][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][=C],COCC(=O)NC1=CC=NC(OC2=CC=C(C)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE510>,2.767220000000001,0.9087976572329455,1.9020518277801006,2.6419364583846265
[C][O][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][P],COCCNC(=O)N1CCN(CC2=NC(C3=CC=CS3)=NO2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE580>,1.2716999999999998,0.7893408369369672,2.286595221572435,1.6601089631124006
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][=N][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(C(=O)C2CCN(C3=CC=C(C#N)C=C3)C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE5F0>,3.202580000000002,0.8568603881497071,3.844264823887448,0.44003711686108726
[N][#C][C][C][=N][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][Ring2][Ring1][Ring1],N#CCC1=NC=2N=CN(CC3=CC=CC=C3)C=2C(=O)NCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE660>,2.05108,0.9397081882087643,3.081799318725218,1.616741622318604
[C][O][C][C][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C],COCCN1CCN(C(=O)CC2=CC=CS2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE6D0>,1.0812,0.8009760573952159,1.9785852484771222,2.026295038498957
[C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][N],CC1=CC=C(S(=O)(=O)NC2CCCC(C)C2)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE740>,2.43422,0.8363445352073834,2.849326597988428,1.3323960780484887
[C][O][C][=C][C][Branch1][S][C][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][S][C],COC1=CC(CNC(C)C(=O)N(C)C)=C(C)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE7B0>,1.8783399999999995,0.8826026371550096,2.616390475982337,1.796622709792711
[C][C][=C][C][Branch2][Ring1][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O][=C][Branch1][C][C][N][Ring1][P][C][=N][C][=C][S][Ring1][Branch1],CC1=CC(C2=CN(C3=CC=CC=C3)N=N2)=C(C)N1C4=NC=CS4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE820>,3.7983400000000014,0.5765086299212472,2.4907893711368647,0.3917537784693712
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(CCC(=O)N2CC=C(C3=CC=CC=C3Cl)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE890>,4.597100000000005,0.7841937551524145,2.0535512361766415,1.867417539585431
[C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][N][=C][Ring1][Branch1][C],CN1C=C(Br)C=C1C(=O)NCCC2=C[NH1]N=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE900>,1.79162,0.9041202695783234,2.930669579838069,1.5899317680535479
[C][C][C][=N][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1],CCC1=NOC(CC)=C1CC(=O)NC2=CC(Cl)=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE970>,3.029000000000001,0.9198369653315834,2.6505806305562736,1.9486041961016438
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],C=CCC1=CC=CC=C1OCC(=O)C2=CC=C(N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AE9E0>,3.2590000000000012,0.4962929003375921,1.9441514229218022,0.5373130787661582
[O][=C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1],O=C(CNC1=CC=CC(C(=O)N2CCCCCC2)=C1)N3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEA50>,1.9735,0.9063068338043054,2.001742700876326,2.529791468145201
[C][C][=N][C][=C][N][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][#N],CC1=NC=CN1C2=NC3=CC=CC=C3N2CCC#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEAC0>,2.4441000000000006,0.717972996361631,2.5576223700979437,1.0322426117102115
[C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][O],CNC(=O)NCC(=O)NCC1(C2=CC=CC(Cl)=C2)CCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEB30>,1.8069000000000006,0.7760838235982714,2.2977038326337613,1.5827152853575956
[C][=C][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],C=CCNC(=O)NCC1COCCC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEBA0>,1.8280999999999996,0.8114416341551615,2.963419147311008,1.0937890234647991
[C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2],C#CCNS(=O)(=O)C1=CC=C(NC(C)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEC10>,0.5564999999999998,0.7686338197074521,2.023216414616476,1.8199526839207847
[C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O],CCC(CC)NC(=O)C(C(C)C)N1CCCCC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEC80>,2.3283000000000005,0.803490254058592,2.8541737339008897,1.1632775363920702
[O][=C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][N][C][C][O][C][C][Ring1][=Branch1],O=C1CCN(S(=O)(=O)N2CCCCC2)CC1N3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AECF0>,-0.30729999999999746,0.7096380480070377,3.053309944589633,0.49488029544555534
[O][=C][Branch2][Ring1][=Branch2][C][=C][C][=N][C][Branch1][S][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1],O=C(C=C1C=NC(NCCCC2CC3CCC2C3)=C1)N4CCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AED60>,3.267000000000002,0.6009849749717698,4.847704561789438,-1.842779686930589
[C][O][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2],COCCCN(C)C(=O)NC1=CC=C(OC)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEDD0>,2.2039999999999997,0.7788862514879525,1.8689862849019274,2.0254449725378354
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S],CCCCS(=O)(=O)N1CCC(C(=O)NCC2=CC=CN=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEE40>,1.5396999999999994,0.817089564214228,2.099558234512294,1.9858895865588462
[C][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C],C#CCOC(=O)C1=CC=C(S(=O)(=O)C2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEEB0>,2.3094,0.6419573934237076,1.972490817303095,1.237296149815443
[O][=C][Branch2][Ring1][O][N][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N][C][=C][C][=C][N][=C][Ring1][=Branch1],O=CNCCNC(=O)CC=CN(C1=CC=C(F)C=C1)N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEF20>,0.27179999999999993,0.2759984593226108,2.996363597589241,-1.6163713009761869
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1],COCCNC(=O)C1=CC=CC=C1NC(=O)C=2C=COC=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AEF90>,1.9080999999999997,0.7956051279254039,1.94739208197063,2.0306335576563894
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2],CC(C)(C)OC(=O)NC=1N=C2C=CC=CN2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5040>,2.0763,0.8197289191626307,2.3594295932971843,1.7392150025159694
[C][C][C][C][=Branch1][C][=O][C][C][=N][O][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][N][Cl],CCCC(=O)CC1=NOC(C(=O)NC(C)CC)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A50B0>,2.7680000000000016,0.8363757252188735,3.1777284850321106,1.004150141062257
[C][O][C][C][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][N],COCCCN1C(CO)=NC2=CC=CC(Cl)=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5120>,2.2185000000000006,0.8326356330009458,2.230624274148248,1.9325538908564814
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1],CCS(=O)(=O)C1=CC=CC=C1NC(=O)C2CC=CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5190>,2.7750000000000012,0.8682135103330676,2.704943591585522,1.636123960079816
[C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][C],CCOC1=CC=CC(C(C)NC2=NC3=CC=CC=C3O2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5200>,4.399600000000003,0.7531322148531177,2.481205455538161,1.284455618727427
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],COCCN(CC1=CC=CN=C1)S(=O)(=O)C2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5270>,2.572300000000001,0.7769193001354974,2.077481669841843,1.8071148308356437
[C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N],CCNC(=O)CNC1=CC=CC(C(=O)NC(C)CC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A52E0>,1.7628999999999992,0.7110373733697724,2.289105020156949,1.2660818466919128
[C][#C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][Ring1][Branch2][=C][Ring1][O],C#CCOC(=O)C=C1C=C2C=C(OC)C=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5350>,0.37260000000000004,0.43492991347440646,3.1858968739557145,-1.011247306583682
[C][N][N][=C][C][=C][Ring1][Branch1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],CN1N=C2C=C1N=C(C3=CC=CC=C3)NC4=CC=CC=C42,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A53C0>,3.590900000000002,0.7364985694746756,3.2568015860241593,0.42569126134921875
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][=C],CC(=O)NCC1C2=CC(NC(C)C)=CC=C2C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5430>,3.143500000000002,0.8707745516077896,3.238684558822575,1.115188199216373
[O][=C][C][O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1],O=C1COC2=CC(NC(=O)C3=N[NH1]C4=CC=CC=C34)=CC=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A54A0>,2.1460999999999997,0.6755661583479677,2.24057490500598,1.1372558867338585
[C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1],C1C=CC=C(NC=NC(C(=O)N2CC(C)OC(C)C2)=N)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5510>,1.45127,0.5966646675675736,4.445689738440359,-1.462366400602491
[C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][C][=C][N][=C][C][=N][C][=C][N][Ring1][=Branch2][Ring1][=Branch1],COCC(O)CN(C)CC1=CN=C2C=NC=CN12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5580>,0.16839999999999922,0.791468341055781,3.2235157819791462,0.7338259232997588
[N][#C][C][N][C][=Branch1][C][=O][C][=C][C][C][=N][N][Branch1][Ring2][C][C][C][C][=Ring1][Branch2][N][=C][Ring1][N][N],N#CCNC(=O)C1=CC=2C=NN(CCC)C=2N=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A55F0>,0.6768799999999998,0.7833496958648005,2.653779277341643,1.2629692019823597
[C][C][Branch1][C][C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CC(C)C(NC(N)=O)C(=O)N(C)CC1=CC=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5660>,1.4769999999999999,0.8573794046954553,2.493055731332568,1.7938412921447089
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],CCC(C)NC(=O)C(C)OC1=CC(F)=CC(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A56D0>,2.6468000000000007,0.8802534644814288,2.748545817142217,1.6527215052649273
[C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],CC1CCCCC1OCCS2C(NC(=O)C3CC3)=NC4=CC=CC=C42,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5740>,4.169300000000003,0.7744701466286017,4.398865070323051,-0.5265143371800427
[C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=N][Ring1][O][S][Ring2][Ring1][Branch1],CC1=NC=C(CNC(=O)CC2=CSC(N3CCCC3=O)=N2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A57B0>,1.8937199999999998,0.9046546729794221,2.5665629176263174,1.956710447270793
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=C][Ring1][=N],CCCNC(=O)C1=CC(C(C)C)=NC(NC(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5820>,3.1651000000000016,0.8285760342229511,2.2949484910358304,1.8479316800789256
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][=N][=O],COCCNC(=O)CN1CCN(C2=CC=CC=C2OC)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5890>,0.6998000000000009,0.7528430214534879,2.0875848956482947,1.6766302116191447
[C][C][Branch1][#Branch2][C][N][C][C][C][C][Ring1][Branch1][=O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2],CC(CN1CCCC1=O)NC(=O)C2=CC=C(Cl)C(N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5900>,1.6628999999999998,0.8296624146874187,2.5920739712059007,1.5562381022311929
[C][C][=N][O][C][=N][C][=N][C][Branch2][Ring1][Ring1][N][Branch1][C][C][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][F][=C][Ring2][Ring1][Branch1][Ring2][Ring1][C],CC1=NOC2=NC=NC(N(C)CC3=CC(C#N)=CC=C3F)=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5970>,2.5734000000000004,0.7389721138188424,2.6982449452760875,0.9966156238181245
[C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][O][Ring1][Branch2][=C][C][=C][Ring1][S][N],CC=NC(C(=O)NC1=NC(C(C)C)=NO1)=CC=CN,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A59E0>,1.5784999999999998,0.4762185949651608,3.9396737955955228,-1.558580820769719
[O][=C][Branch2][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1],O=C(CCNS(=O)(=O)C1=CC=CC=C1)NC2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5A50>,2.193999999999999,0.7877421046733173,1.8221013791647795,2.116609144201807
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],CCC(C)NC(=O)N(C)CC1=CC=C(C(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5AC0>,3.749900000000003,0.8608454523272139,2.3329311999642375,1.9712960616718318
[C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=N][Ring1][=C],COC(=O)COC1=CC(C)=NC(C2=CC=CC(O)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5B30>,1.7094199999999997,0.8546449188463345,2.2028751360507783,2.0703494581808943
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][=C][C][Ring1][Branch1][=C][C][Ring1][=Branch2],COC(=O)C=1C=CSC=1NC(=O)C2C=C3SC=CC3=CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5BA0>,1.8158,0.8781036387659454,3.6504505375053746,0.7400676563243529
[C][C][=C][S][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1],CC1=CSC(NC(=O)C(NCC2=CC=CC=C2)C3=CC=CC=C3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5C10>,3.921120000000002,0.7166422304902774,2.3787453254588264,1.2044658269925606
[C][N][Branch1][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P],CN(C)C1=CC=C(NC(=O)NCC2=CC=NC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5C80>,2.4693000000000005,0.8969876310078868,1.7985433257558103,2.686394829283624
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S],CCOC(=O)C1CCN(C(=O)CSC2=CC=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5CF0>,2.580400000000001,0.6194670588011333,1.8628959281244786,1.2344393658811876
[C][C][N][=C][Branch1][=C][C][=C][C][Branch1][Branch1][O][C][C][O][=C][S][Ring1][=Branch2][NH1][C][=Ring1][=C][C],CC=1N=C(C2=CC(OCCO)=CS2)[NH1]C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5D60>,2.1261399999999995,0.8574809901718508,2.7979023215021783,1.4895026293570757
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=N][N][=N][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Branch1][C],CC(=O)NC1=CC(C(=O)NC2=CC(C)=CC=C2N3C=NN=N3)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5DD0>,2.48984,0.7525563808820677,2.1226077824035965,1.6401741220067416
[C][C][=C][C][=C][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][P][O][C],CC1=CC=CC(SCC(=O)NC=2C=CN(C)N=2)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5E40>,2.4679200000000003,0.859846412439993,2.3030026085782502,1.9962294536217149
[C][=C][C][O][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring1][#C][N],C=CCOC1=CC=C(C2=NC3=CC=CC=C3O2)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5EB0>,3.6418000000000017,0.578158957107604,2.1452134081235332,0.7455813774144868
[C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2],CCC(=O)OCC(=O)NC1=CC=C(C(=O)OC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5F20>,1.3649,0.8128794596891744,1.645616399145819,2.418780899300053
[N][#C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Ring1],N#CCOC1=CC=C(CC(=O)OCC2=CC=C(F)C=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A5F90>,3.153080000000002,0.7679848388938709,2.0599305422046044,1.7799936522647504
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],CC1=NN(C)C(C)=C1CC(=O)N(C2CC2)C3CCC4=CC=CC=C43,<rdkit.Chem.rdchem.Mol object at 0x000002763F986040>,3.2579400000000023,0.8660255408959151,2.9023693995936473,1.427758304885928
[C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(NC(=O)CSC1=CC=C(F)C(F)=C1)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9860B0>,4.073400000000002,0.8396387852557222,2.342293515117463,1.855900411161148
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CCNC(=O)CNC(=O)C1=CC=C(Br)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986120>,1.3149999999999995,0.8761177876195071,1.6226253984252548,2.7579635396722804
[C][C][Branch1][C][C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][N][Ring1][#Branch1][O][Ring2][Ring1][#Branch1],C1C(C)CCC1C(=O)NCC2=CC(=O)OC3=CC(F)=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F986190>,2.9845000000000006,0.8868066714733565,2.9262557644660916,1.5077775929006911
[C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][N][=C][C][Branch1][C][C][=C][C][=Ring1][#Branch1][O][Ring2][Ring1][Ring2],CCCC(C(=O)NCC1=CC=CC=N1)=NN2N=CC(C)=CC2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F986200>,1.4200000000000002,0.7768836024338611,3.941163790638754,-0.05674577846944828
[C][C][C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][C][C][Ring1][Ring1],CCC(C)C(NC(=O)C1=CC=C(N2C=NN=C2)C=C1)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F986270>,2.8218000000000014,0.8917923332261147,3.2656741267489693,1.193287539381604
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C],CC1=CC=C(Cl)C=C1S(=O)(=O)N2CCOCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9862E0>,2.0578200000000004,0.837118513831411,2.604318496911274,1.5812740722457814
[O][=C][Branch2][Ring1][=Branch1][N][C][C][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(NCCNC1=CC(N2C=CC=N2)=NC=N1)C3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F986350>,2.1575999999999995,0.6704791459731237,2.272778738055951,1.0796169918096674
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],NC(=O)C1=CC=C(S(=O)(=O)NCCCC2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9863C0>,1.6965999999999994,0.7614263524338757,1.6913571040850215,2.115774658084357
[C][O][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N],COCCCC(=O)NCC1=CC=C(N2CCCC2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986430>,1.8561999999999999,0.7797605123143381,1.8946682358167841,2.0041343257549062
[F][C][=C][C][=C][NH1][C][Branch1][P][C][N][N][=N][C][=C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],FC=CC1=C[NH1]C(CN2N=NC=C2C3=CC=NC=C3)=NC1=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9864A0>,2.2226,0.9390698034751174,3.931496674494449,0.7638523428811377
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1][N][=Ring2][Ring1][Branch2],CCC1=C(C)N(C2=CC=C(Cl)CNC(=O)COC3=CC=C(F)C=C3)N2N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986510>,2.977100000000001,0.7143192107510352,4.0123659791387265,-0.44076992538355064
[C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O],CC1=CC=C(C2NC(=O)C3=CC=CC=C3N2)C=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F986580>,2.2526200000000003,0.8908929732442578,2.807794397841299,1.6466704683799902
[C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][S],CCC(C)OC1=CC=C(NC(=O)C(C)N2C=CC=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9865F0>,3.2601000000000013,0.886862715028596,2.789408121751963,1.6449054533910168
[C][C][Branch1][C][C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2],CC(C)CC(C)NS(=O)(=O)C1=CC=C2C(=C1)OCCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F986660>,2.5608000000000004,0.9071385540361678,2.6495236144284515,1.8861691557523876
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1],CCOC1=CC=CC=C1OC(=O)CSC2=NN=C(C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9866D0>,2.9429200000000018,0.46428211746986675,2.117655876363097,0.203754710986237
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][=C][Branch1][C][C][O][Ring2][Ring1][Ring2],COC(=O)C1=CC(NC(=O)C=2C=C(C3=CC=CC=C3)[NH1]N=2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986740>,3.0170200000000005,0.7186533727900212,2.437783935211737,1.155482928738369
[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][S][O][C],COC1=CC=C(C(=O)CCC(=O)NC2CC2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9867B0>,1.9452999999999998,0.7735961549019575,1.7631412499368935,2.104839524572894
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O],CC(C)(C)CC(=O)NC1=CC=CC(N2C=NN=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986820>,2.037,0.9150365293214592,2.192051846282137,2.3831308003251586
[C][N][N][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Branch1][C][Cl][C][Ring1][S][=O],CN1N=CC(NC(=O)C2(C)CCCO2)=C(Cl)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F986890>,0.9413,0.8688397687125542,3.3301056240698284,1.0140932194929428
[C][C][C][=N][C][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][=N][Ring2][Ring1][C],CCC1=NC=C(COC(=O)C=2C=CC(=O)N(C)N=2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986900>,0.4897,0.7539929035467288,2.4857050811057224,1.2842594366279214
[C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N],CC(C)C(C)NC(=O)C=1ON=C(C2=CC=CC=C2)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F986970>,2.6981,0.8970096198960694,2.803265579597509,1.6817825198828382
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][Ring1][P],COC1=CC=C(C(=O)C2CCCN2S(C)(=O)=O)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9869E0>,0.6969000000000001,0.7605437830482321,2.80610941089358,0.9966095043475809
[O][=C][Branch1][S][C][C][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O][C][C][Ring1][Branch1][N][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2],O=C(CCCN1N=CC=CC1=O)NC2C(O)C3CCCCC3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F986A50>,1.0793,0.8503959139680881,3.6228101286279024,0.6291694412125377
[C][C][N][=C][Branch2][Ring1][Ring1][C][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][O][C][=Ring1][P][C],CC=1N=C(CN2CCN(C3=NC=CS3)CC2)OC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F986AC0>,2.07014,0.8598006569622025,2.42543691555249,1.8735663692585227
[C][N][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1],CN1C(NC(=O)CCC2=CC=CN=C2)=NC3=CC(Cl)=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F986B30>,3.1930000000000014,0.8042146986974933,2.1248288516922518,1.8962446417952146
[O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],O=C(CC1=CC=CC(O)=C1)NCC2=C(Cl)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F986BA0>,3.557900000000002,0.9069748617616012,1.8823317294573716,2.6525425793506345
[O][=C][Branch2][Ring1][=Branch2][C][=C][N][=C][Branch1][#C][C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][N][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1],O=C(C1=CN=C(CN2CCCC3(C2)OCC)O3)C1N4CCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F986C10>,1.1746999999999994,0.7283503627557553,5.585606113655161,-1.943854299876385
[O][=C][Branch1][S][N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F],O=C(NCCC1=C(F)C=CC=C1F)NCC2=C(F)C=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F986C80>,3.2849000000000013,0.8136009478800329,2.1003496287430643,1.9676551106571
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring1],CC1=NC(C)=C(C(=O)NC2=CC=CC(NC(N)=O)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986CF0>,2.50284,0.8097372801296319,1.9866433478389904,2.0620430528091687
[C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1][=C][C][=C][Ring1][S][N][C][=C][N][=C][Ring1][Branch1],CC1=CC(NC(=O)C2CC3CCC2O3)=CC=C1N4C=CN=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F986D60>,2.686720000000001,0.947357203395032,4.18369138056039,0.5530946364147704
[C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2],CCN(CC1=CC=CS1)C2=CC=CC(C(F)(F)F)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F986DD0>,4.188400000000002,0.8375396255101929,2.430318029155867,1.7573800983950978
[C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1],CCOC(=O)NC1(C2=CC=CC=C2)CC1NC(=O)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F986E40>,1.9264999999999999,0.8696361530571232,3.2888975611261486,1.0592832041594669
[C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][N],CN(C1=CC=CC(C(F)(F)F)=C1)C2=CC=CC(N3CCCCC3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F986EB0>,4.858600000000004,0.7984936531073323,2.2845497723158097,1.707918493220852
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Branch1],C1OC=CC=C(F)C1NC(C)C(=O)NC2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F986F20>,2.6473000000000004,0.8984817268981696,3.6420856997872484,0.8503229347036001
[C][S][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][=N][Ring1][N][=C][Ring2][Ring1][Ring1],CSC1=CC=CC(CN2C=C(C(=O)NC(C)CC)C=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F986F90>,3.1816000000000013,0.8337738154059253,2.621747995132493,1.5471210818971333
[C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],COC1=CC(CO)=CC=C1OCC2=CC=C(C#N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F988040>,2.638180000000001,0.905973149119884,1.7797004107760532,2.7501653348233672
[C][C][S][C][=N][C][C][=C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=Ring1][P][C],CCS=1C=NCC=C2N(C3CCCCO3)C(=O)C2C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9880B0>,2.3783000000000003,0.5794427399657873,5.2068814514001955,-2.3096677515712587
[C][N][C][Branch2][Ring1][C][N][C][C][C][C][C][C][Branch1][Ring2][O][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1],CN1C(N2CC3C4CCC(O4)C3C2)=NC5=CC=CC=C51,<rdkit.Chem.rdchem.Mol object at 0x000002763F988120>,2.1868999999999996,0.7947224608785753,4.376679181463319,-0.4030668770704424
[O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CSC1=CC=C(Cl)C=C1)NCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F988190>,3.1435000000000004,0.8609761521182013,1.806360272195846,2.498520488395161
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1],CC1=CC=CC2=C1C=NN2CCC(=O)NCC3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F988200>,2.4462200000000003,0.7860102351519979,2.1166358571867576,1.8134153185732318
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F],COC1=CC=CC=C1CCNC(=O)NC2=CC=CC(OC)=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F988270>,3.2071000000000005,0.8596404640489076,1.8759066368791615,2.422295683365377
[C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][C][C][O][Ring2][Ring1][Ring1],C1CCCCN1C(=O)CCN2C=CC=CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9882E0>,1.2509000000000001,0.7896071442943616,1.946161401306803,2.001874320165005
[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][N][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2],C1OC(=O)CC=C(N)N1C2=CC=CC=C2NC(=O)N(C)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F988350>,2.0711999999999997,0.8298349361003252,2.9292582825892186,1.2199163979124075
[C][N][C][=N][N][C][=Branch1][=Branch2][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][P][=O],CN1C2=NNC(=C1C(C)C)CC3=CC=CC=C3NC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9883C0>,1.8973,0.8191540534504391,4.206793625592967,-0.1110233583407716
[C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring1],CNC(=O)CN1CCN(C(=O)C2=C(Cl)C3=CC=CC=C3N2CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988430>,1.7759,0.9158824328049434,2.595178843025609,1.9842333209991079
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=C(C(=O)NC2=CC=C(C)C(S(C)(=O)=O)=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9884A0>,2.668020000000001,0.8973437902145597,1.789683691563983,2.697035259508815
[C][C][=C][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=N][O][Ring1][S],CC1=CC(CS(=O)(=O)C2=CC=C(O)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988510>,1.66252,0.8993419314813891,2.170223373984582,2.326486283422364
[C][O][C][C][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][S][Ring1][N],COCCNC1=NC(C2=CC=C(C)C=C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988580>,3.176820000000002,0.8251873999007729,1.8869026885909488,2.239034310912916
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Br],CCS(=O)(=O)NC1=C(C)C=CC=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9885F0>,2.519120000000001,0.9230294631864758,2.181371645983198,2.4337756699491813
[C][C][=C][C][=C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][F],CC1=CC=C(C2=NN=NN2C3=CC=CC=C3)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F988660>,2.7768200000000016,0.705920186021465,1.9248606917762654,1.6047402383310594
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][=C],CS(=O)(=O)C1=CC=C(OCC2=CC=CS2)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9886D0>,3.384000000000002,0.8693182338158085,1.980396964453453,2.3661942046255895
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O][=C][Ring2][Ring1][Branch1],COC=CC=CC(N1CCC(=O)NC(C)C2=CC=CC=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F988740>,2.181,0.454435989565159,3.724596092327344,-1.4524161445015489
[C][C][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][N][=C][Branch1][Ring1][C][#N][C][=Ring1][#Branch1][N],CC1(C)CCCN1C(=O)C=2SN=C(C#N)C=2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9887B0>,1.61158,0.8204111729705966,3.2377739397000873,0.8642819251528957
[C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C],CCC1=CC(=O)[NH1]C(C(=O)C(C#N)C2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988820>,2.4273800000000003,0.8635427993700991,2.9560262838932143,1.3616877129572815
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],CCCNC(=O)CNC(=O)CN1N=C(C)C2=CC=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F988890>,0.34731999999999985,0.8038889599192531,2.003556359512295,2.0158884400839705
[C][S][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Branch1],CSC1=CC=CC(NC(=O)CCC(=O)NC2=CC=C(C)C=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988900>,3.4693200000000015,0.7961722858172995,2.0042264001927688,1.9766350288937287
[C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][O][Ring2][Ring1][Ring1],CC1=CC(C(=O)NC(C)C(=O)N2CCOCC2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988970>,0.8735400000000002,0.8916201252323596,2.6328546705065996,1.8252459556551983
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][Ring1][C][O][NH1][C][Ring1][#Branch1][=O],COC1=CC=CC=C1NC(=O)CSC=NC=C(CO)[NH1]C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9889E0>,0.9748999999999997,0.357189647508983,3.357355367112315,-1.5714071295673997
[C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],CC(=O)NC(C1=CC=CC=C1)CN2CCC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F988A50>,2.9221000000000013,0.9400981991545,2.361778110798422,2.338712884974078
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C],CC(C)(C)C1=CC=C(C(O)C2CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988AC0>,4.597800000000004,0.8083755910282152,2.3985314199881973,1.6433465351528787
[C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring2],CC1=CC(NC(=O)CNC2=CC(C3=CC=CO3)=CS2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988B30>,3.355120000000001,0.755180927974284,2.7357265964725226,1.0401780433988979
[C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch1][=C][Ring1][N],COC(=O)C=CSC(CC1NC(=O)C1)=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F988BA0>,1.1985999999999999,0.4353870264685842,3.9910284974155834,-1.8140933650726625
[C][C][=C][C][Branch2][Ring1][N][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=N][O][Ring2][Ring1][Ring2],CC1=CC(CN(C)S(=O)(=O)C2=CC=CC(C(N)=O)=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988C10>,0.9026200000000002,0.8828585548379602,2.2082306649665817,2.206062109223219
[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][Ring1][S],CC=1OC=CC=1C(=O)NC2CCCC3=NC(C4=CC=CC=N4)=NC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F988C80>,3.2474200000000017,0.7950152234460168,2.9704952976123344,1.0045808196177495
[C][C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][C][Branch1][C][C][O][Ring1][P],CCC1N(CC2=CC=CC=C2OC(F)F)CC(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988CF0>,3.2448000000000023,0.8202685857319781,3.3360844689273588,0.7652584597325323
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][N][=Ring1][=Branch2][C][Ring1][S],COC1=CC=C2C(=C1)CCN(C=3C=CC4=NN=NN4N=3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F988D60>,1.0905999999999998,0.7006225206952595,2.4952448611269578,1.0078677423493398
[O][=C][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][C][Ring1][O],O=C(CC1=C(F)C=CC=C1F)NC2CCC(N3C=NN=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F988DD0>,2.3989000000000003,0.9408730942100045,2.549495717029778,2.154869754020245
[O][=C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1],O=C(OCCC1=CC=CC=C1)C2=CC(Br)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F988E40>,3.9101000000000026,0.8003204040663816,1.9794741171623755,2.0221279031695323
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=C],CC(C)S(=O)(=O)N1CCC(C(=O)NC2=NC=CS2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988EB0>,1.5317999999999994,0.9131514473081139,2.3235127184683613,2.2422445180722086
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][N][=C][Ring1][#C],CC(=O)NC1=CC=C(SCC2=CC=CC(C)=N2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988F20>,3.0357200000000013,0.869924214974031,2.1681335589091315,2.181487515961024
[C][N][Branch1][P][C][=Branch1][C][=O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2],CN(C(=O)CCOCC(F)(F)F)C1=CC=CC(C(N)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F988F90>,1.7172999999999998,0.8132994737086572,2.3257837303222804,1.7407136382210053
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1],CC(C)(C)NC(=O)CNC(=O)C1=CC=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982040>,1.3925999999999994,0.838557918847825,1.9979141283000317,2.194875465939093
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring1][=N][N][=C][Ring2][Ring1][=Branch1],CC1=CC=C(NC(=O)C2=CC=C(CSC3=NN=CS3)C=C2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9820B0>,3.786120000000002,0.714655234484542,2.21721417021838,1.3560620022043302
[C][O][C][C][N][C][C][N][Branch1][=C][C][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][C][Ring1][#C][=O],COCCN1CCN(CC2=NN=NN2C(C)C)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F982120>,-0.45539999999999936,0.7028514345782902,2.6425844767101196,0.8716726961813315
[C][C][O][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][#C],CCOCC1=CC=C(C(=O)C2=CC=C(N)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982190>,3.0363000000000007,0.6596444172493129,1.7036463794219543,1.5945757068246103
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][C][O][Ring1][=Branch1],CC1=CC=CC(C)=C1NC(=O)N(C)CC2COCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F982200>,2.1825400000000004,0.921712181550295,2.734688097080026,1.8738728106714486
[C][C][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CCC1CCCCC1NS(=O)(=O)C=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F982270>,1.6671999999999998,0.9056448696369781,3.1393300863729863,1.3888942618119042
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl],CC(C)(C)NC(=O)CNS(=O)(=O)C1=CC=NC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9822E0>,0.9280000000000003,0.8658686599467801,2.41192709737067,1.9174162023632304
[C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring1][#Branch2][N][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],COC1=CC=C(C(C)(C)O)C=C1NC(C)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F982350>,3.4907000000000012,0.8831207906326703,2.6199596886990086,1.795644264464343
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][C],CC=1C=C(C)N(CC(O)COC2=CC=C(F)C=C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9823C0>,2.07894,0.8990577909757177,2.4292806066064294,2.0660083482721587
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C],CC(=O)NC1=CC=C(CSC2=CC=C(F)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982430>,4.076400000000002,0.8519320357053168,1.644346379421954,2.61531379910463
[O][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][N][C][C][C][N][Branch1][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S],O=C(C1CCCO1)N2CCCN(CC=CC3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9824A0>,2.413100000000001,0.855466732378423,2.6252009886895724,1.6521326732025425
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],CCCCNC(=O)CN1C(CO)=NC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F982510>,1.4448999999999999,0.7732748131498919,1.9483412512168243,1.9180328145326353
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C],CN(C)C(=O)C1=CC=C(NC(=O)COC2=CC=C(Cl)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982580>,3.0593000000000012,0.9151001904493251,1.6245049172046038,2.9509960350420217
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C],COC1=CC=C(C2=CCN(C3=NC=CC=N3)CC2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9825F0>,2.719500000000001,0.8453815000346292,3.80586952944077,0.42103797073237637
[N][#C][C][=C][C][=C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1][=N][Ring1][#C][N][=C][Ring2][Ring1][Branch1],N#CC1=CC=C(C=NOC(CCC(=O)N2CCC(O)C2=N)N)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982660>,0.40435,0.3700088105793528,4.853615356431828,-3.0035713035350637
[C][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2],CCOC(=O)COC(=O)C1=CSC(C=2C=CSC=2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9826D0>,2.591500000000001,0.7936171445887589,2.290466892242467,1.6776188307013276
[C][S][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][N][Ring1][#C][C],CSC1=NC=C(C(=O)NC2=CC=NC(C)=C2)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F982740>,2.09772,0.8605048333037986,2.5193778875303767,1.7831462789886157
[C][C][=N][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Branch1][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NN(CC(=O)NCC2CC2)C(C)=C1NC(=O)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9827B0>,2.27844,0.8548799913904738,1.991211678846506,2.283188278105863
[C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C],CCOC(=O)CCC(C)NS(=O)(=O)N(C)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F982820>,0.8928000000000007,0.670059338172328,2.877831205941373,0.4724654849202672
[C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2],CC1CN(C2=NC=NC(NCC3=CC=CO3)=C2C)C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982890>,2.5612200000000005,0.932561164614249,3.5753092038901633,1.0874966191810813
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][Branch1][C][Br][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=C(C(=O)NC2=CC=CC(NC(C)=O)=C2)C(Br)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F982900>,3.6770000000000014,0.8128450384924921,1.9620852515424652,2.1021399409199955
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][C][C][Ring1][=Branch2],CC1=NOC(C)=C1CNC2=NC3=C(C(=O)[NH1]2)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F982970>,1.8656399999999997,0.8922231469248195,2.752565188103988,1.7085505465201098
[C][C][=N][NH1][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Br],CC1=N[NH1]C=C1NC(=O)C2=CC(Cl)=CC=C2Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9829E0>,3.3863200000000013,0.892456023540038,2.5769674001711618,1.885312717529028
[C][C][Branch1][P][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1],CC(NCC(=O)NC1=CC=CC=C1Cl)C(=O)N2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F982A50>,2.2691,0.8735281870529856,2.3484232022996636,2.0192177329652647
[N][#C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][Ring2][Ring1][Branch2],N#CC1=CC=C(CNC2=CC3=CC=C2C(=O)C(=O)C4=CC=CC=C43)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982AC0>,3.6349800000000014,0.5791357193008329,2.9058927652293463,-0.010214168725181771
[C][C][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C],CCCC1CCC(NC(=O)CC(C)(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982B30>,3.897700000000003,0.7918118009269752,2.114998354415807,1.8440606502190695
[C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C],CCN(C(=O)C1=CC=CO1)C(C)C(C)C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F982BA0>,3.812400000000003,0.8149068397827818,3.3898311076495826,0.6847030912643266
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][N][C][C][=C][C][=Branch1][C][=O][NH1][N][=Ring1][#Branch1][C][=C][Ring1][=N],CC(C)OC1=CC=C(C=2C=CC(=O)[NH1]N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982C10>,2.2241,0.8791848142400724,1.9687329279944024,2.4271911432059596
[C][O][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1],COCC1=CC(C(=O)NC2=CC=CC=C2O)=NN1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F982C80>,2.9766000000000012,0.7078100572330973,2.1143304628528945,1.424719823312592
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][Ring1][Branch1],O=C(C1=CC=CC=C1)C=C(C2=CC=CC=C2)N3C=NC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F982CF0>,3.050200000000001,0.542858820659984,2.334006399588496,0.3802877037114243
[C][C][C][Branch1][Ring2][C][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2],CCC(CCO)CNC(=O)NC1=CC=C(OC)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982D60>,2.878700000000001,0.7249254501986067,2.5063536914856233,1.11827355950741
[C][C][C][N][C][Branch1][Branch1][S][C][C][#N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=O],CCCN1C(SCC#N)=NC2=CC=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F982DD0>,2.42218,0.6247088598625259,2.1271167834579785,0.9964275158546512
[C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2],CCNC(=O)CSC1=NC=C2C=C1OC(C)(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F982E40>,2.0233,0.8471713877407642,3.7226463940652934,0.5132105446385271
[C][O][C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][Branch1][C][C][S][C][Ring1][=Branch1][=C][Ring1][#Branch2],COCCNC(=O)CN1N=C(C2)C=C(C)SC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982EB0>,1.3027000000000006,0.7629617159572366,4.59478060221009,-0.7799720224239071
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(CCNC(=O)NC(C)C2=CC=CN=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F982F20>,2.693100000000001,0.8617540301627712,2.262529724809413,2.0462404260044424
[O][=C][Branch1][=Branch2][N][C][C][=C][NH1][N][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(NC=1C=C[NH1]N=1)C2CC2C3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F982F90>,2.805300000000001,0.892607988704806,3.3703342047161806,1.0927057388078492
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=C],COC(=O)C=CC1=CC(=O)NCC(C)(O)C(C)(C)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0040>,0.5230999999999997,0.5699922773818313,4.500617147680082,-1.650655760770925
[C][O][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C],COCCCN(C)C(=O)NC1=C(C)C=C(C)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B00B0>,3.1120600000000014,0.8302071813457036,2.0656724729362814,2.085363433792237
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1],CC1=NN(C)C(C)=C1C(=O)OC(C2=CC=CC=C2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0120>,3.345040000000002,0.8087348944981448,2.7074172483807057,1.3362572241100183
[C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][N][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1],CCN(C(=O)C=CN(C1=CC=CC=C1)N=CC(C)C)CC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0190>,3.9070000000000036,0.4143243486765142,3.107951551819988,-1.0363298084374168
[C][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][=C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1],CCN1C(=O)CC2=CC(C(C)NC3=CC=CC=C3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0200>,3.7687000000000026,0.9243037753490708,2.488296691351529,2.1332221853938247
[C][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C],CCCOC(=O)C1CCN(C(=O)C2=CC=CC(C)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0270>,2.8004200000000017,0.800738349331942,1.8185098525051817,2.1851818941545282
[C][C][N][Branch1][Branch2][C][C][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2],CCN(CC(C)C#N)C(=O)CNC1=CC(C)=CC(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B02E0>,2.7235200000000006,0.8667073448926528,2.835888097080028,1.497648627383236
[C][C][C][Branch1][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1][C][Branch1][C][N][=O],CCC(C)(NC(=O)C1=CN=C2C=CC(C)=CN12)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0350>,1.0265199999999999,0.8720875985049923,3.1048778406697712,1.2555601518551898
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2],CC(=O)N(C)CC(=O)NC1=CC=C(C)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B03C0>,2.0652199999999996,0.8977557005649126,1.8191496587636333,2.66962884406093
[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2],O=C(NCCC1=CC=C(F)C=C1)CC2=CC=C3C=N[NH1]C3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0430>,2.6033999999999997,0.7602880442918515,2.0108793668021416,1.790560854657116
[C][C][C][C][N][C][Branch1][C][C][=C][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][N][C][=Ring1][S][C][O],CCCCNC(C)=CC1=NC(C=CC2=CC=CS2)=NN1CCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B04A0>,3.252800000000002,0.6920104767522443,3.2211600526941133,0.23889233106710783
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][=C][C][=C][Ring1][=C][O][C],CCCNC(=O)C=CC(C1=CC=C[NH1]C1=O)C=COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0510>,1.7009999999999998,0.5879517058619986,3.6722977124646423,-0.7325391831546493
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],CC(C)CCNC(=O)C(O)C1=CC=CC(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0580>,2.5357000000000003,0.849562851040792,2.4379231644656,1.8098910907383603
[C][N][C][=N][C][Branch2][Ring1][Branch1][C][S][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][C][=Ring1][=Branch2][C][Branch1][C][C][C][=N][S][Ring1][P],CNC1=NC(C=2SC(CC(C)C)=NC=2C(C)C)=NS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B05F0>,4.025200000000003,0.9049009280387866,3.1584897719268845,1.3660148682670483
[C][#C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=N],C#CC1OC(=O)C2SC(N)C=C2CCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0660>,1.0419,0.3786076328013211,5.167600799104173,-3.274562635097568
[C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1],CCCCOC1=CC=CC=C1OCC2=NC(C)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B06D0>,3.1359200000000014,0.7173524830157982,1.9502646078601806,1.6364978072188103
[C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][O][N][=Ring2][Ring1][C],CC=1C=C(C(=O)NC2=CC=C(NC(C)=O)C=C2)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0740>,2.19372,0.8844634743631614,1.8407696982414983,2.581547673574309
[C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][C][Ring2][Ring1][C],C1CCCCN1C(=O)C(C2=CC=CC=C2Cl)N(C)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B07B0>,3.3453000000000026,0.8501225486995069,2.5948369981789288,1.6557757453186053
[C][C][C][C][O][C][C][N][Ring1][=Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],CCC1COCCN1CC(O)C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0820>,1.9699000000000004,0.8901852381057843,2.991569742481584,1.4593564480473376
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2],CCCN(CCC)C(=O)C1=CC=C(O)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0890>,3.307800000000002,0.8769983348617171,1.952986314282029,2.4320053600265563
[C][C][=N][S][C][Branch1][S][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][C][=N][Ring1][=C],CC=NSC(NC(=O)NC(C)C(C)C)C=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0900>,2.04467,0.3797012554290257,4.685869113751381,-2.7873628366062526
[C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][#C][O][C],COC1=CC=C(CNC=2C=NN(C)C=2)C(Br)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0970>,2.8119000000000005,0.9178713795608919,2.3662364616667535,2.223120436137706
[N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],NC(=O)COC1=CC=CC(Br)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B09E0>,1.3131999999999997,0.8505364871403908,1.6970296732959493,2.5556527624060044
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][Ring2][C][O][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(C(COC)NC(=O)C=2SC(C)=NC=2)CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0A50>,2.612920000000001,0.8750968728589419,3.725939083192964,0.6495452811017453
[C][C][C][=C][Branch1][C][C][N][C][Branch1][#C][S][C][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][#C][N][=Ring2][Ring1][Ring1],CCC1=C(C)N2C(SCC(C)C3=CC=CC=N3)=NN=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0AC0>,3.2190200000000013,0.7351166429256215,3.605473614428451,0.07010960019965662
[O][=C][Branch2][Ring1][=Branch2][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][N][C][C][C][C][C][Ring1][Branch1],O=C(CC1C=NC(C2=CC=CC=N2)=NN=CS1N)C3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0B30>,2.2488,0.8287013166353647,4.574226837488085,-0.43072025431126093
[N][#C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C],N#CC1=CC=C(NC(=O)CCSC2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0BA0>,3.6791800000000014,0.8510680436576793,1.7748646017574856,2.480475616530911
[C][C][=C][S][C][Branch2][Ring1][O][C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][=N][Ring2][Ring1][Ring1],CC1=CSC(CN2C=C(C(=O)N(C)C(C)(C)C)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0C10>,3.171820000000002,0.870884050323922,2.8563824620581038,1.498037789561506
[O][=C][Branch1][S][N][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1],O=C(NCCOC1=CC=CC(Br)=C1)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0C80>,2.2895000000000003,0.819646039862929,1.853844466455941,2.2443857328587047
[C][C][Branch1][C][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][Ring1][=N],CC(C)C1C(C2=CC=C(Cl)C=C2Cl)NCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0CF0>,4.300000000000003,0.8334501147164439,3.2211334993657665,0.9461170742164526
[C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1],CC1=CC=C(NC(=O)C2=CC=NC=C2)C3=CC=CN=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0D60>,3.190520000000001,0.7721284439068139,1.8556497476460798,2.0049924718879897
[O][=C][Branch1][=C][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][O][C][Ring1][Branch1],O=C(CCCOCC1=CC=CC=C1)NCC2CCOC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0DD0>,2.1361,0.7405603588431473,2.412465802425528,1.2903359917902089
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][C],CCN(CC)C(=O)C(C)SC1=NN=NN1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0E40>,1.6029999999999998,0.7353849267881493,2.9618088815266574,0.7151157524140888
[C][C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],CCN1N=CC(Br)=C1C(=O)NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0EB0>,2.1885000000000003,0.9409170732825083,2.345351197225172,2.359234169187369
[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1],NC(=O)NC1=CC=CC(F)=C1NC(=O)C2CC=CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0F20>,2.221,0.7303949159096248,2.4705476372835893,1.181426942264535
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][C][S][C][=N][N][=C][Branch1][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][#C],CC(=O)OC1=CC=C(CSC2=NN=C(C)C2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B0F90>,2.2022000000000004,0.6266678011850687,2.740466650345999,0.39287235557934475
[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],CCOC(=O)CNC(=O)CC1CCC(C)C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F995040>,2.7369000000000003,0.8479802285968643,2.974977091765,1.264924051219321
[C][C][=C][C][Branch1][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1],CC1=CC(C)=C(NC(=O)NCC2=CC=NC=C2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9950B0>,3.328560000000002,0.8976336972677667,1.8990039822046256,2.5891645041342075
[C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],CN(CC1=CSC=N1)C(=O)CC2=C[NH1]C3=CC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F995120>,2.825500000000001,0.8010410198795795,2.315380251624859,1.689824847773039
[C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][#C][C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][P],CC1=CC(C#N)=C(CNCC2=CC=C(Cl)C=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995190>,3.871400000000002,0.9200626578802308,2.391412711059788,2.2089005783413658
[C][O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][Ring1][#C],COC1=NN(C)C=C1CCCN(C(=O)CCC2CCCC2)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F995200>,2.7901000000000007,0.7417440594971537,2.544930056938618,1.1637902405471503
[C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][C][Branch1][C][C][C],CC1=CC(S(=O)(=O)N2CCN(C)CC2)=CC=C1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F995270>,2.0545199999999997,0.8569984730662082,1.9720337441093854,2.3129586212216555
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1][C][S][C][=N][C][=Ring1][Branch1][C],CC1=CC=C2C(=C1)CCNC2C=3SC=NC=3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9952E0>,2.9950400000000013,0.8338764176964804,3.159507486354891,1.0098746021275105
[C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],CCNC(=O)CN(C)S(=O)(=O)C1=CC=C(N)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995350>,0.02540000000000131,0.7386934272245275,1.9706711952226854,1.7227959408999518
[Br][C][=C][C][=C][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][P],BrC1=CC=CC(C2=NN=NN2CC3CCCO3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9953C0>,2.2816,0.8726871348191525,2.7365205288416057,1.6269151452541566
[C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],CCCNC(=O)CC(C#N)C1=CC=C(Cl)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995430>,3.5168800000000022,0.899504503800715,2.7454729710086045,1.7520495479949707
[C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][S],CC1=CC(C(=O)NC2=CC=C(Br)C=C2Cl)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9954A0>,3.6512200000000012,0.9200193285745651,1.9916757471433382,2.6084208957294877
[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][Ring1][P],NC(=O)NC1=CC=CC(NC(=O)C2=CC=CC(Cl)=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995510>,3.736300000000001,0.8034191838666707,1.8010446814401266,2.216051237893227
[C][C][C][=N][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C],CCC1=NOC(CC)=C1CNC(=O)C=2SC=NC=2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F995580>,2.494320000000001,0.9127016984488733,2.8325200610862,1.730988431158167
[C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Ring1][S][C],CC1=NN(CC2=CC=CC=C2)C(=O)C(C#N)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9955F0>,1.78012,0.8022105634399309,1.9588606567611464,2.0521921604385085
[N][#C][C][=C][C][=N][C][Branch2][Ring1][C][S][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],N#CC1=CC=NC(SCC2=NN=NN2C3=CC=CC=C3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995660>,2.22128,0.6863229510350415,2.3864431241542547,1.0451716310209527
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2],O=C(NC1=CC=C(OC2=CC=CN=C2)N=C1)C3=CN=C4C=CC=CC4=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9956D0>,3.4644000000000013,0.610132966545464,2.178774344608515,0.8718904881188054
[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][N][C][C][C][Ring1][Ring2],CC(=O)NC1=CC(Cl)=C(Cl)C=C1N2CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F995740>,3.161900000000002,0.8842470681556177,1.94545008536622,2.4757852554118687
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],CCN1C=NN=C1CCNC(=O)C2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9957B0>,1.0416999999999994,0.892658128146327,2.3025507610329115,2.160739879698723
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1],CC1=CC=CC(OCC(=O)N2CCCC2CN3N=C(C)C=C3C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995820>,2.2733600000000003,0.8446687934681536,2.919341757262318,1.3040022100784503
[C][N][Branch1][C][C][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl],CN(C)C(CC(N)=O)C1=CC(Cl)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F995890>,2.4715000000000007,0.9044906806147842,2.7301350627512075,1.7923183403227139
[O][=S][=Branch1][C][=O][Branch1][Branch2][C][C][=C][NH1][C][=Ring1][Branch1][N][Branch1][Ring2][C][C][O][C][C][C][C][C][C][Ring1][=Branch1],O=S(=O)(C=1C=C[NH1]C=1)N(CCO)C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F995900>,1.3304,0.8489918023839962,2.6427231182996067,1.6022358936203744
[C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],CCCN1N=NN=C1CN2C(C(C)C)=NC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F995970>,2.6045000000000007,0.7222394035039613,2.3220274665860146,1.2891695509337922
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(C)C1=CC=C(C#N)C=C1OCC(=O)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9959E0>,3.0941800000000015,0.9193478870117098,2.074437749246311,2.522301685812238
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1],O=C(C1=CC=CC(F)=C1)N2CCOCC2C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F995A50>,2.0766999999999998,0.8027622524638797,2.6082334290379716,1.405577833281427
[C][#C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2],C#CCN(CC1=CC=CO1)C(=O)C2=CC=C(C(C)C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F995AC0>,3.7401000000000035,0.7849030387199772,2.688195190995833,1.2363200026040535
[C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][O][C][C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][#C][C][C][C][Ring1][Ring1],CC1=CC(C(=O)CCOCC(C)C)=C(C)N1C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F995B30>,3.685240000000003,0.5547642887584191,2.348915911850309,0.4249055319417865
[C][C][O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][C][N][C][Ring1][Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1],CCOC1=CC=C2C(=C1O)CCNC2C3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F995BA0>,2.4210000000000003,0.8990678120620215,2.919679874268356,1.5756591860417517
[C][C][Branch1][C][C][N][C][=N][C][=N][C][Branch1][#C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][=C][=C][Ring1][P],CC(C1)NC2=NC=NC(OC3=CC=C(Br)C=C3C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995C10>,3.0340000000000016,0.7985432340561649,5.483585773716333,-1.4908696034355087
[C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2],C1C=CC=C(CNC(=O)CNC(=O)CC2=CC3=CC=CC=C3O2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995C80>,2.4840999999999998,0.8573676102781845,2.6271196171768327,1.6597184342140903
[O][=C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1],O=C(CC1=C[NH1]C2=CC=C(Cl)C=C12)N3CCC(O)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F995CF0>,2.3471,0.8925470678931035,2.139234014014919,2.3235013254505983
[C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1],CCN=C(C1=CC=C(F)C=C1)S(=O)(=O)C2=NC=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F995D60>,2.1667,0.6958789888529807,2.7851123206974204,0.6942826235674833
[C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][O][C][#N][C][C][C][Ring1][Ring1],CN(C(=O)C=1COC2=CC=C(F)C=C2C=1C#N)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F995DD0>,1.97358,0.8165560492230238,2.8119711328736283,1.2708091132414907
[C][N][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][P],CN1C=CC(CNC(=O)CCC2CCCCC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995E40>,2.3968,0.8706829806359062,2.1861018165244577,2.1673130866550734
[O][=C][Branch2][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CS(=O)(=O)C1=CC=CC(F)=C1F)NCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F995EB0>,2.0549000000000004,0.915057210623161,1.9844287796331628,2.5908572734826425
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)C1=CC=CC=C1NC(=O)C2=CC(C3CC3)=NN2C4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F995F20>,5.1254000000000035,0.6970040743508513,2.0982735643077355,1.3867468074465212
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][S],CNS(=O)(=O)C1=CC=C(OC2=CC=CC(C)=C2)C(C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F995F90>,2.567100000000001,0.9410365762757148,2.0726226655250084,2.632560215853566
[C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring1][S][O][C][O][C][Ring1][=Branch1],COC1=CC(CO)=CC(C2=C(F)C=CC=C2Cl)=C1OCOC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA040>,3.6297000000000024,0.8234929445376052,2.3291866610959637,1.7882780615920622
[C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][=C][=C][C][=N][Ring2][Ring1][#Branch1],CC1=CC(NC(=O)C2=CSC(COC3=CC=CC(F)=C3)=N2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA0B0>,3.8169200000000023,0.7648641911248972,2.197555880913095,1.6267650747113915
[C][C][Branch1][Ring1][C][#N][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N][C][C][C][C][Ring1][Ring2],CC(C#N)(NC(=O)C=1C=CN(C2=CC=C(F)C=C2)N=1)C3CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA120>,2.8235800000000015,0.9433892916656,2.893942363123962,1.8230040952040385
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][=C][Branch1][C][O][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][#Branch2][Ring1][=C],O=C(C1=CC=CC=C1)NC2CCCC3=C(O)N=C(C4CC4)N=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA190>,2.867000000000001,0.9139228175598936,2.9432903963407444,1.6263236914587234
[C][C][=C][C][=C][Branch2][Ring1][#C][N][C][C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][P][=O][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(N2CCN(CC(=O)NC(C)CC(C)(C)C)CC2)OC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA200>,2.876500000000001,0.830538209952662,3.6012312301729237,0.5514598195903861
[C][C][=C][S][C][Branch1][P][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][=O][=N][Ring1][P],CC1=CSC(COC2=CC=CC3=C2CCC3=O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA270>,3.1594200000000017,0.8495837222224693,2.296551520666471,1.951367090445875
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2],CC(C)(C)OC(=O)NCC1=NC(C2=CC=CS2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA2E0>,2.822800000000001,0.9356370387123326,2.260067811449046,2.4181173821126167
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1],CCOC1=CC=CC=C1CNC(=O)CC2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA350>,2.3392,0.8762091416649729,1.7525102250996607,2.6285354832252033
[C][C][C][C][N][N][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Branch1][Ring1][C][#N][C][Ring1][S][=O],CCCCN1N=CC(C2=CC=CC(OC)=C2)=C(C#N)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA3C0>,2.5906800000000008,0.8454561871804191,2.2243781706277375,2.0029027652743583
[C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][Br],CCN(CCO)C(=O)C1=CC(OC)=CC=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA430>,1.9121,0.9037254926674483,2.010574274148249,2.508053189188992
[C][C][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],CCN(CC(O)C1=CC=C(C)C=C1)C(=O)C2=CC=C(N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA4A0>,2.77292,0.8341407925123888,2.3988788871225086,1.7718250754394358
[C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring1][=C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O],CC1=CC(NC(=O)C2=CC=CS2)=CC=C1N3CCCS3(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA510>,2.848720000000001,0.9370698390557852,2.329845689692961,2.3555035055859648
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N],CCN(CC)C(=O)C1=CC=CC=C1NCC2=NOC(CC3=CC=CC=C3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA580>,3.754500000000002,0.6589585034199396,2.19389223402737,1.100900283072328
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CC1=NN(C)C(C)=C1NC(=O)CC#CC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA5F0>,2.5563400000000005,0.8620023585012845,2.449789509026333,1.8602222834800894
[C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][=N][N][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1],C1COC=CC=C1C2=NN=C(C3=CC=C4C(=C3)OCCO4)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA660>,2.8252000000000015,0.8490244833967575,2.9465688117322113,1.298553605251576
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],CCCCNC(=O)CNC(=O)C1=CC=CC(Br)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA6D0>,2.0951999999999993,0.7902754974700773,1.6946206567611455,2.256756830589241
[O][=C][Branch1][P][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(NCCC1=NN=C2C=CC=CN12)NC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA740>,2.746900000000001,0.7773651131075242,2.06664042449445,1.8201851410431713
[O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O],O=C(NC1=CC=C2C(=C1)COC2)C3=NC(C4=CC=CC=C4)=NO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA7B0>,3.019100000000001,0.804506933369485,2.237243166638992,1.7852915002084329
[C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][Ring1][Branch2][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1],CC1=CC(OCC(O)CNN=C(C(N)=O)C=CC2=C)C=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA820>,0.7318999999999999,0.6644157697294043,6.038793770424565,-2.7167149217775437
[C][C][Branch2][Ring1][#Branch1][O][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(OCCCNC(=O)NC1=CC=NN1C(C)C)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA890>,3.1484000000000014,0.7281744718216434,2.967721847760055,0.6731505113481617
[O][=C][Branch2][Ring1][Branch2][N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1],O=C(NC(CNC(=O)C1=CC=CO1)COC2=CC=C)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA900>,1.5406,0.8838380708003633,3.8040827556495387,0.615107598352278
[C][O][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][N],COCCNC(=O)N1CCN(CC2=CC=CO2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA970>,0.7531999999999996,0.7999929225905866,2.021451461007034,1.978513151945899
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(N(CCC#N)S(=O)(=O)C2=CC=CS2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BA9E0>,2.3494800000000007,0.7607188979827421,4.947775073314393,-1.1441805834006824
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C],COC(=O)C1CCCCCC1NC(=O)C=2N=NN(C3=CC=CC=C3)C=2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAA50>,2.4274199999999997,0.6715617652157305,2.9538512267678083,0.4039575993108442
[C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][C][C][Ring1][P][C][=N][Ring2][Ring1][Branch2],C1C=CC=CC2=CCN(C(=O)NC3=CC(C4CC4)=N[NH1]3)CC2C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAAC0>,2.8740000000000006,0.8780792092563194,4.774246638136428,-0.3838505918548307
[C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1CC1C(=O)N2C3CC(CC2)CC(=O)N3CC4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAB30>,2.6396000000000006,0.8606947076851175,4.393623764802411,-0.09015022637682346
[C][#C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1],C#CC1NCCN(C(=O)N2CCCC(C3)(C)CC2C3)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BABA0>,2.0580999999999996,0.6929187008696162,4.993199191882727,-1.5286056875346463
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC=C(C(=O)NC2=CC=CC3=CC=CN=C23)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAC10>,3.5043000000000015,0.8010449643006925,1.7208684443025053,2.2843563772009574
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Ring1][S],CC(C)C(=O)N1CCN(C2=NC3=CC=CC(Br)=C3S2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAC80>,3.363400000000002,0.8157333612511476,2.3087810389458596,1.7698857673098782
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][O][C][C][=C][Ring1][#Branch2],CCOC(=O)C1=C(C)NC(=O)NC1C2=CC=C(O)C(OCC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BACF0>,1.9819,0.720888290262179,2.699168118618468,0.9052733326924272
[O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1],O=C(NCC1=CC=C(C(F)(F)F)C=C1)NCC2=NN=C3N2CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAD60>,2.2424999999999997,0.8973473158740154,2.284433708967395,2.202302870402682
[N][#C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],N#CCCN(CC1=CC=CC=C1)C(=O)C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BADD0>,3.5208800000000027,0.8476914866109997,1.9629583447798087,2.2754990882751898
[C][C][Branch1][C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C],CC(C)C1NC(N2CCOCC2)=NC3=C1C(=O)N(C)C(=O)N3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAE40>,-0.29599999999999893,0.7682821566097886,3.542453832904182,0.29895695014476065
[C][O][C][=Branch1][C][=O][C][C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][P],COC(=O)C1CC(N2C=CC=N2)CN(CC3=CC=CS3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAEB0>,2.1808000000000005,0.8124294253659213,3.3125073501701134,0.7496397766594933
[C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=N][O][Ring2][Ring1][Ring2],CC1=CC(CN2CCOCC2C=3C(C)=NN(C)C=3C)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAF20>,1.90686,0.8639784144859595,3.216592845197681,1.1032992272321165
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BAF90>,2.7690800000000015,0.8527181695293624,1.9256814300801466,2.3379094175666655
[C][C][C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],CCC(NCC(F)(F)F)C1=CC=CC(Br)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB040>,4.052100000000003,0.8834741025008014,2.661946358432271,1.7554241540717364
[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=C][=O],O=C(CC1CCCC1)NC2=CC=CN(CC3=CC=C(Cl)C=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB0B0>,4.068800000000003,0.8884718188324963,2.0262869845920246,2.4160721095704565
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C],CC1=CC=CC(C)=C1OCCNC(=O)C(C)SC2=NN=CN2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB120>,2.1077399999999997,0.6202630111904918,2.718782026585499,0.38253302936695954
[C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][=C][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][#C],CC(SC1=CC=CC=C1)C(=O)NCC=C(C2=N[NH1]C3=C2CCCC3)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB190>,3.988800000000002,0.7704867956637258,3.1725235378652314,0.6799104404533978
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][Branch1][Ring1][C][#N][Branch1][C][C][C][C][C][Ring1][=N][=O],CCN(CC)C(=O)C1=CC=C(NCC(C#N)(C)CC)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB200>,1.7772799999999997,0.7250136250579985,3.877477185857023,-0.2524090605670306
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P],CC(C)(C)C=C1C=C(OCC(=O)NCC2=CC=CN=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB270>,3.140600000000002,0.9082729683153976,2.8194501561942005,1.7219146853827878
[C][C][C][=N][NH1][C][Branch2][Ring1][Ring2][S][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][Ring2],CCC1=N[NH1]C(SCCCN2C=CN=C2C3=CC=CC=N3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB2E0>,2.8080000000000007,0.5360992367587674,2.80086205541161,-0.12036587161777312
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1],CCCC(=O)NC1=CC=C(NC(=O)NC(C)C=2C=C(C)OC=2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB350>,4.5177400000000025,0.7209619122042519,2.4995409291695783,1.105268631851681
[C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CN(CC1=CC=C(C#N)C=C1)C(=O)C2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB3C0>,3.4838800000000028,0.8659026986994507,1.7739212898969328,2.5555922036003205
[O][=C][N][C][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][=N],O=CNC1CCNC(=O)C12C=CC3=CC(Cl)=CC(Cl)=C3OC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB430>,2.0199,0.8090999534707917,4.569965286998354,-0.5244655196443953
[O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2],O=C(NC1=CC=CC=C1C(=O)N2CCCC2)C3=CC=C4N=CC=CC4=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB4A0>,3.118100000000002,0.7905418126301249,1.9533023639575866,1.9994066991930382
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],C=CCC1=CC=CC=C1OC(=O)C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB510>,3.7734000000000023,0.47256998995524235,1.8858335589091322,0.4770163908670795
[C][C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Branch1],CCC1CCCN(C(=O)CCNC(=O)C2=CC=CC(C)=C2O)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB580>,2.46912,0.8760191834197468,2.527586113123961,1.8525098039747725
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Branch2][O][C][Branch1][C][C][C][=N][C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][=N][O][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][=Branch2],CNC(=O)C1=C(OC(C)C2=NC(C=CC3=CC=CC=C3)=N[NH1]2)OC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB5F0>,3.110400000000001,0.8220650436928063,3.996617790153829,0.1137074283102022
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][Ring1][Ring2][C][Ring1][#C],CCS(=O)(=O)N1CCCC(C(=O)N(C)CC2CCC2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB660>,1.3066,0.7691181602728818,2.772459891951822,1.073130909412587
[C][C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][F],CCOC1=CC=C(F)C(C(=O)OC2=CC=C3C(=C2)OCO3)=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB6D0>,3.3114000000000017,0.6383742111796301,2.212470423861408,0.9794006320367425
[C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring1][P],CC1=CC=C(C(=O)N(C)CC2=CC=CO2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB740>,3.1686400000000017,0.8292410454595877,1.908183733684222,2.238021493613716
[O][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1],O=C(C=1C=CSC=1)N2CCC(OCC3CC3)C2CC4=CC=NC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB7B0>,3.395500000000002,0.8079593861520054,3.406044651184276,0.6337522795757504
[C][C][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#C][=O],CCCNC(=O)C1=NOC=C1CCC2=CC=CC=C2NC=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB820>,2.1679000000000004,0.7318290716400814,2.697804675868076,0.9613406823323309
[C][O][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],COCCOC1=CC=CC(NC(=O)N(C)CCN2CCOCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB890>,1.5077,0.7286834667021497,2.1127712655284796,1.5306460679822687
[C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=N][N][Ring1][S][C][Branch1][C][C][Branch1][C][C][C],CC(C)C1=CC(C(=O)N2CCC(C(N)=O)CC2)=NN1C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB900>,2.0989999999999998,0.9257052671254634,2.499342547248739,2.129183788378578
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][C],COC1=CC=CC2=C1OCC(C(=O)N3CCOCC3CC(C)C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB970>,2.519800000000001,0.8494238313795873,3.277444134054347,0.9696750228435898
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][Ring2],CCOC(=O)C1CCN(C(=O)C2=NN(C)C3=CC=CC=C3C2=O)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AB9E0>,1.3487999999999996,0.7859210193586298,2.1913505768359833,1.7382545199571657
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C],CC(C)(C)OC(=O)NCCC(CNC(=O)OCC1=CC=CC=C1)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABA50>,3.463700000000002,0.7992239545764328,2.49838412665763,1.497735646224534
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][=C][N][Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][C],CC(C)(C)OC(=O)NC(C(=O)NCC1N=CN(C)N1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABAC0>,0.45630000000000176,0.6851067530587005,3.8432183040399757,-0.41768453874647316
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][Ring2],COC(=O)C1=CC=C(C2(O)CCCCC2CN3C=CC=NC3)OC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABB30>,1.7788,0.7947263229249205,4.559103036277444,-0.5854714216528412
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],CC1=CC=C(C2=NN=C3SC(C4=CC=C[NH1]4)=NN23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABBA0>,3.156320000000002,0.6137267475526602,2.5342962386769656,0.5343374990863357
[N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],NC1=CC=CC(Cl)=C1S(=O)(=O)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABC10>,2.8621000000000008,0.8561777994353158,1.8795098902700804,2.4013791069064983
[C][C][Branch1][C][O][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1],CC(O)CNC1=NC(C2=CC=CN=C2)=NC3=C1C=NN3C4CCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABC80>,2.796100000000001,0.7435050827833589,2.99693196779147,0.7205934461253243
[C][C][N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring1],CCN1C=CC(C(=O)NC(CC)C2=CC=C(OC)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABCF0>,2.792700000000001,0.8885041213066155,2.461731045979951,1.9807895605531263
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Branch1],COC1=CC=C(F)C(NC(=O)NC2(C)COC3=CC=CC=C32)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABD60>,3.263600000000002,0.9135137316552178,2.86527290306479,1.7022957552112992
[C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][N][=C][Ring1][=C],CCN1N=C(C)C=C1C(=O)N2C=NC(C3=CC=C(C)C(C)=C3)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABDD0>,3.039460000000002,0.8712956959526025,3.3066004274113734,1.0498780523516391
[C][O][C][C][N][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][P],COCCN1CCN(C(=O)NCC2=CC=CC=C2F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABE40>,1.2992999999999995,0.8903605638606342,1.87929438966294,2.572508429640231
[C][N][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][S],CNCCN1CCN(C(=O)C2=CC(F)=CC(F)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABEB0>,0.9420000000000004,0.8931823400430421,2.0242671690178113,2.441644531197399
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1],CC1=CC=C(C)C(C(=O)NCC(=O)NC2=CC=CC(C(N)=O)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABF20>,1.77084,0.7805613771826573,1.7853349018921172,2.117471984021169
[C][C][C][Branch1][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][C][=N][C][Branch1][C][C][=C][C][Ring1][#Branch2][=Ring1][Branch1][C][Branch1][C][C][C],CCC(C)C(NC(=O)CCNC1=NC=NC=NC(C)=CC1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ABF90>,2.9156000000000013,0.7511710447410196,4.800036633192546,-1.044181409487448
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][Ring1][Branch2][C][=C][Ring1][S],CCCC(=O)NC1=CC=C(C(=O)N2CCC(O)(CO)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD040>,0.9944999999999997,0.7566704094834364,2.57830915193966,1.205042895477522
[O][=C][Branch1][#C][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2],O=C(NCC1=NN=C2N1CCC2)N3CCCC(C(F)(F)F)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD0B0>,1.7081999999999997,0.9030239263430879,3.04177605589768,1.4733435758177595
[C][C][O][C][Branch1][C][C][C][=N][O][C][Branch1][P][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][P],CCOC(C)C1=NOC(CSC2=NN=CC3=CC=CC=C23)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD120>,3.4026000000000023,0.6450848648845395,3.1491785915676536,0.07624573285504432
[C][C][C][=N][C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][C][Ring1][=C][=N][O][Ring2][Ring1][Ring2],CCC1=NC(CN2CCN(C(=O)C3=CC(Cl)=C[NH1]3)CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD190>,1.5715,0.9237283770488653,2.5057717088351072,2.1128701764092197
[C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][C][=Ring2][Ring1][C][C],COC(=O)CSC1=NC(C2=CC=NC=C2)=C(OC)C=C1CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD200>,2.979700000000001,0.6026025838820177,2.4139454415540023,0.599067477856086
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][=N][C][=C][Ring2][Ring1][Branch1][O][C],COC=CC=C(CNC1=C(C#N)C(=O)C2=CC(C)=CC=C21)COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD270>,2.748500000000001,0.616656868337409,3.4471161564584456,-0.3638318147714008
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][NH1][Ring1][P],CC(C)(C)C1=CC(OCC(=O)NC2=CC=CC=C2F)=N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD2E0>,2.8638000000000003,0.9098888066140501,2.2889664321032583,2.2604776009669925
[C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][Ring1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch1],C=C1C=C(C2=NN=C(CCC3=NC(C4=CC=CN=N4)=NO3)O2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD350>,2.2042,0.7044482340128282,3.2949487303172127,0.22729243974692803
[C][O][C][C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],COCCN(CC1=CC=C(C)O1)C(=O)C2=CC=C(C#N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD3C0>,2.7485000000000017,0.8221288294739643,2.145703009792216,1.964941137577605
[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][S],O=C(C1CCCCC1)N2CCN(CC3=NC4=CC=CC=C4O3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD430>,3.0523000000000016,0.8692521250598181,2.0723860000896934,2.2738746252093973
[C][C][Branch1][=N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O],CC(C(=O)NC(C)COC)C1=CC=CC(C(=O)N(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD4A0>,1.6429999999999998,0.8669500803923585,2.8333315665275265,1.501418835434266
[C][C][=C][N][C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][=Branch2][N][=C][Ring1][N][N][Branch1][Ring1][C][C][C][Ring2][Ring1][C][=O],CC1=CN2C=3C(=O)[NH1]C(=O)N(C)C=3N=C2N(CC)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD510>,-0.6354800000000007,0.6391308269650503,2.7185286159042583,0.4771255189209933
[O][=C][Branch2][Ring1][=Branch1][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)NC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD580>,3.0569000000000006,0.8033157569025179,2.0794221552636785,1.9371566292489106
[C][C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][P],CCN1C=CN=C1CN2CCCN(C(=O)N(C)C3CCCCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD5F0>,2.7952000000000004,0.8411887719626044,2.4540993130997197,1.7518445467133024
[C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],CCN(CC(=O)OC)S(=O)(=O)C1=CC2=CC=CC=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD660>,1.6164000000000003,0.7836879278622185,2.3866562149718575,1.5317834243392352
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=S(=O)(CC=1C=C(C2=CC=CC=C2)[NH1]N=1)C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD6D0>,3.189700000000002,0.8037974409540644,2.2956640165274145,1.7233231882429072
[C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][P][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring1][#C][C],CNC(=O)CC1=CSC(C2=CC=C3[NH1]C(=O)[NH1]C3=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD740>,2.1816199999999997,0.6931493020113952,2.7408209346433825,0.7249255754135939
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1],COC=CC=C(CCNC1=NC2=C(C=NN2C(C)(C)C)C(=O)[NH1]1)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD7B0>,2.7830000000000004,0.6278773993574249,3.395399237556452,-0.25601224076932727
[C][O][C][=C][C][=C][N][=C][C][Branch1][=Branch2][S][C][C][=N][N][Branch1][C][C][C][Ring1][=N][=C][Ring1][=C][C][=C][Ring2][Ring1][C],COC=C1C=CN=CC(SCC=NNC)C1=CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD820>,2.5342000000000002,0.4608673542804537,5.130900732392593,-2.826563960990325
[C][O][C][C][N][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][Ring1][P],COCCN1C=C(NC(=O)CCC2=CC=CC(F)=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD890>,2.2398999999999996,0.8508797297879004,2.018609774278323,2.2357888746611794
[O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F],O=S(=O)(NCC1=CC=CN=C1)C2=CC=CC=C2OC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD900>,2.4587000000000003,0.9131629540339895,2.0976086030883963,2.4682061670815516
[C][#C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1],C#CC=C1C=CC(NC(=O)N(CCOC)CC2=CC=C(F)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD970>,2.9970000000000017,0.816689118220018,2.9694640257094758,1.1139815653906142
[C][#C][C][=C][C][=C][C][Branch2][Ring1][#C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1],C#CC1=CC=CC(N(C(=O)C2=CC=NC(N3C=NN=C3)=C2)C4CC4)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9AD9E0>,2.4528000000000008,0.6898352337726384,2.8461339284843348,0.6030422403788576
[N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][#Branch1][C][N][=C][C][=N][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][=Branch1],NC(=O)C1CCC(C=2N=C3C=NC=CN3C=2N4CCOCC4C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADA50>,1.7134999999999991,0.9168628039555337,3.456042768634463,1.1282712511432056
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C],CC(=O)NC1=CC=CC(C(=O)OC2CCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADAC0>,2.7444000000000006,0.8354403399314263,1.773670629611825,2.4035310700453065
[C][C][C][Branch1][Ring1][C][C][N][Branch1][Ring2][C][C][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C],CCC(CC)N(CC#C)C(=O)C1=CC=C2C(=C1)OC(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADB30>,2.3955,0.7967434408688631,2.824608741802143,1.1591084625421724
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][N][=Ring1][#Branch1][C][Ring1][O][=O],CC(C)C1=CC=CC=C1OCCNC=NC=2SC(C)=C(C)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADBA0>,4.211740000000003,0.47250967224926876,2.7945092132661618,-0.43196085201981793
[C][C][=C][C][=C][Branch2][Ring1][P][C][=N][N][=C][Branch2][Ring1][=Branch1][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][C][Ring1][S][C][O][Ring2][Ring1][#Branch1],CC=C1C=CC=NN=C(CN(CC2=CC=C(F)C=C2)CCOC)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADC10>,3.1911000000000014,0.7623758199212963,3.8416619994036942,-0.029782899797212714
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1],CCN(CC)C(=O)C1=CC=CC=C1NC(=O)NCCC2=CC=C(C)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADC80>,3.4342200000000016,0.8086005133324586,2.1289736537590596,1.914028912903234
[C][C][C][Branch1][Ring1][C][#N][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2],CCC(C#N)OC1=CC=CC(NC(=O)NCC2=NN=C3C=CC=CN23)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADCF0>,2.731980000000001,0.7111330580907059,2.9430365603830193,0.6126287300705102
[O][=C][N][C][Branch1][Ring1][C][O][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1],O=CN1C(CO)=C2N=C(C3=CC=CC=C3)OC2=NN1C4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADD60>,0.8702999999999996,0.7161188949720606,3.2445431223726384,0.3360513524876647
[C][C][NH1][C][Branch1][=N][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring2][Ring1][C][C][#N],CC1[NH1]C(NCCSC2=CC=CC=C2)=C(C(C)=O)C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADDD0>,2.3003800000000005,0.6233136537201516,3.6811168570844277,-0.5645485884836701
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=CC(NC(=O)C2=CC=CC(OC(C)C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADE40>,3.6845000000000017,0.884609414152632,1.7041029941276804,2.718944076635479
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1],CCNC(=O)C1=CC=C(Cl)C=C1NC(=O)CC2=CC=C[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADEB0>,2.599,0.7940993156473344,2.222003203222261,1.7484933750144105
[C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][=C][S][C][=C][N][Ring1][Branch1][C],CC(OC1=CC=CC(N)=C1)C(=O)N=C2SC=CN2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADF20>,1.5635999999999999,0.8656220745168475,3.0692393874482313,1.2588709851360065
[C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][C][Ring1][=Branch2],CC1=NN(C2=CC=CC(Cl)=C2)N=C1C(=O)NC3(C(N)=O)CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9ADF90>,2.1471199999999993,0.8702120413703667,2.606066620792026,1.7449935860598078
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1],CC(C1)C=CC=C(NC(=O)CCN2C(C)=NC3=CC=CC=C32)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC040>,3.721020000000003,0.9353487001377417,3.099162424312773,1.5775810763759353
[C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(C(=O)C1=CC(=O)[NH1]C2=CC=CC=C12)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC0B0>,3.1948000000000016,0.8056828572993364,1.9633848956482964,2.0650293908483857
[C][N][C][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][Branch1][=O],CN1CCC(C(=O)NCC2=CC=C(C3=CC=CN=C3)C=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC120>,1.8430999999999997,0.8767317388001976,2.5848806061309553,1.7987780878700326
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=C(C(=O)OCC(=O)NC2=CC=C(C)C=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC190>,2.8077200000000015,0.8250414481649604,1.5968174193746343,2.528389821450167
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][C][=N][Ring2][Ring1][C],COC1=CC=C(NC(=O)CNC(C)C2=NC=CS2C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC200>,1.4541999999999997,0.6000960580212986,4.876755115113167,-1.876274825006674
[C][N][C][C][O][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1][=O],CN1CCOC(C)(C(=O)NC2=CC=C3C(=C2)CC(=O)N3C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC270>,0.39129999999999976,0.8005326014805968,3.259183503233851,0.7434795041691329
[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2],CN1C(=O)OC2=CC(NC(=O)C3=CC=C(F)C=C3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC2E0>,2.522900000000001,0.7869573677263113,1.896597466586016,2.0381893720455406
[C][O][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=C][Ring1][O][N][=Ring1][P],COCCNC(=O)C=1C=NN(C=C2C=C(C3=NC(C)=NO3)C=C2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC350>,0.8400199999999995,0.7827193219383216,3.4877003625184475,0.42589624717316044
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring2],C1C=CC=CC1CN(CC=2C=CSC=2)C(=O)C3CC3=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC3C0>,3.7851000000000035,0.7538469326463999,3.944998666298824,-0.1757640030668246
[C][C][=N][O][C][Branch2][Ring2][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][Branch2],CC1=NOC(C2CCCN(C(=O)C(C3=CC=CC(F)=C3)C4CC4)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC430>,3.416920000000002,0.8534133005974185,3.2300017925490465,1.0370647104380462
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N],CC(C)(C)C(=O)NCC(=O)N1CCN(CC2=CC=CC=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC4A0>,0.888100000000001,0.8952285954200028,2.122157321050757,2.3539856560492565
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][NH1][C][=Branch1][C][=O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][=Branch1][=Ring1][P],COC1=CC=C(OC=2)C[NH1]C(=O)C(C(=O)NCC3=CC=CO3)=NC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC510>,0.7523999999999996,0.8486168123748945,4.765002762715197,-0.5219187008407244
[C][O][C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][N][S][Ring1][=N][C][Branch1][C][N][=O],COCC(NC(=O)C=C1C=C(OC)C=C(OC)C(C)=C1S)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC580>,0.8073000000000004,0.4639847265577784,3.9246721729863,-1.604748540197408
[C][C][N][C][=C][C][=N][C][N][=C][N][Branch1][O][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O],CCNC1=C2C=NC3N=CN(C(=O)C3C2)C4=CC=CC=C4C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC5F0>,1.5382,0.900298237767844,5.8227390436545425,-1.3212478548153221
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],CC1=CC=CC(NC(=O)NCC(=O)N(C)C2(C#N)CCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC660>,2.0211999999999994,0.8917448960440243,2.40786028026368,2.0508641999564414
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][Branch1][Ring1][C][C][C][C][C][C][C][Ring1][Ring2][N][=C][Ring1][=C],CCNC(=O)C1=CC=C(N(CC)CC2CCC2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC6D0>,2.457700000000001,0.8552659743838553,2.226523544395345,2.0498063275239318
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1],CCOC1=CC2=C(C=C1NC(=O)NCC(=O)NC3=CC=CN=C3)OC(C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC740>,3.2951200000000016,0.6190320397080556,2.3231075802196397,0.7720526183206387
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC7B0>,2.941040000000001,0.7880353396395863,2.025867745001806,1.9143089531961257
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring2][Ring1][Ring1],CS(=O)(=O)N1CCCC(NC(=O)C=2C=CC3=NN=NN3C=2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC820>,-0.41347999999999985,0.8143672151486875,3.070560872739347,1.0012752030040906
[C][C][=N][NH1][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][C][Br],CC1=N[NH1]C(C(=O)N(C)CC2=CSC(C(C)C)=N2)=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC890>,3.332720000000002,0.9130546303489033,2.9386798979555397,1.6265932537889771
[C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][Ring1][P],CCNC(=O)C(=O)[NH1]C=C(C(=O)OCC)C(=O)C1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC900>,0.5686000000000004,0.19933293547287906,2.4983573553914162,-1.501692678027021
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][C][C][C][Ring2][Ring1][Ring1],COC(=O)C(CNC(=O)C1=CC=CC=C1OC(F)F)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC970>,2.6071,0.749018728966106,2.6251479665676545,1.1199456782628756
[O][=C][C][=Branch1][C][=O][N][Branch1][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2],O=C1C(=O)N(CC=CC2=CC=CC=C2)C3=CC=C(F)C=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BC9E0>,3.0684000000000013,0.810783679380417,2.101082081970631,1.9528363149314538
[C][C][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C],CCN(CC1CCOC1)C(=O)C2CCN(C(=O)C3=CC=C(F)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCA50>,2.5629,0.8088997056195035,2.6441417079921674,1.4003568201053502
[C][C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][C][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch2],CCC1N(CC2=CC=C(CNC(=O)COC3=CC=CN=C3)C=N2)CC(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCAC0>,2.1285999999999996,0.7671200781062352,3.359744740562289,0.47585564996888685
[C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=N][O][Ring2][Ring1][Branch2],CC1=CC(C(=O)N2CCCN(C(=O)CNC3=CC=CC=C3)CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCB30>,1.7696199999999995,0.916045275728938,2.0998896977151045,2.480336680929586
[C][C][O][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][O][C][C][Ring2][Ring1][Ring1],CCOCC1CCN(C(=O)N2CCCC(OCC3CC3)C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCBA0>,2.7459000000000016,0.7542957673489352,2.9277050816554304,0.8437737550892459
[C][C][NH1][N][=C][C][=Ring1][Branch1][N][=Branch2][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][N][=O][=C][C][=N][Ring1][S],CC=1[NH1]N=CC=1N(CC(=O)N2CCCC2C(N)=O)CC=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCC10>,-0.3496099999999986,0.6206980711919313,3.6792310414841536,-0.5757406855244969
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C],CCS(=O)(=O)N1CCN(C(=O)C2=CC=CC3=NC=CC=C23)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCC80>,1.3422999999999994,0.8498241860961561,2.0193357493051938,2.229785181175586
[C][C][=N][NH1][C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][=N][Ring2][Ring1][=Branch1],C1C=N[NH1]CC2=CC=CC(NC(=O)C3=CC=C(F)C=C3)=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCCF0>,2.5789,0.798142545187035,2.7753406648790655,1.2153720610561094
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O],CCN(CC1=CC=CC=C1)C(=O)CNC(=O)NC2C3=CC=CC=C3CC2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCD60>,1.9926000000000008,0.7303261751354221,2.9260237231181936,0.7256071525589167
[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Ring1][S],CCOC(=O)C1CCCN(C(=O)C2=CC=C(C#N)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCDD0>,1.97358,0.7965084612819459,2.35068958574527,1.631852720664459
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][N],CC1=CC=CC=C1NC(=O)C(C)NC2=CC=CC(C3=NN=NN3C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCE40>,2.624620000000001,0.7480297628918297,2.5320799842357626,1.2080688302233855
[C][C][C][=N][C][Branch1][=N][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][C],CC1C=NC(NC=2C=NN(C)C=2C)C=C1NC(=O)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCEB0>,1.8431199999999996,0.8882148903588564,4.27863175449745,0.16244269729683136
[C][C][N][C][Branch1][#C][S][C][C][=N][C][Branch1][Ring1][C][#N][=C][O][Ring1][#Branch1][=N][N][Branch1][C][C][C][=Ring1][#C][C][Branch1][C][N][=O],CC=1NC(SCC2=NC(C#N)=CO2)N(C)C=1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCF20>,0.31488000000000016,0.8162991279423815,4.325173612077013,-0.2436779723651057
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][N][C][C][C][C][Ring1][Branch1],O=C(C1=CC=C(Br)C=C1O)N2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9BCF90>,2.3907000000000007,0.8507563788948846,1.8232957561665533,2.43048613830787
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],O=C(CC1=CC=CN=C1)NCC2CCN(C3=CC=CC=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3040>,1.7934,0.9157673332002052,2.617184290506282,1.9616523754947437
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C],CCC1=CC=CC=C1OC(C)C(=O)NC2=CC(C)=CC=C2OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B30B0>,3.9720200000000023,0.8774773906414416,2.205911834277808,2.1814751189293995
[C][O][C][=C][C][=C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],COC=CC1=COC(C(=O)N(CC2=CC=CO2)C(C)C)=CC1=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3120>,3.5309000000000026,0.7536135405889811,3.6145022729738336,0.15356542997107203
[O][=C][Branch2][Ring1][Ring2][C][C][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][N][C][C][C][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2],O=C(CCCC1=NN=C(C2CC23)O1)CC(CCO)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3190>,2.2474000000000007,0.8975025053730612,5.219196878079657,-0.7316843512143514
[C][#C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2],C#CCNC(=O)NC12CC3CC(CC(C3)C1)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3200>,1.8875999999999997,0.7013258447877836,3.8546369803089524,-0.34800775637003456
[C][C][O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Cl],CCOCCCNC(=O)C1=CC(S(N)(=O)=O)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3270>,1.143800000000001,0.7359796592316493,1.9495516928273346,1.7303466033309118
[C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2],CC(C1=CC=NC=C1)N(C)C(=O)C2=CN=C(C3CCCO3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B32E0>,3.222800000000002,0.8685753715491484,3.4357330065788174,0.907143851166925
[C][=C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][O][C][C][Ring1][=C],C=CCNC(=O)NCC1(C2=CC=C(OC)C=C2)CCOCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3350>,2.2286,0.7923937885251995,2.4066398407032406,1.5553291019227569
[C][O][C][C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2],COCCN(CC(=O)N(C)C)C(=O)C1=CC=C(C)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B33C0>,1.8252200000000003,0.8049383637040282,2.064435103948652,1.9602567145714893
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][=C][Ring2][Ring1][#Branch1],C1OC=CC=CC(OCC(=O)NCC(C)N2CCCCC2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3430>,1.5041999999999995,0.8052731540811896,3.6593694173197653,0.36699635308618284
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][N][=N][N][Ring1][Branch1][C][C][C][O][Ring1][=N][=C][Ring2][Ring1][Branch1],C1C=CC=CC1OCC2CN(CC3=CN=NN3C)CCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B34A0>,0.9171999999999998,0.8068610872979886,4.067295134411256,-0.03298969792131334
[N][#C][C][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],N#CCCC(CO)CNC(=O)NC1=CC=CC(C(F)(F)F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3510>,2.739180000000001,0.7543236151474232,2.8551002742599607,0.9165178014771551
[C][C][=C][C][=C][Branch1][C][N][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CC1=CC=C(N)C(C)=C1NC(=O)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3580>,3.4161400000000013,0.8257122523967274,1.933292718468362,2.195268543515275
[C][C][O][C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][=N][C][=Ring1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1],C=1COC(C(=O)OCCC(C)C)=NC=1C(=O)OC2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B35F0>,2.7642000000000007,0.702689705560192,3.146088885399868,0.36735964240109187
[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=C(N)C=CC=C1C#CCNC(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3660>,2.750420000000001,0.5842612696929811,2.2199074665860152,0.7013988818788901
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CN1C(=O)C(C)(C(=O)NCC2=CC=CN=C2)OC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B36D0>,1.5118999999999994,0.8723389880389468,2.7488054474434875,1.612889492751247
[C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][C][Ring1][Branch2][=N][Ring1][=N],CN(CC1CC1)C(=O)N2C=CC=C3N=C(C4CC4)SC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3740>,1.6267,0.8518093876564221,3.732855615217046,0.5261913230650643
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC1CCCC1)NC2CCCC3=C2C=NN3CC4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B37B0>,3.550600000000002,0.8954980760265732,2.69319297653467,1.7842974035981962
[O][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][C][Branch1][#C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C],O=C(C1CCOCC1)NC2CCC(CC3=CC(F)=CC(F)=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3820>,3.2188000000000017,0.9238015102808296,3.060842629159101,1.558164922245047
[C][C][C][Branch2][Ring1][O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C][=N][NH1][C][=Branch1][C][=O][C][=Ring2][Ring1][Branch2],CCC(NC1=CC(C2=CC=NC=C2)=NC3=C1C=NN3CC)=N[NH1]C(=O)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3890>,2.7847,0.41843065922999656,2.9259947701289413,-0.8338414739789584
[C][N][Branch1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][O][C][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],CN(C(=O)N1CCN(CO)CC1)C2=CC=CC=C2OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3900>,0.8187999999999995,0.8897522474714431,2.249969366820009,2.1987918705372067
[O][=C][Branch2][Ring1][Branch2][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(NC1CCN(C(=O)C2=CC=CO2)CC1C3)CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3970>,2.6992000000000003,0.8585389277333498,4.183886958819718,0.10880767984703077
[C][C][O][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Ring1],CCOCC1CCCN(C(=O)NC2=CC=C3C(=C2)OCCO3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B39E0>,2.738200000000001,0.9265139865489592,2.6387615580148918,1.9938083747299045
[C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][=N][NH1][C][=Ring1][N][C],CCNC(=O)C(C1=CC=C(OC)C(Cl)=C1)=N[NH1]CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3A50>,1.7982999999999998,0.6180601979978623,2.6101314879032156,0.4801695020860959
[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][P][O][Ring2][Ring1][Branch1],CCC(=O)C=CC1=CC(OCC(=O)NCC2=CC=CO2)=CC=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3AC0>,2.672700000000001,0.7269381800855474,2.3843947949402438,1.2502961054874935
[C][O][C][=Branch1][C][=O][C][N][=N][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=Ring2][Ring1][Ring1][C],COC(=O)C=1N=NN(CC(=O)NC2=CC=C(OC)C=C2OC)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3B30>,1.0290199999999994,0.7866266976263621,2.103743992801208,1.8293894953306022
[C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch2],CC1=C(C(=O)NC2=CC=C(F)C=C2)C(C3=CC=CC=N3)N4N=CN=C4N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3BA0>,2.7398,0.758673342730669,3.1058691757676344,0.6874975378857107
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][C][C][Ring1][Ring1][S][Ring2][Ring1][=Branch1],CC1=CC=C(C(=O)NC2CCOC3CCC2C3OCC4CC4)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3C10>,3.149020000000002,0.8990720188370863,4.5988465512467345,-0.10348645706130277
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=Ring1][#C][C],COC(=O)C=1SC(NC(=O)C2=CC=C(Cl)C=C2)=NC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3C80>,3.1438200000000016,0.8842838052463398,1.8142209702166134,2.6071980560150854
[C][#C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2],C#CCN(CC1=CC=CC=N1)C(=O)NC2=CC=C3[NH1]C=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3CF0>,3.230200000000001,0.726964708279562,2.5300835157981734,1.1047400255996367
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1],CC1=NC(C)=C(COC(=O)C2=CC=C(F)C=C2)C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3D60>,1.8828399999999998,0.8687589371587612,2.2066990121746546,2.137095673619151
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][C][=C][C][=C][C][=Ring1][Branch1][Ring1][=Branch1],O=C(NCC1=CC=CC=N1)NC(C(F)(F)F)N=C2C3=CC=CC32,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3DD0>,2.3362,0.893373665590392,4.052870977733603,0.4139973502183567
[C][O][C][=C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][Branch1][O][C],COC1=CC=CC(C(=O)N2CC(OCC3=CC=C(F)C=C3)C2=C1)OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3E40>,2.5521000000000003,0.8229009574741903,4.446741916556163,-0.3322371291852111
[C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NN=C(SCC(=O)NC2(C)CCCCC2)N1CC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3EB0>,3.565920000000002,0.8021968705674116,2.299897390022796,1.711086962814262
[C][C][C][=C][Branch2][Ring1][#Branch2][C][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][N][=N][Ring1][Branch2][O][N][=Ring2][Ring1][=Branch1],CC=1C=C(CC2COCC2NC(=O)C3=CC=C(OC)N=N3)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3F20>,0.7691199999999998,0.868809067311304,3.5630174543339255,0.7810278822225944
[C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][O][N][N][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][O][=O],CCN(CC1CCCO1)C(=O)CON2N=NC3=CC=C(C)C=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B3F90>,0.55602,0.7594182092213615,3.1049538737265543,0.692137172380253
[C][C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring1][S][O][C],CCCOC1=C(Cl)C=C(NC(=O)NC2=NN=CS2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F996040>,3.632900000000001,0.8367724828409796,2.3049561115291883,1.87890630267571
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1],CC(NC(=O)C1CC(=O)N(C2=CC=CC=C2)C1)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9960B0>,2.9784000000000015,0.9429679052559747,2.696825314271125,2.0180142120087483
[N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring1][#C],NC1=NC=CN=C1C(=O)N2CCC(C3=NC4=CC=CC=C4S3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F996120>,2.688300000000001,0.7757150937499279,2.330833683110898,1.5477417856387414
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],CC1=NN(C)C(C)=C1CNC(=O)CN2C(=O)[NH1]C3=CC=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F996190>,0.356539999999999,0.715013128190425,2.2434799987184473,1.3315856422336774
[O][=C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C1CC(C2=NC(C3=CC=CC=C3)=NO2)CN1C4=CC=C(Cl)C=C4,<rdkit.Chem.rdchem.Mol object at 0x000002763F996200>,3.9105000000000025,0.7255293841232817,2.466939391392893,1.1607075292235152
[C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(C(=O)N2CCN(C(=O)C=3C=NN(C)C=3)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996270>,1.32672,0.8403396038224173,1.9726614297785687,2.229036589333518
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][=C][Ring1][=N],CCS(=O)(=O)N1C=CC=C(C)C(NC(=O)OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9962E0>,1.3091000000000004,0.8401054321215081,3.4284721567611465,0.7720550038463942
[C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][S][Ring2][Ring1][C],CC(=O)NC1=NC2=CC=C(C(=O)OC3CCCCC3)C=C2S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996350>,3.744200000000003,0.8752828415982412,2.1171035769669775,2.2593106310242286
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2],COC(=O)CNC(=O)CCCC1=CC(Cl)=CC(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9963C0>,2.6053000000000006,0.8219548241477592,1.971408410980139,2.1383657097586575
[C][O][C][C][=C][C][Branch2][Ring1][O][C][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][Ring2][Ring1][#Branch1],COC1C=CC(CNC2=CC(C)=CC=C2NC(=O)NC3CCCC3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996430>,3.454320000000002,0.7410443182881846,3.4261581532498466,0.2790634381910766
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][P][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][=C][Ring1][S],CC(C)OC1=CC=CC(C(C)NC(=O)C=2C=COC=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9964A0>,3.557800000000002,0.9058479944401315,2.5164751849921156,2.0127647872085417
[C][C][=Branch1][C][=O][C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][#C][C],CC(=O)C=1SC(NC(=O)C2=CC=CO2)=C(C#N)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F996510>,2.9761000000000006,0.8719968985538044,2.3589755707434517,2.0010089220255702
[C][C][C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Ring2][Ring1][Branch1][C],CC=1CC(C2=CC=C(C)O2)N(CCC(=O)N3CCOCC3)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F996580>,2.877620000000001,0.8562155211522654,3.2967147965559143,0.9843628092054129
[C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],CCOCC1=CC=CC=C1CNC(=O)NC2=CC=C(OC)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9965F0>,3.5534000000000017,0.8213647824096927,1.779534178568241,2.3272897334802227
[O][=C][Branch1][P][C][O][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1],O=C(COC1=NC=NC2=CC=CC=C12)NC3CCCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F996660>,2.847600000000001,0.8817376186437365,2.0159491560033267,2.3927389372153556
[O][=C][Branch1][P][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1],O=C(NN1C=NC2=CC=CC=C2C1=O)C3=C[NH1]C4=CC=CC(F)=C34,<rdkit.Chem.rdchem.Mol object at 0x000002763F9966D0>,2.4008000000000003,0.5945767386765175,2.399836148471623,0.5730475449109642
[F][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O][=N][Ring2][Ring1][C],FC1=CC=CC(NC=2C=NN(CC3CCCO3)C=2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996740>,2.3398000000000003,0.8592135841776508,2.960892673784535,1.3351752471037193
[C][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O],CCCCN1N=NN=C1CNC2=CC(C)=NC3=CC=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9967B0>,2.3021200000000004,0.7486246371622797,2.4645478541572423,1.2785753316541562
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch1],CC1=NC(C)=C(CC(=O)N(CC2=CC=CS2)C3CC3)C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996820>,2.1819400000000004,0.9189762703474234,2.65305500914136,1.941826342595757
[O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CC1=CC=C(F)C(F)=C1)NCC2=NN=NN2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F996890>,1.7993999999999999,0.7746075351527468,2.0511498608462055,1.8218878149175284
[C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][=C][=N][O][Ring2][Ring1][Branch1],C1C=C2C1(NC(=O)CCC(=O)N(C3=CC=C(C)C(C)=C3)C)NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F996900>,1.6813399999999998,0.8671647537515077,3.7395594304316537,0.5962643383258852
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][C],CC1=NC(C)=C(C(C)NC(=O)C=CN(C)N)CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996970>,0.9772000000000003,0.4503145729826609,4.459719435258355,-2.208146570345051
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][S][C],CC(=O)C1=C(C)[NH1]C(CC(=O)N2CCCC(C)C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9969E0>,2.6351400000000007,0.8628402701415706,2.8611650201569496,1.453036330550903
[C][N][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],C1NC(OCC(=O)NCC2=CC=CC=C2)=NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F996A50>,2.1102999999999996,0.9078310811858141,2.4344054873642715,2.1047499185647993
[C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O],CC1CCCCN1C(=O)C2=CC=C(NS(C)(=O)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F996AC0>,2.0727,0.9282787773923401,2.3137310341429647,2.3276628528187358
[C][C][N][N][=C][C][NH1][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C][=C][C][=Branch1][C][=O][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring2],CCNN=C1C[NH1]C2(C=C3C=C(C(=O)NCC4=CC=CN=C4)C3=C)C(=O)C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F996B30>,0.6268,0.6444819622261077,4.606428917923388,-1.38401910679285
[C][N][C][=Branch1][C][=O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C],CNC(=O)CCNS(=O)(=O)C1=CC=CC=C1OC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F996BA0>,0.8881999999999999,0.7829409748287067,2.067197846673489,1.8475070274700447
[C][C][=N][NH1][C][Branch2][Ring1][P][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1],CC1=N[NH1]C(C2=CC=C(C(=O)NC3=CC=C4C(=C3)CCC4)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996C10>,3.5211200000000016,0.7759569855797204,2.262036100693315,1.6177488272052867
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][=C][Ring1][=N][=N][Ring2][Ring1][#Branch1],CC(C)C1=NOC(CCNC(=O)C2=CC=C(N3CCCCC3=O)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996C80>,2.6824000000000012,0.8595432961829769,2.243656308590481,2.0540601723244034
[C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],CN(CC1CCCO1)C(=O)NC2C(C)(C)NCC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F996CF0>,2.4299,0.9001055112579736,3.6310638771418864,0.8694636791479811
[C][C][C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1],CCC(C)N1N=CC(C(=O)N(C)CC2=CC=C(C#N)C=C2)=C1C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F996D60>,3.8753800000000034,0.8041164816310042,2.990258654922089,1.0303237532329321
[C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],COC1=CC(C#N)=CC=C1CNC2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F996DD0>,3.457180000000002,0.9282492216765604,1.9899089272595702,2.651337181123232
[C][C][C][=N][N][Branch2][Ring2][C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][N][=Ring1][Branch2][C][=C][C][Ring2][Ring1][Ring2][=N][NH1][Ring2][Ring1][Branch2],CC1C=NN(CC=CC(C(=O)NCC2=C(C(C)C)C=NN2)=CC)N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996E40>,1.3509,0.44175792254631235,4.705689471931166,-2.496899859199604
[C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][=N][O][Ring2][Ring1][C],CC1=CC(NC(=O)NCC2=CC=C(F)C=C2Br)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996EB0>,3.2063200000000007,0.9091327453279796,2.1620683920005703,2.3835953346393275
[C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][C][=Ring1][Branch2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O],CC=1N=C(C(C)C)SC=1C2=NC(C3=CC=CC=N3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F996F20>,3.6869200000000024,0.7343846525886755,2.5104785484278747,1.1614447145155027
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1],CC1=CC=C(C)C(C(=O)N2CCC(CC3=CC=CC=N3)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F996F90>,3.7933400000000033,0.8639939682004195,2.0160076051416667,2.303962235860431
[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring1][#C],O=C(NCC1=CC=CN=C1)N2CCCN(C(=O)C3=CC=C(C)S3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5040>,2.509220000000001,0.9167838227121667,2.1700550823304887,2.4138640312303448
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][C][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1],CC1=CC=C(C)C(C(=O)OCC(=O)N(CCCCO)C2CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B50B0>,2.2237400000000003,0.5892269447220658,2.1483046081386696,0.7978301154716596
[C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC=NC(C(=O)NC1=CC(F)=CC(F)=C1)=NNC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5120>,3.4196000000000017,0.5175064420914347,2.6779206013762007,-0.09038839091902728
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Ring1][O][C],CC1=CC=CC=C1CNC(=O)C=2C=NN(C3=CC=NC=C3)C=2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5190>,2.814140000000001,0.806057310659721,2.033957255491316,1.9963292978072884
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][O],COC(=O)C(C)CN(C)CC1=CN2C=CC(C)=C(C)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5200>,2.1920399999999995,0.7916807192374489,3.1475345456025403,0.8108690505847038
[N][#C][C][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][=C][Ring1][=N][S][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1],N#CC1=C(NCC2=CC=CC(OCC3CCCO3)=C2S)C4=CC=CC=C14,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5270>,4.0281800000000025,0.7601521926531766,3.3572528032979996,0.4435081599678834
[C][=C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1],C=CCN1C(=O)[NH1]C2=CC(C(=O)NCCC3=CC=CC=C3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B52E0>,2.4881,0.6850520688889189,2.0820067170334973,1.343253627411097
[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][C][C][S][C][=N][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][Branch2][=N][Ring2][Ring1][C],CN(C)C1=NC(N)=NC(CSC=NC=C(CC(C)C)S)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5350>,2.5986000000000007,0.4553221829830276,3.9289262115252868,-1.6523152966101486
[C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2],CC1(C(=O)NC2=CC=CC(Cl)=C2F)OC3=CC=CC=C3N(C)C(=O)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B53C0>,3.621800000000003,0.8872244593389235,2.932042601410382,1.5040796952842355
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][C][C][Ring2][Ring1][Ring1],CCOC(=O)C1CCN(C(=O)C2=CC=NC(OC3CCC3)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5430>,2.4282000000000004,0.7747189643089174,2.2096339352117376,1.6639608863328492
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][N],O=C(C1=CC=CC(Cl)=C1)N2CCOC3(CCCCCC3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B54A0>,3.905400000000003,0.7871267006049054,2.6713131478458543,1.2643203551786728
[C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC1=CC(C#N)=CC=C1S(=O)(=O)OC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5510>,2.773500000000001,0.8154550427114143,2.0727160751117175,2.0045591384453543
[C][N][C][=Branch1][C][=O][C][C][C][O][C][C][C][N][Branch1][N][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C][Ring1][=N][C][Ring1][S],CNC(=O)CCC1OC2CCN(CC3=NC(C)=CS3)CC2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5580>,1.9571199999999993,0.8998418367339676,3.698114114410089,0.8010950692597492
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],CC(=O)NC1=CC=CC=C1OC2=CC=C(C(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B55F0>,4.560700000000003,0.8831336945846715,1.631098212973857,2.7845702599495006
[C][O][C][C][=C][C][=N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][N][Ring2][Ring1][C][C][=Ring2][Ring1][=Branch1],COC=1C=CC2=NC(C(=O)N3CCCSC4=CC=CC=C43)=CN2C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5660>,3.4855000000000027,0.7169944368897441,2.5600092875065013,1.024962896942219
[O][=C][Branch1][#C][C][=N][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N],O=C(C1=NC=CC2=CC=CC=C12)N3CCN(C4=CC=C(F)C=C4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B56D0>,3.3363000000000023,0.7206400893847834,1.91663627305757,1.6865641738663473
[C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][N][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring2],COC=C(Cl)C=C(C(O)C1=CC=CS1)C(OC)=CC=C[NH1],<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5740>,3.7614000000000027,0.6126448458843231,4.591117248380706,-1.5278930189590905
[N][#C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],N#CCCN(C(=O)OC1=CC=CC=C1Cl)C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B57B0>,4.398180000000003,0.8392800734637448,2.2136518931669062,1.9827484741518173
[C][C][Branch1][C][C][N][N][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][=C][C][=C][Ring1][=C][N][Ring1][P][C],CC(C)NN=CC1=CC(NC(=O)C=2C=CSC=2)=CC=C1NC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5820>,3.3740000000000014,0.5652832007129948,2.706932290189238,0.1194837133757356
[C][O][C][C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=C][S][Ring1][=C],COCCC=NC(C(=O)OCC1CCC(=O)N1C)S,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5890>,0.5135999999999996,0.32075413680087234,4.241245828757659,-2.6374751447532976
[C][C][=C][S][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1],CC1=CSC(CNC(=O)C(C2=CC=CC=C2)N3CCCCC3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5900>,3.294920000000002,0.9153270802383809,2.5959914087611597,1.9806439924307453
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(CNC(=O)C=2C=NN(C3=CC=C(Cl)C=C3)C=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5970>,3.4643000000000015,0.7727955315500865,1.836062904324466,2.0279147534259665
[O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(C1=CC=C(OC(F)(F)F)C=C1)N2CCC2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B59E0>,4.172400000000003,0.8488844322010795,2.3637247373843167,1.880697423621081
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][C][C][C][C][Ring2][Ring1][Ring1],COC(=O)C1(N(C)C(=O)C2=CC(C)=C(F)C=C2F)CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5A50>,3.2211200000000018,0.8017686077462536,2.657168308953983,1.3516747297772849
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][Ring1][P],COC(=O)C1=CC=CC(C(=O)NC2=CC=C(F)C=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5AC0>,3.5180000000000016,0.8827467898928633,1.6467961403260674,2.7669378091382493
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCC(CC)(CO)NC(=O)CC1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5B30>,2.5498000000000003,0.8338560241911386,2.1557322234801415,2.0135478974755516
[N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C],NC1=CC=C(S(=O)(=O)NC2CCCCNC2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5BA0>,0.21580000000000005,0.6904035894869391,2.636437355517897,0.8155805919167989
[O][=C][Branch2][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][Ring1][Ring1],O=C(CC1OC(=O)C2=CC=CC=C21)NC3=NN=C(C4=CC=CC=C4)N3C5CC5,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5C10>,3.5203000000000015,0.6907425847493728,2.942734547205953,0.5109783765409106
[C][C][=C][C][=C][C][NH1][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][=N][N][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2],CC1=CC=CC2[NH1]C(CNC(=O)NCCC3=CC(F)=CC(F)=C3N)N12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5C80>,1.4197000000000002,0.6061892644602562,4.120602204250021,-1.0896558819487403
[C][C][=C][N][C][=Branch1][C][=O][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][N][=Ring2][Ring1][#Branch1],C=1C=CN2C(=O)C(S(=O)(=O)N3CCCC3)=C4N=CC=CC4=C2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5CF0>,1.0271999999999994,0.6552347071283777,2.508022290456351,0.7681512451855377
[O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(CSC1=NN=NN1C2=CC=CC=C2)NC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5D60>,3.046500000000001,0.7194061268340164,1.8447174997246947,1.7523131344453873
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O],CC1=CC=C(F)C=C1NC(=O)C2CC(=O)N(CC(F)(F)F)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5DD0>,2.4834200000000006,0.870628157611589,2.6279854893838213,1.7251552986741236
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][N][=N][Ring1][P][=C][Ring2][Ring1][Branch1][C],C1C2=CC=CC1(NC(=O)C=CC=3C=NN(C(C)C)C=3N=N)C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5E40>,3.5306700000000024,0.6438041068600993,5.431217622582129,-2.212197088281633
[C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C(S(=O)(=O)NC2=CC=C(C(=O)NC(C)C)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5EB0>,2.934020000000001,0.8837657801287254,1.6642826301166913,2.7545462705269355
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][=N][Ring2][Ring1][Branch2],COC1=CC=C(C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4O3)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5F20>,3.545700000000002,0.6076599424518528,2.17165074452439,0.8666489677348741
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][C][Ring1][O][=C][Ring2][Ring1][=Branch1],COC1=CC=C(OC)C(CC(=O)N2CCC(N(C)C(C)=O)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B5F90>,1.7155999999999996,0.8225378013684754,2.134385950843166,1.978303055999211
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1],CN(C)C(=O)CCNC(=O)NCC(C(C)C)N1CCOCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994040>,0.12070000000000158,0.6999677980977025,2.819236428106116,0.6806025623823966
[C][C][C][C][O][C][=C][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][C][=C][Ring1][N][O][C],CCCCOC1=CC(C2=NC(C)=CS2)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9940B0>,4.306020000000004,0.7374005069868504,1.9253694563450292,1.761633078589223
[O][=C][Branch1][=C][C][C][=N][N][C][=Ring1][Branch1][O][C][C][C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N],O=C(C=1C=NN2C=1OCCC2)N3CCN(C4=CC=C(Cl)C=C4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F994120>,2.2814000000000005,0.8368105014746023,2.470084452341668,1.7139680550313434
[C][C][=C][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=N][Ring2][Ring1][C],CC1=CN=C(C(=O)NC2=C(C)C=C(C)C=C2C)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994190>,2.962580000000001,0.8971777249671209,2.051907819264162,2.4339808055714425
[C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1],CC1=CC(N2C=NC=N2)=CC=C1C(=O)N3CCNCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F994200>,0.6211199999999997,0.869544327710513,2.2798839651527114,2.067837673399854
[C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O],CCC(NC(=O)C1=CC=CC(C)=C1)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F994270>,0.9887199999999998,0.7937860985477934,2.2086587019027544,1.7602717908362124
[C][C][C][Branch1][Ring1][C][O][C][C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring2][Ring1][Branch1][=Ring1][S],CC1C(CO)CC=2OC(CNC(=O)C3=CC=CC=C3C)OC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9942E0>,1.95762,0.8920150499995442,3.9437605163952005,0.5163147336025204
[C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][S][C][=N][C][Branch1][C][N][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2],COC(=O)C=1SC=CC=1CSC2=NC(N)=CC(=O)[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994350>,1.4925,0.5038759713193848,2.811620206224081,-0.29224034962715706
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1],CCC=1ON=C(C)C=1NC(=O)C2CCCN2C(=O)CC3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9943C0>,2.7791200000000007,0.902280696376393,3.018834517443313,1.492568964438652
[C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],COCCCNC(=O)C(C)SC1=CC=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F994430>,2.973300000000002,0.6188523446362075,2.3914948046035818,0.7027669185774559
[C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1],C1CC(=O)NCCN1C2=NC=NC=C2OC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9944A0>,1.5952000000000002,0.9268602425209685,2.3248925038068595,2.3094087087979833
[C][C][C][C][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][C][=C][C][=C][Ring1][O][Ring1][#Branch1],CC1CC1CNC(=O)COC2=CC=C(Cl)C=NC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994510>,3.0104000000000015,0.9095294890842792,3.115036094887749,1.432611350533647
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][C],CC1=CC=C(C)C(NC(=O)CC2=CC=C(C)N=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994580>,3.188060000000002,0.9136088246188827,1.76627739054919,2.8017667325452233
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][O][N][C][=Branch1][C][=O][N][C][C][C][O][O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1],CCOC1=CC=C(C(NC(=O)NCCCO)OC2CCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9945F0>,2.7247000000000003,0.4784116783239674,2.905523165879277,-0.51346477425944
[C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][N][C][Ring2][Ring1][Branch1][=O],CCOC1=CC=C(NC(=O)C2CCCN(C(C)=O)C2)C=C1NC=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F994660>,1.8505999999999998,0.7778410542794345,2.640920949536243,1.2482843218609299
[C][C][C][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],CCCCNC1=NC=NC2=C1C=NN2C3=CC=C(C)C(C)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9946D0>,3.6443400000000024,0.7300488233856923,2.193204675868076,1.4570394410603855
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][P],COC(=O)C1=CC=C(C)C(NCC2=CC=CC=C2OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994740>,3.4023200000000022,0.8552950586364997,1.6813249763643725,2.595150316818126
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=C(CNC(=O)C(C)OC2=CC=CC(C)=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9947B0>,3.0959200000000013,0.8479302514292552,2.197732430592499,2.0419188265537773
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][O][Ring1][Branch1],COCCNC(=O)C1=CC=CC=C1NC(=O)C2CC2C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F994820>,2.3979999999999997,0.7649087376931545,2.8558836382841317,0.9686600501816409
[C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][S],CCNC(=O)C=1C=CN(N=1)CCCN(C(=O)C=2C=C(C)ON=2)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F994890>,1.4816199999999995,0.7896370995937205,2.523703756917689,1.424481741050914
[C][C][=N][NH1][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][P],CC1=N[NH1]C(SCC(=O)NC2=CC=CC=C2F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994900>,1.9830199999999998,0.8301138062131413,2.3497330730507393,1.800835958014967
[C][C][C][=C][C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=N][C][=N][N][Ring1][S][C][=Ring2][Ring1][Ring1],CC=1C=C2C(C3=CC=CC=C3OC(C)C=N)C=NN2C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994970>,3.1927900000000005,0.849672900779146,4.335081257391941,-0.08671675349621122
[C][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][#C][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1],CC1CN(CC2=CC=C(C(=O)NCC3=CC=CN=C3)S2C)C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9949E0>,2.1769,0.8018643368616691,4.614223787457695,-0.6049021031493487
[O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N],O=C(NCCC1=CC=CC=N1)NC=2C=NN(CC3=CC=CC=C3)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994A50>,2.6906000000000008,0.7330396570613441,1.9909686653117955,1.6742296199949251
[C][C][C][C][C][C][Branch2][Ring1][Branch1][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Ring2][Ring1][Ring2],CC1CCCC(NC(C)C2=NC3=CC=CC=C3N2CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994AC0>,4.285500000000003,0.9080765206073975,3.1052028391939643,1.4351797638430233
[C][C][=N][N][Branch1][C][C][C][S][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=N][C][Ring1][Branch1][=C][Ring2][Ring1][=Branch1],CC=NN(C)CSC(C(=O)NCC1=CC=CC=C1N=CN=NC)=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F994B30>,3.1865000000000014,0.1861250282935935,4.148727637514702,-3.218102496046735
[O][=C][Branch2][Ring1][=Branch1][C][C][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][N][C][C][C][Ring1][Ring1],O=C(CC1=CSC(C2=CC=C(F)C=C2)=N1)NC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F994BA0>,2.7703000000000007,0.9326649323949439,1.9246694563450308,2.738655205629689
[C][C][=C][C][=N][C][=N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][N][=N][N][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2],CC1=CC=NC2=NC(C(=O)NC3=CC=C(CN4C=NN=N4)C=C3N)N12,<rdkit.Chem.rdchem.Mol object at 0x000002763F994C10>,0.22799999999999965,0.7689053552707262,3.8739581532498475,-0.02943137689621622
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1],COC(=O)C1=CC=CC=C1NC(=O)N(C)CC=2C=C(C)ON=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994C80>,2.4335200000000006,0.8768399530389367,2.1223183130505667,2.2618814521441166
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(OC(C)C(=O)OCC2=CC=C3N=N[NH1]C3=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F994CF0>,2.4772000000000007,0.7000226765592266,2.8374181491568677,0.6626952336392651
[C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][C][=Ring1][=Branch2],CN(CC=1C=NN(C)C=1)S(=O)(=O)C=2C=C(C(N)=O)N(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994D60>,-0.3217999999999994,0.8168078955887724,2.570588675377225,1.5134508025666369
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=N][Ring2][Ring1][C],CC(C)CNC(=O)CN=C(C)N(CC1=CC(=O)N(C)C(=O)N1C)N,<rdkit.Chem.rdchem.Mol object at 0x000002763F994DD0>,-1.0496999999999963,0.2972267431817722,3.200384452341668,-1.7142507364328066
[C][C][=Branch1][C][=O][C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CC(=O)C(CCOC1=CC=C(F)C=C1)CC2=CC=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F994E40>,4.350920000000004,0.7595641949361893,2.408825931828199,1.3889950428527476
[C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1][C],CC1=NN(C)C(=O)C(C(=O)N(C)C2=CC=C(C(C)(C)C)C=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F994EB0>,2.9712400000000008,0.851917764692464,2.3747514853086997,1.8848373381536208
[C][N][Branch2][Ring1][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2],CN(CC1=CC(F)=C(F)C(F)=C1)C(=O)C=2C=CC(=O)N(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994F20>,2.0747999999999998,0.8146466266733646,2.3287567339794553,1.7444763993873682
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N],CC1=CC=CC=C1CNC(=O)NC2=CC=C(CC(=O)N(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F994F90>,2.947420000000001,0.8876849790406721,1.8268991644951846,2.611525730708176
[C][C][Branch1][C][C][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C][O],CC(C)C1CN(CC=2C=CSC=2)CC3=C1C=NN3CCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0040>,2.692300000000001,0.9232091734230065,3.4407805375053737,1.1752653296096582
[C][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][N][=C][Ring1][=C][Ring1][=Branch1],CCCC(=O)NC1=NC2=CC=CC=C2N3C(C)=NN=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A00B0>,2.3245199999999997,0.7916634838722423,2.269613771099939,1.6887036482612725
[C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=O],CCCC(C(=O)NC1=CC=C(F)C(F)=C1)N2C=C(C)C=CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0120>,3.4148200000000015,0.9175924383286721,2.7123043823547306,1.8756578092886302
[O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=N],O=S(=O)(C1=CC=CC(F)=C1)N2CCN(CC3=CC=CN=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0190>,1.7272,0.8538040951148101,1.9073992135332745,2.361621262040776
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C],CC(=O)C1=CC=C(NC(=O)C2=CC=CC(NS(C)(=O)=O)=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0200>,2.8214200000000016,0.8143664045797645,1.893913277362799,2.177918745536024
[C][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][S][Ring1][P],CC(=O)NC1=NC(C(=O)OCC2=CC=C(Cl)C=C2C)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0270>,3.420320000000002,0.8749015315996146,2.1205231960289854,2.253984461969088
[C][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],CCCCNC(=O)CN1C(=O)[NH1]C(=O)C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A02E0>,0.6061000000000004,0.7839481299755969,1.9698146964903387,1.949925953387646
[C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1],COC1=CC=C2C(C)=C3C(=O)N(C)C(=O)N(C)C3=NC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0350>,1.10242,0.6280243131196672,2.2017885597034255,0.9383330058949104
[C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Ring1][#Branch2],COCCS(=O)(=O)NCC1=CC=C(C(=O)NC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A03C0>,0.11200000000000054,0.7449908414596886,1.9836489435245177,1.7413052637739255
[N][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],NC1=CC(S(=O)(=O)N2CCC(CO)CC2)=NN1C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0430>,0.9865999999999997,0.8524298909131671,2.561768280453853,1.7003811741119828
[C][C][N][=C][NH1][C][=Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O],CC=1N=C[NH1]C=1C2=NC=CN2CCC3=NC(C4=CC=NC=C4)=NO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A04A0>,2.2693199999999996,0.6052321119051662,2.9072505721373645,0.11890998738846648
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],CC1=NN(C)C(C)=C1C(=O)NC2=CC=CC=C2C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0510>,3.4126400000000023,0.929504915583833,1.9703055389811812,2.6772190389379835
[C][C][C][=C][Branch2][Ring1][Branch2][C][S][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Ring1][N][C][O][C][O][Ring2][Ring1][Ring1],CC1C=C(C=2SC3=NC(C)=C(C)C(C)=C3C=2C)OCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0580>,4.263680000000004,0.7855967244850867,3.8496194257513565,0.07836419667407668
[C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N],COC(=O)CN(C)C(=O)C1=CN=C(CC2=CC=CC=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A05F0>,1.9788999999999997,0.7925705307996135,2.2366496178246074,1.7262030361734602
[C][C][=N][C][Branch1][P][C][C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][P],CC1=NC(CCNCC2=CC=C(Br)C=C2Cl)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0660>,3.1262200000000018,0.8558485224806928,2.317110448616349,1.962132163787115
[C][C][=C][C][=C][C][NH1][C][Branch2][Ring1][Ring1][C][C][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=N][C][Ring2][Ring1][=Branch1][=Ring1][P],C1C=CC=CC=2[NH1]C(CCC3=NC(C4CCOC4)=NO3)=NC1=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A06D0>,2.2073,0.9360997863082484,3.8883019525816387,0.7921969789596037
[C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2],CC1=NOC(C2=CC=CC=C2)=C1C(=O)NC3=NC(C4CC4)=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0740>,4.236220000000002,0.7789330435108976,2.3303467659808277,1.5643184515736603
[C][O][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],COC(=O)C1NC2=CC=CC=C2C(=O)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A07B0>,2.557200000000001,0.8067123253205182,2.6483621861488533,1.3851994404537376
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1],CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0820>,3.343600000000002,0.8958437605920021,1.8139717371430457,2.665247065816965
[C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],CC=NC(N(C1)C)=NC2=NC=CC=C2C(=O)C1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0890>,3.0717000000000017,0.7607939162137014,3.5624022844526326,0.2415672966158744
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][F],CCC=1ON=C(C)C=1NC(=O)N(C)CC2=CC=C(OC)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0900>,3.357020000000002,0.9167241916182045,2.511460652094714,2.0721603059963085
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][P],CCNC(=O)C=C1C=CC(CNC(=O)NCCOCC2CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0970>,1.2708999999999997,0.4422181604502388,2.9865577611395135,-0.7754669588883196
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=C][Ring1][P],CCOC(=O)C1=CC=C(NC(=O)C2=CC=C(F)C=C2F)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A09E0>,2.7888,0.8819661096786009,1.8851632058626713,2.524667342530333
[C][C][=C][C][=C][C][Branch1][S][O][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][Ring1][S][=C][Branch1][Ring1][C][#N][N][Ring2][Ring1][Ring1][C],C1C2=CC=CC(OCCC3=NC=C(S3)CC1)=C(C#N)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0A50>,3.159180000000002,0.7381208795699653,5.648562409839483,-1.957958011989657
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],COC(=O)CCC(=O)NC1=CC=C(OC(F)F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0AC0>,2.1797000000000004,0.8067341838163942,1.7939646239978906,2.23970629508408
[C][C][N][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][P][=O],CCN1CC(C(=O)NCC2=CC(F)=CC(Cl)=C2)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0B30>,1.9636999999999998,0.9236712730607928,2.5965173278492593,2.021839037454704
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1],CC(=O)C1=C(C)N(CC(=O)N(C)C2CC2)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0BA0>,2.7731200000000014,0.8101779943479264,2.1977197337924945,1.853170237947137
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][Ring1][P][=O],CN(C)C(=O)C1C=C(NC(=O)C2=CC=C(F)C=C2F)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0C10>,1.4218,0.8567640520619743,3.2262197669701154,1.0576004933397556
[C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2],COC(=O)C(CO)NC(=O)C1=CN=C(C(C)(C)C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0C80>,0.7042999999999995,0.7955948599430315,2.9086495529054144,1.0693247468097429
[C][C][Branch1][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],CC(C)CC(C(=O)OC)OC1=CC(O)=CC(Cl)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0CF0>,3.6655000000000024,0.8433889902829721,2.9350237067515685,1.281921244663292
[C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][O],CC=1N=CSC=1C(=O)N2CCN(C3=CC=CS3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0D60>,2.4754200000000006,0.8532776800106863,2.4900027896783623,1.776385610375069
[C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],CN(CC1=CC=C(Cl)C=C1)C(=O)NCC2CC3=CC=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0DD0>,3.485100000000002,0.9320653971727033,2.499540046690397,2.1607869391731196
[C][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1][F],CC1=CC=C(N2CC(C(=O)NC(C)C(C)(C)C)CC2=O)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0E40>,3.0378200000000017,0.9304288083036273,2.9881616363813865,1.6639824051367498
[C][C][C][=C][C][=N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=C][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1],CCC1=CC=NC(C(=O)NCC(C(C)C)CC)=C[NH1]C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0EB0>,3.5085000000000015,0.8416669635961552,3.474884245029508,0.7334505729512681
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=N][=O],CC(C)NC(=O)NC(C(=O)OC(C)(C)C)CCCCCC=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0F20>,2.5537,0.3889983234259776,2.7996314678939154,-0.8546398507640274
[O][=C][C][C][=C][C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][O][N][=C][Ring1][#C][C][Ring2][Ring1][Ring1],O=C1CC=C2C(C(O)C3=CC=C(Cl)C=C3)=CON=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9A0F90>,2.932800000000001,0.9104642862591092,3.9214407286589736,0.6308807026365724
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][C][C][Ring1][=N][=N][O][Ring2][Ring1][Ring2],CCOC(=O)C1=CC(C(=O)N2CCC(N3C=C(CO)N=N3)CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7040>,0.4123999999999997,0.7699891990023817,2.6815964149415397,1.1683495800703687
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][C][=C][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],CN(C)S(=O)(=O)NC1CCC(CC=CC2=NC=CS2)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B70B0>,3.5611000000000024,0.8371417096741478,3.8047029843150266,0.3810055640557124
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][#Branch1][C],CC1=CC=C(C(=O)N2CCCN(C3=CC=C(F)C(F)=C3)C2=O)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7120>,4.054140000000003,0.8244263887592296,2.168724814771961,1.9534071290241872
[C][C][=C][C][=C][N][Branch2][Ring1][S][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][C][=Branch1][Ring2][=N][Ring1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1],CC=C1C=CN(C(C)(C)NC(=O)C2=CN3C(=N2)COCC(C)C)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7190>,2.4724000000000004,0.9115201621182705,5.084243937376737,-0.5266431267853848
[C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C],COC(=O)NC=C1C(C(C)(C)C)=NC(N2CCOCC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7200>,1.3727,0.7923211257567481,3.307833275604583,0.653772353179157
[C][C][C][N][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][Branch1],CCCN1C=C(CN(C)CC2=CC(=O)[NH1]C3=CC=CC=C23)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7270>,3.075020000000001,0.7579655106333272,2.4105803153022354,1.3792472378644005
[C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],CN(CC1=CSC=N1)S(=O)(=O)C2=C(Cl)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B72E0>,3.2706000000000026,0.8603467541734228,2.446286221631027,1.8554475492360867
[C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2],CCCC(NC(=O)C1=CC=CC=N1)C2=CC=C3C(=C2)OCCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7350>,3.5141000000000018,0.9131547963650569,2.6303081826016843,1.9354657992236
[C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring2][Ring1][Ring2],CCC(=O)NCCN(CC1=NN=NN1CC2=CC=CC=C2Cl)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B73C0>,1.3328,0.7867859410108309,2.320815512618804,1.6131141924353507
[C][C][C][=C][C][=N][C][Branch1][S][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1],CCC=CC1=NC(CNC(=O)C2(C#N)CC2)=C3C=CC=CC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7430>,2.9729800000000015,0.9207414446475729,2.921787583624722,1.6819196396131426
[O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][O][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1],OCC1=CC=C(CNC2CCC3=C(Cl)C=CC(Cl)=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B74A0>,4.262800000000003,0.8812761807433994,2.7056236144284505,1.7007572892885463
[C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][Branch1][Branch2][C][C][=C][O][C][=Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C],CCNS(=O)(=O)C1=CC=CC(NCC2=NOC(C=3C=COC=3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7510>,2.2398999999999996,0.6734319459766185,2.5494127371003863,0.8177469927827064
[C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][C][Ring1][#C],CC=1C=CSC=1CN2CCCN(C(=O)C3=CC(Cl)=C[NH1]3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7580>,3.386120000000002,0.9321238504363197,2.451446434109835,2.209172818071764
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][Ring1][S],COCCNC(=O)CN1CCOC2(C=CC3=CC=CC=C3C2=O)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B75F0>,0.7297000000000005,0.8063689892690517,3.7076563371330833,0.3241886092121753
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1],COC1=CC=CC=C1CN(CCO)C(=O)C=2C=CSC=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7660>,2.391400000000001,0.8887992369793509,2.094314175958239,2.3496820089385153
[C][N][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],CN(CCC1=CC=CC=C1F)C(=O)C2=CC=C(N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B76D0>,2.722600000000001,0.8698368632346378,1.8297212898969324,2.5194630262762567
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][P],CC(=O)N(C)CC1=CC=CC(NC(=O)CC2=CC=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7740>,2.9852000000000016,0.9221451689291499,1.8675287152815283,2.743197129364221
[C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#Branch2][S][Ring1][P],CCC1=CC=C(C(=O)N2CCCN(C(C)=O)CC2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B77B0>,2.0049,0.831176269839968,2.08075228169578,2.0751290675040597
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=N][C][Branch1][C][C][=N][S][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][Ring2][C],CC(=O)C1=C(C)[NH1]C(C(=O)N2CCN(C3=NC(C)=NS3)CC2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7820>,1.95646,0.8584161557473783,2.581174062731277,1.7109067160056144
[C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1],CC1=NC(C(=O)N2CCC3=CC=CC=C32)=C4C=CC=CC4=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7890>,3.1411200000000017,0.6911068050771749,2.100554847571372,1.3549791778145028
[C][C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][#N][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][C][O][Ring2][Ring1][Ring1],CCC1=CC(C(=O)N(CCC#N)CCC(F)(F)F)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7900>,3.458700000000002,0.8082867133090532,2.7452282358167857,1.2962053307284807
[C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][O][Ring2][Ring1][Ring1],CC1CN(C(=O)NC2=CC=C(C(F)(F)F)C=C2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7970>,2.958000000000001,0.8628979049202508,2.4615425026744315,1.8529470219268225
[C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][C][Ring2][Ring1][Ring2],CCOC(=O)N1CCN(C(=O)CC2=CSC(C3=CC=CC=N3)=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B79E0>,2.0483000000000002,0.8340545094020718,2.2154589284843347,1.9548136185260248
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O],COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC=CC=C2C(C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7A50>,2.4766000000000004,0.6704773814970885,1.8550298828639455,1.497357024621497
[C][=C][C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][P][S][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][N][Ring1][#C][C][=C][C][=C][Ring2][Ring1][Branch1],C=C1C(C2=NN=C(SCC3=NOC(C4CC4)=N3)N2)C=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7AC0>,3.1232000000000015,0.8542209643526921,4.080228591567654,0.1908762301958058
[C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][=N][NH1][Ring1][=N],CN(CCC#N)C(=O)C=C1C(C2=CC(F)=CC=C2OC)=N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7B30>,1.39758,0.8339690556264261,3.0157584139332894,1.1540868641988409
[C][C][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][C][C][C][C][Ring1][P][=O],CCCCNN=C(C1=CC=CC=C1)C=C(C(=O)[NH1]CC)CC=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7BA0>,2.4319000000000006,0.22897136309202085,3.077292672382118,-1.9324358569220137
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][Branch1][C][C][S][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][=N][NH1][Ring1][O][=N][Ring2][Ring1][Ring1],CC(C)C1=NOC(C(C)SC2=NC(CC3CCCC3)=N[NH1]2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7C10>,3.897100000000002,0.8127791762499577,3.448978076457765,0.6149178047920234
[C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],CN(C1CCCCCC1)S(=O)(=O)C2=CC=C(C#N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7C80>,2.901580000000002,0.8047359281866914,2.0322015096771526,1.9914781312563044
[C][C][C][O][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][=O],CCC1OC2=CC=C(N)N=C2N(CC3=CC=CC=C3C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7CF0>,2.676420000000001,0.945400411566413,2.9470884628455707,1.7799135949864944
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O][C],CCNC(=O)C1=CC=CC=C1NC(S(N)(=O)=O)=CC=COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7D60>,1.1382000000000003,0.514109585255629,2.922604895648295,-0.35205696937014963
[C][C][C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][N][N][=C][C][=C][Ring1][Branch1][N][=Ring2][Ring1][Branch1],CCC=1C=C(NCC23CC4CC(CC(C4)C2)C3)N5N=CC=C5N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7DD0>,3.9200000000000035,0.9304165702758669,3.9482950730952,0.7037877782841342
[O][=C][Branch1][#Branch2][N][C][C][C][C][N][C][Ring1][=Branch1][=O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Ring1][N][C][C][O],O=C(NC1CCCNC1=2)ON=C(C3=CC=CC=C3)NC=2CCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7E40>,1.0236,0.6247439585374838,4.201825134100726,-1.0781053414133068
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(NC(=O)C2=CN=C(C3CCCO3)S2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7EB0>,3.4495000000000022,0.8772564956086923,2.746540713820403,1.639741764223059
[C][C][O][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=C][Ring2][Ring1][C],CCOCCN1C(=O)[NH1]C2=CC(C(=O)NCC(F)(F)F)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7F20>,1.6581999999999997,0.7905867255471947,2.3572474652815245,1.5956861624544487
[C][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],CCN(CC(=O)OC)CCOC1=CC=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9B7F90>,1.5688999999999995,0.6690842985826011,1.8587122236406266,1.486709269272379
[C][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C][C],CC(=O)C1=C(F)C=C(S(=O)(=O)NC2=CC=C(F)C=N2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C040>,2.6716200000000008,0.8765283661973156,2.3594951955179173,2.0231466354686605
[C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][=C][Branch1][C][C][N][Ring2][Ring1][C][C][=N][C][=C][S][Ring1][Branch1],CC1=CC(C(=O)COC2=CC=C(F)C(C)=C2)=C(C)N1C3=NC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C0B0>,4.259860000000003,0.6497030838297804,2.329814204678881,0.9187012144700208
[C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring2][C],COC1=CC(CN(C)C(=O)NCCC2=CC=NC=C2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C120>,2.782720000000001,0.8919820700505742,2.017352554038924,2.442557796213947
[C][O][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][C][=N][N][=N][Ring1][Branch1][C][C][Ring2][Ring1][C],COC1(C)CC(N(C)C(=O)CCCN2C=NN=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C190>,0.8692999999999993,0.7732819568099675,3.7709246206076736,0.09548516344216385
[C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=N][C],CCCCCC(C)NC1=CC(C)=C(C(=O)N(C)C)C(C)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C200>,4.694360000000004,0.7408646104216687,2.814265420148555,0.890057631959789
[C][=C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],C=CCNC(=O)CNC(=O)NC1=CC=NN1C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C270>,1.8119999999999992,0.7003908905793358,2.44792995059335,1.0540245023033288
[C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N],CN1N=NN=C1SCCC(=O)N2CC=C(C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C2E0>,2.0081999999999995,0.7852832881439968,2.4076339176351436,1.5187825230848406
[C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Ring1][N][C],CC(C)(C)NS(=O)(=O)CC1=CC(NC(=O)C(C)C)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C350>,2.8074200000000014,0.8734270652877874,2.2787322640693493,2.0884030623695873
[N][#C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Ring2],N#CC1=CC=C(N2CCN(C(=O)CC3=CC=CS3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C3C0>,2.5110800000000006,0.8748492124968676,2.0284445110329106,2.3458015514514274
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CS(=O)(=O)N1CCCNC1COC2=CC=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C430>,1.7996000000000003,0.9331222315295356,2.9170571973368844,1.7485539603107938
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Br][N][C][C][O][C][C][Ring1][=Branch1],CC(C)(CNC(=O)C1=CC=CC(Cl)=C1Br)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C4A0>,2.943100000000002,0.879554043525735,2.4793629838273947,1.9184072338012799
[C][O][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],COCCNC(=O)C1CC=CCC1CNC(=O)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C510>,1.9004999999999999,0.5911050393865167,3.026718794687832,-0.07119359775524803
[N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Branch1],NC1=CC=C(C(=O)NCCNC(=O)C2=CC=CC=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C580>,1.5676999999999999,0.5787134478021301,1.7113044986259638,1.1822627403846866
[C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][O][Ring2][Ring1][#Branch1],CC1=CC(NC(=O)C(C)OC(=O)C2=CC=C3C=CC=CC3=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C5F0>,3.3202200000000017,0.7445459185519466,2.416832254999875,1.3058973377598582
[O][=C][Branch1][#Branch2][C][S][C][=N][N][=C][S][Ring1][Branch1][N][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][=O],O=C(CSC1=NN=CS1)NCC2CCN(C3=CC=C(Cl)C=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C660>,2.4529000000000005,0.7765056633058767,3.0123873799261,0.8701409366032835
[C][C][Branch1][P][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(SC1=NN=NN1C2=CC=CC=C2)C(=O)NC3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C6D0>,2.920700000000001,0.7212694252173923,2.3287666441401473,1.2775804819468144
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][Branch1][C][N][=C][Ring1][N][C][#N][C][=C][Ring2][Ring1][Branch1][O][C],COC=CC=C(C=C1C(C2=CC=C(C)O2)=NC(N)=C1C#N)COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C740>,2.743900000000001,0.6408873992597484,3.868595146125494,-0.6641581498267524
[C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],CC1=NOC(C(C)C)=C1C(=O)NCC2=CC=CC=C2C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C7B0>,4.055220000000003,0.9218003162837721,2.303126621609069,2.305874959809792
[N][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1][C][C][=N][Ring2][Ring1][Ring2],N1C(=O)CC=CSC1NCC2=CC(Cl)=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C820>,2.2512,0.8919049409233063,3.7000710293086527,0.7594536753078787
[C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(=O)N(CC1=CC2=CC(C)=CC=C2[NH1]C1=O)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C890>,3.3896200000000016,0.806145426802792,2.081713737470876,1.9490133965430836
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O],CC1=NOC(C)=C1NC(=O)N(C)C(C)C2=CC=CC(N3C=CC=N3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C900>,3.702040000000002,0.7861059328272618,2.969951449953143,0.9605782141831658
[C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][C][Ring1][S],CC(C(N)=O)N1CCN(C2=CC=CC(C(F)(F)F)=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C970>,1.0962000000000005,0.9079189309686837,2.7229483107847265,1.8166463440586922
[C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring2][Ring1][C],CC1=CC=C(C=C1C)OC(C(=O)N(C)CC=2C=NN(C)C=2)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99C9E0>,2.46284,0.8520831335273853,2.6348379665676536,1.6255777010692727
[C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][P][=O],CC(C(=O)NC1C(=O)N2CCCC2)OC3=CC=CC=C3NC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CA50>,0.5131999999999988,0.7390218063883526,3.660305882972489,0.034803148969273945
[C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1],CCOC1=CC=C(CC(=O)N2CCCC(N3N=C(C)N=C3C)C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CAC0>,2.699840000000001,0.8381239239006779,2.758131121830562,1.4324884976728276
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(OCC(=O)NC2=NC(C3=CC=CC=N3)=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CB30>,3.5310200000000016,0.7792145883515657,1.9657804159129846,1.9302925258448438
[C][C][Branch1][C][C][C][Branch1][=N][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][N][=C][Branch1][C][N][C][=C][Ring1][=Branch1][C][#N],CC(C)C(CNCC1=CC=CN=C1N2)N=C(N)C=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CBA0>,1.3859799999999998,0.7233774608566198,4.563548328111826,-0.9466610238287267
[C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][#Branch2][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C],CCCC(C)NC(=O)CC(C(=O)NC)CCC=1C(C)=N[NH1]C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CC10>,2.01624,0.649815499759104,3.335578880005029,-0.08650138120950857
[C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][S][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2],C1N2N=C(C3)C(CCCCN1C(=O)CC4=CC=C(F)C(F)=C4C)=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CC80>,2.739020000000001,0.7241200257090356,5.004446282149196,-1.3838461536040185
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][=Branch1][C][=O][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring2],CNC(=O)C1=CC=CC(OC(=O)CCCC2=CC(F)=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CCF0>,3.2527000000000017,0.6520548051680698,2.0205241931978257,1.2397498326425231
[C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][Branch1][C][C][C][#N][C][=Ring1][#C][C][C][C][C][Ring1][Ring2],CCN(C(=O)C=1N=C(C2=CC=CC=N2)N(CCC#N)C=1C3)CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CD60>,2.657180000000001,0.8666616700236769,2.781468255495035,1.5518400946233495
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],CCN1C=NN=C1CNC(=O)CCN2N=NC3=CC=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CDD0>,0.1093999999999995,0.6883027823015081,2.3935050447926933,1.0480088667148473
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl],CC(C)C(=O)NCCNC(=O)C1=NC(C)=C(Br)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CE40>,2.30792,0.7896691384885774,2.3832690609937597,1.5650766314491276
[N][#C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Branch2],N#CC=CC=CCCN1C=CN=C1CNC(=O)C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CEB0>,3.1173800000000016,0.6207045939400399,2.847867270846198,0.2556556988540013
[O][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][C][C][Ring1][=Branch1][O][C][C][Ring1][=N][O][C][C][C][C][O],O1C2=CC(F)=CC(=C2)C1(C3=CC=CCC3OCC)OCCCCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CF20>,3.4514000000000027,0.739885897397353,4.965922432444469,-1.2664929454577036
[C][O][C][=C][C][=C][N][=C][Branch1][=C][N][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][#Branch2][C][=C][C][Ring1][#C][=N][Ring2][Ring1][Ring1],COC=C1C=CN=C(N2C=NC3=CC=CN=C3[NH1]2)C=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F99CF90>,2.4245,0.8071664126861227,4.5224832328398445,-0.4866511694092317
[C][C][=N][O][C][Branch2][Ring1][#C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=N][Ring2][Ring1][Branch2],CC1=NOC(C2CCCN2C(=O)C=3C=C(C)N(C4=CC=CC=C4)C=3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E040>,3.4544400000000017,0.7346575478948529,2.923469691711386,0.7498180477628789
[C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C],CCCC(=O)NCC(=O)NC1=CC=CC=C1C(=O)CCC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E0B0>,3.160300000000001,0.6867510400725776,1.9800254872595495,1.4537297131033382
[C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][Ring1],CC(=O)N1CCOC=C2C(S(=O)(=O)N3CCOCC3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E120>,0.19240000000000013,0.7240877561993866,3.3131481710825392,0.3072906099143937
[O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O],O=C(NC1=CC=C(N2C=NC=N2)C(F)=C1)C=3C=NN(C4=CC=CC=C4)C=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E190>,2.844400000000001,0.61511613763563,2.206566736427222,0.8690139517509281
[O][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],O=C(CCN1CCOCC1)C2=CC=C(Cl)C=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E200>,2.8984000000000014,0.7978318280314993,1.9392000413765302,2.0499590987809664
[C][O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2],COCCSC1=CC=CC=C1C(=O)NCC2=CC=C(OC)C(O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E270>,3.069300000000001,0.567345873104662,2.027518324352009,0.8092110411713009
[C][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][#N][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(=O)N(CC1=CC=CC=C1C(=O)CC)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E2E0>,3.049900000000001,0.6573011718784512,2.5248375011073527,0.7616683582849033
[C][S][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1],CSC1=CC=C(C(=O)NCCCC2(CCC3=CC=CC=C32)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E350>,4.822600000000004,0.6035576702671899,2.7688475805949953,0.2489407707409539
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][S],CC(=O)C1=CC=C(N(CC=2C=CSC=2)C3CC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E3C0>,4.1197000000000035,0.7624005254222729,2.1789591999347735,1.6330434271765908
[C][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],CCC(C)N(CC1=CC=CC=C1)C(=O)NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E430>,3.789900000000003,0.8777843836801484,2.459738999043836,1.9291829193569061
[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2],CC(=O)N1CCN(C(=O)NCCCSC2=CC=C(Cl)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E4A0>,2.695900000000001,0.65230883221613,2.0591359859915848,1.2024081750890652
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][S],COC1=CC=CC=C1N2CCN(C(=O)C3=CC(C)=CC=C3F)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E510>,3.105120000000001,0.8678391206623284,1.7920828039900165,2.547112799321625
[C][C][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1],CCC1=CC=C(C(C)NC(=O)NC(C)C(=O)N2CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E580>,3.010200000000002,0.8710898041038819,2.6824018432459464,1.673047177273463
[C][O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][Ring1][S],COCC1CN(S(=O)(=O)C2=CC=C(F)C=C2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E5F0>,0.8616000000000004,0.8248112539242081,2.519502667564341,1.6045536020566997
[C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][F][=C][Ring1][P],COC1=CC=C(C(=O)CCN2CCOCC2)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E660>,1.7393,0.7617387968007172,1.9589335589091323,1.8497604250944537
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Ring1][N][C][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(CNC(=O)C=2C=NN(C3=CC=CC(C)=C3)C=2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E6D0>,3.427740000000002,0.7770644531516264,1.869886122417162,2.0154361433409704
[C][=C][C][N][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Branch1][C][C][C],C=CCNC(=O)CN(C(=O)C1=CC(C)=CC(C)=C1)CC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E740>,2.7038400000000005,0.7873374105212426,2.25904252276694,1.6776445298392733
[O][=C][O][C][=Branch1][C][=O][NH1][C][S][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][Ring1][O][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=COC(=O)[NH1]CSC=C(C(=O)OC)CC1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E7B0>,1.8593,0.20669020455418466,3.125758092400879,-2.092307069629956
[O][=C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)NCC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E820>,1.5594999999999999,0.8379335867047735,1.7636977056661394,2.4259702278577278
[C][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][=Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch2],CCC=C1C=C(C(=O)OCC2=NC(N)=NCNC=C3C=CC(C)=C3)N2C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E890>,2.2531000000000008,0.3449980905855269,4.47317611168817,-2.7481856587605358
[C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1],CN(CC1=CC=C2C(=C1)OCCO2)C(=O)C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E900>,2.996500000000001,0.8583665722839107,2.053721804543141,2.238111056876413
[C][C][C][=N][NH1][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C],CCC1=N[NH1]C(C(=O)N(C)CC2=CC(Cl)=CC3=C2OCOC3)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E970>,3.0726200000000015,0.9206903683972345,2.9915528958384687,1.6118989461477042
[C][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O],COCC1CCCN1C(=O)NC2=CC=CN(CC3=CC=CC=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F98E9E0>,2.539300000000001,0.9089024910411887,2.6201081532498467,1.9244043019560966
[C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][=C][Ring2][Ring1][#Branch1][Ring1][=N],C1C=CC(C2=CC=CC=C2)=NC=CN(CC(=O)NC(C)C)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EA50>,2.7192000000000007,0.929370117838268,3.7238463403966886,0.9230042487946513
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N],CC1=NN(C)C(C)=C1C(=O)NC=2N=CN(CC3=CC=CC=C3)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EAC0>,1.9290399999999999,0.7984867381348861,2.217510423861407,1.7749232668130235
[C][N][C][=N][C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][=O][C][Ring1][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch1],CN1C=NC(S(=O)(=O)N2C3CC(CC(C3)CC2)=O)CCC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EB30>,1.3533999999999995,0.7683577636023323,5.466038333103816,-1.624249515092154
[C][O][C][=N][C][=C][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=N][NH1][Ring1][S][=C][Ring2][Ring1][=Branch1],COC=NC=CC1=CC(COC2=CC=C(C(N)=O)C=C2)=N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EBA0>,1.7329999999999999,0.6000826890626721,3.1866640165274163,-0.18625057121405542
[C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C],COC1=CC=C(C(=O)NCC2=CC=CC=N2)C(OC)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EC10>,2.0374,0.8839826989300734,1.9177439527202562,2.502169541930111
[C][C][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1],CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1NC(=O)CC3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EC80>,4.444340000000003,0.7313867624759823,2.0765031659809683,1.5804306463989435
[C][C][=C][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][Ring1][=Branch2][C][=N][NH1][Ring2][Ring1][=Branch1],C1C=CN=C(C(=O)N2CCC(C3C2)CN(C)C(=O)CO3)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98ECF0>,-0.792499999999998,0.6870307354699292,4.232939203890163,-0.7977855265405172
[C][C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N][N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=Ring2][Ring1][Branch2],CC=1C=C(N2CCC(OC3=CC=CN=N3)CC2)N4N=C(C)C(C)=C4N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98ED60>,2.4923600000000006,0.730756125958701,2.8137320054074113,0.8400486243860934
[O][=C][Branch1][=C][N][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1],O=C(NCCCCN1CCOCC1)C2=CC=C(Cl)C3=CC=CN=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EDD0>,2.7304000000000013,0.8162858628456292,2.102858738055952,1.978570576172194
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C],COC(=O)C(NC(=O)CC(CC(C)C1)CCC(C)CC1)C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EE40>,4.323000000000003,0.7759600671377137,3.8925227078361715,-0.012722372147603078
[C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][Branch1][C][C][C][Ring1][S],CC1CCN(C(=O)NCC(F)(F)F)C(Cl)(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EEB0>,2.9452000000000016,0.5776398595186172,3.8103016058579904,-0.9221023082649045
[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1],CCCC1C(CC)C(=O)C(C2=CC=C3C(=C2)OCCO3)(O)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EF20>,2.3971000000000005,0.925073748134889,3.8249426503902386,0.8004260902842057
[C][C][=C][C][=N][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1],C=1C=C2C=NC=NC(C(=O)NCCOCC(F)(F)F)=NN2C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F98EF90>,0.8055999999999999,0.8158589094841272,3.7336424638865093,0.3456520835341266
[C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][=C][C][=C][Ring2][Ring1][C][F],CC1=CC(S(=O)(=O)NCC(O)C2=CC=CS2)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A040>,2.2075200000000006,0.8888023521544095,2.669519285891216,1.774492474880832
[C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][=N][Ring2][Ring1][Ring2],CCOC1=CC=CC(C(=O)NCCC2=NC(C(C)(C)C)=CS2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A0B0>,3.206800000000002,0.8814866682450525,2.4412743883584493,1.966158952866813
[C][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][N][=C][Ring1][=C][Ring1][P],CC(=O)NCCN1C=NC2=CC=C(N)C=C(CC(=O)OC)N=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A120>,-1.2774999999999976,0.6572611037424161,3.6997945806661408,-0.4134890619540603
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1],CCC1=NOC(C)=C1NC(=O)NC2=CC=CC=C2C(=O)N3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A190>,3.815520000000003,0.8717313472428733,2.2620791776133498,2.096577558601017
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N],CCC1=NOC(C)=C1C(=O)NC2=CC=C(N3C=CN=C3)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A200>,3.1225200000000015,0.802759356844396,2.3955719623229452,1.6182248218990347
[C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][C][Ring1][P][Branch1][C][Cl][Cl],CC1(CNC(=O)NCC2=CSC(C3CC3)=N2)CC1(Cl)Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A270>,3.4036000000000017,0.8110827007981327,3.40532143041336,0.6500920735773041
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C],CS(=O)(=O)N1CCC(C(=O)NCC(=O)C2=CC=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A2E0>,0.6571000000000005,0.806500446303295,1.9283722853078178,2.1041299462086567
[C][C][=N][N][Branch1][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1],CC1=NN(C)C(C(C)(C)C)=C1C(=O)NC2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A350>,2.6733200000000004,0.9139692895683024,2.3962747697504128,2.1735716780910987
[C][O][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S],COCCNC(=O)C1CCN(C(=O)C2=CC(F)=CC=C2C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A3C0>,1.74892,0.8403725548488306,1.9152157345122944,2.286647039731858
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][Branch1][C][C][O][Ring1][Branch1],CCOC(=O)C=C(CNC1=CC=CC(C)=C1)N2CC(C)O2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A430>,2.4896200000000004,0.6441540049278128,3.285804516285215,-0.06503449164615116
[C][#C][C][N][C][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][Ring2][Ring1][C],C#CCNCC1=CC=CC(C(=O)NCC(F)(F)F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A4A0>,1.7015000000000002,0.6313823135551366,2.284680304471264,0.8722312633044194
[C][C][O][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O][C][Ring2][Ring1][Ring2],CCOCC1CCCN(C(=O)NC2=CC=C(OCC3CC3)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A510>,3.7558000000000025,0.8270302154558762,2.541511794641819,1.5936392826375618
[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C][=O],O=C(CC1=CC=CC=C1)C2CCN(C(=O)NC3=CC=C(F)C=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A580>,3.017900000000001,0.8702253558710712,2.607118337431862,1.7440084419234942
[C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][Ring1],CC(C)OC1=CC=CC(CN2C(=O)[NH1]C3=CC=CC=C3C2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A5F0>,2.5253000000000005,0.8051334378029307,1.948036577707562,2.0776306113070913
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][=N],COC(=O)C(C)CNC(=O)NC1=CC=C(C)C(N2CCCC2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A660>,2.0524199999999997,0.8074244895090703,2.653939371412873,1.3831830761324788
[N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O][C][C][Ring2][Ring1][Ring1],NC(=O)CC1CCN(C(=O)C2=CC=CC(OCC(F)F)=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A6D0>,1.4530999999999994,0.856809521237392,2.5244486672046023,1.7595989389823572
[C][C][Branch1][C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][Ring2][Ring1][Ring2][=O],C1C(C)CC2=NC=3SC=4C(=O)N(N)C=NC=4C=3C=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A740>,1.4849999999999999,0.6350430887379362,3.531459077270693,-0.35624363358101174
[C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(C(C)NC(=O)C2=CC(C)=CC=C2N3C=NN=N3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A7B0>,2.47032,0.7732718614274937,2.528136755633378,1.3382225515040904
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][N][C][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][N][S][Ring2][Ring1][C],CC1=NC(C)=C(C2NCCC3=CC(F)=C(F)C=C32)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A820>,3.273240000000002,0.8668988761841186,3.255031259726895,1.0794631211936982
[C][C][=C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][#N],CC1=CC(OC2=NC=CC=N2)=CC=C1NC(=O)N(C)CCC#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A890>,2.9547000000000008,0.9162698943120746,2.380111133920579,2.2012383376397944
[C][O][C][C][=N][O][C][Branch2][Ring1][Branch2][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][N][Ring1][Branch2][=N][Ring1][P],COCC=NOC(C=C(C)C=C(C1)C=C(N)N=CN=C1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A900>,1.78807,0.4575249205354394,4.654042577407397,-2.3664179747302
[C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1][=O],CN1C(C2=CC=CC=C2)=NN(CCNC(=O)OC(C)(C)C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A970>,1.7734999999999999,0.9317514803533149,2.1921551575892178,2.4666022441773565
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][Ring1][=C],CC(C)(C)CC(=O)NC1=CC=C(Cl)C(S(=O)(=O)NC2CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2A9E0>,3.155400000000001,0.861079201427901,2.129932641006386,2.175463366133119
[C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=Ring1][P][C],CC=1SC(=O)N(CC(=O)OC2CCCC(C)C2)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AA50>,2.6485400000000006,0.8012616888166265,3.307546420473636,0.6987620236094969
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring2][Ring1][C],CCS(=O)(=O)N1CCN(CC(=O)NC2=CC=C(C)C(Cl)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AAC0>,1.5542200000000004,0.8656570853616138,1.9728958169298778,2.3553896098781912
[O][=C][C][N][Branch2][Ring1][=Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][N][Ring2][Ring1][Ring1],O=C1CN(CC2=NC(C3=CC=CC(N)=C3)=CS2)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AB30>,1.3241,0.8357948858079862,2.394826140219024,1.7841482888209068
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2ABA0>,2.806120000000001,0.8821154134494517,1.7082633306661403,2.702313736581118
[C][O][C][=Branch1][C][=O][C][=N][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=C][Ring1][=C][C][#N],COC(=O)C1=NOC(C(=O)N(C2CC2)C3CC3)=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AC10>,1.0998800000000002,0.763208699716044,2.9253029748786172,0.8907405237016026
[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C],CCCCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AC80>,1.5796,0.7884611983612616,2.0185751095122964,1.9237308822940116
[C][C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][C],CCOC1=CC(C(=O)NC2=CC=CN=C2N3C=CC=N3)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2ACF0>,2.9269000000000016,0.7475170484495933,2.0698723900227964,1.6677128522251703
[C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][N][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],CCC(C(=O)N1CCCCC1)NN=C(C#N)C=CC2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AD60>,2.35508,0.6428334158232246,3.4093465772505143,-0.19517949813439106
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=N],CCC(C)NC(=O)CC1=CSC(NC(=O)C2=CC=CS2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2ADD0>,2.9141000000000012,0.858421743599034,2.5984371737504848,1.693671544244685
[C][O][C][=C][C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][O],COC1=CC(CCC(=O)N2CCN(C(=O)N(C)C)CC2=C)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AE40>,1.7081,0.8487027951239288,4.008686407453755,0.23482756816588868
[C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CN(CC(=O)NC1=NC(C)=NO1)C2=CC=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AEB0>,2.6061200000000007,0.8009817142590971,2.322642038505437,1.6822665327900488
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][C],CC(=O)C1=CC=CC(NC(=O)COC2=CC=CC=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AF20>,3.560100000000002,0.8592792173179924,1.6038639594152198,2.6925321271747418
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][F],CC(=O)NC1=CC(C(=O)NC(C)C2=CC=NC=C2)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE2AF90>,2.6701000000000006,0.9117353616380124,2.3398148265928747,2.218861981597187
[C][N][N][=C][C][Branch2][Ring1][Ring2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O],C=1NN=CC=1NC(C2=CC=CC=N2)=NC=CC=CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30040>,2.9193000000000016,0.49602471136844817,3.510844348194567,-1.0307207913523264
[C][C][Branch1][C][C][C][N][N][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1],CC(C)CN1N=CC(C(=O)NCC2=CC=C(C(N)=O)C=C2)=C1C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE300B0>,2.4454000000000002,0.8109873184109502,2.258596386678315,1.7963402053764357
[C][N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CN1C=C(C(=O)NC2C=C(C)N3C=CC=C3C2)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30120>,3.1953000000000022,0.7756727785728909,3.343719067669417,0.5346448251950373
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N],CCC1=CC=CC(C)=C1NC(=O)CN2CCN(CC3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30190>,3.3137200000000018,0.8671906914592149,1.8054522586944302,2.5305011986016446
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Ring1][N][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C],CC(=O)C1=CC=C(NC(=O)NCC2=CSC(NC)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30200>,2.709100000000001,0.7416689548986197,2.072558613913264,1.6357861605798343
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2][C],COC(=O)C1=C(C)[NH1]C(C(=O)NC2=CC=CC=C2N3CCCC3)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30270>,3.270640000000002,0.837170358424594,2.083882664748071,2.1019691273748986
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][P][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][Ring2][Ring1][=Branch2],CC(C1)C=NOCC(C)N(CC2=CC=CC=N2)CC3=CC=CC(C#N)=C3N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE302E0>,3.407980000000002,0.8850513104799522,4.452526509706498,-0.027269957306737425
[C][N][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][C][Ring2][Ring1][Branch1][=O],CN1CCC(C(=O)N2CC3CC2C=CC4=CC(F)=CC=C43)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30350>,2.0153,0.7441785069282624,4.6954752260811965,-0.9745826914398847
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1],O=C(NC1=CC=CC=C1C(F)(F)F)NC2=NC=NC3=C2CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE303C0>,3.6281000000000017,0.8870769789892726,2.305772199009338,2.129612695937025
[C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][O][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][C][C][Ring2][Ring1][Ring2],CC1CCN(C(=O)CON=C(C2=CC=CO2)[NH1]CC)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30430>,1.8257999999999996,0.5107402517890264,2.715729005047555,-0.1620277461024231
[C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][C][=C][C][Ring1][Branch1][=C][Ring2][Ring1][C],C1C(=O)OC=CC(=O)[NH1]C1SCC(=O)NC(C2)=CC=CC2=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE304A0>,1.1386999999999998,0.7589099919939306,4.512315758130929,-0.7177657981612757
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C],CCOC(=O)CN(C)C(=O)C1=CC=C(Cl)C=C1OC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30510>,2.7623000000000006,0.7577914088337347,2.094864499553047,1.6940925446156267
[C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][=C][Ring2][Ring1][#Branch1],C1OC=CC=C(O)C1C(=O)NC=2C=NN(CC3=CC=CC=C3)C=2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30580>,2.7803200000000015,0.9060895534983523,3.3502736675515177,1.1801740999402437
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][Branch1][C][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],CC(=O)OC1=CC=C2C(C)=C(C(=O)N3CCC(O)CC3)CC(C)=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE305F0>,3.1757000000000017,0.6535486568112294,2.8427602586944296,0.4249830253617173
[C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][NH1][C][=Ring2][Ring1][Ring1][C],CC=1C=C(C(=O)NC2=C(C)C=C(F)C=C2C)C(=O)[NH1]C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30660>,2.9999800000000008,0.8920048887134983,2.2527650490035978,2.207259394563893
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][O][C],C1OC=CC=CC1(C(=O)N(CCC(N)=O)C2=CC=CC=C2C)OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE306D0>,1.6887199999999998,0.8603543483592958,3.7103462078600087,0.5914255339364702
[C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],CC(CC(=O)NCC=1C=NN(C(C)(C)C)C=1)C2=CC=C(C#N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30740>,3.3197800000000024,0.9168683340143066,2.9014939168674196,1.682847753204113
[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][C][O][C][=C][Ring1][=Branch2],O=C(NCC1=CC=CN=C1)C2CCCN2C(=O)C3=CC=CC(COC)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE307B0>,2.149,0.8637307040287759,2.4724224065368645,1.8462311136070149
[C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][=N][=N][N][Ring2][Ring1][Ring2][C][Branch1][C][C][C],CC1=CC(C(=O)N2CCN(CC(=O)NC(C)C)CC2)=NN1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30820>,1.0548200000000003,0.8732413294180625,2.2896257033983023,2.0765809436920106
[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][O][Ring2][Ring1][Branch1],CCN(CC1)S(=O)(=O)C2=CC(CNC(=O)C3=CC=NC=C3)=CC=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30890>,1.4145999999999992,0.8895581079275957,2.6726178667291887,1.7751726729087896
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1],CC(C)(C)CC(=O)NCC(=O)NC1=CC=CC2=C1OCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30900>,1.9486999999999994,0.8911491756483614,2.2623097380190416,2.193436140222765
[O][=C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(CN1CCN(C(=O)NCC2=CC=CN=C2)CC1)C3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30970>,1.1866999999999992,0.8279988296018924,2.1110704142588332,2.028923733750629
[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C],CNC(=O)C1=C(C)N=C(N)N=C1COC2=C(C)C=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE309E0>,1.9226599999999994,0.9000254993629392,2.3608779725713713,2.1392495242433247
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N],CC(=O)NC1=CC=C(NC(=O)C(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30A50>,2.629600000000001,0.826022005055046,1.644509658763635,2.485600366511595
[C][=C][C][=C][Branch2][Ring1][Branch2][C][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][#C][Ring1][O][C][=C][Ring2][Ring1][Branch1],C1=CC=C(C2C=NN=C3SC(C4=CC=CN=C4)=NN23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30AC0>,2.888700000000001,0.8551994432777646,3.5119752627800995,0.764021953608724
[C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][N][C][C][C][C][Ring1][Branch1][=O],COC1=CC(NC(=O)NCC2=CC=NC=C2)=CC=C1N3CCCC3=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30B30>,2.5387000000000004,0.8760132161443975,2.0866916207920276,2.29337445992996
[C][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][=N][Ring2][Ring1][Ring2],CC1=CC(N)=NC(SCC(=O)NC2=CC(Cl)=CC=C2O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30BA0>,2.4570200000000004,0.45347715767856117,2.193265636347288,0.0741201520455177
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][O][C][O][C][Branch1][C][C][C],COC1=CC=CC=C1C(NC(=O)NC(C)C(O)CO)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30C10>,1.4331999999999996,0.61310049679435,3.293536539442684,-0.22803405547093414
[C][C][=C][S][C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][=N][Ring2][Ring1][Branch1],CC1=CSC(N2CCCC(C(=O)NCC3=CC=CN=C3)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30C80>,2.3793200000000008,0.9407023714594868,2.63820791849073,2.0653039388067036
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O],CC1OC2=CC=CC=C2N(CC(=O)N(C)CC3=CC=CC=C3)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30CF0>,2.4591000000000003,0.8679199235913851,2.4562551056786095,1.883344512278316
[C][C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][=C][Ring1][Branch2][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][C][C][Ring1][O],CCOC1=C(O)C(Cl)=C2C=C1C(C3CCC3)NCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30D60>,3.4312000000000014,0.8918132714060995,4.0818850725027405,0.3771812845277571
[C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][Branch1][C][C][C][#N][C][=C][Ring1][=Branch2][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C],CCOC(=O)C1=NN(CCC#N)C=C1C2=CC(OC)=CC=C2OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30DD0>,2.657680000000001,0.7258877351909947,2.4118330336111438,1.2176056423438295
[C][C][C][=C][C][=C][C][Branch1][#C][O][C][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][#C],CCC=C1C=CC(OCCN2CCNC(=O)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30E40>,1.2248999999999999,0.7952668937367969,3.1559956035067076,0.8203388651772769
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],CC(C)CNC(=O)CC1=CC=CC=C1CC(=O)NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30EB0>,2.4532,0.7817539160314714,2.085883935211738,1.8228856449456186
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][C][=Ring1][=Branch2][C],CCOC(=O)C(C)NC(=O)C=1SC(C(C)(C)C)=NC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30F20>,2.4304200000000007,0.8668690675293377,2.804044014239791,1.5303013234068974
[C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][C][Ring1][N][N][Branch1][C][C][N][=Ring2][Ring1][C],COC(=O)C=1C=C(C2=CC=C(N3CCCCC3)OC2)N(C)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE30F90>,1.9476,0.7988803525286938,3.0995497308131315,0.8948520318303377
[C][C][=C][Branch1][C][Br][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][#C][C],CC1=C(Br)C(C(=O)NC2=CC=CN=C2)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E040>,2.1383199999999993,0.923057185654556,2.211302261054959,2.4039836672178208
[C][N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][O][C][=N][Ring2][Ring1][Ring2],CN1C=C(C(=O)NCC2=CC=CC(OCC(C)C)=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E0B0>,2.384900000000001,0.8872064875243578,2.0015067234308663,2.434525714190923
[C][C][C][C][=C][Branch2][Ring1][Branch2][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][Ring1][Branch2][N][Branch1][C][C][C][Ring2][Ring1][Ring2],CC1CC2=C(SC(=O)N2CC3=NN=C(C(C)C)O3)N(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E120>,2.0929,0.8685293436824238,3.786970829282563,0.5556758891295566
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O],CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N(C)CCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E190>,1.48234,0.9059924712691073,2.112583142978588,2.4173792133669485
[C][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][C][Ring1][Branch1][=C][S][Ring1][P],CC1=NC(C(=O)NCCCOC2CCCC2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E200>,2.5306200000000008,0.8065998760668277,2.2019183845717976,1.831080995762341
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][O][C][=C][Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(CC2COCCN2C(=O)CC3=NOC=C3C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E270>,2.00422,0.8388947634405503,3.072903098989644,1.121570718213107
[C][C][Branch1][Ring1][C][#N][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CC(C#N)CN(C)S(=O)(=O)C1=CC=C(Br)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E2E0>,2.22928,0.8553768670110238,2.6390219604522223,1.6378623746028964
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=C][S][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(CN(CC2=CC=C(F)C=C2)CC3=CSC=N3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E350>,4.493200000000003,0.6323227226208794,2.0526921446493596,1.1089214684550375
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O],COC1=CC=CC=C1CN(CC)C(=O)C2=CC=NC(N3C=NC=N3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E3C0>,2.3332000000000006,0.6901247784263708,2.2783185438689504,1.1723053482629036
[C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],COC(=O)NC(C)(C)C(=O)NCC1=CC=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E430>,1.7458199999999993,0.8701931950370341,2.0877177218050598,2.2632482533801106
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][=C][Ring2][Ring1][C][C],CC1=CC=CC(N2CCN(C(=O)C(C)(C)C)CC2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E4A0>,2.998140000000002,0.7857378820711582,1.9428747697504125,1.985814640605379
[C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1],CC(CC1=CC=C(F)C=C1)N(C)C(=O)C2=CC=NC3=CC(F)=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E510>,4.216200000000004,0.7124955901226693,2.5790191422608366,0.98345880835251
[O][=C][Branch2][Ring1][O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][C][C][Ring1][Ring1],O=C(C=1C=NN(C2=CC=CC(F)=C2)C=1C(F)F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E580>,3.058700000000001,0.6260636196733981,2.6258091465570637,0.5045089518099268
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch1],C1C=CC=C(C)C1C(=O)NCC2=CC=CC=C2SC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E5F0>,4.1399000000000035,0.8282873407798351,3.263280198522323,0.878156505376853
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2],CC(C)CNC(=O)CCNC(=O)C1=CC=C(C(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E660>,2.8762000000000008,0.8487727600346895,1.8062545175518139,2.437609282621634
[C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CC1=NC=CN1C(C)C(=O)NCC2=CC=C(Br)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E6D0>,2.8314200000000014,0.9408074353192012,2.5576240028328456,2.14641317376316
[C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N],CCN(CC1CC1)C(=O)NC2=CC=C3C(C)=CC(=O)[NH1]C3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E740>,3.1003200000000017,0.9107662307907334,2.2998305450808303,2.254000608872836
[C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring2],CC1CC(C)CN(C(=O)C2=CC=CN2CC3=CC=CS3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E7B0>,3.716000000000003,0.8481202844095489,3.103245357736318,1.137356064311426
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][N][Ring1][#C][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1],COC(=O)C1=CC=C2C=CC=CC2=C1OCNC(=O)C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E820>,3.659200000000002,0.6657407238979145,2.1947031592535655,1.134000460236007
[C][C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][=N][Ring1][N][C][C][Ring2][Ring1][Ring1],CCC1=NC2=CC(=N1)CN(C3=NC(C=4C=NN(C)C=4)=NC=N3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E890>,1.1447,0.7169623620102327,4.05297080993355,-0.4681589998823865
[O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][=C][S][Ring1][=N][C][C][=C][S][C][=Ring1][Branch1],O=C(NC1=CC(C2=NOC(C3CC3)=N2)=CS1)C=4C=CSC=4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E900>,3.989300000000002,0.7897539317664725,2.697454465324981,1.2513151935073816
[C][C][=N][N][Branch1][S][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=C][Cl],CC=NN(CC1=NC(C)=C(C)S1C)CC=CCl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E970>,3.3411000000000026,0.4644210461682928,5.394919819983995,-3.0728145891425314
[C][C][C][C][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2],CCCC=C(NCCC1=CC=CC=N1)N2N=C3C=CC=CN3N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4E9E0>,2.2893999999999997,0.8091099963866881,3.6442099087204394,0.40134007321300125
[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][N][=O],CC(C)CC(C)(NS(=O)(=O)C=1C=NN(C)C=1)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EA50>,-0.01149999999999951,0.7671475618946099,3.1537554681330446,0.6819823413400048
[C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NN(C2=CC=CC=C2)C(C)=C1NC(=O)COC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EAC0>,3.5066400000000018,0.7822144092885274,1.7832448441237965,2.1278272023188403
[C][N][Branch1][C][C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][=C][Ring1][N][O][N][=Ring2][Ring1][Branch1],CN(C)C=1C=C(C(=O)NCC2=CC=C(F)C(C=3N=C[NH1]N=3)=C2O)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EB30>,0.7901999999999991,0.7683092899287374,3.537991545248759,0.30355490439492794
[C][C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=N][C][=N][Ring1][Branch1][S][Ring2][Ring1][Branch1],CCCC1=NN=C(NC(=O)NCC2=CC=CN=C2N3C=NC=N3)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EBA0>,1.7880000000000003,0.7051393548805441,2.534983353440568,0.9907134209621526
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C],CC1=CC=CC=C1NC2CCN(C(=O)NCC3=CC=CC=C3C)CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EC10>,4.479640000000004,0.8528870491409883,2.369379329613789,1.8950559160911524
[C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S],CC(O)C1=CC=CC(NC(=O)C2=CC=CC=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EC80>,3.300620000000002,0.88368485123326,2.0461261799010586,2.372298076265242
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2],O=C(NC1=CC=CC=C1)N2CCN(C3CC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4ECF0>,1.9985,0.8646855278956794,1.6977745975895466,2.6256530418888504
[C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=C][N][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][NH1][C][=Branch1][C][=O][C][=Ring1][N][Ring1][Branch2],COC1=C(Cl)C=CC=C1NC2=CNC(=O)C(Cl)=C[NH1]C(=O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4ED60>,2.3182,0.7877058068682428,3.7886082692158247,0.1499207651253891
[O][=C][C][=C][NH1][C][Branch1][P][C][N][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=N][Ring2][Ring1][C],O=CC1=C[NH1]C(CNCCC2=C(F)C=CC=C2F)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EDD0>,1.1797999999999995,0.6071238068251231,3.908320890602295,-0.8727018564766791
[C][C][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][NH1][C][=N][Ring1][#Branch1][C][C][Ring1][P][=C][Ring2][Ring1][=Branch1],C1CC=CC=CN=C(C)C=C1C(=O)N2C=C(C)[NH1]C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EE40>,2.4737999999999998,0.795441139422725,4.687980809630634,-0.710775112517009
[C][C][C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][S][Ring1][#C],CCCCC1=NN=C(NC(=O)N2CCN(C)CC2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EEB0>,1.6599999999999997,0.912659144125987,2.2000976614732366,2.363198059156699
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][=C][Ring1][N],N#CC1=CC=CC=C1NC(=O)C2=CC=CC(N3CCOC3=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EF20>,2.7671800000000006,0.944856928256288,2.069917395351455,2.6543672459299845
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][O][N][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][#C][=N][Ring2][Ring1][=Branch1],C1C=CC(C)=NC1N2CCCC(C(=O)NC(C)C(C)C)CC2=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4EF90>,2.973370000000001,0.8364728077806443,4.320545914812551,-0.1381818759093294
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S],NC(=O)C1=CC=CC(S(=O)(=O)CC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C040>,1.7594000000000003,0.9231765323949969,1.7047769551355483,2.911105706839436
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC1=CC=CN=C1)N(CC2=CC=CC=C2)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C0B0>,4.320300000000003,0.7798345254039256,1.8032314019331093,2.095941225086519
[C][C][O][C][C][=Branch1][C][=O][N][=C][NH1][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CCOCC(=O)N=C1[NH1]C=CN1CC2=CC=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C120>,2.4814999999999996,0.7869026936466236,2.772854124294156,1.161659343938962
[C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=N][C][=N][C][Branch1][Ring1][O][C][=C][S][Ring1][#Branch1][C][Ring1][=N],C1OCC(=O)NCCCC1C2=NC(OC)=CS2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C190>,1.0175999999999998,0.7378363134743467,5.275968741002751,-1.5867871736310177
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=N][C][=N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][=C][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(CNC2=NC=NC(NC3=CC=CC=C3F)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C200>,3.375000000000001,0.723804299804309,2.010344672121887,1.608676826899658
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(S(=O)(=O)NC2=CC(C)=C(Cl)C=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C270>,3.7662400000000025,0.930647618366704,1.791483296545529,2.8617547952879905
[C][O][C][=C][C][=C][Branch1][=N][C][N][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch1][C][F][=C][Ring1][#C],COC1=CC=C(CNCCS(N)(=O)=O)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C2E0>,0.21240000000000003,0.7181802434622314,2.09379868886397,1.4971025284471873
[C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][C][=N][Ring1][O],CCCNC(=O)C(C)NC(=O)CNC1=CC(N2C=NC=N2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C350>,0.10510000000000108,0.6322970224355988,2.885583612465938,0.2759014997120559
[C][N][C][=C][Branch2][Ring1][=C][N][C][C][C][Branch2][Ring1][Ring1][C][C][C][N][Branch1][#Branch2][C][=N][C][=C][N][=C][Ring1][=Branch1][F][C][O][Ring1][=N][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1],CN1C=C(N2CCC(C3CCN(C4=NC=CN=C4F)CO3)C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C3C0>,1.4284999999999997,0.8473908039611594,3.925884651184276,0.3110693686215207
[C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=N][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O],CC1=CC(NC(=O)C2=CC=NC=C2F)=NC=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C430>,1.57992,0.9295203849168422,2.3787059686103067,2.268895955973904
[C][C][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring2][C][=C][C][=C][Ring1][P][O][S][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch2],CC1=C(CC(=O)N2CCCC23CCC3)C=CC=C1OSCC(=O)NCCN,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C4A0>,2.1845199999999996,0.6637551606626325,3.4637885469274208,-0.1450127436142581
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][N][C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2],CC1=NC2=CC=CC=C2N=C1CN3CCOC(C(N)=O)C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C510>,0.6243200000000001,0.894448624042114,2.788061306736145,1.6841818134744253
[C][C][Branch1][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],CC(C1)CCN(C(=O)CSC2=NN=CN2C)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C580>,2.5227000000000004,0.8166068532953288,2.761254999534687,1.3217792669419568
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring1],CC1=CC=C(F)C(S(=O)(=O)NCC(O)C2=CC=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C5F0>,2.2075200000000006,0.8888023521544095,2.6850068383387686,1.759004922433279
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1],CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCC2=CC(C)=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C660>,2.1561200000000005,0.8792909582569104,2.1228712633584497,2.2735835279261023
[C][N][Branch1][S][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1],CN(CCC1C2=CC=CC=C2OCO1)S(=O)(=O)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C6D0>,2.866500000000001,0.8404190897037017,3.0981209336006206,1.103974514917888
[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][O][C][C][C][C][C][O][Ring1][Branch1],CC1=C(N)C=CC=C1NC(=O)CCOCC2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C740>,2.10142,0.6171180700620776,2.5937087448533074,0.4918816054570807
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][C][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][N][=N][Ring1][=C],CC(C)OC1=CC=C(CC2=NC=C(Br)C=N2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C7B0>,2.4071000000000007,0.8677230554711284,2.6920995888878423,1.6465156884677992
[O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C],O=C(CN1CCOCC1)N2CCN3C(=NN=C3C4=CC=CC=C4)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C820>,0.6195000000000004,0.8268819700899321,2.2244635732207882,1.9099462772288724
[C][C][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2],CCN(CC1CCOC1)C(=O)C2=CC(C3CC3)=N[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C890>,1.7856999999999998,0.8807122673166373,3.2376776554695166,1.1658836811136704
[C][C][Branch1][C][C][=C][C][N][C][C][N][N][=C][Branch1][O][C][N][C][=Branch1][C][=O][N][C][C][O][C][=C][C][Ring1][=N][=O],CC(C)=CCNCCNN=C(CNC(=O)NCCO)C=CC=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C900>,-0.46559999999999757,0.08312324375542791,3.5315053979738344,-3.115889179196695
[C][O][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(CN2C(=O)CC3C2CCN3C(=O)C4=NC=C[NH1]4)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C970>,1.4338999999999993,0.9132809985403724,3.341880665788482,1.2245243269133796
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(NCC1=CC=CC=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4C9E0>,3.8095000000000026,0.7448387485580223,2.398565687496422,1.3256280552936897
[C][C][Branch1][C][C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring1][C][#N][S][Ring1][#Branch1],CC(C)C(SC1=CC=CC=C1)C(=O)NC2=NC=C(C#N)S2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CA50>,3.7701800000000016,0.8525125221728425,2.995162336723105,1.2674002741411075
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][#N][C][C][C][C][Ring1][#Branch1],COC1=CC=C(Cl)C=C1NCC(=O)N(C)C2(C#N)CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CAC0>,3.0552800000000016,0.9048619311384342,2.5320623231388364,1.992247332553334
[O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][Ring1][Branch1][O][C][C][Ring1][N],O=C(C1=CC=CC2=CC=CC=C12)N3CCN(C4CCCC4O)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CB30>,2.511000000000001,0.9230002853649139,2.7244756401952657,1.8905257866293033
[N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][=C][Ring1][O][O],NC(=O)COC(=O)C1=CC=C(N2C=CC=C2)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CBA0>,0.8249999999999997,0.7956979299276625,2.2271531525230657,1.751336497115247
[C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][Ring1][=N],CC=1N=NSC=1C(=O)N2CCC(C3=NC(C4CC4)=NO3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CC10>,1.73662,0.858326660857984,3.138542075966913,1.1530912283230075
[C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C],COCC(C)NC(=O)N(C)CC(=O)NC1=C(C)C=C(C)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CC80>,2.226659999999999,0.8438583150134519,2.647342717789787,1.571948857277473
[C][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][C][#N][C][C][C][C][Ring1][=Branch2],CN(CC(=O)C1=CC=CC=N1)C=2SC3=C(C=2C#N)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CCF0>,3.2126800000000015,0.8135953887227901,2.8023475330109324,1.265629410603018
[C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][N][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][Ring1][=Branch1],CC1=CC(NC(=O)N(CC(C)C)C2CC2)=C3N=CC(Cl)=C13,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CD60>,3.5652000000000026,0.8476891448317747,3.5193715556548417,0.719074168504032
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][C][Ring1][P][=N][Ring2][Ring1][Branch1],C1C2=CC=CC1(NC(=O)C3=CN4N=C(C)C=C4N=C3CC)N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CDD0>,1.4732199999999998,0.8993701584591004,4.733696056229123,-0.2368452639336205
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][N][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C][=N][C][=C][C][Ring1][#C][=Ring1][Branch1],O=C(NC1=CC=CN=C1)C=C2C=3N=CN(CC4CC4)C=3C5=NC=CC25,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CE40>,2.6564000000000005,0.8755699389595819,3.8355271205838832,0.5423225742140261
[C][C][C][N][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1],CCCNC(=O)C1=NN(C2=CC=C(C)C(C)=C2)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CEB0>,3.7821400000000027,0.7970390056799134,1.9896772877667317,1.995517740632835
[C][C][Branch1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2],CC(C)CN(CC(C)C)C(=O)CCC1=NC(C2=CC=CS2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CF20>,3.8713000000000033,0.734538521578095,2.4209638114353726,1.2517287964551023
[O][=C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1],O=C1COC2=CC=C(C(=O)NCCC3=CC(F)=CC(F)=C3)C=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4CF90>,2.2681999999999998,0.9024822568878722,2.1889848401891143,2.323426444250247
[C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][P],COC(=O)C(O)(C1=CC(C)=CC(C)=C1C)CC(C)(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D040>,2.133460000000001,0.8292057752278862,3.246402576718036,0.8996262994213948
[C][C][=N][C][Branch2][Ring1][S][C][C][=C][Branch1][C][C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][=Ring1][#C][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring2][Ring1][=Branch2],C1C2=NC(CC=C(C)N(CCC#N)C(=O)C2CC3=CC=CC=C3)OC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D0B0>,3.082480000000001,0.847842568307024,5.240297781704297,-1.0010849401691768
[C][C][=N][C][Branch1][P][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][S][Ring1][#C],CC1=NC(CSC2=NC(N)=CC(N)=N2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D120>,1.69822,0.6387924397264211,2.5747823215021786,0.6191798771299268
[C][O][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][C],COCC(C)(O)CNC(=O)C=1C=NN(C2=CC=CC=C2F)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D190>,1.4470199999999995,0.8441294515546287,2.823469217519566,1.3971780402535776
[C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][C][O][C][Ring1][=Branch1][C][C][Ring1][=N],CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=CCCOC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D200>,1.3905000000000007,0.7736080043458186,3.09500982549065,0.7730301962384427
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][=C],CCN(CC)C(=O)C1=CC=C(OC)C(C=2C=NN(C)C=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D270>,2.577700000000001,0.8488848611138882,2.1054714718910557,2.1389528336783847
[C][O][C][C][N][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][NH1][Ring1][Branch1][C][C][Ring1][=N][C][Ring1][P][=O],COCCN1CCC2CN(C(=O)CC3=CC=C[NH1]3)CC2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D2E0>,0.5104999999999997,0.8618675450050176,3.565249490095301,0.7440882349297873
[C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2],CC(NC(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC(C#N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D350>,2.7069800000000006,0.8102248633878695,2.2253185835381633,1.8258057334011841
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][C][Ring1][#C][=C][Ring2][Ring1][Branch1],CC(=O)C1=CC=CC(N2CCN(C(=O)C3=CC=CC(N)=C3)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D3C0>,2.4338000000000006,0.6957683817111132,1.8755303153022354,1.6033115932533306
[C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][=Branch1],CCC1=CC=C(CCNC(=O)NCC2=C(C)C=C(C)[NH1]C2)OC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D430>,3.2634000000000016,0.7007422135297112,3.881907238379158,-0.3781961707306021
[O][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][=C][Branch1][=Branch1][C][C][C][C][O][C][C][N][Ring1][S],O=CC=1OC2=C3C=CC=C2C=1N=C(CCCCO)CCN3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D4A0>,3.296000000000001,0.6529776688645305,4.8078148688558775,-1.5429265245332253
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(C(C)NC(=O)C=2SC=NC=2C3CC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D510>,3.520100000000002,0.9190900367722165,2.743840563580992,1.8516096202800902
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][Cl],COC1=CC=C(NC(=O)CSC2=NC(C)=CC(=O)[NH1]2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D580>,2.47112,0.6454739812273397,2.22107997761551,1.0062899285211886
[O][C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][=N][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][C][=C][NH1][Ring1][Branch1],OC(CN1CCN(C2=NC=CC(Cl)=C2C)CC1)C3=CC=C[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D5F0>,2.2271199999999998,0.9068025351260122,3.1638308237105113,1.3701818519195497
[C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C],COC1=CC(C#N)=CC=C1OCC(=O)NC2=C(C)C=C(C)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D660>,3.509640000000002,0.9133510031324403,1.9702041326613475,2.5965508830008543
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2],C1C(=O)NC=CC=CC1C(=O)OCC(=O)NC2CCCC(C)C2=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D6D0>,1.5965999999999996,0.6048047715222682,4.19912390564504,-1.1751000480336993
[C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O],CCOC1=CC=C(C#N)C=C1NC(=O)CNC(C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D740>,1.03158,0.8277849050637449,1.9596338547671213,2.1792906705516035
[O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][C][O][C][C][Ring1][=Branch1],O=C(CN1N=C(C(F)(F)F)N=C1C(F)F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D7B0>,1.7306000000000001,0.6032433649424912,3.370469300864279,-0.3542524761518231
[C][C][C][C][Branch1][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][P],CC1CC(C)CN(S(=O)(=O)CCC2CCCO2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D820>,1.8632,0.7865754576523728,3.40907910629217,0.5237981819696942
[C][C][NH1][N][=C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][C][=C][C][=N][N][Ring2][Ring1][Ring1][Ring1][Branch1],CC1[NH1]N=C(C2=CC(Cl)=CC(Cl)=C2)C=NC3=CC=NN13,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D890>,3.4182000000000023,0.8773686444454142,4.022641538375574,0.36420168385149765
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N][C][=N][Ring2][Ring1][Ring2],CCOC1=CC=C(C(=O)N2CCCN(CC(F)(F)F)CC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D900>,2.1905,0.8484320042420009,2.223630157589218,2.0185298636207865
[C][C][Branch1][C][C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][Branch1][C][C][Branch1][C][C][C],CC(C)CN1C(SCC2=CC=CC(C#N)=C2)=NN=C1C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D970>,4.395580000000004,0.7635928130044406,2.472236476270538,1.3457275887516649
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C][C],COC1=CC(C)=C(C(O)CN2CC(C)OC(C)C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4D9E0>,2.4546400000000004,0.9257241916151412,3.2668108958741255,1.36181006220158
[O][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C],O=C(C1=CC=CC(F)=C1F)N2CCN(S(=O)(=O)C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DA50>,2.1114999999999995,0.8360856369912264,1.8955294779348844,2.284898707021248
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N],CN(C)S(=O)(=O)C1=CC=CC(C(=O)OC(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DAC0>,1.4555,0.7335089559180162,3.711150475982338,-0.04360569639225664
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][#C],CCCCS(=O)(=O)N1CCCC(C(=O)NC2=CC=CC=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DB30>,1.862,0.865626284413546,2.5876289094956935,1.7405025125720366
[C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][Ring2][Ring1][C],CCC1CCN(C(=O)C2=CC=C(N3C=NN=C3)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DBA0>,2.1394,0.8582727104809551,2.6743045427033696,1.6170590097014061
[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][C][C][=C][N][Ring1][#Branch2][Ring1][#Branch1],CCOC(=O)C=1C(C)=CSC=1NC(=O)C2=CN=C3C=CC(C)=CN23,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DC10>,3.4416400000000014,0.736621518298858,2.539992620293118,1.1431149712011721
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=N][C][=N][C][S][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][=C][Ring1][P],CC(=O)NC1=CC=CC(NC2=NC=NC=3SC(C)=NC2=3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DC80>,3.0967200000000012,0.7765326263940893,2.3067897742783234,1.5758733576921227
[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1],CC1=CC(C(F)(F)F)=NC(N2CCN(C(C)C)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DCF0>,2.33422,0.8358777908174857,2.327095282570925,1.8522936715165041
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1],CCC1=CC=CC(C)=C1NCC(=O)NC2=CC=C(C)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DD60>,3.311440000000001,0.8848223492521894,2.0505314952691975,2.3735802509917496
[C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][Ring1][P],CCOC1=CC=C(NC(=O)C2=CC=C(C)C(N)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DDD0>,3.228220000000001,0.8382664039868518,1.597600410776053,2.5937316091582057
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Ring1][=N][=O],CC1=CC=C(Cl)C=C1N2CCN(C(=O)NCC(C)C)CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DE40>,2.6626200000000004,0.9294310908975015,2.1953125879559874,2.4518428665315204
[C][=C][N][=C][Branch2][Ring1][O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][C][O][Ring1][=C][N][=C][Ring2][Ring1][#Branch1],C1=CN=C(N2CCC3(CC2)CN(CC4=NC=CS4)CCO3)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DEB0>,1.8045,0.8548463261046506,3.211606054595533,1.0626255759277203
[C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring2][Ring1][C],CSC1=NC(C)=CC(C(=O)NC2=CC=CC=C2OC)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DF20>,2.7678200000000013,0.6923413192254522,1.9982586525342931,1.4634479435929677
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][N][Branch1][C][C][C][Ring1][Branch2][=O],CCNC(=O)C(C)NC(=O)CC1=CC=C(C)N(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4DF90>,-0.12297999999999965,0.7881354058214154,2.7155320738579647,1.225144955249112
[C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][=C][Ring1][S],CCOC(C)C(=O)NC1=CC=C(OC2=CC=CC(C(N)=O)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B040>,2.941300000000001,0.817338960772646,2.3139657256556454,1.7727290782075844
[C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1],COC=C1C=CN=C(C(=O)NC2=C(C)C=C(C)N=C2C)C=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B0B0>,3.5563600000000024,0.8651763347456997,3.96360476124692,0.3622769124815788
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][O][Ring2][Ring1][Ring2],COC1=CC=CC(=C1)C(=O)CC(C(=O)NC2=CC=C3C(=C2)OCO3)CO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B120>,2.2439000000000004,0.7383325693307852,2.611547113397572,1.0801157332563536
[C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][O][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Ring1][#Branch2][C][=N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Branch2],CC=C(C(=O)N1CC(C2=NC(C)=NO2)C1)C=NN=C(N3CCCCC3)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B190>,1.63582,0.37843450772451326,3.5220214810337342,-1.629848942411168
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CCOC(=O)C1=CC=C2C(=C1)CCN2C(=O)C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B200>,3.205300000000002,0.8175538155089653,1.9036032049264957,2.1841658726183306
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1],COC(=O)C1=CC=C(S(N)(=O)=O)C(NCC2=CC=C(C)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B270>,2.0411200000000003,0.8154094340176302,1.921755157589219,2.155292012498932
[C][O][C][C][N][C][=C][Branch1][=N][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][N][=O],COCCN1C=C(NC2=NC=C(C)S2C)C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B2E0>,0.09520000000000028,0.6254155192445365,5.245549970769494,-2.118472374546811
[C][C][C][S][C][Branch1][=C][C][Branch1][C][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][C][=Ring1][=C][C][C],CCC=1SC(C(C)SC2=NC=CN2C)=CC=1CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B350>,4.459700000000003,0.7525497597060237,3.445555419988196,0.3171933785419223
[C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][Ring1],CC(=O)N1C(C(=O)N(C2=CC=C(C#N)C=C2)C(C)C)CCC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B3C0>,2.31058,0.8600098449013919,2.794744889644578,1.5053043348623811
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][#Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1],CC(C)C1=NOC(CCCC(=O)N2CCCC2C3=CC=NC=C3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B430>,3.2744000000000026,0.8135051301920952,2.8820649718993447,1.1854606790611317
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][F][=C][Ring2][Ring1][Ring2],CC1=CC=C(F)C(CNC2=CC(S(N)(=O)=O)=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B4A0>,2.5327200000000003,0.9110070944513469,2.0050055637520074,2.550029908504727
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2],CCC(C)NC(=O)C(C)NC(=O)NC1=CC=C(F)C(C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B510>,2.1220799999999995,0.7774463652421727,2.852100374803813,1.0351314514070507
[O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][O][C][Ring1][#C],O=C(NCC1CCC2O1)CC3CCN(C(=O)C(C)C)CC3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B580>,1.564699999999999,0.7996637560712991,5.118403407145992,-1.1200846267894966
[C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][N][=C][Branch1][C][C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CCOC(CC)C(=O)NC1=CC=C2[NH1]N=C(C)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B5F0>,2.6249200000000004,0.8690429841814103,2.8028498373756605,1.542365083531391
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][P],COC(=O)CC1=CSC(NS(=O)(=O)C2=CC=CC=C2OC)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B660>,1.668,0.8025580857351993,2.1117498389017637,1.901040589774233
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring1],CC(C)C(=O)NC1=CC=CC(CNC(=O)N2CCOCC2C3CC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B6D0>,2.6015000000000006,0.8616468205819816,2.7632857356674307,1.544948367242477
[C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2],CCNC(=O)CN(CC)C(=O)C1=CC=C(C(F)(F)F)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B740>,1.6985999999999999,0.9003015984859464,2.2372079061464554,2.264300086283276
[C][C][S][C][=N][C][Branch1][Ring1][C][O][=C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][O][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],CC1S2C=NC(CO)=C(C(C)(C)OC)C2C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B7B0>,3.5168000000000026,0.8390964083282197,5.01236116810643,-0.8168791264653317
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][O][C][C][N][C][C][O][C][Ring1][Branch1][=O][=N][Ring1][=N],COC1=CC=CC=C1C2=NOC(CCN3CCOC3=O)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B820>,1.7398999999999996,0.8339989787557593,2.29188019041956,1.8781147033592367
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring1][=N],CCCS(=O)(=O)NC1CCC2=CC(S(C)(=O)=O)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B890>,1.4068,0.8900985839437732,2.7885445073364377,1.6619484123824284
[C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][=N][Ring2][Ring1][Ring1],CC(=O)NCC1COC=C(C2=CC=CO2)C(C3=CC=C(C)N=N3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B900>,1.74312,0.9241778081320413,3.7975586173842926,0.8233304232759142
[C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],CC(C)C(C)NC(=O)NC1CCN(C2=CC=CC=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B970>,2.1356,0.8917692644590007,2.8452364452694745,1.613609877025529
[O][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1],O=C(OC1=CC=CC=C1F)C2=CC=CC=C2NC(=O)C=3C=COC=3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4B9E0>,3.890200000000002,0.5834999180276513,1.9989518675351672,0.9185477226030896
[O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#C],O=C(NC1=NC=CS1)C2CCN(C(=O)N3CCCCCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BA50>,2.789600000000001,0.9029619502609841,2.1723216329049464,2.3424881183999746
[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring1][Ring1],CC(C)C1=NC(CN(C)C(=O)CCCNC(=O)C2CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BAC0>,1.4577999999999998,0.7344534319002355,2.4116956648790637,1.2605714946221136
[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=O][=C][Ring1][P],NC1=CC=C(Cl)C(C(=O)N2C=C[NH1]C(=O)C2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BB30>,0.4607,0.5780367597547588,2.6649909361959967,0.22519286257779703
[C][C][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C],CCC1NC(N2CCOCC2)=NC3=C1C(=O)N(C)C(=O)N3C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BBA0>,-0.5419999999999989,0.7533855825777971,3.5557000724945134,0.2112278403944723
[O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=C],O=C(CC1=CC=CC(F)=C1)NC2CCC(C3=NN=CN3C4CC4)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BC10>,3.1372000000000018,0.908004791564882,2.4235627746381816,2.116461183186228
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][C][C][Ring1][S],CS(=O)(=O)N1CCN(C(=O)C2=CC=C(Cl)C=C2F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BC80>,1.1965000000000001,0.822410910124084,1.9434491287247688,2.168605421895651
[C][C][Branch1][#Branch2][N][C][Branch1][C][F][Branch1][C][F][F][C][=N][C][=C][Branch1][C][Br][C][=N][C][=N][N][Ring1][O][Ring1][Branch1],CC(NC(F)(F)F)C=NC=C(Br)C1=NC=NN1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BCF0>,2.0666999999999995,0.6605729417756666,4.674368983863594,-1.3715042749852606
[C][O][C][=C][C][Branch1][O][C][N][C][C][=N][NH1][C][=Ring1][Branch1][=O][=C][C][=C][Ring1][=C][O][C],COC1=CC(CNC=2C=N[NH1]C=2O)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BD60>,1.7445999999999995,0.7518756689472863,2.2961077336842237,1.4632706110522076
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC1=NN(C)C=C1S(=O)(=O)NC(C)CC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BDD0>,1.7771199999999998,0.9152044513031238,2.6304195658454557,1.945602690670163
[C][C][=C][C][=C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][C][=N][N][=C][S][Ring1][Branch1][C][Ring1][P][=N][Ring2][Ring1][Branch1],CC1=CC=C2C=CC=C(C(=O)OCCCC3=NN=CS3)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BE40>,3.1843200000000014,0.5344617589069203,2.5354582129559873,0.13685058157861407
[C][C][=N][O][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][P],CC1=NOC(CNC(=O)C2=CC=C(F)C(F)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BEB0>,1.58622,0.9013742922946691,2.040619425991915,2.466252035481431
[C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][=C][N][=C][Ring1][S][N][C][=N][N][=N][Ring1][Branch1],CC1=CC(NC(=O)N2CCCC(O)C2)=CN=C1N3C=NN=N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BF20>,0.3543199999999996,0.8285022922518112,3.071786867666555,1.0707245935925007
[C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C],CCCNC(=O)CCNC(=O)NC1=CC(Cl)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4BF90>,2.6862200000000005,0.7553284869735967,1.7773675436431873,1.999274891224796
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],CCNC(=O)CNC(=O)NC1=CC=NN1C2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A040>,1.645899999999999,0.7709428492876669,2.2898328512014015,1.5648813952369327
[C][C][C][C][=N][C][Branch2][Ring1][#Branch1][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][=C][Ring1][=N][=C][S][Ring2][Ring1][Ring2],CCCC1=NC(CNC2=CC=C(C)C(N3CCOC3=O)=C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A0B0>,3.9727200000000025,0.8699277359574041,2.4813600526941126,1.8682786270929084
[C][C][S][C][=N][C][=N][C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][=N][Cl],CCSC1=NC=NC(SCC(=O)N(C)C)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A120>,2.422300000000001,0.6157722472105533,2.819845846054603,0.2590153899981633
[C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][N][C][C][O][C][C][Ring1][=Branch1][C],CC(CNC(=O)C1=CC(Cl)=CC=C1Cl)CN2CCOCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A190>,3.080000000000002,0.8917849493676329,2.978410037744373,1.4805147090937911
[C][O][C][=C][C][=C][Branch1][#C][C][=C][C][Branch1][Ring1][C][#N][=N][N][Ring1][#Branch1][C][C][#N][C][Branch1][C][C][=C][Ring1][P],COC1=CC=C(C2=CC(C#N)=NN2CC#N)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A200>,2.2623800000000003,0.8392643137286617,2.754375503756739,1.4419460648865696
[O][=C][C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][N][Ring1][S][N][=Ring2][Ring1][Ring2],O=CC=1OC=C2C(C(=O)NCC3=CC=CC=C3)=CC=CN2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A270>,1.4424999999999997,0.8533265871678964,3.344231530263679,0.922401405575803
[C][C][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O][C][Ring2][Ring1][Ring1],C1CCCCN1C(=O)C2=CC=C(Cl)C(S(N)(=O)=O)=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A2E0>,1.9219200000000003,0.9047898550753918,2.154690154365797,2.3692591210111615
[C][N][Branch1][S][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C],CN(CC1=NN=C2N1CCCCC2)C3=NC=NC4=C3C=NN4C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A350>,1.317599999999999,0.7256361184567357,2.758815777566257,0.8693648147174216
[O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Br][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1],O=C(COC1=CC=C(F)C=C1Br)N2CCC(O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A3C0>,1.5601999999999996,0.9201198612371326,2.4649818815266578,2.1356174246590056
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Ring1][O][=C][Ring2][Ring1][Branch1],N#CC=CC=CCNC(=O)NC1CC2=CC(F)=CC=C2CC1=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A430>,2.7842800000000008,0.5100126795070751,3.750457518449405,-1.2003941209140296
[C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O][C][=C][Ring1][P][S][Ring2][Ring1][Ring2],C1CC2=NN=C(N3CCC(N4C=CN=N4)CC3)C=C2S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A4A0>,1.5577999999999999,0.8355427190954069,3.2345296415452847,0.9431839539317499
[C][O][C][=C][C][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC(CC(=O)NC2=CC=CC=C2C)=CC(OC)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A510>,3.202020000000002,0.8891551592068229,1.7126097248969092,2.733166071137205
[O][=C][Branch1][Branch1][N][C][C][O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][N][C][=C][C][=C][Ring1][Branch1],O=C(NCCO)C=1C=NN(C2=CC=CC=C2F)C=1N3C=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A580>,1.5241999999999993,0.7499251210013465,2.3351006121346725,1.4145249928720598
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=C(C(=O)NC2=CC=CC3=NC=CC=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A5F0>,3.445500000000002,0.7783086610478799,1.6624334792675413,2.2291098259718582
[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2],CCOC(=O)CNC(=O)C1=CC=C(NC(C)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A660>,0.9378999999999996,0.7749966254185073,1.6113178784357594,2.2636652486567774
[C][=C][C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][S][Ring1][#Branch2],C=CCCOC(C)C(=O)NC1=NC(CC(=O)OC)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A6D0>,1.7782999999999998,0.4495045215255118,2.902907537639468,-0.655384930011909
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][=N][C][Branch1][C][C][C],CC(=O)NC1=CC=C2C(=C1)N=C(CN3CCOCC3)N2C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A740>,2.4078,0.9408405814551392,2.2240713706069695,2.4801315366687264
[C][O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C],COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A7B0>,0.044399999999999995,0.8287735221754751,1.8804046937286678,2.2634629171487077
[C][O][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][S][C][=N][C][=Ring1][Branch1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1],COC(=O)CCN(C)C(=O)C1=CC=2SC=NC=2N1CC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A820>,2.781200000000001,0.6365080185095965,2.548698690131138,0.6338414024168446
[O][=C][Branch1][=N][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(C=1SC=NC=1C2CC2)N3CCCCC3COC4=CC=CC=C4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A890>,4.094200000000003,0.821605428432982,2.8904220287555322,1.2176051134093777
[C][#C][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][O],C#CCNC(=O)CC(C#N)C1=CC=C(OC)C(C(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A900>,2.5652800000000004,0.8166055827032034,3.0975523593677234,0.9854755541482936
[N][#C][C][C][=N][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch2][C][=N][Ring1][#C][C][=Ring2][Ring1][Branch1][O],N#CCC=NNC=C1C=C(C2=CC=C(C#N)C(CO)=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A970>,1.84886,0.6376004544867646,3.8081761044395037,-0.6201738320056807
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][N][N][N][=C][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][=C][Ring2][Ring1][#Branch1],C1C=CC(C)=CC1N2N=CC(C)=C2NC(=O)C=3C=C[NH1]C(=O)C=3C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4A9E0>,2.8878400000000006,0.9108182805246984,3.6975250827164956,0.8565663199069959
[C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][C][Ring1][S],CCOC1=CC=C2C(=C1)CN(C(=O)C=3C=CC(=O)[NH1]C=3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AA50>,1.9721,0.9420913752150781,2.17147060993401,2.5389862661413805
[O][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][N][=C][S][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][=O],O=C(OC1=CC=C(F)C=C1)C2=CN=C3SC=CN3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AAC0>,2.1143,0.5355351773926087,2.2426963621930582,0.434979524769985
[O][=C][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1],O=C1[NH1]C(C23CC2)=NCSC(C4=CC=CC=C4)=CC3=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AB30>,2.9667000000000012,0.8600942422282107,4.658588083721045,-0.35811687257999125
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2],COC(=O)CC1CN(C(=O)NC2=CC=CC=C2F)C3=CC=CC=C3O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4ABA0>,3.1883000000000017,0.8685521088932198,2.670609778385275,1.672150766080824
[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2],FC1=CC=CC(F)=C1CNC2=CC=NC(C(F)(F)F)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AC10>,3.385700000000001,0.8801411506340426,2.4264928583284995,1.9742128948417133
[C][C][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],CCN(CCC#N)S(=O)(=O)C1=CC=C(Cl)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AC80>,2.9176800000000016,0.8400126572581368,2.1684490798380693,2.0316142064526144
[C][C][O][C][C][C][N][C][=N][C][Branch1][N][N][C][=N][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][N][Ring1][O][C][Branch1][C][C][C],CCOCCCNC=NC(NC1=NC=C(C)S1)=NNC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4ACF0>,2.17692,0.2803242165614697,3.5487650445316703,-2.1471439617243218
[C][O][C][=C][C][Branch1][=N][C][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][S][C][Ring1][=N][=C][C][=C][C][=C][C][=N][Ring1][=Branch1],COC1=CC(CN(C)C(C)CC=C)SC1=CC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AD60>,3.9646000000000035,0.7109552280666722,4.1546664344412765,-0.5998902941079152
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1],CC1=CC=C(C(=O)N2CCC(C(=O)NC(C)C)CC2)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4ADD0>,3.025220000000002,0.9295890234388854,1.8818956648790657,2.766049452315361
[C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][N],CC1=CC=C(CNC(=O)C2=CC=C3[NH1]C(=O)C(=O)[NH1]C3=C2)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AE40>,1.03702,0.4246233378704425,2.1799843539326123,-0.056867664580400046
[C][O][C][=C][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][N][C][=C][Ring1][=C][C],COC=CC1=CC(N2N=C(C)C=C2C)=C(N)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AEB0>,2.9968600000000007,0.6790086220468374,2.7712261624594294,0.6238169477747579
[C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring2],CC=1N=C(C2=CC=CC=C2Cl)SC=1C(=O)N3CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AF20>,3.6178200000000027,0.8468718480122596,1.9577879856145053,2.276571254446792
[C][C][C][Branch1][Ring1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C],CCC(CC)N(CCO)C(=O)C1=CC=C(F)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4AF90>,2.757220000000001,0.860644563390322,2.2526797127552864,2.050543104196324
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][#C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][Cl],COC1=CC=C(C)C=C1C#CCNC(=O)C2=C(OC)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49040>,3.4471200000000017,0.8649258129803707,2.28324979595328,2.0413792689485737
[O][=C][Branch1][=N][O][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O],O=C(OCCNC1=NC=CC=N1)C(C2=CC=C(F)C=C2)CCCC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE490B0>,3.544800000000002,0.5622509708372901,2.7005318615314504,0.11072299265500041
[C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][=Branch2][N][Branch1][C][C][C],CN1C=CC=C1C(=O)NC=C2C(C(F)(F)F)=CC=C2N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49120>,2.5866000000000007,0.9314565691075665,3.4282187939533797,1.2290640515844524
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][Ring1][=C][=O],CCNC(=O)C(C1)(C)COC2=CC=C(N)C=C2N(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49190>,1.1564999999999996,0.8007013994757594,3.216252764226022,0.7872542331527752
[C][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1],CC1=CC=CC(NC(=O)C2=CC=NN2C)=C1C3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49200>,3.0428200000000016,0.8068376941939411,2.2060024780658765,1.8281859929038289
[C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][=C][C][=N][Ring2][Ring1][#Branch1],CC1=CC(NC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49270>,1.4542199999999992,0.877676718909308,2.1848363004935134,2.2035472940530267
[C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1],CN(CC1=CC=C(OC2=CC=CC=C2)C=C1)C3=NC=NC=4[NH1]C=NC3=4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE492E0>,3.781600000000002,0.6026297984547355,2.36353065405606,0.6496183382176177
[C][O][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2],COCC1=CC=CC(CNC(=O)NC2=CC=CC=C2C(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49350>,4.278100000000003,0.836251309645056,1.8574997729738332,2.3237567752514465
[C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O],CN(C1=CC=CC=C1F)S(=O)(=O)C2=CC=C(N3C=NN=N3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE493C0>,1.6265,0.7246901144923374,2.212806991908746,1.4106435805529411
[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2],CCCN(CCC)C(=O)C1C=C(C)[NH1]C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49430>,1.2202,0.7574749953450248,3.5286719938970386,0.25870298282808557
[O][=C][N][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1],O=C1NC(CC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002761EE494A0>,2.3160999999999996,0.9230271181609915,2.758901369414872,1.8562342213900855
[C][N][C][=C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1],CNC1=C(CNC(=O)C2CCC(=O)N(C3=CC=C(C)C(C)=C3)C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49510>,1.6780399999999995,0.8563618982610534,3.2719538675355624,1.0098556237697043
[C][C][O][C][=C][C][=C][C][Branch1][S][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][#C],CCOC1=CC=CC(C(N)C(=O)NCC(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49580>,1.8572999999999997,0.809612894252253,2.414922892515669,1.6331415787455956
[O][=C][Branch1][#Branch2][C][C][C][=C][C][=C][O][Ring1][Branch1][N][C][C][=C][C][=C][C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][S],O=C(CCC1=CC=CO1)NCC2=CC=CC(CN3C=NC4=CC=CC=C43)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE495F0>,3.9266000000000023,0.543871657720977,2.116472884914945,0.6028854036899403
[C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][Ring1][Branch2],COCCCNC(=O)C(C)SC1=CC=C(F)C(N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49660>,2.0412,0.4572417192537443,2.6122872215444684,-0.32607862527574705
[C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][#N][C][C][C][C][C][C][C][Ring1][#Branch1],CN(C1=CC=CC=C1S(=O)(=O)NC(C)(C)C#N)C2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE496D0>,3.4260800000000025,0.8266917572759355,2.5811090277662423,1.5523497586134347
[C][N][N][=C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][#Branch1][C][Ring2][Ring1][Branch1],CN1N=C2N(C1=O)CCN(CC3=CC(=O)NC4=CC=C(Cl)C=C34)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49740>,1.0925,0.7541340337384121,2.7304875551212398,1.040182613570821
[C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2],CC(NC(=O)C1CCCO1)C2=CC=C(OC(F)F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE497B0>,2.6442000000000005,0.9044008657195917,2.816823246981299,1.7051810816166597
[C][=C][C][=C][Branch2][Ring1][=C][C][=C][N][C][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][N][=C][Ring1][P][N][=C][Ring2][Ring1][Branch2],C1=CC=C(C=C2NC=C(C3=CC=C(C=4N=C[NH1]N=4)C=C3)N=C2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49820>,2.8802000000000003,0.7789032092416285,3.4527962655284803,0.4417197806796622
[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=C][NH1][N][=Ring1][Branch1][=C][N][Ring1][=C][Ring1][S],CC1=CC=CC(=C1)S2C=NC(C(=O)NC=3C=C[NH1]N=3)=CN2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49890>,2.1048199999999997,0.6553281308329365,4.751050852763886,-1.474410198599204
[C][O][C][=C][C][Branch1][#C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C],COC1=CC(CC=2C(C)=N[NH1]C=2C=C3C)=NN(C)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49900>,1.8652199999999999,0.8475511631948192,5.358351043175383,-1.1205952272012878
[C][C][=N][O][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][S][=N][Ring2][Ring1][Branch1],C1C=NOC1C2=CC=C(CNC(=O)C3=CC=NN3C)C=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49970>,1.3795,0.8338143163664506,3.4642044500841376,0.7048671317481157
[N][#C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2],N#CC=CC=CCCN1C=NC2=CC=C(C=C21)OCCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE499E0>,2.4334800000000008,0.6255230592131892,2.915381577557012,0.21223371850893402
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1],CC1=NOC(C)=C1C(C)NC(=O)C=2SC=NC=2C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49A50>,3.116340000000001,0.9394192038203181,3.371700544632475,1.3253954744691159
[C][N][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][=C][C][=Branch2][Ring1][Branch1][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Ring1][=N][=Ring1][#Branch1][=N][Ring2][Ring1][Branch1],CN(C)C=CC=CCC(=O)CC=CC=CC1=C(F)C(F)=CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49AC0>,4.560300000000004,0.6126824627098908,4.040525879254853,-0.9771135657053986
[C][N][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][C],CNC1=NC(C(=O)NC2CCCC2)=C3C=CC=CC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49B30>,2.3438999999999997,0.8980589975214313,2.154287413428573,2.3360075741785833
[C][O][C][=Branch1][C][=O][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],COC(=O)C(N1N=NC2=CC=CC=C21)N3N=NC4=CC=CC=C43,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49BA0>,1.395899999999999,0.5315417130690648,2.587456190884282,0.07025237446104216
[C][O][C][=C][C][=N][C][Branch2][Ring1][O][N][C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S][=N][Ring2][Ring1][#Branch1],COC=CC=NC(N1CCC(C(=O)C2=CC(F)=CC=C2C)CC1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49C10>,3.194490000000002,0.398702587884687,3.081410301119755,-1.08789736169632
[O][=C][N][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1],O=CNCCNC(=O)C1=CC(C2=CC=CC=C2)=NC3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49C80>,2.3776,0.5411548537251486,2.0064835732207875,0.6992906954049554
[C][O][C][=C][C][Branch1][#C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Ring1][S][O],COC1=CC(CN2N=CC3=CC=CC=C32)=CC=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49CF0>,2.7988000000000013,0.7814374343488312,1.9061381742937478,2.001048997450408
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(OC)C(CN(C2=CC=CC=C2)C(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49D60>,4.118800000000004,0.7966502112783123,1.8972827338611147,2.0859683225304466
[C][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CN(C)C1=C(Cl)C=CC=C1NC(=O)CC2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49DD0>,3.865400000000003,0.9257446685773407,2.026294895648297,2.602428447238407
[C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O],COCCOC1=CC=CC=C1NC(=O)CN2C(C)=CSC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49E40>,1.88212,0.7903604556230835,2.1038005284026386,1.848001749712779
[C][O][C][C][O][C][=C][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][Branch1][C][N][=C][Ring1][S][C][#N],COCCOC1=CC(COC2=CC=CC=C2O)=NC(N)=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49EB0>,1.84528,0.7499033880991299,2.463296696050758,1.2862202444448916
[C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][Ring1][O][=O],COCCN(CC1=CC=CS12)C=NC3=CC=C(C)N=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49F20>,2.564420000000001,0.8706751254587672,5.037322905618881,-0.6839472783250446
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2],COC1=CC=CC(CN(C)C(=O)COC2=CC=C(Cl)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE49F90>,3.386000000000002,0.8189761255904768,1.6955511487500328,2.3993294792023514
[N][C][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][N][=C][N][=C][Ring1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],NC1=C(NCC2CCCO2)N=CN=C1NC3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48040>,3.0467000000000013,0.7851333989241556,2.6551824377215016,1.2704845568992762
[C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][Ring1][O],CCC(=O)NCC(=O)NC1=CC=CC(C2=NC=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE480B0>,2.2748,0.8867231442677395,2.0395757144197777,2.394040006918919
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][N][=N][C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][=C][S][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC=C(C2=CN=NC(NCC(C)(C)O)=CS2C)C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48120>,2.569300000000001,0.6502642318016437,5.321685686102158,-2.0703645270939393
[O][=C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][Branch1][#Branch1][S][C][C][C][C][C][O][Ring1][O][NH1][Ring1][=N],O=C(NC1CCC2=CC=CC=C21)C3=CC=C(SCCCCC)O3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48190>,4.979200000000004,0.5752643111560382,2.8006106969356726,0.07571085884451811
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][P],CC(C)CCNC(=O)C1CCN(C(=O)C2=CC3=CC=CC=C3[NH1]2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48200>,3.1824000000000012,0.8770729298575164,2.0844430021571405,2.3009216471304414
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],CCN(CC)C(=O)CS(=O)(=O)C1=CC=C(C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48270>,1.94554,0.8296235189894275,2.0970378666014398,2.051079728345698
[C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][O][C][Ring1][=N][O][=C][NH1][Ring2][Ring1][=Branch1],CC1=CC(=O)C(C(=O)NC2=CC=CC=C2CC(C)(O)CO)=C[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE482E0>,1.2214199999999997,0.6658212778192842,3.0984648219151705,0.23064156718125073
[C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1],CC1=CC=C2C=CC=C(OCC(=O)NC3=CC=C(F)C(F)=C3)C2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48350>,3.8389200000000026,0.7915524751628439,1.9294773741257654,2.028285001688454
[N][#C][C][=C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1],N#CC1=CN(CC(=O)NC2=CC=CC=C2F)C3=CC=CC=C3N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE483C0>,3.061280000000001,0.9141753846823204,2.635352360386422,1.9355245630251794
[O][=C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C],O=C(OCC1CCCCO1)C2CC(=O)N(CCC3=CC=CC=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48430>,2.1898999999999997,0.7499754397018913,2.865480914920539,0.8843962835889174
[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][=Branch2][C][C][C][C][C][Branch1][C][O][C][Ring1][=Branch1][C][Ring1][#Branch2][O][C][C][=C][S][C][=N][Ring1][Branch1][=N][O][Ring2][Ring1][Ring2],CC(C1)C=NC(CC2CCC(O)C2COCC3=CSC=N3)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE484A0>,2.5001000000000007,0.8730659003767242,5.004023646179494,-0.6386941442958731
[C][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][C][O][C][Ring1][Branch1][=O],C=CCOC1=CC=CC=C1NC(=O)CCN2CCOC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48510>,2.0322,0.7802132107936661,2.2224066973552468,1.6786593566130836
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1],CCN(CC)C(=O)C1=CC=CC=C1NCC2=NC(C)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48580>,3.545620000000002,0.8874301278182942,2.1453260193891452,2.291824619702326
[O][=C][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][C][C][O][Ring1][N],O=C(OCC1CCCCC1)CC2N(C(=O)C3=CC=NO3)CCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE485F0>,1.9867,0.7711041504107053,3.2849760241457755,0.5705447279077513
[O][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][N][C][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2],O=C(C1=CC=C(C2=CC=CC=C2F)O1)CCC3(CCOC3)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48660>,4.475200000000003,0.764672839608837,3.0637626918423795,0.7596015062018058
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=CC(C(=O)OCC(=O)C2=CC=CC(F)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE486D0>,2.823800000000001,0.6800310797272411,1.7551779941276813,1.6449774045085244
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][=O],COC1=CC=CC=C1NC(=O)CN2C=NC3=CC=C(F)C=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48740>,2.1829,0.7970284389006915,1.880899772315809,2.1042424221876486
[C][C][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Ring2][Ring1][Branch1],CC=1C=NN(CCC(=O)NCC2=CC=C3C(=C2)OCCO3)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE487B0>,1.66922,0.9121036567620214,2.1975687898790657,2.3629494939310414
[C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1],C1=CC=C(OCCSC2=NN=NN2CC3=CC=CO3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48820>,2.4855,0.4932786415346235,2.1577337303222794,0.308659477350838
[O][=C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][Ring1][=C][C][C][C][Ring1][Branch1],O=C(NC(C1C2C1)C3CC3)C4=CC=CC=C4SC5=C2CCC5,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48890>,4.374800000000004,0.8339190939214737,4.43740612763714,-0.2678106580297719
[C][C][=C][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][#C][O],CC1=CC=CC(CNC(=O)NCC(C)C)=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48900>,2.1558200000000007,0.7498407460734909,1.9642859798338677,1.784917750533587
[C][N][C][=Branch1][C][=O][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][O][C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],CNC(=O)CC1=CC(NC(=O)N2CCCC(C)C2COC)=CC1=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48970>,1.9591,0.8078480605766646,4.064588107727731,-0.025347804844408017
[C][#C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C],C#CCN(CC1=CC=C(F)C=C1)CCC(=O)NC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE489E0>,2.5657000000000005,0.8167309704564457,2.3600258066669877,1.7236290456152412
[O][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CNC(=O)C1=CC=CC=C1)OCC(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48A50>,1.8425000000000002,0.6520804623264953,1.5831233571867571,1.6772789544457192
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Branch1][C][C][C],CC1=NN(C)C(C)=C1NC(=O)CNC2=CC(Cl)=CC=C2N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48AC0>,2.806940000000001,0.8816616482004072,2.28031843302346,2.127989807978576
[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch1][C][#C][C][O][S][Ring1][=Branch2],CCOC(=O)CC(C)CNC(=O)C1=CC=C(C#CCO)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48B30>,1.411,0.6152636814056482,3.058400537505374,0.01791786952286678
[O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][O][C][Ring1][O][C][C][Ring1][S],O=C(C1CCCC1)N2CCC3(CCC(=O)N(CCCO)C3C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48BA0>,1.7886,0.8582189759637437,3.957610498357104,0.33348438146161463
[N][#C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][F],N#CC1=CC(NC(=O)CCCOC2=CC=CC=C2)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48C10>,3.4950800000000024,0.8302499973708203,1.8238750055384045,2.327374981315697
[C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][O][C][Ring1][#Branch2][=O],CCC(C1=CC=NC=C1)N(C)CC2(C3=CC=CS3)CCOC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48C80>,3.4109000000000025,0.7613499151030516,3.874325146641617,-0.06757557112635881
[C][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],COCCOC1=CC=C(C(C)=O)C=C1NC(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48CF0>,3.1667000000000014,0.6297076899957116,1.6893542108436552,1.4591842391349026
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1],COCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CN(C)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48D60>,1.2574,0.7721484837500481,2.2943763453343866,1.5663660734158538
[C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1],CC(C)COC1=CC=CC(CNC(=O)N2CCC(C(N)=O)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48DD0>,2.1282999999999994,0.8361500771269851,2.032932000316082,2.1478183853188435
[N][C][=C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1],N1C=CC=CC(CN(CC2=CC=C3C(=C2)OCO3)CC4CC4)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48E40>,3.1843000000000012,0.8747920146228532,2.9485099087204407,1.4254501643938253
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P],CS(=O)(=O)NC1=CC=CC(CNC(=O)NC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48EB0>,2.3798000000000004,0.7904771476988133,1.7101097095440778,2.2422760289499886
[N][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring2][Ring1][Ring2],NC(=O)C1CCCN(C(=O)CC=2C=NN(C3=CC=CC=C3)C=2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48F20>,1.1386999999999994,0.9188939428910898,2.5673882984386456,2.027081416016804
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][=C],CCN(CC)C(=O)C1=CC=C(CSC2=NN=CN2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE48F90>,2.5894000000000004,0.7697805925922333,2.1254978577203048,1.7234051052408619
[C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=N][C][Ring1][#C][=C][Ring2][Ring1][Ring1],COC=CC1=CC(C2)=CC(=O)N(C)C(CN3C=CC=N3)=NC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47040>,2.0541,0.7998047562252789,4.763208363424836,-0.7641845822984412
[C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1],COC1=CC=C(F)C=C1NC(=O)C2=CC=C(C)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE470B0>,2.790020000000001,0.9227813799481531,1.7095395095622532,2.9043673901785123
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=C],CN(C)S(=O)(=O)C1=CC=C(NCC2=CC=CC=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47120>,1.9440000000000002,0.9142666719700979,1.8560339272595705,2.7152994325909194
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1],CCNC(=O)C1=CC=C(CNC(=O)C2=N[NH1]C3=CC=CC=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47190>,2.2426000000000004,0.6730873585987802,1.9140689243913567,1.4513678686025444
[C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][N],CCCC(=O)OC1=CC=C(NS(=O)(=O)CC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47200>,2.1536999999999997,0.635337258261604,1.952572411863187,1.224113879444833
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],COCCN(CC1=CC=CC=C1)C(=O)NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47270>,2.6378000000000013,0.8518309697970661,1.9608912875191802,2.2982635614661504
[C][C][C][C][C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2][C][Ring2][Ring1][Branch1],CC1CCC(C)N(C(=O)NC2=CC=C3C(=C2)NC(=O)CO3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE472E0>,2.6698000000000004,0.8376477726993959,3.09352176942887,1.09471709406811
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][=N][Ring2][Ring1][C],C1C2=CC=CC=C2C3=NOC1(CCC(=O)N(C4=CC=C(F)C=C4)C)N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47350>,2.8027000000000006,0.9318763088953802,4.206506813630919,0.4528747308459815
[C][C][=C][C][=C][C][=N][N][Branch2][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C2C=NN(C(C)C(=O)NC3=CC=CC(C#N)=C3)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE473C0>,3.416100000000002,0.8056644998929002,2.646260832058873,1.3820616674056279
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C],CC1=CC=CC2=C1C=NN2CCC3=NC(C4CC4)=NN3C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47430>,3.811320000000003,0.73331145132244,2.823580450373486,0.8429768062387142
[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=N][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1],CC1=CC=C(NC(=O)C2=CC=C(C(F)(F)F)N=N2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE474A0>,2.4511199999999995,0.9182793771150369,2.331055096090738,2.260341789484446
[C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][S][Ring1][S],CC1=NC=C(CNS(=O)(=O)C2=CN(C)C=N2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47510>,0.6635199999999999,0.8868798990500251,2.7283588895328634,1.706040605717262
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],O=C(NC1=CC=C(F)C=C1)OCC(=O)N2CCOC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47580>,2.799800000000001,0.9395472709498798,2.0359431718829946,2.661793182866404
[C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][#C][O][C],CCOC1=CC=C(C(=O)C2=CC=C(Cl)C=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE475F0>,3.9783000000000035,0.7814941691451981,1.5697449162705581,2.3377259294554324
[C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1],COC1=CC(C#N)=CC=C1OC(=O)C2CC2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47660>,3.2759800000000014,0.6409194585002792,2.7758187208645317,0.4287785716368644
[C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][Ring1][#Branch2],CN(CCC1=CC=C(F)C=C1)C(=O)N2CCCC(NC3CC3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE476D0>,2.636400000000001,0.9054628121857117,2.672251127916862,1.8550629330116966
[O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][=C][Ring2][Ring1][#Branch1],OC1=CC=CC(CNCC(N2CCOCC2)C3CC4CCC3C4)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47740>,2.618800000000001,0.8415388576507067,4.351772597135372,-0.1440783088818387
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][C][Branch1][C][O][C][N][C][Branch1][C][C][=O][C][C][Ring1][#C][=O][=C][Ring2][Ring1][Branch1],C12C=CC=CC2NCCN1CC(O)CNC(C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE477B0>,-0.7481999999999991,0.6151491894160329,4.070024282762758,-0.9942783356825937
[C][O][C][C][N][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][C][Ring1][P][=O],COCCNC1C(C(=O)NC2=CC=CC=C2OCCOC)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47820>,0.4537999999999991,0.4805585092691873,3.119154528029462,-0.7163619816835256
[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CN(C)C(=O)N1C2CC(O)CC2C(=O)N1C3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47890>,1.7246999999999995,0.8556760955538689,3.893901037487012,0.38447944028233216
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N],COC1=CC=CC=C1OCC(O)CN2CCN(C3=CC=CC=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47900>,2.2571000000000003,0.8361853347375945,2.236876751774611,1.9440499219133613
[C][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2],CCOC1=C(Cl)C=CC=C1NC(=O)C2=CC=CC(NC(C)=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47970>,3.9494000000000016,0.8707686309317371,1.8154260710507586,2.5384170836079267
[C][O][C][=C][C][Branch2][Ring1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][S][C],COC=C1C(C(C)NC(=O)C2=CC=CC=N2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE479E0>,2.616500000000001,0.8556088620719163,3.4410224377393686,0.8370218726202134
[C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][=C][Ring1][S],CCCOC(=O)C1=CC=C(NCC2=NC(C3CC3)=NO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47A50>,3.1259000000000015,0.7916749268831056,2.172765115428515,1.7856095189870134
[N][#C][C][=C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][Ring1][=O],N#CC=CN(C(=O)C(C1=CC=CC(Cl)=C1)CC)C=CC=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47AC0>,3.4120800000000022,0.45941447376472044,3.7712745428104153,-1.474202173986813
[C][N][N][=C][C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][C][N][C][C][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Ring1][N][=N][Ring2][Ring1][Ring1][C][#N],CNN=CC1C(=O)[NH1]C(CN2CCCC3=C(F)C=C(F)C=C32)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47B30>,0.8194999999999992,0.6371542507122595,4.007640240342896,-0.8218689867815985
[O][=C][Branch2][Ring1][Branch1][C][C][C][Branch1][C][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][O][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(CCC(O)=NC1=CC=CC=C1[NH1]C=O)NCC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47BA0>,3.0786000000000016,0.3907254748225055,2.528461853728105,-0.5748344796155775
[C][O][C][=C][C][=N][C][Branch1][P][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][Ring1][S],COC1=CC=NC(N(C)CC2=CC=CC(F)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47C10>,2.2607,0.8302893212650426,2.17971859341273,1.9717280129124832
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P],CCC(=O)NC1=CC=C2C(=C1)C(NC(=O)COC)C3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47C80>,2.7913000000000014,0.8808127066194158,2.7851389224806162,1.618924610616463
[C][N][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][Ring1][#C][Ring1][=Branch1],CNC(=O)C=NN(C1=CC=C(C)C=C1)C2=NC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47CF0>,2.25992,0.6832389640207651,2.755438872314514,0.6607559477893119
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(CN1C(=O)COC2=CC=CC=C21)NCCC3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47D60>,2.4242999999999997,0.905884340841018,1.93916457656527,2.59025712763982
[C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][C][O][Ring2][Ring1][Ring1],CCC1CCN(C(=O)CC2=CSC(C3=CC=CS3)=N2)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47DD0>,3.3991000000000025,0.8662259077417798,3.190008229813066,1.1411213088958325
[C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1],CC1=CC=NC(NC(=O)COC2=CC=C(CO)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47E40>,1.8998199999999998,0.871705637104301,1.825276119278076,2.5332520662434295
[C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1],CC1=CC=CC(C(=O)NCCCCCN(C(N)=O)CC(C)(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47EB0>,2.716920000000001,0.7164534004768595,2.4381608513272965,1.1441061510570005
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2],NC(=O)C1=CC=CC=C1OCC2=NN3C=CC=NC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47F20>,0.8022,0.755490882112269,2.3190590314657076,1.4583953790956374
[C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][=C][C],COCC(O)CN(C)C1=NC(N)=NC(NCC2=CC=CS2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE47F90>,1.4843200000000003,0.6712116617272058,3.209340440047038,0.14671786858899116
[C][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][N][=N][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring2][Ring1][Branch2][Ring1][Branch2],C1C=C(C(=O)N(C)C2CCCCC2)N=NC=NC(C(C)(C)C)=NN1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46040>,3.104700000000001,0.8426553916291339,4.214716127492615,-0.0014391693469448796
[C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][N][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][Branch1][C][C][C][Branch1][C][C][O],CCCN(CC1=CN=C(C2=CN=CN=C2)O1)CCC(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE460B0>,2.1145,0.8022738878089586,3.2949551528899903,0.7164142861548024
[C][C][C][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Ring1][N],CCC(C)(O)CNC(=O)NC1=CC=CC(C2=NC(C)=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46120>,3.4010200000000017,0.7904796425824641,2.7243202490392804,1.22807796387304
[C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring2][Ring1][C],CCCNC(=O)C1CCN(C(C)C(=O)C2=CC=C(F)C(F)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46190>,2.7742000000000013,0.8116474095963818,2.486224686098188,1.5720123618837212
[C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],CC(=O)N1CCCCC1C2=NC(N)=NC=C2C3=CC=CC(C)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46200>,3.1077200000000014,0.924797646574304,2.816958346851772,1.8070298860197482
[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=C],COC(=O)CCNC(=O)C1CC(=O)N(C2=CC=CC(C)=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46270>,1.33564,0.8312844650967327,2.4947988878492353,1.6616234376344279
[C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CN(CCC1=CC=C(F)C=C1)S(=O)(=O)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE462E0>,2.828000000000001,0.851307096515795,1.7607523737478203,2.495783108831154
[C][C][C][C][C][C][C][Branch2][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][#Branch1],C1CCCCCC1N(C)C(=O)CNC(=O)C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46350>,2.875800000000001,0.8659462947908868,2.064676311435372,2.2650551625190616
[C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][Ring1][#Branch1][C][C][O][C][C][Ring1][=C][=C][Ring2][Ring1][Branch1],C1C2=CC=CC1(C(C(=O)N3CCCC(O)C3)CCOCC)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE463C0>,2.2889,0.7660611057989002,4.845895864053118,-1.0155903350586168
[C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][C][Ring1][#C],CCOC(=O)NCC1C=C(S(=O)(=O)NCCC(C)C)C=CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46430>,2.1579999999999995,0.7140724046437987,3.4468318127215003,0.12353021049749335
[C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][F][=C][Ring1][#C][=C][Ring2][Ring1][Branch2],C1C2=CC=CC1(C(=O)NC=CC=C(C(=O)C3=NC=CN3C)C(F)=C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE464A0>,2.918700000000001,0.49231534130018495,4.923751568798517,-2.462174862297592
[C][C][=N][C][Branch2][Ring1][Branch1][N][C][=N][C][Branch1][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch1],CC1=NC(NC2=NC(C)=NC=3ON=C(C)C2=3)=NC(C(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46510>,2.59506,0.7868162148588977,2.88244946059155,1.0516316137029387
[C][C][C][Branch1][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][N][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#Branch1][=O],CCC(CNS(=O)(=O)N(C)C)NC1C(C(C)C)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46580>,0.36420000000000097,0.6787449128215952,4.075897381017137,-0.6821728169091612
[C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][Cl],CCN(C1=CC=CC=C1)S(=O)(=O)C=2C=NN(C)C(=O)C=2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE465F0>,1.6489,0.8556210135561964,2.4322079929018035,1.8458970748791783
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][S][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1],COC1=CC=C(CSC2=NC3=C(C(=O)[NH1]2)CCCC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46660>,2.949600000000001,0.6966923127182673,2.3026347931938336,1.1808267703975028
[C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Ring1][S][=Ring1][=N],CC=CC(C)=C(C#N)C(NCC1=CC=CC=N1)=NC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE466D0>,2.615680000000001,0.38866424377152203,3.2769476372835875,-1.3336264184259774
[C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring2],CC1=CC(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46740>,0.4464199999999998,0.7510364731070125,3.2557070564101984,0.4994753091248638
[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],CCC1=CC=CC(CC)=C1NC(=O)C2=CC=C(OC3=CC=CC=C3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE467B0>,5.856000000000005,0.6078186737975864,1.7566990279251975,1.2823943410627345
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][C][C][N][Ring1][Branch2][N][=Ring1][O],N#CC1=CC=CC=C1NC(=O)C=2N=C3N=C(C)C=C(C)N3N=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46820>,1.86512,0.7773875769564641,2.3238717442835313,1.5630661404987891
[O][=C][Branch2][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2],O=C(CCN1N=NC2=CC=CC=C2C1=O)N3CCC4CCCCC4C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46890>,2.2203,0.8590728882811429,2.940628610993963,1.3547358304117516
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O],CCN(CC)C(=O)C1NN=C(C(=O)OC)C2=CC=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46900>,0.5865999999999998,0.6483512747173042,3.3753527340030836,-0.1335963604165622
[O][=C][Branch1][S][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2],O=C(CCC1=NC2=CC=CC=C2[NH1]1)NC3=CC=C(F)C(Cl)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46970>,3.926700000000002,0.7657612662516428,1.9162266538900532,1.9125796773681607
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC1=CC=CC(C)=C1OCCNC(=O)NCCC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE469E0>,3.363240000000001,0.7649379997843209,1.89052488543798,1.9341651134836244
[C][C][Branch1][C][C][C][=N][C][=C][Branch1][C][Cl][C][Branch1][O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][O][=N][Ring1][#C],CC(C)C1=NC=C(Cl)C(C2=CN=CC=C2CO)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46A50>,2.807700000000002,0.9250990889359133,2.628887118299607,1.9966083263799597
[C][N][C][=Branch1][C][=O][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C][C][O][C][=C][C][=Ring1][Branch1][C],CN1C(=O)CC(C2=CC=C(F)C(F)=C2)C1C=3OC=CC=3C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46AC0>,3.5532200000000023,0.8474625555220281,3.504695331211119,0.732617446399022
[C][C][C][N][N][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][O][C][=C][S][Ring2][Ring1][Ring1],CCCNN=C(C(=O)NC(C)C1=CC=C(Cl)C(C)=C1OC=C)S,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46B30>,3.590820000000002,0.16666383025435086,3.8460808091537384,-3.0127616578819842
[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][P],CC(=O)N1CCC(S(=O)(=O)C2=CC=C(C#N)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46BA0>,1.3428800000000003,0.8238033623552117,2.209098173013814,1.9099186387622442
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C],CC1=CC=C(CNS(=O)(=O)C2=CC=C(O)C=C2Cl)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46C10>,2.894020000000001,0.9108734651566375,2.2399678784357597,2.3143994473474274
[C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][N],CCCC1CN(C(=O)NC=2C=C(C)ON=2)CC1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46C80>,1.57412,0.8548651632479095,3.3372580863729855,0.9370677298665617
[C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1],CC1(NC(=O)NC(C)CC2=CC=CS2)CC3=CC=CC=C3C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46CF0>,3.5358000000000027,0.8902941296207822,3.0152593951390827,1.4362112529648288
[C][C][Branch1][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Ring1][Branch2],CC(C)N(C1CCC1)C2=CC=C3C(=C2)C(=O)NCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46D60>,2.7398000000000007,0.903837533168899,2.7430451699396112,1.7761424959048835
[C][C][O][C][=Branch1][C][=O][C][=N][O][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][=C],CCOC(=O)C=NOC=1N=CN(CC2=CC=CC=C2)C(=O)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46DD0>,1.2193,0.4549372503835124,2.752606873670274,-0.4779206217527121
[C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C][N][C][C][C][C][Ring1][Branch1][=O],CC1=CC=C(NC(=O)OC(C)(C)C)C=C1N2CCCC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46E40>,3.468820000000002,0.9069533841131235,2.0341723653714414,2.5005945551941764
[C][C][C][=C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][Branch2],CC=1C=CC2=NC=C(C(=O)NC3=CC=CC(N4CCCC4=O)=C3)N2C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46EB0>,3.0218200000000017,0.8004795105536057,2.2990858515612587,1.7033117012067693
[C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][Ring1][C][O][Branch1][C][O][C][=C][N][Branch1][C][C][C][=C][C][=C][Ring1][=C][Ring1][P][=C][Ring2][Ring1][#Branch1],C12=CC=C(F)C1(NC3CC(CO)(O)C=CN(C)C=CC=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46F20>,1.5230000000000001,0.7399132179633937,5.771110237438629,-2.0715441476216605
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N],COC(=O)C1=CC=C(C)C(C(=O)N(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE46F90>,1.48342,0.7105876782186229,1.7468781456780018,1.8060602454151127
[C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][=C][Ring1][#C][=N][O][Ring2][Ring1][Branch2],C1C=CC(C(=O)NC2=CC=CC(OC3=CC=C(C#N)C=N3)=C2N)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45040>,2.2212799999999997,0.6594281071415031,3.428885707685298,-0.13174517197778268
[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring1][C],CC(=O)N1CCC(C(=O)NC2=NC3=CC=CC=C3S2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE450B0>,2.4933000000000005,0.9268813935882426,1.905964389662941,2.7284425782782717
[C][S][C][=N][C][=N][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][P][N],CSC1=NC=NC(NCC2=CC=C3C(=C2)OCO3)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45120>,2.1214999999999997,0.6589171561431514,2.4455913922084136,0.8489943885073434
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C],COC(=O)C1=CC=C(C(=O)NC2=CC(C)=CC3=CC=CN=C23)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45190>,2.9206200000000013,0.7522195394176536,2.360486535333301,1.4006111617549672
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][F],COC1=CC=C(CC(=O)NCCNC(=O)C2=CC=CC=C2)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45200>,1.9229999999999992,0.7623923126295713,1.7386162881529152,2.0733452749949413
[C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][O][Ring1][=Branch1],CC1CCCCN1S(=O)(=O)C2=CC(Cl)=C3C(=C2)OCO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45270>,2.631800000000001,0.8411346575580925,2.7607262838932147,1.4449470038972478
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][N][C][Ring1][=Branch2][C][N][Branch1][C][C][C],COC(=O)C1=CC2=C(C=C1O)CCNC2CN(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE452E0>,0.9272,0.7952073587873064,3.045727754088846,0.9303090398476863
[C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CCOCC1=CC=CC=C1NC(=O)NC=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45350>,2.6006,0.8802230545204065,2.0988566860796958,2.3022585865223366
[N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],N#CC1=CC=CN=C1NCCNC2=NC3=CC=CC=C3S2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE453C0>,3.0869800000000014,0.7075682692650062,2.2576805931368824,1.2801607531881483
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][O][Ring2][Ring1][C],CC1=CC=C(C(O)C2=CC=C3C(=C2)CCCC3=O)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45430>,3.1887200000000018,0.8973212320940139,2.8089930400849017,1.6776131203851676
[C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][S][Ring2][Ring1][Ring2],CC1=CN=C(NC(=O)CN2CCCC3=CC(Cl)=CC=C32)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE454A0>,3.496220000000002,0.9407890713126517,2.2437205435090934,2.4602248130541646
[C][C][C][=C][C][=N][C][Branch1][P][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][Ring1][#Branch2][=C][C][=Branch1][C][=O][N][Ring1][P][C][=Ring2][Ring1][Branch1],C1C=2C=CC3=NC1(C=CC(CO)=C(C)C(=O)[NH1])CC(=O)N3C=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45510>,0.8879,0.6165692720140209,6.382431809195758,-3.2995854491256535
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=N][Ring2][Ring1][C],COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(C(C)=O)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45580>,2.3231,0.6912994845596917,1.880823231083351,1.5756741917151076
[C][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(C)(C)CCC(=O)N(CC1=CC=CO1)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE455F0>,4.778200000000004,0.7962614752625544,2.2200063332271114,1.7613010430856608
[C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CN(CC1=CC=CC=C1C(F)(F)F)C(=O)C2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45660>,4.1167000000000025,0.7810096680831142,1.8584402802636806,2.0466080601518906
[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][#Branch1],C1C=CC=C(C#N)C1N2CCC(NC(=O)C=3C=COC=3)CC2=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE456D0>,2.22955,0.8949648400908632,4.169539831956302,0.30528436849801377
[C][C][O][C][=Branch1][C][=O][C][N][C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][#N][Ring1][N],CCOC(=O)CNCCC1C=C(C(=O)N(C)C(C)CC)N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45740>,0.6418000000000013,0.4826978862015417,3.743409588505548,-1.3299201574978397
[C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],CCN(CC(F)(F)F)C(=O)C1=N[NH1]C(=O)C2=CC=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE457B0>,1.9474999999999998,0.9416943105448279,2.3451181143592965,2.363353438364843
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=N][C][Branch1][Ring1][S][C][=N][N][Ring1][#Branch1][C][Ring1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],COC(=O)C1=C(C)NC2=NC(SC)=NN2C1C3=CC=C(C)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45820>,2.770320000000001,0.6892598323423893,3.180778420816269,0.2655207408956777
[N][C][=C][C][=C][C][Branch1][C][Br][=C][C][=Branch1][Branch1][=C][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][C][C][Ring1][=Branch2],NC=CC1=CC(Br)=CC(=C1C)OC(=O)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45890>,3.392420000000002,0.6844668708982974,2.8367802942151386,0.5855540602763485
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],COC1=CC=CC=C1S(=O)(=O)C(C)C(=O)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45900>,1.1359999999999997,0.8791308062224943,2.4996253176112972,1.896028713501174
[O][=C][Branch1][O][C][N][C][=C][C][=N][C][Ring1][=Branch1][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],O=C(CN1C=CC=NC1=O)N2CCN(C3=NC=CC=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45970>,-0.6178999999999988,0.7511213946309457,2.288455809109834,1.4671511640448944
[C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][=N][O][C][Ring2][Ring1][Ring1][=O],CC1=CC(C(=O)NC2=NC=C(Cl)C(C)=C2C#N)=NOC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE459E0>,1.8240199999999995,0.9060595751084652,2.8247221629422903,1.7055757126000355
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][Branch1][C][C][C][Ring1][N][C][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1],COC(=O)C1=CC(OC)=CC=C1C(C)CCC(=O)CC2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45A50>,4.238800000000004,0.6710073119110891,2.8340747956900874,0.5209617638653583
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][C],CC(=O)N1C2=CC=CC=C2CN(CC3=CC=CC=C3F)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45AC0>,3.151900000000002,0.8454960796731249,2.151793620432171,2.075686777933454
[O][=C][Branch1][S][C][S][C][=N][C][=N][C][NH1][N][=N][C][Ring1][=Branch2][=Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(CSC1=NC=NC=2[NH1]N=NC1=2)NCC3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45B30>,1.8097999999999999,0.5453848201904752,2.597603645648295,0.12932045530408054
[Cl][C][=C][C][=C][C][Branch1][P][C][S][C][=N][C][Branch1][C][N][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2][=C][Ring1][S],ClC1=CC=CC(CSC2=NC(N)=CC(=O)[NH1]2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45BA0>,2.2977999999999996,0.6611663791758771,2.373758889532864,0.9320730063465215
[O][=C][Branch2][Ring1][C][N][C][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1],O=C(NCCCN1N=CC2=CC=CC=C21)C3=CC=CC4=NON=C34,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45C10>,2.3926,0.5704307334099114,2.3571116772294545,0.4950419898201024
[C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][=N][Ring1][O][S][Ring1][S],CC(=O)NCC1=CC=C(C2=CSC(NC3CCCC3)=N2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45C80>,3.8622000000000023,0.8789395748491843,2.3866877566238465,2.0080101176220753
[O][=C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O],O=C(CCC1=CC=C(Cl)C=C1)NCC2=NOC(C3=CC=CC=C3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45CF0>,3.639000000000001,0.7428805016800498,1.916798078715292,1.7976044296849572
[C][O][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Ring1],COCC1=CC=CC(CNC(=O)NC2=CC=C(F)C=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45D60>,3.9472000000000023,0.8754566473171447,1.8473630594200081,2.5299201771657156
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=C][Ring1][S],COC(=O)C1=CC=C(OCC2=CC=CC(F)=C2)C(N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45DD0>,2.7735000000000003,0.6881433915062252,1.773634476710118,1.6670824808210076
[C][=N][C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][S][Ring2][Ring1][Ring2],C1=NC(CSC2=NN=C(C3=CC=CC=C3)N2C=C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45E40>,3.238900000000002,0.7922119058333381,3.7198194270312896,0.24124010213540092
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1],CCC(C)NC(=O)NCC(C1=CC=CC=C1)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45EB0>,2.1576000000000004,0.8466195938890763,2.720330808776618,1.5127671606687638
[C][C][NH1][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C],CC=1[NH1]N=CC=1C(=O)NCC2CCN(C3=CC=CC=C3C#N)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45F20>,2.2362,0.9034329380889479,2.35153313843818,2.165631552006559
[C][O][C][C][=C][C][=C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1],COC1C=CC=C(CCC(=O)N(C)CC2COC3=CC=CC=C3O2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE45F90>,2.9663000000000013,0.7967035634998599,3.594113358096176,0.38940445940312385
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2],CCC(C)NC(=O)C1CCCN1C(=O)C2=CC=C3N=CSC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44040>,2.8156000000000008,0.9368937152101466,2.9495434037691055,1.7349251722816277
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O],CC1=NN(C)C(C)=C1CCNC(=O)C2=CC3=CC=CC=C3C(=O)[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE440B0>,1.8509399999999998,0.7684731445230176,2.258477580109421,1.5838881425056672
[O][=C][Branch1][#C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][N][C][=N][N][=C][S][Ring1][Branch1],O=C(CCC1=CC=CC(Cl)=C1Cl)NC2=NN=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44120>,3.4162000000000017,0.9412332000403556,2.2283131635484743,2.4778528366533035
[N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1],N#CC(C1=CC=CC=N1)N(CC2=CC=CC=C2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44190>,3.310880000000002,0.8305117555517322,2.8591244366025723,1.2934343411560887
[O][=C][Branch1][=N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1],O=C(CCOC1=CC=CC=C1F)NC2=CC=CC=C2CN3C=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44200>,3.4781000000000013,0.7169120274038274,2.0226959147857038,1.5618642222334334
[F][C][=C][C][=C][Branch1][C][F][C][Branch1][P][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1],FC1=CC=C(F)C(NCC2=NC3=CC=CC=C3N2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44270>,3.4636000000000013,0.7916214734368647,1.9649303702902223,1.9931769968941015
[C][N][N][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][P][N][C][=N][N][=C][Ring1][Branch1],CN1N=CC(C(=O)N2CCCC3=CC=CC=C32)=C1N4C=NN=C4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE442E0>,1.5938,0.7207917890410604,2.641294996854432,0.9626639483508699
[C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1][=C][Ring1][S],CN1N=NN=C1C2=CC=CC(NC(=O)C3CC4CCC3O4)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44350>,1.3830999999999998,0.92567881271351,4.16656541902193,0.4618286445456201
[Cl][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][P][C][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][P][=C][Ring2][Ring1][=Branch2],ClC1=CC=CC(C(CN2C3=NC=NC4=CC=CC=C34)NCCOCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE443C0>,3.450700000000001,0.7504001542604254,3.215657409524157,0.5363433617779698
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring1][S],COC1=CC=CC2=C1OCC(CNC(=O)C3CNC(=O)N3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44430>,0.04389999999999994,0.7328778177400382,3.4551967428425545,0.20919234585763657
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][P],CC(=O)NC1=CC=CC(CNC2=CC=C3[NH1]C=CC3=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE444A0>,3.7384000000000013,0.6811240657177308,1.9653878827272528,1.440232445861401
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][N],CC1=CC=CC(C)=C1NC(=O)C2NN=C(N3C=CC=N3)C(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44510>,2.3947400000000005,0.8883649756588766,3.5112215421180446,0.9306033361763388
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=C],CN(C)S(=O)(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44580>,2.283900000000001,0.9288988198335526,1.8196660912494238,2.824828007918339
[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring1][O],O=C(NC1=CC=NC=C1)NC2CCC(C3=CC=NC=N3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE445F0>,2.3293999999999997,0.9056663693739374,3.123941040118451,1.4043908067512358
[C][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2],CCN1CCN(C(=O)COC2=CC=CC(C(F)(F)F)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44660>,2.2482999999999995,0.8540067846529645,1.9306943534036556,2.339339569861167
[N][#C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],N#CCCN(CC1=CC=CC=N1)C(=O)NCC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE446D0>,2.8461800000000013,0.8914468923082692,2.140711101645161,2.316523359896185
[C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][C][=Branch1][C][=O][O][C][C][Ring1][P],CC1=NC2=CC=C(Br)C=C2C(O)=C1C(=O)OCC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44740>,3.1880200000000007,0.8655241733743666,2.208881674029591,2.1187391928422414
[C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O],CC(NC(=O)CCN1C=NC=N1)C2C3=CC=CC=C3CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE447B0>,2.6831000000000005,0.8635807001482327,3.14306771004836,1.1748357906928035
[C][N][C][Branch1][C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][P][=O],CN1C(N)=C(NC(=O)C2CCCO2)C(=O)N(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44820>,-1.2163000000000002,0.6988577143703006,2.9307836886520207,0.5635048831994824
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=NN(C)C(C)=C1CC(=O)N(CCN2CCOCC2)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44890>,1.9448399999999997,0.7937859606224109,2.2892101547443247,1.6797196483677297
[C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],CN1C=NN=C1SCC(=O)NCC2=CC=CC(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44900>,1.8769999999999998,0.8559654141149255,2.0224104819860553,2.2574165885885726
[C][C][=C][C][=C][C][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][=C][Ring1][P],CC=CC1=CC=C(OCC(=O)NCC(C)C)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44970>,2.8793000000000015,0.833347051658658,2.0014839072795496,2.1652513510137403
[C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O],CC1=NN(C(C)C)C(C)=C1NC(=O)C2=CC=NC(OC3CCC3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE449E0>,3.659440000000002,0.9091910639101008,2.4473551816123944,2.09860013793811
[C][C][S][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CCSC1=NC=C(C(=O)N(C)C)N1C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44A50>,2.6861000000000006,0.8052109204164709,2.2274509754548504,1.7986036266275045
[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C],COC1=CC=CC(OC)=C1C(=O)OC(C)C(=O)NC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44AC0>,2.1638,0.84378841322379,2.431662767628662,1.7872792984902874
[C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],CC(OC1=CC=CC(F)=C1)C(=O)NC2=CC=CC(O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44B30>,2.9373000000000014,0.9015576014175131,2.2049614487283797,2.302826558359186
[C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][S][Ring2][Ring1][=Branch1],CC1=NC=C(CNC(=O)C2=CC=CC(OC3=CC=CC=C3)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44BA0>,4.173820000000003,0.7659844922922254,1.91656457205535,1.913357889405777
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][NH1][C][=N][Ring1][Branch1],O=S(=O)(NCC1=CC=CC=C1CN2C=CC=N2)C3=C[NH1]C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44C10>,1.1330000000000002,0.7126552629577992,2.739085376417526,0.8241909383714705
[C][N][Branch1][#Branch2][C][C][=N][C][=N][N][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],CN(CC1=NC=NN1C)S(=O)(=O)C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44C80>,0.9140000000000001,0.841807616822345,2.4425773338529773,1.766460750258748
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C],CC(C)CNC(=O)CNC1=CC=C(C(=O)NC2CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44CF0>,2.9332000000000003,0.7193005454831526,1.9015712655284815,1.6949314618872813
[C][O][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][C],COC(C)(C)C1=NOC(CCC(=O)NC2=CC=C(C)C=C2Cl)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44D60>,3.4842200000000023,0.8726786120980226,2.443726586160647,1.9196664743294658
[C][=C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][=C],C=CCNC(=O)NC1=CC=C(C(=O)NC=2C=C[NH1]N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44DD0>,1.9694999999999996,0.6319113111385741,2.502468235816785,0.6570883198760855
[O][=C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring1][N],O=C(C1=CC=CC2=C1OCCO2)N3CCC(N4CCCC4=O)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44E40>,1.6847999999999999,0.8278284596858874,2.3452218149790287,1.7939204834504086
[C][O][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][O][=C][C][=C][Ring2][Ring1][Ring1][C],COC1=CC(C(=O)COC(=O)C2=CN(C)N=C2O)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44EB0>,1.4824199999999998,0.6644277750216653,2.38050951103291,0.9416293640754163
[C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1],CC1=CSC=C1C(=O)OCC(=O)NC2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44F20>,2.6622200000000005,0.8632365149947857,2.3007335589091333,2.015449016064795
[N][#C][C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],N#CC(CCC(=O)N1CCOCC1)C2=CC=CC(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE44F90>,2.5861800000000006,0.85691847562551,2.7861046962703107,1.49848768185724
[O][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][S][Ring1][Branch1],O=C(CCNC(=O)C1=CC=CC=C1)NC2=NN=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43040>,1.2967,0.8617169796171289,1.9095997127552877,2.398985185330357
[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O],CCNC1=CC=CC=C1C2=NC(N)=NC3=C2N=C4C=CC=CN4C3=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE430B0>,2.3186999999999998,0.5587442226534785,2.6371358515612595,0.15658526170613296
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=N][Ring2][Ring1][Branch1],COC1=CC=C(NC(=O)N(C)C(C)C2=CC=CC=C2SCC)N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43120>,4.360200000000003,0.7722889267163163,3.4276986131239617,0.4337460204576198
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=C],CCOC(=O)C1=CC(S(=O)(=O)N2CCCCC2)=C[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43190>,1.3659999999999999,0.8476887566637983,2.1635366068046338,2.0749071765143574
[C][C][C][=N][N][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][C][=Ring2][Ring1][Ring1],CC=1C=NN(CCC(=O)N2C3=CC=CC=C3CC2C)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43200>,2.559420000000001,0.8585745454472921,2.7070820242055333,1.585790703030927
[C][O][C][=Branch1][C][=O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][C][C],COC(=O)CCN(C(=O)C1(C#N)CCCC1)CC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43270>,2.1180799999999995,0.6986809087341406,2.6873491287247706,0.8060554149459325
[C][C][=N][C][=C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N],CC1=NC=CN1C(=O)C2CC(=O)N(C3=CC=C(Cl)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE432E0>,2.538220000000001,0.8564485382964354,2.7933792858756483,1.488863405606529
[C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],CC(CC(=O)NC1=CC=CC=C1SCCCOC2)=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43350>,4.883500000000004,0.7265000625402729,3.5842736675515177,0.04822664514984698
[O][=C][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O],O=C(C1=CC(F)=CC(Br)=C1)N2CCCS2(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE433C0>,1.7638999999999998,0.7916801500237154,2.9072873176265084,1.0511134324920688
[C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2],CCC1=NN(C)C(CC)=C1CN2CCCC2C3=NOC(C4CC4)=N3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43430>,3.142400000000002,0.8146089147228261,3.4142623454976118,0.658782228116519
[C][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][N][=C][S][Ring1][S],CC1=NC(C2=CC=C(S(C)(=O)=O)C=C2N)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE434A0>,2.1042199999999998,0.8465216465435949,2.2327659129442345,1.99984231977374
[C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#C][N],CC1=CC=C(C(=O)NCCC(F)(F)F)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43510>,2.25942,0.8036046552291309,2.031380427994403,1.9866428481512521
[O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1],O=C(NC1=CC=C2C(=C1)COC2)N3CCCC3C4=CC=CS4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43580>,4.147300000000003,0.9045844484435999,2.8227783807688365,1.7001438614491633
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N],CC(C)C(=O)NC1CC(=O)N(C2=CC=C(F)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE435F0>,1.7031999999999996,0.9030616541243054,2.427262665331451,2.088045605290076
[C][C][Branch1][C][C][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][P][=O],CC(C)N1N=C(C(=O)NCC2=CC=C(Cl)C=C2)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43660>,2.4076000000000004,0.9431584424735118,1.992379429450736,2.7234127829168226
[C][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][C][Ring1][=Branch1][=N][Ring1][P],CSC1=CC=C(Cl)C(C(=O)NCC2CC=CCC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE436D0>,3.543000000000002,0.6823855146338368,3.082841758033619,0.3290858151355649
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C],CCOC(=O)NC1=CC=C(NC(=O)CCSC2=CC=CC=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43740>,3.770900000000002,0.7467427995596463,1.9841284561639316,1.7495855416342998
[C][C][Branch1][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F],CC(C)CCC(C)NC(=O)C1=CC=C(Br)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE437B0>,4.142700000000003,0.8688090095847331,2.3900608046035803,1.9539842433200851
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][Ring2],COC1=CC=C2[NH1]C=C(CC(=O)NCC3=CC=CN=C3)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43820>,2.4304000000000006,0.759425224785488,1.9812745591098349,1.8158515648176055
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring2][Ring1][C],COC1=CC=C(F)C(NC(=O)NCCC(=O)N(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43890>,1.4341,0.8585725219167417,1.9219824620581036,2.3708801475256047
[C][C][C][N][N][=C][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CCCN1N=CC(C)=C1NC(=O)CC2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43900>,3.4361200000000016,0.917147341027399,2.15471771846836,2.4310189866686347
[C][C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O],CCNC(=O)CN(CC1=CC=CC=C1)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43970>,0.5842999999999996,0.8222003399221725,1.9135206065256671,2.1974810930851953
[C][C][C][C][N][C][=Branch1][C][=O][C][C][=N][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O],CCCCNC(=O)CC1=NC=2SC=C(C)C=2C(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE439E0>,1.75182,0.8187990853520561,2.4396419769062305,1.6543534498540504
[C][O][C][=C][C][Branch2][Ring1][C][C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1],COC1=CC(CN2CCCC3(C2)OCCO3)=CC(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43A50>,2.0427,0.8494233937638278,2.8988417733187415,1.3482751955003973
[C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1],CCCCN(C(=O)C1=N[NH1]C2=C1CCC2)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43AC0>,3.4068000000000014,0.9166971730722844,2.8089001455240634,1.7745857198373587
[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][N][=C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1],CC(C)(C)N1N=CC2=C1N=C(O)CC2C3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43B30>,3.1567000000000016,0.8653515172271256,3.601229855321785,0.7255277308138428
[O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][N][C][C][C][Ring1][Ring1],O=C(CNC(=O)CN1CCCCCC1=O)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43BA0>,0.48429999999999906,0.7738131567129845,2.2560185029149924,1.6130472806499299
[Cl][C][=C][C][Branch1][#C][C][N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][C][Branch1][C][N][=O],ClC1=CC(CNC(O)C2=CC=CC=C2)=CC=C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43C10>,2.2196,0.7391968661046161,2.5345394707064024,1.1614448598166782
[C][C][N][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C],CCN(CC1CCOC1)C(=O)C2=CC=C(S(=O)(=O)C3CCCC3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43C80>,2.9015000000000013,0.7775159023936979,2.8119419560667485,1.075637555901741
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],CCCN(CC1CC1)S(=O)(=O)C2=CC=C(C(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43CF0>,3.620700000000003,0.7701803361678488,2.016387590263232,1.834514090576012
[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CC1=CC=C(N)C=C1NC(=O)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43D60>,3.1077200000000005,0.816924250689562,1.7140350381990732,2.3705862152487365
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2],O=C(NC1CCCC1)C2=CC3=C(S2)CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43DD0>,3.6894000000000027,0.8100949146402586,2.077773045730668,1.9727015274706252
[N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],NC1=CC=C(F)C=C1C(=O)NCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43E40>,1.9309,0.7971543841967936,1.9168617741482485,2.0689101468357194
[C][C][Branch1][C][C][N][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(C)N1C=C(O)C(=O)C=C1CNC(=O)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43EB0>,2.595600000000001,0.809754714174062,2.360796915830976,1.6879766550393338
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][P],COC(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CN=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43F20>,1.3467,0.8427294489431164,1.7822657847085708,2.431381460007011
[Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][=N][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][Ring1],ClC1=CC=C(CNC=2C=NN(C3=NC=CC=N3)C=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE43F90>,2.9278000000000004,0.8006500252556856,2.1899940222493264,1.8132561040291018
[C][C][=C][C][Branch2][Ring1][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][O][Ring2][Ring1][Branch2],CC1=CC(CN(C)C(=O)NC(C)C2=NC(C3=CC=CC=C3)=NO2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42040>,2.935620000000001,0.766099986857951,2.8369898433906915,0.9935100908990635
[C][C][C][N][C][=Branch1][C][=O][C][N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P],CCCNC(=O)CN1C(CNC(=O)C(C)(C)C)=NC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE420B0>,2.2247999999999992,0.8525655818156838,2.1400943424515564,2.122733566626862
[O][=C][Branch1][=C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1],O=C(C=1C=C2C=CC=CN2N=1)N3CCCCC3CCN4CCOCC4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42120>,2.0513,0.8532959385249587,2.968510648052341,1.2979690445724525
[C][C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][C][C][#N][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2],CCC(NS(=O)(=O)C1=CC=CC(CC#N)=C1)C2=CC=C(C)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42190>,3.629800000000003,0.8681368770810163,2.7146211895946912,1.6260631958103904
[C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(C)(CNC(=O)NC1=CC=CC(Cl)=C1)C2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42200>,3.8343000000000016,0.9015205999456458,2.0852102436394713,2.422392756088758
[C][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2],CC1C(C2=CC=C(F)C=C2F)N(C(=O)CC(C)(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42270>,4.310500000000004,0.795837759115414,3.1978909071868653,0.7812978883902044
[O][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][N],O=C(C1=CSC(C2=CC=CC=C2)=N1)N3CCN(CC=4C=CSC=4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE422E0>,3.829600000000003,0.7012357698912656,2.118038346363752,1.3881405030925755
[C][O][C][=C][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring1][=Ring1][=C],COC=CC=CC=1C(C)=CC(=O)N(CC2=CC=CS2)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42350>,3.4398200000000028,0.6228781924409182,2.923844540330709,0.19054642187388238
[C][C][=C][C][=N][C][=N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][C][Ring1][=C],CC1=CC=NC2=NC(C(=O)NC3=CC=NC=C3)=NN12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE423C0>,1.0800199999999998,0.7392293130930426,2.3434878246433986,1.3526587408218145
[O][C][C][O][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][O][C][=N][N][Ring1][Branch1][C][C][O],OCCOC1=NC(C2=CC=CO2)=NC3=C1C=NN3CCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42430>,0.4496999999999996,0.6783903666366184,2.654408815892447,0.737543017290645
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][Ring1][#C],CN(C)C(=O)CC1=CC=C(NCC2=CC=CC=C2Cl)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE424A0>,2.977800000000001,0.9233962487590471,2.031623281449118,2.5853579623461176
[C][C][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][#N][C][C][C][Ring1][=Branch1][C][=N][Ring1][S],CCNC1=CC=C(C(=O)N(C)C2(C#N)CCC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42510>,2.0316799999999997,0.8968034446818158,2.653251606246412,1.8307656171626672
[O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][=N],O=C(NC1=NC=CS1)C2=CN(CC3=CC=CC(F)=C3)N=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42580>,2.1742999999999997,0.8014899499971537,2.2214327755393573,1.7860169744464116
[C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][Branch1][O][C][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][=N][O][Ring1][N][C][=C][Ring2][Ring1][#Branch1],COC=C1C=CC(CNC(=O)C(C2C=C(CN(C)C3CC3)C=NO2)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE425F0>,2.1704,0.6764707584370749,4.693921089781506,-1.3115672975961314
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][N][N][=N][N][=C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][=C][Ring2][Ring1][=Branch1],CC=C1C=C(C)C(N2N=NN=C2C3(C4=CC=CC(C)=C4)CCC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42660>,4.198620000000004,0.8516758103476819,3.273055202180063,0.9853238495583465
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1],CCOC(=O)CN(C(=O)OC(C)(C)C)C1CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE426D0>,1.9489999999999998,0.7080695729923132,2.2018997986237743,1.3384480663377918
[C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C],CC(=O)C1=CC(Cl)=CC=C1OCC=2C(C)=NN(C)C=2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42740>,3.471940000000002,0.8105544706205331,2.1120670774427186,1.9407052756599468
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],COC(=O)C1=CC=C(NC(=O)C2=CC=C(S(C)(=O)=O)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE427B0>,2.1290000000000004,0.8658315332205051,1.5959133993474595,2.733244266755066
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][N][=Ring2][Ring1][=Branch2],CC=1C=C(C)N(C2=CC=CC=C2NC(=O)NCC3=CC=CC=C3C#N)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42820>,3.682520000000001,0.7564482563780476,2.178164000898171,1.6040772809920667
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][Branch1][C][C][C][=C][C][=C][S][Ring1][Branch1][S][Ring2][Ring1][C],C1C=CC=C1C(=O)OC(CO)C(C)C2=CC=CS2S,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42890>,2.6701000000000015,0.41533453433314954,5.339107044724628,-3.26243437305888
[C][C][=C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][Ring1][P][=O],CC1=CN(C(=O)NC2=CC=C(Cl)C(F)=C2)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42900>,3.029420000000002,0.872789126556275,2.507350422814458,1.8565952099669172
[C][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][S][=N][O][Ring2][Ring1][=Branch1],C1C=NC(C2=CC=CC(NC(=O)C3=CC=C(Cl)C=C3)=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42970>,3.3549000000000015,0.9440791531828798,2.598559895648295,2.1218358702661044
[N][#C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][C][C][O][C][C][Ring2][Ring1][Ring2],N#CC1(C(=O)NCCC2=C(F)C=C(F)C=C2F)CCOCC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE429E0>,2.08298,0.9257300626678122,2.7014302928740204,1.9272200204650405
[C][C][N][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][O][C][C][Ring1][=N][C][C][Ring2][Ring1][Branch1],CCN1CCN(C(=O)C2(C3=CC=CC(C)=C3)CCOCC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42A50>,2.20732,0.8569783069283159,2.3092104023444637,1.9756811322971153
[C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Branch1],COC(=O)C(O)(CC1=CC=C(C(C)C)C=C1)C2=CC(N)=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42AC0>,2.7011000000000007,0.445445224122145,2.930465105678609,-0.703238985067884
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC1=CC=CC(C)=C1NC(=O)NCC2=NN=NN2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42B30>,2.854820000000001,0.7501425891007771,2.1149493130997197,1.6357636324041662
[C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring2][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O],CN1C(=O)C2=C(N=CN2CC(=O)OC3=CC=CC=C3)N(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42BA0>,0.039299999999999446,0.5029447015146786,2.2192210229738336,0.2955024845995595
[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][N][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][C][=C][Ring1][=N],CC(C)COC1=CC=C(CN2C=C(Br)C=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42C10>,3.7287000000000026,0.8413029129590777,1.9798099961276616,2.226704568667727
[O][=C][C][C][C][N][Ring1][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1],O=C1CCCN1CCOC2=CC=C(Cl)C=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42C80>,1.7362000000000002,0.8051841740141752,2.1612257328734152,1.8646951371974607
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][=N][C],CCCC(=O)NC1=CC=C2C(=C1)N=C(CN3CCOCC3)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42CF0>,2.1441,0.918009012412201,2.126325786959848,2.463719275101157
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2],CCC(=O)N1CCC2=CC(C(=O)N3CCOCC3C4CC4)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42D60>,2.2367,0.8548874072043487,2.9005394948188794,1.3738975412028642
[O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1],O=C(NCC1=CC=C(N2C=CC=N2)C=C1)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42DD0>,2.4647000000000006,0.7594151979599085,2.0651370849974082,1.7319389048021345
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][Ring1][C][O][C][C][C][C][Ring1][Ring2],CCS(=O)(=O)NC(C1=CC=CC(F)=C1)C(CO)C2CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42E40>,2.2146999999999997,0.8105699065662754,3.3695710257525118,0.6832785070788647
[C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C],CCC(C)C1=CC=C(S(=O)(=O)NC=2C=N[NH1]C=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42EB0>,2.724,0.8832957843354317,2.6570367749663717,1.7594421467107866
[C][N][N][=N][C][=C][Branch1][S][N][C][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][N][=C][N][Ring1][S][C],CNN=NC=C(NCC=1C=NN(C(C)C)C=1)N=CNC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42F20>,1.1867999999999996,0.2881635170579021,4.178182278907921,-2.7373646936184106
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2],COCCN(CC1=CC=CC=C1)C(=O)C2CC(=O)N(C(C)C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE42F90>,1.9184999999999999,0.7715979350820813,2.6075087092778073,1.2504809661325993
[C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],CCN1C(=O)C(C(=O)NC(C)C=2C=NN(C)C=2)=NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41040>,1.6408999999999994,0.7904443599976784,2.744796035644164,1.2074257643442277
[C][=C][O][C][Branch2][Ring2][C][C][=N][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][S][C][=N][Ring1][Branch1][=C][Ring1][#C][=C][C][=N][Ring2][Ring1][Branch2],C=C1OCC=NC(C2=CC=CC(C(=O)NCC3=CSC=N3)=C2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE410B0>,3.0570000000000013,0.9186960832075509,3.7777715884447884,0.8157088275929665
[C][N][C][=C][C][Branch2][Ring1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=N][Ring2][Ring1][#Branch1],CN1C=CC(NS(=O)(=O)C2=CC=C3C(=C2)C(=O)C4=CC=CC=C43)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41120>,2.4323000000000006,0.6214686868474787,2.225314704442507,0.8820287297948863
[C][O][C][=C][C][=C][NH1][C][=C][Branch1][#C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][#C][=C][Ring2][Ring1][Ring1],COC1=CC=C2[NH1]C=C(OC3=NC4=CC=CC=C4O3)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41190>,4.110000000000002,0.6131645085012689,2.3799555311021443,0.6858670114042003
[C][N][C][=Branch1][C][=O][C][N][N][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][C][Ring1][S][=O],CNC(=O)C1NN=C(CN2C=CC(C(F)(F)F)=N2)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41200>,-0.06509999999999994,0.7654624104192665,3.9467612662503146,-0.11944921415398202
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][N],COC1=CC=CC=C1N2C(SCC3=CC=CN=C3)=NN=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41270>,2.5453999999999994,0.7292864392193287,2.1949574918021426,1.4514747042945007
[C][C][C][N][Branch2][Ring1][=Branch2][C][C][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][C],CCCN(CCC(C1CCOC1)NC2=CC=CC=C2OCC)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE412E0>,3.160800000000002,0.6316746880741502,3.5255518657088825,-0.36717842533813183
[C][C][=C][Branch1][C][N][C][=C][C][C][=N][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2],CC1=C(N)C2=CCC=NN(CC(=O)NC3=CC=C(F)C=C3)C(=O)N12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41350>,1.9653999999999998,0.8879362859531444,3.124385042795989,1.3152963869697327
[C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][#N],COCC(O)CN(C)S(=O)(=O)C1=CC=CC(F)=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE413C0>,0.32518000000000025,0.8172549374922189,2.892707980969723,1.1935667064913718
[C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][=N],C1OCC(C)NC(=O)NC=NC=C1CC2=CC=CC=C2OCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41430>,1.1877999999999995,0.7269215200118577,4.249731229497865,-0.6151236294385765
[C][N][Branch1][C][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][C][Ring1][#Branch1][=C][C][=N][C][=C][C][Ring2][Ring1][C][=Ring1][=Branch1],CN(C)C1=CC(C(=O)N2CCOC(C)C2)=C3C=NC=CC13,<rdkit.Chem.rdchem.Mol object at 0x000002761EE414A0>,1.2036999999999998,0.7665190518286406,4.464360924881037,-0.6317656657378339
[O][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][C][C][C][Branch1][P][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][C][Ring1][#C],O=C(CN1C=CC=N1)NC2CCC(C=3C=C(C4=CC=CO4)ON=3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41510>,2.5836000000000006,0.7785794478987674,3.4179203051078177,0.4749769343860195
[C][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1],CC1=CC=C2N=C(C)C(C(=O)N(C)C3=CC=C(C)C=C3C)=CC2=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41580>,4.140080000000003,0.7129295167650123,2.2767873494445645,1.2878602343804966
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][C][C][C][Ring2][Ring1][Ring2][Branch1][C][C][C],COC(=O)C1CCN(C(=O)C(C2=CC=CC=C2)NC(C)CCC)C1(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE415F0>,3.306000000000001,0.75811415513192,3.6878885023749675,0.10268227328463286
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(N(C)C(=O)CNC(=O)C2=CC=CC(C)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41660>,2.39642,0.9220602935529503,1.8074883306661427,2.8028131370986085
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1],CC1=CC=C(C)C(OC(=O)CC2=CC=C3C(=C2)CCCC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE416D0>,4.330340000000003,0.621882603277088,2.021411269274669,1.0880017471107712
[O][=C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][N][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1],O=C(C1=CN2C=CC=CC2=N1)N(CCO)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41740>,0.9311999999999998,0.8714599121786497,2.4370724395665757,1.9202271213266728
[C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],CCOC(=O)CNC(=O)C1=N[NH1]C2=CC=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE417B0>,0.8557999999999997,0.7845550489628796,1.9746651997475695,1.9481100450668287
[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl],CC1CCCC(C)N1C(=O)C2=CC(N)=C(F)C=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41820>,3.4644000000000013,0.8028526245271325,3.024990590330928,0.9892725323047342
[C][S][C][=C][C][=C][Branch1][C][C][C][Branch1][S][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][C][C][=C][Ring1][P],C1SC=CC=C(C)C1C(=O)NN2C=NN=C2CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41890>,1.8997,0.8532980513266103,4.3781597067515685,-0.1116694501185167
[O][=C][C][C][=C][C][Branch1][=N][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][N][Ring2][Ring1][C][N],O=CCC=C1C(C(O)C2CCCCC2)=CC=C1NN,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41900>,1.7302,0.4005412895391341,4.137631501623363,-2.1349250539276925
[C][C][=N][NH1][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][#C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C],C1C=N[NH1]C1(C(=O)NCC(C)(CC2=CC(Cl)=CC(Cl)=C2)CC(=O)N)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41970>,2.2716000000000003,0.6718677215796297,4.1746555526663105,-0.8153169447681621
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1],CC(=O)C1=CC=C(NC(=O)NC2CCN(C3=NC=CC=C3F)CC2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE419E0>,2.5377,0.8674133634972256,3.734682312120812,0.6023845053653165
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=C],O=C(C1=CC=CC(Cl)=C1)N2CCN(C(=O)N3CCOCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41A50>,1.5499999999999998,0.7810149907812991,1.9770831296171885,1.927991824289307
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][F][=C][C][=C][Ring2][Ring1][C][F],CC(=O)NC1=CC(NC(=O)C2=CC=C(C)C(C)=C2F)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41AC0>,3.792340000000002,0.9043075226622928,2.003051435504851,2.518486177806613
[C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C],CC(=O)NC1=CC=C2N=C(NC(=O)C=3C=C(C)ON=3)SC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41B30>,2.803420000000001,0.7741071119125769,2.1555896102884944,1.71494594927439
[C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1],C1C=CC(C(=O)OCC(=O)NC(C)CN2CCCCC2=O)(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41BA0>,0.39190000000000014,0.5642999216814238,3.7232802602779813,-0.9017806518708622
[O][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][Br][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1],O=C(C1=CC(Br)=C2C(=C1)OCO2)N3CCCC3C4=CC=CO4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41C10>,3.7481000000000027,0.8146578529598169,2.883942533875347,1.189346730923737
[C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1],CC1=CC(C(=O)NCCCO)=CC(C2=NC3=CC=CC=C3[NH1]2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41C80>,2.04552,0.6290025530255123,2.2607824303164925,0.8842303348110692
[C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][N][Branch1][=C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][#C],CCCNC(=O)CNC1CCN(C2=NC=NC=C2C(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41CF0>,1.6845999999999999,0.8001156292005037,2.459473027411704,1.5411051185908144
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring2],CCOC1=CC=C(OC(=O)C2COC3=CC=C(F)C=C3C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41D60>,3.3811000000000018,0.6405930987033713,2.5042540327043827,0.6987114608124738
[C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],COCCN(C(=O)CCNC1=NC=CC=N1)CC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41DD0>,2.092899999999999,0.7615197315352948,2.16114049629771,1.646458161378764
[N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][Ring1][N][=O],NC(=O)CCN1C=NC2=C(F)C=C(Br)C=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41E40>,1.1734999999999995,0.9236812825131582,2.349923118299607,2.2684832942661837
[C][=C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F],C=CCN(CC1=CC=CC(C#N)=C1)C(=O)C2=CC=NC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41EB0>,2.9207800000000015,0.7968855949972655,2.3644320420502805,1.619995932936047
[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],CN(C)S(=O)(=O)NCCC1=CC=C2C(=C1)OCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41F20>,0.35380000000000034,0.8397933170928908,2.212284041376531,1.9866825440879232
[C][C][N][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CCNC(=O)CN1N=NN=C1CC2=CC=C(Br)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE41F90>,1.1625,0.8958265816369547,2.1783233024988764,2.300809605685897
[O][=C][C][C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][=N][N][Ring1][P],O=C1CCC2=CC(C(=O)NCC3CC3)=CC=C2N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F040>,1.7110999999999998,0.8500484599892393,2.046811806082413,2.2034304938637828
[C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][C],CNC(=O)C1=CC(CC2=NC3=CN2C4(CCCC4)CC3)=N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F0B0>,1.7720999999999998,0.9066978280082502,5.109228880560392,-0.5757397405191407
[C][O][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][NH1][C][Ring1][Branch2][=O],COCCN(CC(F)(F)F)C(=O)C1=C(C)C(C)=N[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F120>,1.0376400000000001,0.8816489998373735,2.70370236169091,1.7045426374959582
[C][C][Branch2][Ring1][N][N][C][=N][C][=N][C][Branch1][=C][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][N][C][=C][C][=C][Ring1][Branch1],CC(NC=NC=NC(N1CCCC1C2CCCC2)=CN3C)=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F190>,3.8594200000000027,0.8971317051660685,3.920223780993571,0.5654347448367716
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(CC)C(=O)C(C#N)CCN(C)C1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F200>,2.5210800000000004,0.7666604786646077,2.8884848802968097,0.9448175130262291
[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=Branch1][C][=O][C][Branch1][P][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][=Branch2],COC=CC=C(C=CC(=O)C(NCC1=NC2=CC=CC=C2N1C)=C)N=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F270>,3.0465000000000018,0.32660660088464527,3.629672482087475,-1.9966394776642487
[C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][NH1][Ring2][Ring1][C],CC1=C(Cl)C(C(=O)N(C)C2=CC=C(F)C(F)=C2)=N[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F2E0>,2.9263200000000005,0.9221280826195613,2.557794644881982,2.0528457682158248
[C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Ring1][O][N],CCN(CC)S(=O)(=O)C1=CC(C(=O)C(C)C)=CC=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F350>,2.1380000000000003,0.6442269384433147,2.2511335468707276,0.9700011453458459
[C][C][=C][Branch1][C][C][N][C][C][=Branch1][C][=O][NH1][C][Branch1][Branch2][C][N][=C][S][Ring1][Branch1][=N][N][Ring1][#C][C][=Ring1][P][C][=C][S][C][=N][Ring1][Branch1],C=1C2=C(C)NCC(=O)[NH1]C3(CN=CS3=N)N2C=1C4=CSC=N4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F3C0>,0.82687,0.7089354815033988,5.823367945630044,-2.27869053811305
[C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2][C],COC1=NC=CC=C1NC(=O)C=2C=C(C)N(C3CC3)C=2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F430>,3.095740000000002,0.9387756826952259,2.16154839496798,2.5323300185081496
[O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring1][#C],O=C(CN1C=NN=N1)N2CCC(C(=O)N3CCCCCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F4A0>,0.31430000000000047,0.8003426657537553,2.2742685904250397,1.7274447383437366
[C][C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Ring2][Ring1][Branch2],C=1CC=C(SC2=CC=CC=C2)CN(C(=O)CSC3=NN=CN3C)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F510>,3.3294000000000015,0.7675487004365771,3.168529946847161,0.6692135553357241
[O][=C][Branch1][P][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],O=C(CSC1=NN=NN1C2CCCC2)NC3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F580>,2.3292,0.8451466137146479,2.2356071440053693,1.9901259245678702
[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][N][Ring1][O][C],COC(=O)CCNC(=O)C1=CC2=C(OC)C=CC=C2N1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F5F0>,1.4798,0.8468356548606648,2.068084469238535,2.166093805064789
[C][N][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][S][Ring2][Ring1][Ring2],CNC(=O)C=C(N1C=C(C)C=N1)C(C2=CC=C(F)C=C2F)=CS,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F660>,3.027520000000002,0.5125105193119064,3.3754364762705364,-0.8128838797110047
[C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][N][=C][N][=C][Ring1][=Branch1][O][C][Ring1][O][=O][C][Branch1][C][C][Branch1][C][C][C],CCC(NC(=O)C=C1C=C(C2=CN=CN=C2)OC1=O)C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F6D0>,2.2416,0.6805248614831491,3.6986780087283577,-0.29605370131261255
[C][C][C][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][C][Ring1][=N],CCCNC(=O)NCC1C(=O)N(CC(C)(C)C2CC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F740>,1.980299999999999,0.7542235991807589,3.247858432242217,0.5232595636615773
[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O],CCC(C)C(=O)N(C)CC=NC(C)=C(C)SC=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F7B0>,2.7365000000000013,0.5277332548566273,4.392139773507018,-1.7534734992238814
[C][C][C][=C][Branch1][C][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][C],CCC1=C(C)SC(NC(=O)CC2=CC=CC(F)=C2F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F820>,3.473320000000002,0.9383246741091377,2.236961669517312,2.4546617010283764
[C][C][C][C][=N][O][C][Branch2][Ring1][N][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1],C1CCC=NOC1C(C)SC2=NN=C(C)N2C3=CC=C(C)C=C3N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F890>,3.5018400000000014,0.6775868711573034,3.9489948127873777,-0.5610604570008606
[C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br],CCOCC(=O)NC1=CC=C(C)C=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F900>,2.732520000000001,0.9147659482858403,1.8099188598920968,2.7639108815371047
[C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],COC1=CC=C(C(C)=O)C=C1CC(=O)OCC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F970>,3.3228000000000018,0.6058051863423056,1.8916513114353712,1.137374620276157
[C][=C][N][=C][C][Branch2][Ring1][P][N][C][C][O][C][Branch2][Ring1][=Branch1][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2],C1=CN=CC(NC2COC(CCCN(CC3=CC=C(F)C=C3)C)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3F9E0>,3.702300000000003,0.7929320110004396,3.1557940482963858,0.8088660067058124
[N][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][C][O][=N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][N],NC(=O)CN1C(CO)=NC2=CC(O)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FA50>,-0.2805000000000001,0.66293614820242,2.318155468355325,0.9965252726567746
[C][C][Branch1][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O],CC(O)CCNC(=O)NCC1=CC=CC(NS(C)(=O)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FAC0>,0.6281999999999996,0.5916219959175837,2.513030901877844,0.4450790777100746
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1],CC1=CC=CC(C)=C1NC(=O)CN(C)C(=O)C2=CC(Cl)=C[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FB30>,2.9956400000000007,0.9095055771609912,2.2499241264175254,2.2976037593874308
[C][C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch2][S][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][N][C][C][O][C][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2],C1C2CC=CC(=O)[NH1]C1(SC(C)C(=O)N(C)CC(C)NCCOCC)N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FBA0>,0.6729000000000014,0.4805111865262136,5.400043822153974,-2.9974878895229065
[C][#C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],C#CCNC(=O)NCC(C1=CC=CC=C1Cl)N(C)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FC10>,3.449900000000002,0.7903408564039476,2.827979540067748,1.1237247419519898
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2],CC(=O)C1=CC=CC(OC(C)C(=O)NCC2=CC=CC=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FC80>,3.281320000000002,0.8329781085499346,2.234283468893194,1.9306070738564785
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][S],C1OC=CC=CC1OS(=O)(=O)C2=CSC(C)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FCF0>,1.62552,0.7830150965985099,4.119457152759915,-0.20438166976736527
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N],CC1=CC=CC=C1CN(C)C(=O)COC2=CC=C(N3CCCC3=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FD60>,3.159220000000002,0.8023542499794579,2.0051188865530563,2.0066523633442337
[O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][N][C][C][C][C][Ring1][Branch1][C][O],O=C(NC1=CC=C(OC2=CC=C(F)C=C2)N=C1)N3CCCC3CO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FDD0>,3.001600000000002,0.9030157849742402,2.558337881598341,1.95674104327286
[C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][C][C][C],CCOC1=NC=CC=C1CNC(=O)C=2SC=CC=2C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FE40>,3.595200000000002,0.8869181334387775,2.3234861236916213,2.1111045435022664
[C][C][Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1],CC(C)C(NC(=O)C1=CC=CS1)C(=O)NCC2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FEB0>,1.7976999999999999,0.8416972616520249,2.840934588505549,1.3675517197545748
[C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],CC(C(=O)NC1=CC=CC=C1Cl)N2CCC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FF20>,3.7253000000000025,0.9360448856796827,2.2498967577764457,2.430327670621968
[C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CN(CC1=CC=CC(OC(F)(F)F)=C1)C(=O)CC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3FF90>,3.9254000000000024,0.771559493113858,1.9729293074865222,1.8848681580827678
[C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][O][Ring2][Ring1][C],CCC1=CC=C(C(=O)C2CCN(C(=O)N(C)C)CC2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40040>,2.4183000000000003,0.7978442404919635,2.4123068443424867,1.5769143581173308
[C][C][=N][C][Branch1][S][C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][=N][S][Ring1][S],CC1=NC(CN2SC3=CC=CC=C3C2=O)=NS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE400B0>,2.2712200000000005,0.7123167098600194,3.0728596744622196,0.48872387483787705
[C][#C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1],C#CCN1CCC(C(=O)NCC2=CC=C3C(=C2)OCO3)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40120>,1.3766999999999996,0.8535845226220252,2.2220483571867575,2.0458742559233682
[C][#C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],C#CCOC1=CC=C(CNC(=O)C2=CN=C(C3CCCO3)S2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40190>,2.936600000000001,0.8201649366591677,3.0138743364478398,1.086950346847999
[C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][N],CC=CC1OC(=O)C=C(C2O)C=C(C3=CC=CC=C3)C=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40200>,2.798800000000001,0.6690814229730483,4.766590171963543,-1.4211830570983013
[C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring2][Ring1][Ring2][C],CCNC(C)=CC(C(=O)NC1=CC=CC=C1OC(F)F)=CC=CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40270>,4.242300000000003,0.5512866437289162,3.0097691676263825,-0.25333594898180145
[C][N][N][=C][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][C][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][=C][N][=C][N][Ring1][P][C][Ring2][Ring1][Ring2][=O],CN1N=C2C=CC=C(F)C(CN3C=NN=C3)=C2N=CNC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE402E0>,0.5114999999999998,0.744041915626417,3.1875892912526904,0.5326202868793946
[C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=C][NH1][N][=Ring1][Branch1][=C][C][=N][Ring1][=C],CCC(=O)NCCC1=CC(C(=O)NC=2N=C[NH1]N=2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40350>,0.5206999999999992,0.7169779348613906,2.8230690050475538,0.7618206692593992
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][C],CNC(=O)C1=CC=C(NC(=O)NCC2=CC=CC(OC)=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE403C0>,2.684920000000001,0.7897671761854828,1.8192073160451265,2.129628564882287
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][=N][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC(C)=C(CNC=2C=NN(C3=NC=CC=N3)C=2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40430>,2.6000200000000007,0.7507594062535194,2.3959411651940314,1.3578558660735656
[O][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][S][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1],O=C(NC1=NC(C2=CC=C3C(=C2)CCC3)=CS1)C4CCCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE404A0>,4.817600000000004,0.8785542781297526,2.0756850218426113,2.3170863688061516
[C][O][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],COC(=O)C(CC1=C[NH1]C2=CC=CC=C12)NC(=O)C3=CC=CC=C3OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40510>,2.6906000000000008,0.6685940182014477,2.3632743483248078,0.9796957426824306
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][=C],CC1=CC=CC=C1C2=NOC(CNC3=CC=CC(C)=N3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40580>,3.3605400000000003,0.7935307223041281,2.123672119801652,1.8439814917189885
[C][O][C][=C][C][=C][Branch1][S][C][C][=N][C][Branch1][C][C][=C][Branch1][Ring1][C][O][S][Ring1][Branch2][C][=C][Ring1][#C][O][C],COC1=CC=C(CC2=NC(C)=C(CO)S2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE405F0>,2.551820000000001,0.9135744442012066,2.189131091565155,2.3787411294408773
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C],COC1=CC=CC=C1CCNC(=O)CS(=O)C2=CC=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40660>,2.4701200000000005,0.8478531727587929,2.5926634356091682,1.6466024281847966
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(C(=O)NCC(=O)N(C)CC2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE406D0>,2.38342,0.9207112759020771,1.6148169055738535,2.9887394739365325
[C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O],CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=3N=C[NH1]N=3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40740>,2.6825,0.7468377381546487,2.4500174193746336,1.28417127139861
[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O],COC(=O)CC1=C(N)C(=O)N(C2=CC=CC=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE407B0>,0.33569999999999933,0.6247202054675184,2.367261961275995,0.7563390660615972
[C][C][C][N][N][=C][C][Branch1][P][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][O][C][=C][Branch1][Ring1][C][O][C][Ring2][Ring1][C][=O],CCCN1N=CC(C2=CC(C)=C(C)C=C2OC)=C(CO)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40820>,2.4380400000000004,0.9210938454699542,2.499060280263679,2.1064089470860923
[C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],COCCN(CC=1C=CSC=1)C(=O)C2=CC=C3C(=C2)CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40890>,3.5256000000000025,0.8160047767408322,2.21324090526368,1.8667829784404812
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(C(=O)NCC2=C(C)N=C(N)N=C2OC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40900>,1.61424,0.8908922740505091,2.096022665525009,2.3584387047275364
[C][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][Ring1][P],CNC1=C2C=C(NC(=O)NCC3=CC=C(F)C=C3)C=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40970>,3.169500000000001,0.6823670830463932,2.211748993772005,1.2000864214599605
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][=C][Ring2][Ring1][=Branch1],CC1=CC=CC(NC(=O)NC2=NN=C(CC3=CC=CC=C3)O2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE409E0>,3.612820000000002,0.7712411814178081,1.9889365582780822,1.8672693488109582
[C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F],CN(CC1=CC=NC=C1)S(=O)(=O)C2=C(F)C=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40A50>,2.1805000000000003,0.8690604947452603,2.1311241869998288,2.2141782867264723
[O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2],O=C(CCNC(=O)C=1C=CSC=1)NC2=CC=C3C(=C2)OCCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40AC0>,2.668000000000001,0.8725818000531295,2.1506339028911174,2.2122750973745298
[C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][Ring2][Ring1][Ring1],CC1CCN(C(=O)C=2C=NN(C3=CC=CC=C3)C=2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40B30>,2.7444000000000006,0.8404632782804694,1.936948156134143,2.2653682352682036
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][C][=C][Ring2][Ring1][=Branch1],CC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=CC=CC=C3Cl)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40BA0>,3.0535000000000014,0.7671057630739625,1.831206181231586,2.0043226341382265
[C][C][Branch1][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][Ring1][O],CC(C)CCC(C(C)C)NC(=O)N1CCC(C(=O)N(C)C)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40C10>,2.498500000000001,0.8151447301162561,3.724039316078737,0.35168433450254355
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=C][C][Branch1][#C][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=N][C][=N][Ring1][S][N][=Ring2][Ring1][=Branch1],CC=1C=C(C)N(C2=CC(NCC3=CC(F)=CC=C3F)=NC=N2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40C80>,3.1694400000000007,0.8032746327512172,2.367937169423538,1.648435994332548
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring2][C][C][C][C][Ring1][=Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O],CCS(=O)(=O)N1CC2C1CCCC23CCN(C(C)C)C3=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40CF0>,1.4475,0.7920160796618926,4.536833804850165,-0.5767534065407021
[O][=C][Branch2][Ring1][N][N][C][C][C][N][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Ring1][=C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCCC1NN=C(C(=O)N2CCCC2)C=CC1=O)CC=CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40D60>,0.7004999999999988,0.6653233519607662,3.8656537653841916,-0.5390370055803606
[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][N][=N][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][N][Ring1][#Branch1],CC=1OC=CC=1C(=O)CNC2=NC(N)=NC3=C(N)C=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40DD0>,1.9904199999999999,0.49714912904105324,2.6728729849783193,-0.18712733977305307
[C][C][O][C][Branch1][Ring1][C][O][=C][S][C][=Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2],CCOC(CO)=CSCC(=O)N1CCC2(CCCCC2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40E40>,2.7726000000000015,0.7661618196002474,3.6079151528899898,0.2228939451112475
[C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CC(CC(=O)NC1=CC=C(C2=C[NH1]N=C2)C=C1)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40EB0>,4.348100000000002,0.7332419745136557,2.5210997545080396,1.1451101180602388
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][NH1][=C][Ring2][Ring1][Ring1],COC1=CC=CC(CN2CCC3=CC=C(Cl)C=C3C2[NH1])=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40F20>,3.6884000000000023,0.8666588689377379,2.8715951528899897,1.4616991917987
[C][N][N][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][S][C],CN1N=CC(NC(=O)CC2=CC=C(Br)C=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE40F90>,2.672220000000001,0.9474038442799753,1.9526354259919128,2.7843837954079635
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2],COC(=O)C(C)N1C=CN=C1C2=CC=C(NC(C)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E040>,2.2424999999999997,0.8752240227866647,2.5879392642958248,1.7881808496374987
[C][C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][=O][N][N][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][=Ring2][Ring1][Branch2],CC=1C=C(N2CC(C(=O)NC(C)(C)C)CC2=O)N3N=C(C)C(Cl)=C3N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E0B0>,2.2671400000000004,0.887150414062172,3.235481976441581,1.2002700938692792
[C][C][O][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][=N][Ring1][=N],CCOC(=O)CCNC1=CC(N2CCC(C)CC2)=NC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E120>,2.078,0.8097094897887235,2.2792913127398613,1.7692561362037562
[O][=C][Branch1][#C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(CNC1=CC=C(Cl)C=C1Cl)NC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E190>,4.183100000000001,0.8887163522113034,1.6619874986881413,2.781594262368376
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][O][C][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][P],CS(=O)(=O)C1=CC=CC(OCCN2CC(C)OC(C)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E200>,1.5781,0.825891359231947,2.8381844558795546,1.2912723402801802
[C][O][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O],COCCNC(=O)CCNC(=O)C1=CC=C(Cl)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E270>,0.9281000000000001,0.6537244725211189,1.910139571615213,1.3584827909903812
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],CC(C)NC(=O)CCCNC(=O)C1=C(O)C=CC2=CC=CC=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E2E0>,2.58,0.7171195503209588,1.9846520325892207,1.6009457190155731
[C][C][C][N][S][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Branch1][C][N][N][=C][Ring1][#C][Ring2][Ring1][C],CCCNS1C=NC2=NC(NC3=CC=CC(C)=N3)=C(N)N=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E350>,2.4539199999999997,0.6319829907579229,4.398839614919302,-1.2389246611296878
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][Ring2],CCOC1=CC=C(C(=O)NC2=CC=C(C(F)(F)F)C=C2O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E3C0>,4.062000000000002,0.8334845493233065,1.8315155971496573,2.335907149466875
[C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][O][C][Branch1][C][F][F],COC1=CC(C(=O)NC2=CC=CC=C2C)=CC=C1OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E430>,3.8573200000000023,0.9122281553652298,1.7021896875776772,2.858951089248472
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1],COC(=O)C1=CC=C(C(=O)NCCNC(=O)C=2C=C(C)N(C)N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E4A0>,0.6749199999999995,0.5923976737537373,2.0295408682836644,0.9324475004850221
[C][C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=N][Ring1][N],CCC=1N=NSC=1C(=O)OCC2=CC(=O)N3C=C(C)C=CC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E510>,1.77382,0.677741227194862,2.606278471198687,0.7824276647756232
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][O][C][=C][NH1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Ring1][#Branch1],O=C(N1C=CC=C(N2C=N[NH1]C2)C1C3)C[NH1]C4=CC=CC(F)=C34,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E580>,1.2080999999999995,0.8180487590349407,4.34764766593682,-0.2574038707621167
[O][=C][Branch2][Ring1][Ring2][C][C][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(CCC1=NC(C2=CN=CC=N2)=NO1)NC3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E5F0>,2.237,0.7760640613907112,2.1583204847993223,1.7219998221542334
[C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][S][C][C][O],C1C(CNC(=O)C2CCCC2)CCC(=O)N1CCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E660>,0.5237,0.7636672883917581,2.696203296495158,1.122133145463633
[C][C][Branch1][C][C][C][C][Branch1][P][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][C][O][Ring1][S],CC(C1)CC(C(=O)C2=C[NH1]C(=O)[NH1]C2=O)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E6D0>,0.3085999999999999,0.7407725095366169,3.536795009449909,0.16706753823317566
[C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N],CC=1N=CSC=1C(=O)N2CCC(C(=O)OC(C)(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E740>,2.6454200000000005,0.787982876543009,2.337252527314762,1.6026618554002834
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2],CC=1C=COC=1C(=O)NCC2=CN=C(CC(C)C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E7B0>,3.173020000000002,0.9135849750137547,2.5741299304621084,1.9937949446066652
[C][C][=C][C][=C][Branch2][Ring1][Ring1][N][Branch1][C][C][C][C][=C][N][N][=C][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][Branch1][C][C][=C][Ring2][Ring1][Ring1],CC1=CC=C(N(C)C=2C=CN3N=CC=C3C=2N)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E820>,3.301240000000001,0.7737989091221679,2.7454564547320963,1.1235380908787431
[C][O][C][=C][C][Branch2][Ring1][C][C][N][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1],C1OC=C2C1(CNCC=N[NH1]C(=O)C3=CC=CC=C3)CC(OC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E890>,1.8262999999999998,0.4552116632131894,3.843777193590695,-1.5677188775247477
[C][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][C][=N][N][Ring2][Ring1][=Branch1][C],COC1=C2C(C(=O)NC3=CC=CC=C3OC(C)C)=CC=C1C(C)=NN2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E900>,3.9085000000000027,0.8851672148723649,3.278874303690886,1.1469617706709387
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][P],CCCS(=O)(=O)C1=CC=C(O)C(NCC(=O)N2CCCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E970>,2.0003,0.7736227104868983,2.235639532589218,1.6324740198452736
[C][C][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring2][Ring1][P],CCNC1=CC=C(NC(=O)C2=CC(S(C)(=O)=O)=CC=C2CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3E9E0>,2.1633000000000004,0.8358637850063806,2.953051860885921,1.2262670641459819
[C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Ring1][N][=O][C][C][C][C][C][Ring1][Branch1],CCN(C(=O)C1(C)OC2=CC=C(Cl)C=C2NC1=O)C3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EA50>,3.2207000000000017,0.8621031800791319,3.0430481323547314,1.2674677680409276
[O][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][N][C][C][C][N][N][=N][C][Branch1][=Branch2][C][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][C][Ring1][#C],O=C(C1=NC=CS1)NC2CCN3N=NC(COCC4CC4)=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EAC0>,1.4059999999999997,0.8641064698693748,3.5955865867175323,0.7249457626293418
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1],COC(=O)C1=CC=C(NC(=O)C(C)SC2=CC(C)=NN2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EB30>,2.6344200000000004,0.6724907263289548,2.586119766970116,0.7763338646746583
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2],COC1=CC=CC(CC(=O)NCC(=O)N2CCCC(C)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EBA0>,1.6123999999999996,0.8989377898960074,2.340966378478324,2.1537225710017127
[C][O][C][=C][C][=C][Branch1][=C][C][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][P],COC1=CC=C(CCNCC2=CC=NC=C2Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EC10>,3.0759000000000016,0.8235881055796915,1.8369980344336074,2.28094249346485
[C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(C)(CNC(=O)C1(C2=CC=C(F)C=C2)CC1)C3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EC80>,3.346300000000002,0.9197611010481471,2.3579378498969117,2.2408676553438243
[C][C][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CC=1N=C(CC(C)C)SC=1C(=O)NCC=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3ECF0>,2.3135200000000005,0.9196943440328335,2.400084466720111,2.1983872534440563
[C][C][Branch1][P][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],CC(OC(=O)CNC(=O)C1CC1)C2=CC=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3ED60>,2.0952,0.8418783172594827,2.5519393791313085,1.6574522071661049
[C][=C][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],C=CCNC(=O)CC(C#N)C1=CC=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EDD0>,2.6394800000000007,0.8147860489473897,2.9372593417942845,1.1366709029426643
[C][C][Branch2][Ring1][Ring1][C][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][C][Ring1][O][=O][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=C],CC(C1NN=C(C2=C3C=CS2)OC1=O)CN(CCO)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EE40>,0.41119999999999984,0.7742585484468989,5.166356319805978,-1.295063577571483
[N][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][P],N#CC1=CC=C(F)C(C(=O)NC2=CC=CC(F)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EEB0>,3.0887800000000007,0.8994157652085315,1.7933557650049252,2.7037230610377323
[C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F],CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(F)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EF20>,2.0519,0.8863531947231408,2.2581680842778074,2.1735978893378967
[C][C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][=Branch1],CCC1=CC=CC(OC(C)C(=O)NC2=CN(C)C(=O)C=C2CC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3EF90>,2.916100000000001,0.8867672183492549,2.733659651133152,1.700176440613122
[C][C][Branch1][C][C][C][C][=N][N][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][O][Ring1][P],CC(C)CC1=NN=C(NCC2=CC=CC3=CC=CN=C23)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D040>,3.4284000000000017,0.7763824617786185,2.419183090797869,1.4627292180952232
[O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],O=C(CN1C(=O)OC2=CC=CC=C21)OCC3=NC4=CC=CC=C4S3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D0B0>,2.9476000000000013,0.5340481297981409,2.220382913880128,0.4498577351105766
[C][O][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][N][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][S],COC(C)(C1)C=NOC(CNC(C)(C#N)C(C)(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D120>,1.7239799999999996,0.8501300732940745,5.161759158239853,-0.9111087917694807
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2],CC(C)C1=NOC(CCNC(=O)N2CCC3(CCCCC3)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D190>,3.101300000000002,0.9250816813339873,3.0705092774596254,1.5548991292103107
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][S][N][Ring2][Ring1][=Branch2],CCC1=C(C)N(CC(=O)NC2CN(CCC(O)C3=CC=CC(F)=C3)CC2)N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D200>,2.1403199999999996,0.660913510375662,3.458799116146219,-0.15423156426790863
[C][C][=N][NH1][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][N][C][=C][Ring2][Ring1][Ring2],CC1=N[NH1]C=NC=C(C(=O)NC2=CC=C(Cl)C(C)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D270>,3.451640000000002,0.8922735060156946,2.7449670303345783,1.7164004997438944
[C][O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][=C][S][C][Branch1][Ring1][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring2],COC=C1C=C(OCC)C(NC(=O)NCC2=CSC(CC)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D2E0>,2.852900000000001,0.751684749828182,3.2058488853998686,0.5525748637410413
[C][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],CC(OC1=CC=C(C#N)C=C1)C(=O)NCC2=NC3=CC=CC=C3S2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D350>,3.2516800000000012,0.7752974307464797,2.521284369892655,1.3552027838397436
[C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],CNC(=O)CC1=CC=C(NS(=O)(=O)C2=CC=C(NC(C)=O)C=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D3C0>,1.5818199999999996,0.7135944715620397,2.870788792737729,0.6971835650724696
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C],CCCNC(=O)C1=CC=CC(NC(=O)COC2=CC=CC=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D430>,3.1523200000000022,0.8211404532162776,1.661851582270561,2.443850683810827
[C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2],CN1N=C(C2=CC=CC=C2)C=C1NC(=O)NCC3(C4=CC=CC=C4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D4A0>,3.940400000000002,0.7350163052146914,2.212599335617506,1.462482190455951
[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1],CC1=CC=C(C(C)C)C(OCC(=O)N2CCSC3=CC=NC=C32)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D510>,4.031120000000003,0.841157077758154,2.5331472836280255,1.6726381051627444
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N][=O],CCN(CC)C(=O)CNC(=O)CCSC1=CC=C(Cl)C=C1C=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D580>,2.619300000000001,0.5452960903390747,2.450407904841965,0.276072546853408
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=N][C][=N][C][Branch1][=C][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring1][#C][N],COC1=CC=C(C)C=C1NC2=NC=NC(NC3=CC=CC(C#N)=C3)=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D5F0>,3.734700000000001,0.6454657132767095,2.2404642087983806,0.986864357585167
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][N],CN(C)C(=O)CC=CC1=NC(C2=CC=C(Br)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D660>,2.9906000000000015,0.8612263484013424,2.5751314547320963,1.7310002872746155
[C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][=N][C][=N][Ring1][S][C][Ring2][Ring1][#Branch1],CCOC(=O)CCCCN(C1=CC(NC(=O)C2=NC=CN=C2N)=NC=N1)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D6D0>,1.2706999999999997,0.49152855206408613,2.6166466096113012,-0.15900384929087075
[C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][S],CN1N=NN=C1C2=CC=CC(C(=O)NC3=CC=CC(O)=C3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D740>,1.8349999999999997,0.7686947101460065,2.0233980824614832,1.8200754682685494
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],CC1=NN(C)C(C)=C1CCC(=O)NCC2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D7B0>,2.0571399999999995,0.9117576854415578,2.179357690867846,2.379430736339943
[C][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][S][Ring2][Ring1][Ring1],CC(C)(C)C1=NN=C(NC(=O)C2=CSC(C3=CC=CC=C3)=N2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D820>,4.211400000000003,0.7725765264412428,2.240710187175017,1.6221724450311967
[C][C][C][C][C][Branch2][Ring1][N][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S][Ring1][P][C][C][Ring2][Ring1][=Branch1],C1CCC2C(N(CC(=O)N(C)C)C3=CC(N)=CC=C3S2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D890>,2.9704000000000006,0.8515604473738662,3.476298692505793,0.7815035443635381
[C][=C][C][C][C][N][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1][=N][C][Ring2][Ring1][Ring1][=O],C=CCCCN1C=CC(NC(=O)N(CC2=CC=CS2)C3CC3)=NC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D900>,3.467500000000002,0.5802950661724183,2.737987314183144,0.16348801667894763
[C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][O][Ring1][#Branch2],COC(=O)C1CC(O)CN1C2C=NC(CC3CC3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D970>,0.1353000000000002,0.7407828265762151,4.549243365801583,-0.8453292329205082
[C][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][=C][Ring1][P],CC1=CC=CC(C(=O)OCC(=O)C2=CC=C[NH1]2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3D9E0>,2.36282,0.662066364795663,2.016651625086938,1.2936801988913773
[C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C],CC1=CC(C(=O)NC2=CC=CC=C2Cl)=NC=C1C(=O)NC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DA50>,3.8240200000000026,0.8877744236250652,2.1041277152326217,2.3347444028927047
[C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CN(C(=O)C1=CC=C(F)N=C1)C2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DAC0>,2.636400000000001,0.7653166922732193,2.1032261952226854,1.7233572661434113
[N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][O][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O],NC(=O)C1OC=CC=CN2C(C3=CC=CC=C3)=CC=C2N(C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DB30>,1.9864000000000002,0.8586048787530451,4.197990077050455,0.09503431671477092
[C][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C],CC1=CN=CN=C1NCCC(CNC(=O)NC2=CN=CC=C2C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DBA0>,2.748240000000001,0.7266830571445017,2.9715804450451238,0.6618348406773844
[C][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Ring2][Ring1][=Branch1],CC=C1N=C(NC(=O)N(C)C(C)C2=CC=CC=C2COC)CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DC10>,3.7976000000000028,0.9143355463765088,3.7019951171596652,0.8696826147228789
[C][O][C][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1],COCCOC1=CC(C)=CC=C1NC(=O)N2CCCC(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DC80>,3.2840200000000017,0.849353950261114,2.4493236985775795,1.7974460527279907
[C][C][N][C][C][C][Branch2][Ring1][Ring1][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][Ring1][#C][=O],CCN1CCC2(CCN(C(=O)N(C)C)CC2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DCF0>,1.0023999999999997,0.6995903090398476,3.036230898795104,0.46172064640413435
[C][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1][O][N][=Ring2][Ring1][Ring2],CCC=1C=C(C(=O)NCC2=CC=CC=C2N3C=NN=N3)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DD60>,1.1426999999999996,0.7581195733040952,2.4410815302636806,1.3495163362567952
[O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][P],O=C(C1CC1)N2CCOCC(CCOC3=CC=C(F)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DDD0>,2.4796000000000005,0.8386907253566048,2.556085768765456,1.6373678580175683
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=Branch2][=C][Ring1][=N],CC(C)CCNC(=O)C1=CC=C2[NH1]C(C(F)(F)F)=NC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DE40>,3.3576000000000015,0.9092020285499721,2.2651140657763005,2.2808960769735602
[O][=C][Branch1][S][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(NCCC(=O)N1CCCCC1)NCCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DEB0>,1.3258999999999994,0.8323131579215739,1.9942358571867587,2.1673299324211106
[O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O],O=C(CN1C(=O)OC2=CC=CC=C21)N3CCC4=CC(F)=CC=C4C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DF20>,2.3185000000000002,0.7261038832509643,2.200521767200721,1.4299976490541004
[C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C],COC1=CC(Cl)=C(C)C=C1NC2=C(C)C=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3DF90>,5.017460000000004,0.8493503645368256,1.875403973110318,2.3713478495738096
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=CC(C(=O)NCCC(C)C(=O)N2CCCC2)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B040>,2.0821999999999994,0.8288936343045726,2.521848159639573,1.6226200118832903
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],COC1=CC=C(C)C=C1C(N)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B0B0>,3.3299200000000013,0.9214720171657771,2.3807502392959456,2.2266098465329396
[C][C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=Ring2][Ring1][Branch1],CC=1C=CC(=O)N(C(C)C(=O)NC2=NC3=CC=CC=C3[NH1]2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B120>,1.6277199999999996,0.7681092667810532,2.716621465326959,1.1239248685783068
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][#Branch1][C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1],CCN(CC)C(=O)N1CC2CCCC(C1)C2CC3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B190>,3.434000000000002,0.8532292270562425,4.002395834994718,0.26375030028649515
[C][C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2],CCN(CCC#N)C(=O)C1=CC=C(C(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B200>,3.359880000000002,0.8308246902153886,2.0302779028005347,2.1238455482764085
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][C][N][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][=C][Ring2][Ring1][C],CC(C)(C)C(=O)NC1CC=C(C2NC(=O)NC=O)C=CC=C(F)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B270>,2.0211999999999994,0.6827451384080409,5.1779732175722675,-1.7642475255320633
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][S][C][Branch1][C][N][=O],CC(NC(=O)CN(CC1=CC=CN=C1)CCCCCC)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B2E0>,1.4538999999999993,0.6041207436954081,2.630949815047039,0.38965390343000195
[C][C][C][Branch1][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2],CCC(C)CC(C)NC(=O)CNC1=C(C)C=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B350>,3.3478200000000022,0.7909350377105503,2.668431923432216,1.2862432651205356
[C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(C(=O)CC1=CC=C(N)C=C1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B3C0>,2.8644000000000016,0.8527129513261611,1.7910899691655437,2.472474787465262
[C][C][=N][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring1][P][Cl],CC1=NN(CC(=O)NC2CCCCC2C)C(C)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B430>,2.8482400000000005,0.9271400243567103,2.893304112781328,1.7423960090022232
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O][C][=N][Ring2][Ring1][Ring2],COC1=CC=C(NC(=O)C2=CC=CC(N3C=CC=C3)=C2C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B4A0>,3.374720000000001,0.7749444489820645,2.7053826978460975,1.169339547064225
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][=N][N][=Ring1][Branch1][C][C][Ring1][=N],COC1=CC=C2C(=C1)OCC3C2CCN(C(=O)C=4OC=NN=4)C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B510>,1.7164999999999997,0.8394722625889492,3.50569227950875,0.6916690334359963
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][C][C][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][=C][S][Ring2][Ring1][Ring2],CC1=NC(C)=C(C=2C=C(C)N(CC3=CC=C(Cl)C=C3)N=2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B580>,4.633560000000003,0.7046061202664234,2.203789643900228,1.3192409574318895
[C][O][C][C][S][C][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][C][N][C][=C][Ring1][O][Ring1][Branch2],COCCSC=NC=NC1=C(Cl)C=C(N)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B5F0>,2.9899000000000004,0.37445237046694274,3.676733889532864,-1.8044720371981502
[C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][C][O][Ring1][N],CCCC(=O)C1=CC2=CC(=C1)N(COC)C(=O)CO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B660>,1.9986999999999997,0.762357576358005,3.61951262567627,0.19227525611375507
[C][S][C][N][=C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C],C=1SC=2N=CN(CC(=O)NC3=CC=CC=C3)C(=O)C=2C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B6D0>,2.40512,0.8074594958615963,2.0572590050475537,1.9800384742604278
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2],O=C(NC1=CC=CC(OC(F)F)=C1)N2CCN(CCO)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B740>,1.4297999999999997,0.8626342170880755,2.041923853464672,2.271247231975706
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Branch1][C][=C][N][=C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O][S][Ring1][P][O],C1C=NC(C)=C1C2=CN=CC(OC(C)(C)C)=C2S,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B7B0>,3.753100000000003,0.8236020230343992,3.5826970586449756,0.5353130565270208
[C][C][N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=N][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],CCN1C(CNC(=O)C2=CC=NO2)=NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B820>,1.9742,0.7863260187274017,2.25077123305722,1.6808588605797885
[O][=C][Branch2][Ring1][Ring1][C][C][C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][C][C][C][Ring1][#Branch1],O=C(CCC(O)C1=CC(F)=CC=C1F)N2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B890>,3.181000000000002,0.9269788085681706,2.508667160712676,2.1262268821281767
[C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][=N][Ring2][Ring1][C],CC1=CC=CC(CNC(=O)C2=CC(F)=CC=C2Br)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B900>,3.2216200000000015,0.9422723801289082,1.9500367519425126,2.7613251487020287
[C][C][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring1][C],CC1=NN(CC(=O)NC2=NC=CC=N2)C(=O)C(C#N)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B970>,0.16051999999999933,0.8584145355732149,2.389978898946758,1.9020937789193164
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][N][C][=C][Branch1][C][F][C][=N][Ring1][=Branch1][O][Ring1][N],CCC1=CC=CC=C1NC(=O)C2=CC=C(CN3C=C(F)C=N3)O2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3B9E0>,3.478200000000002,0.7842586545220602,2.3114215911556517,1.6098716814546492
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=N][C][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][=C],CC(C)NC(=O)NCC1=CC=CC(CNC=2C=NN(C)C=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BA50>,2.2398,0.7660641329194184,2.14675040433316,1.6835702602639326
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC(C)NC(=O)CCCOC1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BAC0>,3.023600000000002,0.7938649418722062,1.61018474878,2.359139960581031
[C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][Ring1][N],CCC(=O)NC1=NN=C(C2=CC=CC(C)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BB30>,2.862020000000001,0.9069454629532259,1.9528329279944039,2.581894386771726
[C][C][=N][NH1][C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][=Branch2],CC1=N[NH1]C(C2=CC=C(NC(=O)CN(C)C(=O)C3CCCCC3)C=C2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BBA0>,2.6156000000000006,0.8475028254243485,3.1622741404246,1.0752399866971425
[C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][O][Ring1][P],CC(=O)OC1=CC=CC=C1N(CC(=O)NC(C)C)CCO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BC10>,0.9351999999999996,0.5776944970500753,2.271497871444316,0.6169746138060601
[C][=C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][C][C],C=CCNC(=O)C1=CC(Cl)=CC2=C1NC(=O)C2(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BC80>,2.4855,0.8347686367088737,2.7449620656964626,1.4288811178479062
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][C][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][=C][Ring1][P],CC(=O)NC1=CC=CC(CC2=NC3=CC=C(C)C=C3[NH1]2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BCF0>,3.4205200000000016,0.7714598446508514,1.9598813127398618,1.8974179105143953
[C][C][=C][C][=C][Branch1][S][O][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][C],CC1=CC=C(OCCCN2N=C(C)C=C2C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BD60>,3.585880000000002,0.7663525416948929,1.9278907432342418,1.9038719652402225
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][N][C][Branch1][C][C][=N][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C],CC1=CC=C(OCCN2C(C)=NC3=CC(C)=NN3C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BDD0>,3.2103600000000014,0.8701889449128931,3.003581669841844,1.3473630547226216
[C][C][O][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2],CCOC1COCC1NC(=O)CC2=CC=C(F)C(Br)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BE40>,2.0507999999999997,0.8878819068854417,3.2136614337944875,1.225748100632721
[C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][=C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C][C][N][C][C][Ring1][=Branch1],CCOC(=O)C1=NN(CC2=CC(F)=CC=C2F)C3=C1CNCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BEB0>,2.032,0.8756873467468423,2.542558471198685,1.8358782625355268
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CC1=NN(C)C(C)=C1CNC(=O)C2=C[NH1]N=C2C3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BF20>,3.010440000000001,0.7642060474607699,2.59811546759507,1.2229147697087797
[C][O][C][=C][C][=C][Branch1][S][O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(OCCNCC2=CC=CC=C2C#N)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3BF90>,2.744080000000001,0.7593968577113975,1.932597115631177,1.8643871729258108
[C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],CNC(=O)COC(=O)C1CC=CCC1C2=CC=C(O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C040>,1.7311999999999996,0.6536053438627877,3.155387782768912,0.11263893654502644
[N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][=C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring1][N][=C][Ring2][Ring1][Ring2],NC(=O)C1=CC=CC(CNC=2C=CN(C3=NC=CC=C3Cl)N=2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C0B0>,2.6317000000000013,0.7539552602425004,2.282063549197609,1.4877127520148927
[C][C][C][=N][O][C][Branch2][Ring1][#Branch2][C][O][C][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2],CCC1=NOC(COCC2CCC3C2OCCN3CC4=CC=CC=C4)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C120>,2.8282000000000007,0.759348954982663,3.612112354579102,0.1846324203342129
[C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1],CN1C(=O)SC2=CC(S(=O)(=O)NC3=CC=CC(C)=N3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C190>,2.1042199999999998,0.7946509108167997,2.3643581617264786,1.60889639235752
[C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][O][Ring1][S],CCCN(C(=O)C1=C(Cl)C=CC=C1)Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C200>,3.346000000000002,0.7315337983907044,2.32730892577311,1.330360066180412
[C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],C1=CC=CC(C2=N[NH1]C=C2C3=CC=CN=C3NCCC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C270>,3.9606000000000012,0.7424009434739838,2.488219054675344,1.2237856626945747
[C][O][C][C][N][C][=N][C][=N][C][Branch1][#Branch2][O][C][C][=C][O][C][=Ring1][Branch1][C][S][Ring1][N],COCCNC=NC=NC(OC=1C=COC=1C)S,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C2E0>,1.4728199999999994,0.24693278259359605,4.566508542160143,-3.331844629192163
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1],CC(=O)NC1=CC=C(NC(=O)C2=CC=C(CN3C=CN=C3)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C350>,3.142100000000002,0.752439558468953,1.8430896977151043,1.919108094629661
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][C][F][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][Ring1][N],N#CC1=CC=CC=C1C2NCCC3=C(F)C=C(O)C=C32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C3C0>,2.6380800000000004,0.8356033909972473,3.128658542424157,1.0493584125620803
[C][C][=C][C][=C][N][=C][Branch1][O][N][C][C][C][C][O][C][C][Ring1][=Branch1][S][C][Ring1][=N][=C][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1],C1C=C2C=C3N=C(NCC4CCOCC4)SC3=CC(=O)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C430>,1.4596999999999998,0.9317820328629193,3.2619837122163426,1.3969264520982536
[C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O],CC(NC1=CC=C(F)C=C1)C2=CC=CC(N3C=NN=N3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C4A0>,2.9745,0.7994600176591686,2.522369389964389,1.474930698331454
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][S][C][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][N][=Ring1][Branch2][C][Ring1][#C],CC1=NN(C)C=C1C(=O)N2CCCC(CC=3C=C(C4CC4)ON=3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C510>,2.6888200000000007,0.8654335996356846,3.158422074004399,1.168745924174024
[C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(NC(=O)C1=CC=CS1)C(=O)NCC(C)(O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C580>,1.8903,0.7557647339399911,2.8794653564318278,0.8993583132681278
[O][=C][Branch1][P][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(CN1N=CC2=CC=CC=C2C1=O)C3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C5F0>,2.932800000000001,0.6986306471112161,1.8647351588937067,1.6284180766623741
[C][O][C][=C][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=N][Ring1][P],COC1=CC=NC(NC2=CC=C(NC(C)=O)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C660>,2.1872,0.8786818296076606,1.8913694563450303,2.5020396916932732
[N][C][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][=C][Ring1][=C][N][C][C][C][C][C][C][Ring1][#Branch1],NC1=C(NCC2=CC=CC=C2)N=CN=C1N3CCCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C6D0>,3.0513000000000012,0.9076137334918322,2.0065998068909003,2.5314688605682605
[C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC(NC(=O)CCN1CCCC1=O)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C740>,2.5297,0.9070527602868568,2.3570416685085984,2.1782221329256855
[C][C][N][N][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1],CCN1N=CC(C(=O)N(C)C2CC(C)=NO2)C3=CC=CC=C13,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C7B0>,2.1765999999999996,0.8594068500226616,4.387945094490904,-0.09091084437759633
[C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][P],COC1=CC=C(CCC(=O)NCCS(N)(=O)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C820>,0.03250000000000075,0.7386008336102805,1.8486409553588352,1.844363212692567
[C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Ring2],CCC1CCN(C(=O)C2=CC=C(C)S2)C3=C(N)C=CC=C3O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C890>,3.8466200000000024,0.8563100215655376,3.1475450385279524,1.1340050692997359
[C][O][C][C][Branch1][C][O][C][N][C][C][O][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C],COCC(O)CN1CCOC(CNC2=CC=C(F)C=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C900>,0.9456999999999998,0.7847070484290785,2.919356896197856,1.0041783459475364
[C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][Ring1][O][C][C][C][Ring1][Ring1],CC(C)N(C)C(=O)C1OC2=CC=C(Cl)C=C2NC1C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C970>,3.1583000000000014,0.9323538002069155,3.557436612797047,1.1043323882375304
[C][C][=C][C][=C][Branch2][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P][N][=N][Ring2][Ring1][Branch2],C1C=CC=C1OC=CC=C(NC(=O)NCC=2N=CN(C)N=2)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3C9E0>,2.0583,0.5962027597318558,4.111165647099708,-1.1301518484404287
[O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][S][O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P],O=C1CCC2N1C=CC=C(OCC3=C(F)C=CC=C3F)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CA50>,3.2737000000000025,0.8550863560899867,3.46163515288999,0.8137966275599435
[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O],ClC1=CC=CC=C1SCC2=CC(=O)N3C=CC=CC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CAC0>,3.640200000000002,0.6927937864012682,2.1522486866381207,1.3117202453682202
[C][C][=N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][Cl],CC1=NC(=O)C(CCC2=CC=CC=C2N3CCCC3)C(C)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CB30>,4.349500000000004,0.8218064031736017,3.217112193005618,0.8919198228623904
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][S][C][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC=C(SCC2=CC=C(C(=O)N(C)C)C=C2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CBA0>,3.6979000000000024,0.7567422693884504,1.8577931383584492,1.9259182085838025
[C][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Ring1][#C][N][C][=C][Ring2][Ring1][=Branch2],C1C=CC=C(NC(=O)CCN(CC2CC2)C(=O)C=CC(C)=C)NC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CC10>,2.768200000000001,0.5270726744400026,3.4967145328799383,-0.8613511606799253
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring1][N],CCCCS(=O)(=O)N1CCC(N2CCCC2=O)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CC80>,1.2031,0.763666878468076,2.3147888564417887,1.5035455358985912
[C][C][C][Branch1][C][C][N][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][C],C1CC(C)NN=CC1(C(=O)NCCC=C2C=C(NC(C)=O)C=C2C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CCF0>,2.1630000000000003,0.66851941258035,4.690421802912229,-1.3478247400104788
[O][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2],O=C(CCNC(=O)C=1C=CN(C)C=1)NC2CC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CD60>,1.4285999999999996,0.8772380323632428,2.300609003743064,2.0855811580731496
[C][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][Ring1][P],CN1C(C(=O)N2CCOCC2)=CC=3SC=C(C)C=31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CDD0>,2.02062,0.7895042037917092,2.519419045901417,1.428101973057129
[C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][C][C][Ring1][Branch1],CC=1N=CSC=1C(=O)N(CCO)C2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CE40>,1.8286200000000001,0.8915247179135355,2.4833021587636335,1.9743214308040438
[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2],COC(=O)CC1CCCCN1C(=O)C2=CC=C(C)C(O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CEB0>,2.25842,0.8674462377487127,2.5453575666830943,1.7918736220604687
[C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2],CCN(CC1=CC=CS1)C(=O)NC2=NN=C(CC(C)C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CF20>,3.8521000000000027,0.877720343835349,2.4417909476811914,1.9468107714955538
[O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O],O=C(CC1=CC=C2C=CC=CC2=C1)NC3=NN=C(C4=CC=NC=C4)O3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3CF90>,3.466000000000001,0.6195148454974363,2.10913564366105,0.9884385838261314
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][Ring1],COC1=CC=CC(CN2CCN(C3=NC=CC=N3)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A040>,1.8074,0.8562303911961485,1.8373939926406084,2.4437579633401345
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][N][O][C][=C][Ring2][Ring1][Ring2],COC=CC=CC(N1C=C(C2=CC=CC=C2)C(=O)[NH1]1)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A0B0>,3.2868000000000013,0.501863556435682,3.894876691351529,-1.3855589091731186
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][Branch1],CC(=O)C1=CC=C(NC(=O)C=2C=C(C)N(CC3=CC=CO3)C=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A120>,3.8927200000000024,0.7247495475508572,2.2370085958452215,1.3867391419090644
[C][C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1],CC(NC1=CC=C2C(=C1)CCC2)C(=O)N(C)CC3=CC=CC=C3C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A190>,3.942720000000003,0.9040113724768958,2.5517039744568883,1.9683528879275904
[C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],CC=1N=NSC=1C(=O)NCC(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A200>,1.2150199999999998,0.8789429540290296,1.962128430704004,2.432586339441144
[O][=C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][C][Ring1][Branch2][=C][Ring1][N],O=C(NCC(F)(F)F)C1=CC=C2N=C(C3CC3)SC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A270>,3.4658000000000024,0.9428358333388611,2.222229361825004,2.491949804869302
[O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][N][=C][O][Ring1][Branch1][C][=C][Ring1][O],O=C(NCC1=CC=CN=C1)C2=CC=C(C3=CN=CO3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A2E0>,2.6666000000000007,0.7968734752808944,2.0103748859408537,1.9739924904636181
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring1],CC1=CC=C(F)C(NC(=O)NC2=CC=C(F)C=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A350>,4.056320000000001,0.8554794249127818,1.7456346765103188,2.5317624480535903
[C][O][C][C][C][C][=C][Branch1][#Branch1][C][=N][N][Ring1][Branch1][C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=N][Ring1][S],COC1CCC2=C(C=NN2C)CCON=C(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A3C0>,1.7063999999999997,0.7630843282909849,4.143674961495791,-0.3282533200408668
[C][C][=C][C][=C][Branch2][Ring1][N][N][N][=N][N][=C][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1],CC1=CC=C(N2N=NN=C2NCC3=CC=C(S(C)(=O)=O)C=C3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A430>,1.9863199999999999,0.7618210462297147,2.112552034759249,1.6965531963893246
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CCOC(=O)C1=C(C)N=C(C)C1S(=O)(=O)NCC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A4A0>,1.9252999999999998,0.7912109594355484,3.0715616737259444,0.8844931234517976
[C][C][=C][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F],CC1=C2C=C(O1)CC(C)(C)CN2C(=O)OCC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A510>,3.675620000000003,0.7924242680063792,4.117160899894425,-0.1550395598625287
[C][C][=Branch1][C][=O][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][S][Ring1][=N][C][C][C][Ring1][Ring1],CC(=O)N(C(=O)CNC1=C(F)C(F)=CC(F)=C1SC2C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A580>,2.3851000000000004,0.7463552688306831,4.093743718314842,-0.3619673741614262
[C][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Ring2],COC=CC=C(OC(C)C)C(NC(=O)C1=C(F)C=CC=C1)Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A5F0>,3.589400000000002,0.3601768265905224,3.5053571973368864,-1.7044730643842745
[O][=C][Branch1][P][C][S][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][=N][C][=C][S][Ring1][Branch1],O=C(CSC1=CC=CC2=CC=CN=C12)NC3=NC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A660>,3.4221000000000013,0.7502001324274151,2.159295456408387,1.591705205728689
[C][C][C][Branch2][Ring1][O][N][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring1][P][C][=Branch1][C][=O][O][C],C1CC1(NC=CC(C)=NC(CC2=NC3=NC=CC=C3[NH1]2)=N)C(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A6D0>,1.7474699999999999,0.420714376118134,3.664411236176642,-1.5608393555859719
[C][C][C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2],CC1CCC(NC(=O)NC2CCN(CC(F)(F)F)C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A740>,2.4993000000000007,0.841237351305362,3.855206136557345,0.35098061996946495
[C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][C],COC(=O)N1CCC(NC(=O)NC2=CC=C(C)C=C2F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A7B0>,2.4864200000000007,0.8814778143769891,2.004905198296468,2.4024838735884773
[C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=N][N],CCCCNC(=O)C=1C=C(C)N(CC2=CC=CC=C2)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A820>,2.956920000000001,0.8016145410642729,1.9518271927920132,2.056245512529351
[C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][C][Ring1][#Branch1][C][=C][S][Ring1][#C],CCC(=O)NC1=NC(C(=O)N2CC(C)OCC2C)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A890>,1.741,0.9222040053163856,3.1872979522760048,1.423722074305923
[C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],CC(OC1=CC=CC(N)=C1)C(=O)C2=CC=C3C(=C2)OCO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A900>,2.6477000000000004,0.690429156007583,2.5103743836592205,0.9417713963786944
[N][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],NC1=CN=CC=C1NC2=CC=C(C(F)(F)F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A970>,3.4262000000000006,0.8616457567854943,2.040273272145761,2.26795551178171
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][Ring1][Branch1][O][C][C][Ring1][N],O=C(CC1=CC=C(Cl)C=C1)N2CCN(C3CCCC3O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3A9E0>,1.9401,0.9246544116336988,2.745506632952443,1.877765425216051
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],NC(=O)C1=CC=CC=C1NCC(=O)N2CCCC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AA50>,2.1768,0.9086564171932147,1.9954062065402667,2.5478758794258063
[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=C][Ring1][S][Cl],COC1=CC=C(C(=O)CNC2=NC(C)=CS2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AAC0>,3.4083200000000016,0.8591864016738845,2.1499935008539808,2.1459385075154414
[O][=C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][Ring2][Ring1][Ring1],O=CC(=O)N(CC1=CC=C(Cl)C=C1)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AB30>,3.3503000000000016,0.641380473189572,2.221549986479914,0.9853523794679457
[C][C][=N][C][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2][C][C][Ring1][#C][=N][O][Ring2][Ring1][Branch1],CC1=NC(CN2CCN(CC3=CN=C(C(C)C)S3)CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3ABA0>,2.2757199999999997,0.8418807466826927,2.6016750055384072,1.607728727875056
[C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1],CC=1ON=C(C2=CC=CC=C2F)C=1C(=O)NC3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AC10>,3.436420000000002,0.8037940400323658,2.0520156648790646,1.9669545352827642
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Cl][N][=C][Ring1][#C],CCOC(=O)C1=CC=C(NC2=CC(N)=CC=C2Cl)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AC80>,3.2375000000000007,0.667786347028576,2.0277979382485825,1.3111337968942975
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][C][C][O][Ring2][Ring1][C],COC(=O)C1(NC(=O)C2=CC=NC(OC3CCC3)=C2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3ACF0>,1.032299999999999,0.8177417536500152,3.336438281826166,0.7522704864239103
[C][C][C][C][=C][Branch1][Ring1][C][O][N][=N][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCCC1=C(CO)N=NN1C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AD60>,2.365500000000001,0.9077008206898569,2.304989658763633,2.2335144446856514
[C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1],CCN(CC1=CC=CC(F)=C1)S(=O)(=O)CC2CCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3ADD0>,3.5577000000000023,0.8050885863112845,2.2018723036133956,1.8235706279430275
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C],COC1=CC=CC=C1C(=O)NCC(=O)N2CCCCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AE40>,1.826,0.9200195792816482,2.2735571215992465,2.3265407748089943
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][=N][Ring2][Ring1][Ring1],CC1=CC=CC(NC(=O)C2=NC(C=3C=CSC=3)=NO2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AEB0>,2.75382,0.8002983170166162,2.4136163258954166,1.5878752591876646
[O][=C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][P][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][Ring1][S][N][Ring2][Ring1][C][C][C][C][Ring1][Ring1],O=C1C2C(CCN(C3=NC=NC4=C3C=NN4CC2)N1)C5CC5,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AF20>,1.1137,0.8533793924254378,5.9557756914372675,-1.688878729310078
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][N][C][Branch1][C][C][=O][S][Ring1][O],COC1=CC=CC=C1NC(=O)C=CC=C(CNC(C)=O)S,<rdkit.Chem.rdchem.Mol object at 0x000002761EE3AF90>,2.1397,0.4284043665451676,2.651893222554186,-0.5098713898283478
[C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],CN1C(C(=O)NC2=CC=CC=C2)=NC3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39040>,2.8256000000000006,0.7609060621028337,1.7690335589091326,2.035496751605036
[O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C],O=C(NCC1=CC=NC=C1)C2=CC=C(N3C=NC4=CC=CC=C43)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE390B0>,3.350500000000002,0.62482102089065,1.942141672767077,1.1819634316861727
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1],CC(C)C=C1C=C(NC(=O)C2=CC=C(N3C=NN=C3)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39120>,3.0332000000000017,0.9442218381904718,2.9319097030437646,1.7891994879085944
[C][S][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1],C1SC=CC=CC1NC(=O)N(C)CCC2=CC=C(F)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39190>,3.503320000000002,0.920668789835437,3.5500192320763393,1.0533247171008453
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][C][Ring1][=N],CC1=CC=CC=C1CNC(=O)C2CCN(C(=O)NCC(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39200>,2.6888200000000007,0.8712724138942429,1.9536700026122933,2.402692066858921
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][C][Branch1][C][F][=C][Ring1][=Branch1],CC(C)CCCC(C)NC(=O)N(C)CC=NC=CC(F)=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39270>,3.910300000000003,0.5087455132608111,3.967697240802077,-1.423969674498022
[C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1],CC(CC(=O)NC=1SC=CC=1C(N)=O)C2CCC3C(C2)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE392E0>,4.418200000000004,0.8265963099351048,3.6017315430254104,0.5312500066501133
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C],CCCS(=O)(=O)N1CCC(C2=NC3=CC=CC=C3O2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39350>,2.7470000000000008,0.8709671191626875,2.2637513127398616,2.0910842830735756
[C][C][Branch1][C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][#N],CC(C1)NN=C(C2=CC=CC=N2)C(C3=CC=CC=C3)=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE393C0>,3.1448800000000015,0.923080460998723,3.3183958992599614,1.2970064057336534
[C][C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][C][Ring1][=N][C][=N][N][Ring2][Ring1][=Branch1][C],CC1C=C(C(=O)NC2CCC(C(=O)NCC3CC3)CC2C)NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39430>,1.1560000000000001,0.705268341092577,4.1304688939098195,-0.6041271884469346
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][Branch1][C][Cl][=C][Ring1][=N][C],COC(=O)C1=CC2=CC(=O)[NH1]C(=O)N2C(Cl)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE394A0>,0.7362200000000001,0.6108431429075702,2.9276538875303757,0.12656182700747554
[C][C][C][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1],CCCNC(=O)CN1CCN(C(=O)NC(C)C(=O)C2=CC=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39510>,1.1112000000000015,0.7139660842674537,2.472784404429383,1.097046016907885
[C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][=C][C][=N][Ring2][Ring1][=Branch1],COC1=CC(CNC(=O)C2CCN(C3=CN=CC=N3)CC2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39580>,1.413,0.8943175299401002,2.2565035732207868,2.215084076479714
[N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],NC(=O)CCC(=O)NN1C=NC2=CC=CC=C2C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE395F0>,-0.2679000000000007,0.7886118220990527,2.2225969841631237,1.7204621263321398
[C][C][C][=N][O][C][Branch1][S][C][S][C][=N][C][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][S],CCC1=NOC(CSC2=NC=C3C=CC=CN23)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39660>,2.572,0.6747302758942049,2.6224311008830625,0.7512202785879616
[C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C],CCC(C)C(C)NC(=O)C=1SC=CC=1S(=O)(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE396D0>,2.1628,0.8738532933012167,3.1145638640565325,1.2547026024495516
[C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][Ring1][S][Branch1][C][C][O],CC1CN(C(=O)C2=CC=C(C)C(Cl)=C2)CCC1(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39740>,2.8814200000000016,0.8598184215962034,2.956139911597898,1.342952196383119
[C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2],CN(CC1=CC=C2C(=C1)OCCO2)CC3=NC4=C(F)C=CC=C4[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE397B0>,3.105200000000001,0.7998739070716787,2.3410264303636446,1.6583431049947492
[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S],CCC(C)NC(=O)C1=CC=C(NC(=O)NC2=CC=CC=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39820>,3.858900000000002,0.7844466096740756,2.010434796555913,1.9117982518144654
[C][C][=N][C][Branch1][S][N][Branch1][C][C][C][C][C][C][C][C][O][C][C][Ring1][=Branch1][=C][C][Branch1][C][C][=N][O][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1],CC1=NC(N(C)CCCC2CCOCC2)=C3C(C)=NOC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39890>,2.8776400000000013,0.8460438186865546,2.803316763780165,1.4269023296526084
[C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=C][Ring1][O][C][C][Branch1][C][C][C],COC(=O)CN(C(=O)C1=CC=NC(OCC(F)F)=C1)CC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39900>,1.9967,0.6820246330330934,2.5588271178869864,0.8512960472784803
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC(C)=C(C(=O)N(C)CC2=CC=CC=C2F)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39970>,3.4235200000000026,0.8479468191723626,1.8874079048419663,2.3523261910198467
[C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],CCCNC(=O)CCNC(=O)C1=CC=C(Cl)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE399E0>,2.6395,0.8485304725265612,1.7016107778440457,2.5410415847887604
[C][C][C][C][C][Branch2][Ring1][Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Ring1][Branch1],CCC1CC(N(CC2=CC=CN=C2)CC3=CC=C(C)S3)C(=O)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39A50>,3.5478200000000024,0.7598026418561948,3.4916761955926674,0.3073370136883069
[C][O][C][C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1],COCCC1(O)CCN(C(=O)C2=CSC(C3=CC=CO3)=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39AC0>,2.4067,0.9072635228969643,2.649118793952855,1.8871988205319665
[C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][O][Ring1][#Branch2],CCNC(=O)CN1C=CC=C1CC=NC(C=2C=NN(C)C=2)=NO,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39B30>,0.806999999999999,0.3570162986719916,3.3677082936838927,-1.5826268003239348
[C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][N][C],COC1=NC=NC2=C1C=NN2C#CC(C3=CC=CC=C3)=CCC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39BA0>,3.137500000000002,0.6975863530085685,3.1532885674629263,0.33464319757991623
[C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C],CC1(CNC(=O)NCC(C)(C)C2=CC=NC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39C10>,2.458500000000001,0.8551489867240213,2.5821808961872392,1.6935640374328669
[C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2],CC1=CC(NC(=O)NC2CCCC2)=C3C=C(F)C=CC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39C80>,3.7464200000000023,0.8835612378776105,2.0350774665860154,2.382728722802037
[C][O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][N][Ring1][P][C][Branch1][C][C][C],COCC1CN(C(=O)C2=CC=CC=3C=C[NH1]C2=3)CCN1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39CF0>,2.3491,0.9420111158499208,3.0445401219997006,1.6655154572499038
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],COCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39D60>,3.647300000000003,0.7321900319991005,1.8741765468143576,1.7867736131811447
[C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][Ring1][O][C][C][O][Ring2][Ring1][Ring1],CCC1CCN(C(=O)C2=CC=CC(OCC(F)F)=N2)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39DD0>,2.3241000000000005,0.8372020948938971,3.383995192003418,0.8020152824660673
[C][C][O][C][=C][C][Branch1][C][C][=C][Branch1][P][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C],CCOC1=CC(C)=C(C(C)NC(=O)C2=CC=C[NH1]2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39E40>,3.5212400000000015,0.8832456404746312,2.7988328982480812,1.6173953041250746
[C][=C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S],C=CCOC1=CC=C(C(=O)NCC2=CC=CN=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39EB0>,2.5764000000000005,0.8191680002402429,1.7911099598476703,2.3047300413535448
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][C],CC(=O)NC1=CC(NCC2=CC=C(N3C=CN=C3)C=C2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39F20>,3.7512200000000027,0.7524862988046147,2.0364789578361737,1.7259525361868997
[C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],COCCCNC(=O)C(C)S(=O)(=O)C1=CC=C(C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE39F90>,1.3099199999999995,0.7705429816753204,2.4346086099005397,1.4181062984760624
[C][C][=C][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C],CC1=COC(C)=C1N(C)C(=O)C2=CC=C(COC3=CC=CC=C3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38040>,4.7520400000000045,0.6754397462491101,2.24202783422648,1.1351708970190701
[O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring1][P],O=C(C1CC1)N2CCC(C3=NC(C4=CN=CC=N4)=NO3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE380B0>,1.6426,0.8562490883118314,2.413438982186758,1.8678064593723995
[C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][C][C][=C][N][Branch1][C][C][C][C][=C][N][Branch1][C][C][N][=Ring1][O][C][Ring1][P][=O],CCCC(C)CN1C=CN(C)CC=CN(C)N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38120>,2.0063,0.8084308447674126,4.705510694219372,-0.6633564703823094
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1],CC(C)C(=O)N1CCCC1C(=O)NCCC2=CC(C)=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38190>,1.6957199999999992,0.9002589890449714,2.6221696815739595,1.8791252636508977
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C],COC(=O)C(C)NC(=O)C=1SC(C2=CC=CS2)=NC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38200>,2.4713200000000004,0.8809286573779713,2.7066219432338734,1.6980213436559835
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Branch1][C][N][=O],CC(C)(C)C(=O)NCCC(=O)N1C2=CC=CC=C2CC1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38270>,0.9819999999999998,0.866814191169661,2.758311330245549,1.575759625602756
[C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1],CC(OC1=CC=C(Cl)C=C1)C(=O)NC(C)C2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE382E0>,2.7910000000000004,0.9089267257724187,2.9718128712960894,1.5728207575660047
[C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][Ring2][Ring1][=Branch1],COC(=O)NCCC(CNC(=O)C(C)OC1=CC=C(C)C=C1C)CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38350>,2.9592400000000003,0.7177706696331726,2.9509019327568087,0.6379514154090544
[C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][O][Ring1][P],COC=C1C=CC(CC(=O)NC2=CC=C(F)C=C2)=CO1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE383C0>,3.112400000000001,0.8587950733211158,3.025781382435972,1.2681939841696073
[O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][=N][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Ring1][N],O=C(NCCC1=CC=CC=N1)C=2C=NN(CC3CCCCC3)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38430>,2.8309000000000006,0.8920074949857618,2.2159526689014353,2.2440848060273737
[C][C][=N][O][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=N][Ring2][Ring1][Ring1],CC1=NOC(CSC2=NN=C(C3=CC=CC=C3)N2C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE384A0>,2.46582,0.6865134592720654,2.1658107556036406,1.2667565407566865
[C][C][Branch2][Ring1][=N][C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(CC1=NN=C(SCC(=O)NC2=CC=CC=C2F)O1)C=CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38510>,3.8603000000000023,0.579993127345621,3.114071621515712,-0.21410598478760656
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1],COC1=CC=C(OC)C(CN(C)C(=O)C2=CC=C(C)C(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38580>,3.5928400000000025,0.8464824998417612,1.8046584542925146,2.4277540449162913
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CC=1ON=C(C2=CC=CC=N2)C=1C(=O)C3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE385F0>,3.929420000000002,0.6874863821645922,2.1258390050475544,1.3115929057754068
[O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C][Ring1][O],O=C(CNC(=O)C1=CC=CS12)NCCC3(CCCO3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38660>,0.9741999999999995,0.5842429535776977,5.8363924327402295,-2.9151776648517407
[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][O][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][O][=N][Ring2][Ring1][Ring1],C1C=CC=C(C#N)C1OCC2=CC(Br)=CC=C2CON,<rdkit.Chem.rdchem.Mol object at 0x000002761EE386D0>,3.134480000000001,0.8396518202426112,3.7578131982946026,0.4404459029184533
[C][=C][C][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O],C=CCNC(=O)NCC1=CN(C2=CC=CC=C2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38740>,1.2525,0.7918431208325956,2.2391759365315096,1.7200396676314682
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][Branch1],C1CC=CC=C1C(=O)NCCS(=O)(=O)NCCC2=CC=CS2O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE387B0>,1.5739,0.4954484147280272,4.437665565786684,-1.960423492146548
[C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][C][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=N][C][=N][Ring2][Ring1][#Branch1],COC1=CC=C(NC(=O)CN2CCOC(C3=CC=CC(C)=N3)C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38820>,1.8056199999999998,0.8929210803442985,2.854127384019078,1.6104780177024143
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][C],CS(=O)(=O)C1=CC=C(CCC2=NC=NC3=CC=CC=C23)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38890>,2.818500000000001,0.743044755885862,2.0171255549889544,1.698098224440356
[C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][P][C][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring2][Ring1][Ring2],CC1CN(C(=O)C(C)C)C(C2=COC3=CC(O)=CC=C23)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38900>,3.7039000000000026,0.9158419640280194,3.389805676038704,1.1894041441013927
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],O=C(NC1=CC=CC(F)=C1)C(C2=CC=CC=C2)NC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38970>,4.617600000000003,0.7201395110859193,2.143746424359927,1.45695113106967
[C][=C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][C][C][Branch1][S][N][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P][=C][Ring2][Ring1][#Branch1][F],C=C1C=CN=C(N2CCC(NC3=NC=NC4=CC=CC=C34)CC2)C1F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE389E0>,3.326200000000002,0.91322953629805,3.528275276537519,1.037872404952731
[C][S][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],CSC1=NC(C(C)C)=NC(C)=C1C(=O)NCC2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38A50>,3.331520000000002,0.6401153027767711,2.482528119600648,0.7180483942832074
[C][O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Branch1][Ring1][O][C][=C][Ring1][=C][C],COCCNC(=O)C=C(C)C=C(S(N)(=O)=O)C(OC)=CC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38AC0>,0.41790000000000066,0.2917280647040703,3.360830753299302,-1.9021904297789505
[C][O][C][=C][C][Branch1][O][C][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][C][F][=C][Ring1][#C][O][C],COC1=CC(CNCC2=CC=CS2)=CC(F)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38B30>,3.194200000000002,0.8817656401193468,2.102220738396312,2.3066074622004216
[C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][#C],CCCCNC(=O)C1CCCN(C(=O)C2=CC=CC(O)=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38BA0>,2.1607000000000003,0.8190585830160612,2.3362586861706323,1.7590342289096732
[C][C][N][C][=C][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2],CCN1C=CN=C1CNC(=O)N2CCCC2C3=CC4=CC=CC=C4O3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38C10>,3.6959000000000026,0.7888423579466092,2.9483016200570127,0.9959101696760331
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O],O=C(CCCC1=CC=CC=C1)NC2C3=CC=CC=C3CC2O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38C80>,2.7838000000000016,0.8908755799086938,2.617391969490905,1.8369859300525642
[C][C][C][C][C][Branch2][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][C][C][Branch1][C][C][C][Ring2][Ring1][#Branch1],C1CCCC(N(C)C(=O)C2=CC(S(C)(=O)=O)=CC=C2C)C(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38CF0>,3.439320000000002,0.7940223615326694,2.923892527647709,1.046219280015638
[C][C][=N][O][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch1][N][C][O][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][Ring1][S][=C][Ring2][Ring1][Branch1],C1C2=NOC=NC(C3=CC=CS3)=NC1(C4OC(C)=NN4C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38D60>,2.0633,0.83801593662343,5.956268818747205,-1.7661891356300545
[C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O][=C][Ring2][Ring1][Branch1],CCOC1=CC=CC(CNC(=O)C2=CN=C(C3=CC=CC=C3)S2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38DD0>,4.138800000000003,0.7347855992994438,1.932165331462544,1.741762665034675
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1],CC1=CC=C(N2CCC(C(=O)N3CCCCC3C)CC2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38E40>,3.0074200000000015,0.8423094106760992,2.535929724809412,1.675617328571084
[C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][S][C][=C][C][=Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C],CC1=CC(NC(=O)N(C)CC=2SC=CC=2C)=CC=C1C(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38EB0>,3.730640000000003,0.9178074928780244,2.2782931590196043,2.310744305370518
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][C][#N][=C][Ring2][Ring1][Ring1],COC=CC=C(C1=CC(C(=O)NC2CC2)=CC=C1)C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38F20>,2.645880000000001,0.5070566472234047,2.602672938248581,-0.0673897021315577
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][S][Ring1][=Branch1][=C][Branch1][C][N][O][Ring1][S],CC=CC(C)=CC(C(=O)NC1=CC(C)=NS1)=C(N)O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE38F90>,2.64072,0.44890644166037386,3.6439168168276854,-1.399384608525816
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=N][S][Ring1][S][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(NC(SCC2=CC=CC(F)=C2)=NN=CS)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F040>,4.708520000000004,0.3679140047677596,2.821532148395548,-0.9819621245567498
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=C][C][=C][Ring2][Ring1][Ring1][C],CC(=O)NC1=CC(NCC2=CC=C(N3C=CC=N3)C=C2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F0B0>,3.7512200000000027,0.7524862988046147,1.9828702621839973,1.779561231839076
[C][=C][C][Branch2][Ring1][O][C][=N][N][=C][S][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][Ring1][#C][Ring1][N][C][=C][Ring2][Ring1][Branch1],C1=CC(C2=NN=C3SC(C4=CC=C(Br)C=C4)=NN23)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F120>,3.568500000000001,0.7209791203640465,2.6574581742937475,0.9474374275264852
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C],CN(C)C(=O)CC=C(NC(=O)C1=CC=CC=C1)N(C2CC2)C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F190>,1.8303,0.8719473269743142,2.67203104949445,1.6877055853771212
[C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][C][C][=N][Ring2][Ring1][C],COCCOC1=CC=C(NC(=O)C2C(C)=CC(=O)OC2CC)N1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F200>,1.8762999999999999,0.5907625028324685,4.001847567970289,-1.048035053807947
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=S(=O)(NC(C1=CC=CC=C1)C2=CC=CO2)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F270>,3.486600000000003,0.778436033255218,2.4036197669701167,1.4885603993059737
[C][C][Branch1][C][C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Branch1][Ring2][C][C][#N][C][Ring1][P][=Ring1][=N],CC(C)OC=C1C=CN=C(C2=CC=NC=C2)C=C(CC#N)C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F2E0>,3.9370800000000035,0.7900266372572702,3.7472288516922516,0.2029043345940993
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C],CC1=CC=C(S(=O)(=O)C2=CC=C(C(N)=O)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F350>,1.92672,0.9293035558842775,1.63103267133517,3.0154851080862173
[O][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1],O=C(CNC(=O)C1(C2=CC=CC(F)=C2)CCCC1N3)CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F3C0>,1.3111999999999997,0.8126251351322517,4.25468570585901,-0.1915600301977518
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],COC1=CC=CC(CC(=O)N2CCCC2CN3CCOCC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F430>,1.5609,0.8262001291957719,2.5011121894729857,1.6298884565058742
[C][C][Branch1][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F],CC(C)(CN1C=CC=N1)C(=O)NC2=CC(F)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F4A0>,2.826200000000001,0.9351010341554128,2.4122011100767526,2.263304060700311
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][C][C][Ring1][Ring2],CC(NC(=O)CCC1=NC(C2=CC=CN=C2)=NO1)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F510>,2.3690000000000007,0.845559629240831,2.591090537505373,1.6367076086987815
[C][C][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][=N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1],CC1CCN(C2=NC=NCSC(C)=C(CC)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F580>,4.0896000000000035,0.72758851729944,4.146088501938327,-0.5081459154411272
[C][C][C][Branch1][Ring1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1][C][C][C][C][Ring1][Ring2],CCC(CC)C(NC(=O)C1=CC(C)=NC2=CC=CN=C12)C3CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F5F0>,4.272920000000004,0.8625088059220802,3.060236219341064,1.252307810269337
[C][S][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=N][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1],CS1C=CC(C(=O)NC2=NN=C(CC3=CC=C(F)C=C3)O2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F660>,3.1019000000000014,0.829617799406982,3.9691510332804176,0.17893796375449256
[O][C][Branch1][S][C][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][S][Ring1][Branch1],OC(CN1CCSC2=CC=CC=C21)C3=CC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F6D0>,3.3938000000000024,0.929953433947821,2.890283373544074,1.7594837961950311
[N][#C][C][C][S][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][Ring1][N][Ring1][Branch2],N#CCCSC1=NC=CC2=C(N)C=CC(Cl)=C12,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F740>,3.476180000000001,0.5231605310333362,2.6733694664559415,-0.057566811289260666
[C][C][Branch1][C][C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl],CC(C)CCN(C)S(=O)(=O)C1=CC=C(N)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F7B0>,2.5888,0.8479051774162628,2.230230483275058,2.009295403806256
[C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1],CCN(C(=O)CN1CCN(C(=O)OC)CC1)C2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F820>,1.9417000000000002,0.7414097805709462,2.1642921990093367,1.5427567038453942
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P],O=C(NC1=CC=CC(F)=C1)C(C2=CC=CC=C2)NC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F890>,4.617600000000003,0.7201395110859193,2.143746424359927,1.45695113106967
[C][C][=N][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C][Ring1][#Branch2][=C][S][Ring2][Ring1][Ring1],CC1=NC(CC(=O)NC2CCC3(CCCO3)CC2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F900>,2.6020200000000004,0.932014191841284,3.1037334551702127,1.5563375040362075
[C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O],COC(=O)CN(C1=CC(Cl)=CC(Cl)=C1)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F970>,1.9324,0.7970655435550894,2.2197928400672,1.7655348777082471
[C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Ring1][N][Cl],C#CCNS(=O)(=O)C1=CC(NC(=O)COC)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4F9E0>,0.8363999999999999,0.7615893009443563,2.2632081030837448,1.5447384016380368
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][Ring1][S],CCN(CC)C(=O)C=CC=C(CNC(=O)NC(C)CO)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FA50>,1.2034,0.44208126229188505,3.553788618458136,-1.343382306998711
[O][=C][Branch1][P][C][O][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O],O=C(COCCC1=CC=C(F)C=C1)NC2=CC=C(N3C=NC=N3)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FAC0>,1.9991999999999996,0.6648298014330316,2.229202764100773,1.0949462430643853
[C][N][N][=C][Branch1][O][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring2][Ring1][#Branch2],CNN=C(CNC1=NC=CC=N1)C2=NC3=C(F)C=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FB30>,1.9317999999999993,0.6531792382396648,3.292260857186756,-0.026364665988431568
[C][C][Branch1][C][C][N][C][=C][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],CC(C)N1C=CC(=O)N=C1SCC2=CC=CC=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FBA0>,2.9881800000000016,0.6398092614073718,2.5155237624244045,0.6835225446124547
[C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch1][P][C][C][C][N][Branch1][=Branch1][C][C][C][C][O][C][C][O][Ring1][=Branch1][=N][Ring1][S],CC(C)(C)C=NOC(CCCN(CCC1CO)CCO1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FC10>,1.87557,0.44576460000113216,3.6999883359138632,-1.4711653359082026
[C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring1][=N],COCC(=O)NC1=CC=CC(N2CCCCC2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FC80>,1.7884,0.899577486936613,1.8642207383963143,2.6336666962867508
[O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][C][Ring1][Ring1],O=C(CC1=C[NH1]C2=CC=CC=C12)NC3=CC=CN=C3N(C)C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FCF0>,3.3427000000000016,0.7577416329481493,2.252384643454901,1.5363235212858455
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=C][N][=C][C][=Ring1][#Branch2][Ring1][Branch1],CC1=CC=CC=C1NC(=O)CSC2=NC(N)=CC3=CN=CC23,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FD60>,2.46342,0.8994710219938455,3.6499209336006215,0.8474341763686057
[C][O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1],COC(=O)NCCC(=O)NCC(C)(C)C1=CC=NC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FDD0>,1.2214999999999996,0.8202347025617391,2.2686592918949344,1.8325142209137617
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][S][Ring1][=C],CS(=O)(=O)N1CC2=CN(C3=CC=CC=C3)N=C2S1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FE40>,1.6546,0.7855369749572974,3.074144837756621,0.853540037029866
[O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][NH1][C][Branch1][C][C][=N][C][=C][C][Ring1][#Branch1][=C][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NC=C1C=C[NH1]C(C)=NC=CC=C1OC2)CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FEB0>,2.4521000000000006,0.7217008442004545,4.594907437721499,-0.9864032167192263
[C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][C][C][C][Ring2][Ring1][Ring1],CC1(NC(=O)C2=CC=C(C3=CSC=N3)C=C2)CCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FF20>,3.872600000000003,0.9302365253366238,2.3862558484418344,2.2649267782412847
[C][O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1],COC(CNC(=O)CC1=C(F)C=CC=C1F)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002761EE4FF90>,3.0112000000000014,0.8907138011075851,2.4923428052773318,1.9612262002605938
[C][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=N][Ring1][S],CN1C=CC(C(=O)NC2=CC=CC(CO)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963040>,1.1646999999999998,0.8326919052417174,1.9515954279944019,2.2118640982141855
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O],NC(=O)C1=CC=CC=C1NC(=O)CC2=NC(C3=CC=CC=C3)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9630B0>,3.090200000000001,0.7500452001538566,1.891479626732492,1.8587463740367909
[C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][C][Ring1][S],CC1=NC=NC2=C1CCN(C(=O)C=3C(C)=NOC=3C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963120>,1.63086,0.796428211582541,2.5579507912274764,1.4241902666852284
[C][C][Branch1][C][C][Branch1][C][C][C][N][=C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N][=Ring1][=C],CC(C)(C)C=1N=C2SC=C(C3=CC=CC=N3)N2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963190>,3.1503000000000014,0.6731195418735376,2.6886326205620517,0.6769650888056367
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2],CC1=CC=CC=C1OCC(=O)NCC2CC(=O)N(C3CC3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963200>,1.5009199999999996,0.8661635547806096,2.5741735745081,1.7566441993949482
[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring1][S],O=C(C1=CC=CC=C1)N2CCN(CC3=CC=C4C(=C3)OCO4)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963270>,2.3733000000000004,0.8692139275370967,1.7992364876303206,2.5468331500551624
[O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N],O=C(C1=CC=CC(Cl)=C1)NC2CC(NC3=CC=CN=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9632E0>,3.498000000000002,0.9076616182592635,2.7414708156447514,1.7968372756515665
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][C][Ring1][P][Branch1][C][C][O],C1CCN(C(=O)C2=CC=C(C#N)C=C2)CCC1(C)O,<rdkit.Chem.rdchem.Mol object at 0x000002763F963350>,1.9353799999999999,0.8368037755441339,2.5810031029779825,1.603015774742687
[C][S][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=C][Ring2][Ring1][C],CSC1=CC=CC(NC(=O)CC2=CN3C=CSC3=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9633C0>,3.2989000000000015,0.7522774460180548,2.350673620325125,1.410713609765149
[C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1],CC(C)C(C)NC(=O)C(C)SC1=NC=CC2=CC=CN=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F963430>,3.2711000000000015,0.8613590204611925,3.1047945354551505,1.2020005668508116
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CC(=O)N(C)CC(=O)NCC(=O)NC1=CC=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9634A0>,0.5280199999999999,0.8236744501374779,1.8242798979555417,2.2940923527318473
[C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=C][S][C][=Ring1][Branch1][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1],CC1=NC(C(=O)NCCCCC=2C=CSC=2O)=C3C=CC=CC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963510>,3.458020000000002,0.6734055668116784,2.5637445096756366,0.8032833243827553
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][#C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1],CC(=O)NC1=CC=C(C#CCNC(=O)C=2C(C)=NOC=2CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963580>,1.62872,0.8275282648577856,3.448670782589218,0.6889705416997103
[C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring1][=C][Br],CC1=CC(S(=O)(=O)N2C=CN=C2)=CC=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F9635F0>,2.19102,0.8541422658244843,2.4544267970266542,1.816284532095767
[O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][C][Ring1][#Branch1][C][O][C][C][C][C][Ring1][Ring1],O=C(NCC1=CC(Cl)=C2C(=C1)CCCC2COC)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F963660>,3.432500000000002,0.9047869618544921,2.889600667883471,1.6343341413889902
[C][C][Branch1][C][C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][C][=N][Ring1][=C],CC(C)CN1C=C(C(=O)OCC2CCCO2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9636D0>,1.8749,0.7507067318980767,2.8284089946488304,0.9251246648415528
[N][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=C][Branch1][=C][C][=C][Branch1][Ring2][O][C][C][C][Ring1][Ring1][=O][C][=C][C][Ring1][=C][=O],NC(=O)C=C(N)C=C(C=C(OC1C)C1=O)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F963740>,-0.6886999999999994,0.3809094266406408,4.6049850373753,-2.7004379041720963
[C][C][=N][C][Branch1][P][C][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][Ring1][=C][S][Ring1][#C],CC1=NC(CCNC(=O)N(C)C2CC2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9637B0>,1.7978199999999998,0.8704639478823736,2.359697076746933,1.9926226626649353
[C][C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(C)N(C(=O)CCNC(=O)NCC1CCOC1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963820>,2.1537999999999995,0.8031144848067513,2.742841983506663,1.2727304405270932
[C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2],COC1=CC=C2OC(=O)C(CNC3=CC=CC(O)=C3)=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963890>,3.119300000000001,0.7239213083745042,2.167356324219723,1.4522502176527983
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Ring2][Ring1][Branch2],C1C=CC=C(C)C1C(=O)NCC=N[NH1]C(=O)C2=CC=CC=C2CN=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F963900>,2.2414000000000005,0.590265074672351,3.76520479463663,-0.813879421274875
[O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][=C][Ring1][#Branch2][C][Ring1][=C],O=S(=O)(C1CC1)NC2CCC3=CC=CC(OC4CC4)=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963970>,2.1669,0.906797984660074,2.986040302824801,1.5479496204755687
[N][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],NC(CC(=O)N1CCCC1)C2=CC(F)=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9639E0>,1.9770999999999999,0.8960974994104695,2.5926101892189646,1.8878773078333824
[C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][O][Ring2][Ring1][Ring1],CC1=CC2=C(C=C1S(=O)(=O)NC3=CC=CC=C3)OC(C)CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963A50>,2.955520000000001,0.9444562034795844,2.639924939272369,2.082356078125553
[C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1][N][Ring1][P][C],CC(C)C1=NN=C(CNC(=O)C(C)CC2CCCC2)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F963AC0>,2.7711000000000015,0.8767477362943625,2.995274012306435,1.3884646691653773
[N][#C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],N#CCCN(C(=O)C1=CC(F)=CC=C1F)C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963B30>,3.664380000000002,0.8648503204956958,2.1921165476028985,2.1321350548755804
[O][=C][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2],O=C(NC1=NN=C(C2CC2)S1)C3(C4=CC=C(F)C=C4)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F963BA0>,3.2249000000000017,0.9432012053296264,2.3345865148259115,2.3814195118222203
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][NH1][N][=C][Ring1][Branch1][C][C][C][Ring1][#C],CC(C)NC(=O)N1CCC(C(=O)NC2=C[NH1]N=C2C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963C10>,1.4866199999999992,0.7882883731518461,2.626246803456043,1.3151950623031872
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][=Ring2][Ring1][Ring1],CC=1C=C(C)N(C(=O)C2=COC(C3=CC=CC=C3)=N2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963C80>,2.84344,0.7159384529283566,2.2972259168489266,1.2824663477928562
[C][O][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],COCCCNC(=O)CNC(=O)C1=CC=C2C(=C1)CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963CF0>,1.0578000000000003,0.7378675145470489,1.921169774278324,1.7681677984569206
[C][O][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][N][=N][Ring1][P],COC(C)(C)C=NOC(CN1N=C(C2=CC=CC=C2)C=CS1)=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F963D60>,3.272870000000002,0.375550986771343,3.9339542108436554,-2.0561992769869404
[C][N][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2],CN1C=C(C(=O)CC2CCCN2C(=O)C3=CC=CO3)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F963DD0>,3.648900000000003,0.6834677103317903,2.7810331532498473,0.636305398409104
[C][N][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O],CN1C=CN=C(NC(=O)C2=CC=CC3=CC=CC=C23)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F963E40>,2.1857999999999995,0.7817055944931369,1.9634790050475548,1.94504896741813
[O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C],O=C(NCCO)C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F963EB0>,0.9755999999999999,0.8287350118515983,2.0735606999628082,2.070114359295183
[C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][P],CCOC1=CC=C2C(=C1)CN(C(=O)C3=CC=C(C#N)C=C3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F963F20>,3.1554800000000016,0.8750107552133777,1.9789229897570522,2.3961307863098362
[C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][=C][Ring1][#C][C],CNC(=O)C1=CC=CC(NC(=O)C2=CC(Cl)=C[NH1]2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F963F90>,2.58842,0.8129729153073602,2.1169306205662632,1.9479339559705373
[C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=N][N][Ring1][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],C1C=C(C(=O)NC(C)C)C=NN1C2=CC=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F967040>,3.0966000000000014,0.9448121995205083,2.8251892912526912,1.8988717063498504
[C][O][C][=N][C][Branch1][P][N][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C][=N][NH1][C][=Ring2][Ring1][C][C],COC=NC(NC(CO)C1CCCCC1=C)=N[NH1]CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9670B0>,1.2384999999999995,0.2963269404590402,4.700997972256025,-3.2193632699608243
[C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=N][Ring2][Ring1][C],CC1=CSC(NC(=O)C2=CN=C3C=CC=CC3=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967120>,2.6470200000000004,0.7769603072267698,2.045971740727314,1.838829795406535
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=C][Ring1][S],CCC(=O)NC1=CC=CC(C(=O)NC2=CC(C)=CC=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967190>,2.990820000000001,0.9057481255396941,1.8001531380332132,2.728587489665257
[C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1],CC(NC(=O)C=1C=CC2=CC=NN2C=1CC3)=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F967200>,2.0543,0.7960812804346681,3.9772514923054914,0.003154909867848943
[O][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][Ring2][N][C][C][C][C][Branch1][Branch2][N][=C][O][C][=Ring1][Branch1][C][Ring1][#Branch2],O=C(C1=CC=CC=C1OC2CCC2)NCCCC=3N=COC=3C,<rdkit.Chem.rdchem.Mol object at 0x000002763F967270>,3.2769200000000023,0.7966265736256154,2.4572719408060006,1.5258609273220762
[C][N][C][=Branch1][C][=O][C][C][=C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2],CN1C(=O)CC2=CC(NS(=O)(=O)C3=CC=C(C)S3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9672E0>,2.37622,0.9432456424638863,2.3535420289202325,2.362686183399199
[C][C][=N][C][Branch1][#C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=N][C][=C][Ring1][#C][C][=Branch1][C][=O][C][Branch1][C][C][C],CC1=NC(N2CCN(CCO)CC2=N)C=C1C(=O)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F967350>,0.5256700000000001,0.774244963486055,4.083041428193633,-0.21181661076335834
[C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(CC(=O)OCC1=CC=C(Cl)C(N)=C1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9673C0>,4.159200000000003,0.6663246693141445,2.3805456483267555,0.9510776982439668
[C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],COCC1=CC=CC=C1NC(=O)NC2=CC=C(C#N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F967430>,3.3486800000000008,0.9020880457000986,1.8365259281244768,2.6739143003760164
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1],CS(=O)(=O)C1=CC=C(NCC2=CC=CN=C2N3C=CC=N3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9674A0>,2.2829000000000006,0.7773785724305294,2.1813663464004076,1.7055265157522395
[C][C][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(C)(NC(=O)C1=CC=C(Cl)C=C1)C(=O)NCC2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F967510>,2.559800000000001,0.8841747823522648,2.0325402537430666,2.388333658018257
[N][C][=Branch1][C][=O][C][C][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][Ring2][Ring1][Ring2],NC(=O)CC1CCCN(C(=O)CC2=CSC(C3=CC=CN=C3)=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967580>,1.8615999999999995,0.8963998392988308,2.7990241692237596,1.6829750272703947
[O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1],O=C(CN1C=NC2=CC=CC=C2C1=O)NCC3=NN=C4N3CCCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F9675F0>,1.0307999999999995,0.7567131706528762,2.3058436595041467,1.4777221937602345
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Ring1][=Branch2][=C][Ring1][=N],CCOC(=O)C1=CC=C2[NH1]C(C(F)(F)F)=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967660>,3.3634000000000013,0.8379743217270237,2.2040920350970943,1.9857795735380241
[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Branch1][C][N][=C][Ring2][Ring1][Ring2],CC1=CC=C(NC(=O)C2=CC=C(S(N)(=O)=O)C=C2)C(N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9676D0>,1.4769200000000002,0.7446677411381469,1.7719407864240733,1.9513979192666615
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring1][#C],CC(C)NC(=O)NCC1=CC=C(C2=NC3=NC=CC=C3[NH1]2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967740>,2.8325000000000005,0.6927687750487896,2.151236276470337,1.312607598773611
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch1],COC1=CC=C(NC(=O)NCC(OC2=CC=CC=C2)C3CC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9677B0>,3.6743000000000023,0.8158967376454382,2.423558617384293,1.6559250708428985
[O][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C],O=C(CC1=CC=CS1)N2CCN(C(=O)N3CCCCC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F967820>,2.0407,0.836544590611639,2.106372395648295,2.0763505574099
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(CN(CC2=CC=CC=C2)C(=O)C3CC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967890>,3.9338200000000025,0.8116693246999066,1.6546566973552483,2.403689926144285
[C][N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][C][C][Ring1][#C][C][=N][Ring2][Ring1][=Branch1],CN1C=C(C(=O)N2CCC3C(CCC(=O)N3CCCC)C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967900>,1.6732999999999996,0.8483926460403348,3.20418056353242,1.037782666669254
[C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],CCOC(=O)CN(C(=O)CC1=NC2=CC=C(C)C=C2O1)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F967970>,3.2750200000000023,0.6367310147507401,2.3386390528732246,0.8450160208804762
[C][O][C][=Branch1][C][=O][C][=C][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=C][Ring1][Branch2][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],COC(=O)C=C1CC(=O)[NH1]C(N)=C1CC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9679E0>,1.0186999999999997,0.6355394894635288,2.7450855756112187,0.43261187170642534
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][O][=C][Ring2][Ring1][Ring1],COC1=CC=CC(CNC2=CC(OC)=NC(C3CC3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967A50>,2.9833000000000016,0.8839139622057272,2.198030543509093,2.2215392675195424
[C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2],CC(=O)NC(C)C1=CC=C(C(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967AC0>,3.1812000000000022,0.8128837837756911,2.170938359454503,1.8934805594239528
[C][O][C][=C][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][C][Branch1][C][C][=C][C][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1],COC=CC(CCNC(=O)C=1C=NN(C)C=1NC(C)=CC=C)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F967B30>,3.0040000000000013,0.3930407035525293,4.122483427356929,-2.157279909594283
[C][O][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2],COCCNC(=O)C1CCN(C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967BA0>,1.4043999999999994,0.664082971586334,2.6985768419102527,0.6218380160214174
[C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][Ring1][N][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(NC(=O)C1=CC(=O)C2=CC=CC(F)=C2[NH1]1)C3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F967C10>,2.5532000000000004,0.7803571531181193,2.7509675776210027,1.1508181879695938
[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][NH1][N][=C][Ring1][=Branch2][Ring1][Branch1],CC=1OC(C2=CC=CC=C2)=NC=1C(=O)NC3=CC=CC4=C[NH1]N=C34,<rdkit.Chem.rdchem.Mol object at 0x000002763F967C80>,3.778620000000001,0.6018987826042139,2.462362254539469,0.5471316584816002
[C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1],COC1=CC=C(O)C(C(=O)NCC2=CC=C(C)C(F)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F967CF0>,2.778320000000001,0.9096033195466107,1.7776876522624079,2.770328945470645
[C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O],CC1CCCCN1S(=O)(=O)N2CCOC3=CC=C(F)C=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F967D60>,2.1437,0.8402138528849525,2.9689931059538743,1.2320761584708881
[C][N][N][=C][C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][=C][=C][C][=C][N][Ring2][Ring1][Branch1][C][Ring2][Ring1][Branch2][=O],C1NN=CC(N2CCC(OC3=CC=CC(F)=C3)CC2)=CC=CNC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F967DD0>,1.7716999999999996,0.8771177003252417,3.7444858139453165,0.6411026876808918
[O][=C][Branch1][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1],O=C(CC1=NC2=CC=CC=C2S1N3)CCC(O)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F967E40>,1.7087999999999997,0.6251281354317932,5.233628695753884,-2.1079880185949182
[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][NH1][N][=Ring2][Ring1][C],CCOC(=O)CC=C(CSC1=NN=C(C(F)(F)F)C=C1)[NH1]N,<rdkit.Chem.rdchem.Mol object at 0x000002763F967EB0>,1.8879,0.3399909167764271,3.212446434109834,-1.5124918502276987
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],COC1=CC=C(C)C=C1CC(=O)NCCC2=NC3=CC=CC=C3[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002763F967F20>,2.781320000000001,0.7328480135425186,2.0036113993077436,1.6606286684048497
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(NC1=CC=C2C(=C1)OCCCO2)C3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F967F90>,2.4952000000000005,0.9104111395376909,1.9145752478034321,2.6374804498850226
[C][O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][#C],COC1CCN(S(C)(=O)=O)C2=CC=C(Cl)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F954040>,2.1972000000000005,0.8312320397349716,2.9074342012548975,1.2487259974199603
[C][C][C][=C][N][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Branch1][C][O][C][Ring1][P],CCC1=CN=C2C(=C1C)N(CC3=CC=C(Cl)C=C3)CC(O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9540B0>,3.529420000000002,0.9407887379800386,3.1324102990738574,1.5715333908263354
[O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][O][Ring1][=C],O=C(C1CCCC1)N2CCC3(CC2)CC(NC4=NC=CC=N4)CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F954120>,2.2288000000000006,0.9203705438992956,3.5586372123509458,1.0432155071455327
[C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][O][Ring1][=N][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(C(=O)N2CC(NCC3=CC=CC=N3)CO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954190>,1.93582,0.9367678676163157,2.919702389644577,1.7641369484370015
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring2],CNC(=O)C1=CC=C(OC)C(NC(=O)NC2=CC(F)=CC=C2F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954200>,2.9770000000000003,0.80354864793476,1.8627181186753337,2.1550251209984665
[C][O][C][C][N][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Ring1][=C],COCCNC(=O)N1CC(C2=NC(C3=CC=CO3)=NO2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954270>,1.0847999999999998,0.8288925554233776,2.47113208197063,1.6733306951462579
[C][C][O][C][=Branch1][C][=O][C][N][C][Branch1][Ring1][C][O][=C][N][=C][Ring1][#Branch1][S][C][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1],CCOC(=O)CN1C(CO)=CN=C1SCC2=CC=C(C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9542E0>,2.600720000000001,0.6257308682872699,2.5890154587633294,0.5396388826730201
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=N][C][=N][Ring1][O],CC(C)(C)OC(=O)NCCNC1=CC(N2C=CC=N2)=NC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954350>,1.5988999999999998,0.81487209672078,2.470399783985764,1.6039606996181357
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],CCN(CC)C(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C)C(C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9543C0>,4.037740000000003,0.902210792114293,1.758068468325682,2.7529854922457826
[C][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Branch1][C][C][C][O][=N][C][=C][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C],CCC=C(C(=O)OC)C(CCCO)=NC=C1C(=O)N(C)C(=O)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F954430>,1.0745,0.3241849877033467,3.5892789578361715,-1.968354019319438
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][C][Branch1][C][C][C],CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N2CCC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9544A0>,4.707800000000003,0.739642636237676,2.0122692293293856,1.6859439518589943
[C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1],CN(CC(=O)NC1=CC=CN=C1N2C=CC=N2)C3=NC=NC=4[NH1]C=NC3=4,<rdkit.Chem.rdchem.Mol object at 0x000002763F954510>,1.0084999999999995,0.5518822245607757,2.8626047931073852,-0.10319367030350657
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=N][N][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][C][=O],COC(=O)C=C(C)C=NN(CC(=O)NC1=CC=C(F)C(F)=C1)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F954580>,1.4667999999999997,0.267831879291815,3.0639111471852845,-1.7247517507262093
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][Branch1][O][N][C][Branch1][C][C][C][Branch1][C][N][=O][=N][Ring1][N],CC1=CC=CC=C1C2NC=CC(NC(C)C(N)=O)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9545F0>,0.9724200000000001,0.7555879327717736,3.8865422338039917,-0.1086025699451234
[N][C][O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],NC=1OC=C(C2=CC=CC=C2)C=1C(=O)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F954660>,3.898900000000002,0.7406606067497187,2.1651136204321695,1.5381894133164238
[C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring1][#C],CC(C)C(C)NC(=O)N1CCN(C2=NC=NC=3SC=CC2=3)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9546D0>,2.567400000000001,0.9376449557318696,2.853588879396151,1.8346358992631968
[C][C][=C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][Ring2][Ring1][Branch1],CC1=C(C)C2=CC=C(S(=O)(=O)NCC3=CC=NC=C3)C=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954740>,2.923140000000001,0.8030342079632484,2.185189114010578,1.8299819258056642
[C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CN(C(=O)C=1C=NN(C2=CC=CC=C2F)C=1)CCC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9547B0>,2.7211000000000007,0.7249631371850641,2.2398488575017232,1.3849668284235972
[C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][C][=C][Ring1][#C][O][C][Branch1][C][C][C][Ring1][=Branch1],COC1=CC(C(=O)N2CCCS2(=O)=O)=CC3=C1OC(C)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F954820>,1.1943,0.8202233172233301,3.441382765622085,0.6597338204945657
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][C][C][N][Branch1][#C][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][=C],CCN(CC)C(=O)CN1CCN(C2=CC(C)=NC(C)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954890>,1.5550399999999993,0.825987644505895,3.0699785904780565,1.0599596320514184
[C][C][=N][O][C][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][Ring1][#C],CC1=NOC(CC2=CC=C3C(=C2)OCO3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954900>,1.6975199999999997,0.7673416222251218,2.205280390241951,1.631427720883658
[C][=C][C][=C][Branch2][Ring1][P][C][=C][S][C][Branch2][Ring1][Ring2][C][C][=N][O][C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][=N][Ring1][N][C][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2],C1=CC=C(C=C2SC(CC3=NOC(CCN4C=NC=N4)=N3)C=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954970>,2.3602,0.8027288850994825,4.416183951832454,-0.4025395263350413
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F],CC1=CC=CC=C1CNC(=O)C2=C(O)C=C(F)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9549E0>,2.9088200000000004,0.9059172387381067,1.9876075436431844,2.5419786500473496
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Ring2],CC(=O)C1=CC=C(OCC(=O)NC2=C(C)C=C(C)C=C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954A50>,3.8319600000000023,0.8537712244376309,1.7632035092375702,2.505652612950584
[C][C][C][=N][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O][=C][S][Ring1][P],CCC1=NC(CC(=O)NC2CCCCNC2=O)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954AC0>,1.0329,0.8657730967123057,2.870244322136184,1.458621161425345
[C][O][C][C][=C][Branch1][Ring1][C][O][N][=N][N][Ring1][#Branch1][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2],COCC1=C(CO)N=NN1CCCOC2=CC=C(CO)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F954B30>,0.8781999999999996,0.6684593498194609,2.4727717088351095,0.8695250402621948
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C],CC1=CC=C(OC(=O)CNC(=O)CN(C)C2=CC=CC=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F954BA0>,2.4614400000000005,0.6543019253072324,2.0206295892942663,1.2508800372418958
[C][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=C][Ring1][O][S][C][=Ring2][Ring1][Ring1][C],CC=1C=C(NC(=O)C2=CC=CC(N3C=NN=C3)=C2)SC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F954C10>,3.197940000000002,0.8074853986727657,2.4900782358167834,1.547348757547045
[C][O][C][=C][C][Branch1][P][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][S][Branch1][C][C][=Branch1][C][=O][=O],COC1=CC(CC(=O)OCCC2=CC=CC=N2)=CC=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F954C80>,1.8220999999999998,0.7092978807343788,2.1665825169636115,1.3799068867082829
[C][N][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][C],CN1C=NC(CNC(=O)NC2=CC=C(F)C=C2Cl)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954CF0>,1.9292999999999998,0.9039658930271355,2.422389146717551,2.0974403184181263
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][N][=Ring2][Ring1][Ring2],CC=1C=C(C)N(C(C)C(=O)N(C)CC2=CC=NC=C2Cl)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954D60>,2.767940000000001,0.8725028437896072,2.914078675157196,1.4484355437908398
[C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][N][C][C][N][C][=Branch1][O][=N][N][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring1][N][=N][Ring2][Ring1][C],CC(=O)NC(C)(C)C1=NOC(CN2CCN3C(=NN=C3C4CC4)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954DD0>,0.9254999999999995,0.859601805547946,2.9174547526601593,1.3805542750795707
[C][C][N][C][=Branch1][C][=O][S][C][=C][C][Branch2][Ring1][C][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][C][=C][Ring1][P][Ring2][Ring1][=Branch1],CCN1C(=O)SC=C2C(CC3=NC=C(C4=CC=CC=N4)N3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F954E40>,3.410400000000001,0.6210130427517959,2.8692769798141935,0.2357882339447861
[C][S][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1],CSC1=CC=CC(NC(=O)C2=CN(C)N=C2C3=CC=CN=C3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954EB0>,3.4563000000000015,0.7467554333153413,2.181756556190617,1.5520206103860894
[C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][Ring1][Branch2],CCC(C)(C)C(=O)NC(C)C1=CC=C(F)C(N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F954F20>,3.021300000000001,0.8092171455387627,2.7240582677787035,1.3220274599151098
[C][C][=N][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][O][Ring1][Branch1][S][Ring1][#C][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1],C1C=NN1CC=CC=C(NC(=O)N(C)C2CCCO2)S,<rdkit.Chem.rdchem.Mol object at 0x000002763F954F90>,1.3931,0.595340561585642,4.680863921255851,-1.7041611133276406
[C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][S],CC(=O)NCC1=CC=C(C(=O)N(C)CC2=CC=CC=N2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944040>,2.0514,0.9193051797365853,2.2259528772770203,2.3705730214059066
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][Branch1][S][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][Ring1][=C][N],COC1=CC=CC=C1N2N=NC(C3=CC=C(OC)C(F)=C3)=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9440B0>,2.6727999999999996,0.8010686551184888,2.1612268735655498,1.844116402026894
[C][O][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][N][Ring2][Ring1][Ring2][C][=Ring2][Ring1][#Branch1],COC=1C=C(C(=O)NC2CCC(O)CC2)C=C3C=CC=CC3=NNC=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944120>,2.7292000000000005,0.800958623274337,2.9089350763267703,1.0958580400449147
[C][N][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][=C][Ring1][=N][N],CN(C1)C=CC(Cl)=CC(C2=CC=C[NH1]2)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F944190>,2.2662999999999998,0.7845140108864009,3.5951300138098707,0.32744004062213383
[C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][S][Ring2][Ring1][C],CC(=O)NCC1CC(C=C2C=C(OCC(O)C(F)(F)F)CC2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944200>,2.5405000000000006,0.7721457934649664,4.668914401164908,-0.8081854338400767
[C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][C][Ring1][=Branch1],COC1=CC=C(S(=O)(=O)N2C=CC=N2)C3=CC=CN=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F944270>,1.6768999999999998,0.7330408267796091,2.423828345998725,1.2413757878993206
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][S][Ring2][Ring1][Ring2],CC1=CC=C(C(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9442E0>,4.105640000000003,0.8451290536698565,1.9811855302464938,2.2444597381027886
[C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC1=NC=NC=C1C(=O)NCCCC2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F944350>,2.801020000000001,0.8612787567964855,1.9721206536910323,2.334273130291395
[C][C][N][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][C][=N][Ring2][Ring1][C],CCN1C=C(S(=O)(=O)N2CCN(C(=O)CO)CC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9443C0>,-1.2717999999999987,0.7478566038890201,2.333378732454376,1.4059042869907246
[C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Branch1][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][Ring1][P][C],CC(=O)NCCN1C(=O)C2=C(OCCO)C3=CC=CC=C3N2C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F944430>,1.1227999999999996,0.8308324111777279,3.2192313972974365,0.9349306585912025
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],CCC(CC)C(=O)NC(C)C(=O)N1CCC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9444A0>,2.5166000000000004,0.90479841100035,2.572653587903252,1.9513384670984975
[N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S],NC(=O)COC1=CC=C(NC(=O)CC2=CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944510>,2.3797000000000006,0.7884628985587862,2.0922482358167844,1.8500662569771462
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C],COC1=CC=CC=C1NC(=O)C(C)NCC2=C(C)C=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F944580>,3.428840000000002,0.8589853195086102,2.3297873150470387,1.965139282496012
[N][#C][C][S][C][=N][C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=Ring1][=N][C][#N],N#CCSC1=NC(C2=CC=CC=C2OC)=NC1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9445F0>,2.00286,0.840776942030829,3.7490058605977215,0.4548788495564233
[O][=S][=Branch1][C][=O][Branch1][S][N][C][C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][N][=C][Ring1][=Branch1],O=S(=O)(NCC#CCOC1=CC=CC=C1Cl)C2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F944660>,2.0957,0.8489384566979667,2.3751475330109333,1.8695447504789007
[C][C][=N][C][Branch1][P][S][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][C][=C][Branch1][C][C][S][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1],CC1=NC(SCCOC2=CC=C(C#N)C=C2)=C3C=C(C)SC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9446D0>,4.350920000000003,0.392130659274834,2.4597474652815254,-0.4990941689073556
[C][O][C][=Branch1][C][=O][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=N][C][=Ring1][S][C],COC(=O)CSC(NC(=O)CNC(=O)C1CC1)=NCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F944740>,-0.08909999999999951,0.40590836635067423,2.762938872314516,-0.7333970405611447
[O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1],O=C(NCC(C1=CC=CC=N1)N2CCOCC2)C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9447B0>,2.1513999999999998,0.903969365771505,2.6628686357483957,1.8569781931091294
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2],CC(C)OC1=CC=CC=C1CNC2=CC=CC(C(=O)OC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F944820>,3.8725000000000023,0.822503874993695,1.7959558633902315,2.3165635115782433
[C][O][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2],COCCCN(C)C(=O)NCC1=NOC(C(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944890>,1.3708999999999996,0.7568148859894768,2.5292166950038073,1.2548577349435766
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][S][C][=C][C][=Ring1][Branch1][N][Ring1][Branch2][C],CCOC(=O)C(C)N(C)C(=O)C1=CC=2SC=CC=2N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F944900>,2.2634,0.8128082727132006,3.0321470714390006,1.031894292127002
[C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][O][N][=C][Ring1][Branch1][N][C][=C][C][=C][Ring1][Branch1][Cl],CC=C(C1=CC=CC=N1)C2=NON=C2N3C=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F944970>,3.3603000000000023,0.7406370090379272,3.1581025327919683,0.5450825123976677
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N],CC(C)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9449E0>,2.4057000000000004,0.8654927199978218,2.077073124854426,2.250390475134683
[C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],CC(C(=O)NC1=CC=C(Cl)C=C1F)N2CCC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F944A50>,3.8644000000000025,0.9251815680446005,2.371800240342898,2.254107599880104
[C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1][C],C1C=CC=CC1(NC(=O)CCC(=O)N2CCN(C(=O)CO)CC2=C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F944AC0>,0.33440000000000003,0.7501435233828148,3.8985663472297807,-0.14784873031570678
[C][C][Branch1][C][O][C][N][C][C][N][C][Ring1][=Branch1][=O][C][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][O],CC(O)C1NCCNC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F944B30>,-1.5448,0.41755384566334725,3.6279552065437635,-1.540185978227027
[C][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][NH1][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][N][Ring1][#Branch1],CC=1OC=CC=1CN(C)C(=O)C2=CC(=O)[NH1]C3=C(C)C=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F944BA0>,3.0101400000000007,0.8084055716234654,2.4271188595122943,1.6149089986050322
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][P],COC(=O)CNC(=O)C1=NC(CC(=O)NC2=CC=C(Cl)C=C2Cl)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944C10>,1.4604000000000001,0.7195517327751271,2.330646553902394,1.2671121099732412
[C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1],CCOC1=CC=C(C(=O)N2CCN(C)CC2C3=CC=CC=C3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944C80>,3.2142000000000017,0.8655922142016031,2.3063258414645613,2.0216352295434543
[C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][N][=C][C][=C][Ring1][=Branch1][C][=N][Ring1][#C][=C][Branch1][C][C][S][Ring2][Ring1][Ring1],C1C2=CC(C(=O)CC=C3NN=CC=C3C=N2)=C(C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944CF0>,2.3340000000000005,0.735426108101204,5.681131374125647,-2.0040008336196267
[C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][C][Ring1][=C][=C][Branch1][C][C][O][Ring2][Ring1][=Branch1],CC1=CC(C(=O)N2CCC(OC3=CC=C(C)N=N3)CC2)=C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944D60>,2.678460000000001,0.8707911378449301,2.466334329186852,1.887621360037799
[C][C][Branch1][C][C][=C][C][C][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1],CC(C)=CCC1(CO)CCCN(C(=O)C2CC(=O)N(C3CC3)C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F944DD0>,1.9546999999999999,0.7819422272294897,3.5949811147207402,0.31473002142670836
[C][O][C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][N][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][=C][Ring1][S][N],COCC1=CC(C)=NC(N2CCC3(CCCC3)C2)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F944E40>,2.88912,0.9212657507260587,3.260313603152901,1.3460151504773927
[C][N][C][=C][C][=C][Branch1][Branch1][N][=N][Ring1][=Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Ring2][Ring1][Branch1],CNC1=CC2=C(N=N1)CCN(C(=O)C3=CC(C4=CC=CC=C4)=NO3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F944EB0>,2.3718000000000004,0.7909377748641384,2.571902658726694,1.382786215593998
[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][Branch1][C][Cl][Branch1][C][C][C],CCOC(=O)C1=NC2=CC=CC(F)=C2N1C(Cl)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F944F20>,3.283500000000002,0.6416184274286381,2.8189059570991777,0.3891861800440126
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F],CC1=CC=C(NC(=O)N(C)C(C)C2=CC=CC=N2)C=C1C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F944F90>,4.633720000000003,0.8871145517018785,2.7249114962111527,1.71066126229824
[C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],CC(C1=CC=NC=C1)N(C)C(=O)C=N[NH1]C(C)=CC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E040>,3.237400000000002,0.6559669524154661,3.2012250151808708,0.0786097468964595
[C][C][=N][C][Branch2][Ring1][Ring2][C][NH1][N][=C][C][=Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][Ring2][Ring1][Ring1],C1C=NC(C=2[NH1]N=CC=2COC3=CC=CC=C3Cl)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E0B0>,2.7417000000000007,0.9346829497228994,3.486574267191128,1.1868404814233697
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][N][=C][Ring1][O][N][=C][Ring2][Ring1][Ring1],COC1=CC=C(OC)C(NC2=NC=NC(N)=C2N=CN)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E120>,1.4380999999999997,0.5618631032772424,2.7774780402496404,0.03183747613657184
[C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][C][C][C][C][Ring1][Ring1],CC1=CC(C(=O)NCC(CO)C2CCCCC2)=C(C)N1CC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E190>,3.4335400000000025,0.8035355630493662,2.9915716958049003,1.0261061194419305
[O][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][C][Ring1][Branch2][=O],O=C(C1=CC2=CC=CC=C2O1)N3CCC4(CC3)OCCCC4=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E200>,2.7871000000000015,0.8120529087474121,3.029371890965523,1.0308926527715379
[C][O][C][=C][C][N][=C][Branch1][S][C][=C][C][=C][N][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Branch1][C][=O][C][=Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C],COC=C1CN=C(C2=CC=CN2C(F)(F)F)[NH1]C(=O)C1C=COC,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E270>,2.1474,0.8522358335515715,4.4990127979863,-0.23783363022844206
[C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2],CCC=1ON=C(C)C=1NC(=O)C=2N=C3N=CC(Br)=CN3N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E2E0>,1.9979199999999997,0.7750303667444728,3.0242869059602002,0.8508649277621636
[C][C][C][=N][S][C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][C][=C][N][=C][C][=C][C][Branch1][Ring1][C][#N][=C][N][Ring1][O][Ring1][Branch2][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1],CCC1=NSC(N2CCN(CC3=CN=C4C=CC(C#N)=CN34)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E350>,1.9420799999999998,0.7136453857374372,2.884429318368424,0.683797610318762
[C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][F][F],CN(CC1=CC=NC=C1)C(=O)NC2=CC=CC=C2SC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E3C0>,4.060200000000003,0.844066062818864,2.2414513968889906,1.9788789172053294
[C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1],COCC(O)CN(C)C(=O)NC1=CC=CC2=C1OC(C)(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E430>,1.8711,0.8709618113101057,3.0367225819522705,1.3180864745982586
[C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O],CCCNC(=O)CNC(=O)C1=CC=C(Cl)C(S(N)(=O)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E4A0>,0.24339999999999995,0.6906958875874921,1.9406134006519515,1.5128660372855092
[C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],CCN1N=C(C)C2=C1C=NN2CCCOC3=CC=C(C)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E510>,3.3386400000000016,0.6556295345089737,2.3706222582856586,0.9075254142592097
[C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CCN(CC1CC1)C(=O)NC2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E580>,3.228600000000001,0.8786219027442621,1.9845485500107518,2.408560963710559
[C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][C][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][Ring1][=C][=O],CC(C)C(=O)C1=CC=C(NCCC(C)NC(C)=O)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E5F0>,1.1087999999999998,0.6840425835909674,3.5564403467171815,-0.13622742876234462
[C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][C][Ring1][=Branch1],CC1=N[NH1]C(C)=C1C2CCCN2C(=O)NCC3CCCOC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E660>,2.29964,0.899950808799368,3.444974764820575,1.0547792791762642
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][Ring1][C][#N][C][Branch1][C][C][C][C][=C][Ring1][P][F],CC1=CC=C(S(=O)(=O)N(C)C(C#N)C(C)C)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E6D0>,2.3028000000000004,0.8520089559750137,3.130033333125195,1.1300114467498732
[C][C][=C][C][=C][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][Ring1][P][C],CC1=CC=C(CCNC(=O)C2CCC(=O)N2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E740>,1.2407399999999997,0.8554700695130038,2.4963377909315394,1.7810125566334793
[C][C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][C][C][O][N][=Ring2][Ring1][#Branch1],CCC1=CC2=CC=C(CNC(=O)C3=CC=NC(N(C)C)=C3)N2CON1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E7B0>,2.1223,0.8716194889015144,3.4734365016154287,0.8846609428921433
[C][C][O][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2],CCOCC1CCCN(C(=O)NC(C(N)=O)C2=CC=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E820>,2.0612,0.83550242301973,2.8524140435566103,1.3250980715420395
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][Ring2][Ring1][Branch1],CC1=CC=C2C=C1CNC3=CC=C(C(=O)NCC4=CC=CC=N4)C=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E890>,3.9125200000000024,0.765787522103012,3.0473027943448567,0.7816348161702034
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C],COC1=CC=C(C)C=C1S(=O)(=O)N2CCN(C)CC2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E900>,1.32822,0.8445362790090359,2.5732316868236165,1.649449708221563
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1],N#CC1=CC=CC=C1CN(CC2=NN=NN2C3CC3)C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E970>,2.0442799999999997,0.8150835582683548,2.5448134670768674,1.5306043242649068
[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][P],COC1=CC=C(C(=O)NC2=CC=C(O)C=C2)C(O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94E9E0>,2.3587,0.7392145251833303,1.6455572163837324,2.050515409532919
[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=N][N][Ring1][S][C],COC(=O)C1=CC(C2=CC(Cl)=CC=C2OC(C)C)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EA50>,3.314300000000001,0.8131251868735095,2.241684915978727,1.8239410183888207
[O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][Ring1][=C],O=C(C1=CC=CO1)NC2CC(OCC3=CC=CN=C3)CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EAC0>,2.9324000000000012,0.9217937107494614,2.9414533785145736,1.667515175232733
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1],COC1=CC=C(Cl)C=C1NCCC(=O)C2=CC=C[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EB30>,3.361600000000001,0.7968094693659944,2.2254181742937487,1.7586291725362235
[C][C][N][C][=C][Branch2][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=N][Ring1][P],CCN1C=C(CN(C)C(=O)C2=CC=NC=C2)CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EBA0>,1.7489000000000003,0.8263416120884881,3.2931489435245176,0.8385591169179225
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=C(NCC(O)COC2=CC=CC=C2F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EC10>,2.8801000000000014,0.7722558717454435,2.3046269243840314,1.556652434343186
[C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][#N],CCCN1C(C)=NN=C1SCCOC2=CC=C(C#N)C=C2C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EC80>,2.9109800000000012,0.5737521345642046,2.517085808476791,0.3516748643442318
[C][C][C][C][C][C][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C],CCCCCCNC1=CC=C(S(=O)(=O)N2CCOCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94ECF0>,2.699700000000001,0.7463272106902726,1.8989299505933506,1.8327061028580127
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][=N][NH1][C][=Ring1][Branch1],O=C(NC1=CC=C(OC(F)F)C=C1)C=2C=N[NH1]C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94ED60>,2.2634,0.8777893421280477,2.1094615798380687,2.27948513080217
[C][=C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][Ring2],C=C1N(CCOC2=CC=C(Cl)C=C2)C(C3=CC=NC=N3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EDD0>,2.742400000000001,0.8517680818930587,2.6602037717562563,1.5986366377090375
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][=C][Ring1][=C],CS(=O)(=O)C1=CC=C(CN2CCCS2(=O)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EE40>,0.6256000000000002,0.8178059750607456,2.321903024108085,1.767126851195643
[C][C][Branch1][C][C][C][C][Branch1][C][C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Ring1][O][Cl],CC(C)CC(C)OCC(=O)NC1=CC(NC(=O)CC)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EEB0>,4.0782000000000025,0.7489177606026922,2.5380435883100674,1.206545214703394
[C][C][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][P],CCC1=CC=C(S(=O)(=O)NC2=CC=CC(O)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EF20>,2.7554000000000007,0.9026909234479582,1.7007302207378707,2.8127243965019204
[C][C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O][C][=N][Ring2][Ring1][Branch1],C1CCC=NN=C1NC(=O)C=2C=C(C3=CC=CC=C3)ON=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94EF90>,2.6396000000000006,0.9190448176524346,2.818568186188992,1.7766559020731805
[C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2],CCN(CC(=O)NC(C)C)C(=O)C1=CC(F)=CC(Br)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950040>,2.5749000000000004,0.8918317032792968,2.1534359695568934,2.3057225468395908
[C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][C][=C][Ring1][S],CCC(C)C1=CC=C(C(=O)N2CCC(OC)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9500B0>,3.451100000000002,0.8420006509048861,2.346788097080026,1.8632151574444045
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(NC(=O)C(C)SC2=NN=NN2C(C)(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950120>,2.8558200000000014,0.8773270512712236,2.5951225819522694,1.7915126744038483
[C][C][C][Branch1][Ring1][C][O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C],CCC(CO)NC1=CC=C(S(=O)(=O)N2CCCCC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950190>,2.044,0.8432332675630718,2.4321401724467044,1.7840261653686547
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][=C][Ring2][Ring1][Ring2],C1C=CC=C(C)C1NS(=O)(=O)C2=CC=CC3=NON=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F950200>,1.7759,0.9312585307365837,3.33379538452942,1.322497269153498
[C][N][Branch1][O][C][C][Branch1][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],CN(CC(O)C(C)C)C(=O)COC1=CC=C(Br)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950270>,2.3032000000000004,0.8707563703795094,2.5479864035841473,1.8057954483133996
[C][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][N][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CCCCNC(=O)CN(C)C(=O)CN1N=C(C)C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9502E0>,1.7194199999999997,0.7909700086386495,2.136408042204602,1.8184420009886457
[C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F],CC1=CC=C(F)C=C1S(=O)(=O)N(C)CCC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F950350>,2.707020000000001,0.8016847150682052,2.244694155455443,1.7637294198855828
[C][O][C][C][N][C][=N][N][=C][Ring1][Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C],COCCN1C=NN=C1SC(C)C(=O)NC2=CC=C(C)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9503C0>,2.660640000000001,0.7884807022424408,2.6397940458162683,1.302609465395936
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(C2CCCN2C(=O)C=3C=CN(C)C(=O)C=3)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950430>,2.3798000000000004,0.8558613742907679,2.6648672741289676,1.6144395973248722
[C][N][Branch2][Ring1][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][NH1][Ring1][Branch1],CN(CC=1C=NN(C2=CC=CC=C2)C=1)C(=O)CSC3=NN=C[NH1]3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9504A0>,1.7410999999999999,0.6973169540028531,2.7220139405972557,0.7645708294170097
[C][C][C][N][C][=N][C][Branch1][=Branch1][N][C][C][C][O][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C],CCCNC=NC(NCCCO)=NC1=CC(=O)[NH1]C(=O)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F950510>,-0.9389999999999992,0.2939101419971392,3.6315286535297586,-2.1619779435440627
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][C],COC1=CC=C(F)C(NC(=O)CC2=CC=C(C)N=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950580>,2.7189200000000007,0.9322595892368032,1.8357715646222061,2.8255263815618097
[C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2],CN(CCN1CCOCC1)CC2=CC=C(S(C)(=O)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9505F0>,0.8541000000000003,0.7794732596058128,2.00481806632526,1.8925482317038038
[C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][Cl][C][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][N][C][C][Ring1][#C],CC1=CC=C2C(=C1Cl)C(CC3=CC=CN3C)NCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950660>,3.4164200000000022,0.8879827441597354,3.319718681110542,1.1201950396881353
[C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C],COC(=O)CNC(=O)NC1=CC=C(S(=O)(=O)NCC(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9506D0>,0.9153999999999998,0.637037791391848,1.9962846861252004,1.1889042708340396
[C][=C][C][N][Branch1][Ring2][C][C][=C][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O],C=CCN(CC=C)CC1=NOC(C2=CC=NC=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950740>,2.3056,0.7114171961063452,2.690887824643399,0.8661981558883274
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],CC1=CC=CC=C1SC(=O)CC2=CC=C(O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9507B0>,3.562020000000002,0.8552318304442273,2.0855077336842225,2.1906514185369144
[C][N][C][S][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],CNC=1SN=C(C)C=1C(=O)OCCOC2=CC=C(F)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950820>,2.868120000000001,0.6564907013335498,2.25838103894586,1.024072467721889
[C][C][=C][N][=C][Branch2][Ring2][Ring2][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O][C][Branch1][C][O][=N][C][Ring2][Ring1][C][=C][N][=C][NH1][Ring2][Ring1][=Branch2],CC=C1N=C(C2=CC(C3=CC=CC(N4C=NC=N4)=C3)C(O)=NC2=CN=C)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950890>,2.652399999999999,0.8197251131428724,4.441292369420717,-0.3426668037063543
[O][=C][O][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1][Ring2][Ring1][Branch2],O=C1OC(C(=O)N2CCCCC2CCO)CC1C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F950900>,2.2619,0.806001958329518,3.63755710362374,0.3924526880238499
[C][O][C][C][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl],COCCN(CC=1C=CSC=1)C(=O)C2=CC=C(F)C=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F950970>,3.8294000000000032,0.8066868177164341,2.169035797746382,1.8643982908357888
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C],CCS(=O)(=O)C1=CC=CC(NC(=O)C2CCOCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9509E0>,1.8453,0.9201977151281936,2.0320655206661637,2.568923054974804
[N][#C][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][S][Ring2][Ring1][C],N#CC1=CC(C#N)=C(NC2=CC=C3C(=C2)OCCO3)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950A50>,3.006260000000002,0.9161953556169735,2.758423752951119,1.8225530251337485
[C][C][C][=C][Branch1][C][C][N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][N][=Ring2][Ring1][Branch2],C=1CC=C(C)NN=C(NC(=O)CC=2N=C(C3=CC=CO3)ON=2)CN=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950AC0>,1.2696999999999998,0.8757423729266605,4.020378951832454,0.358332912800849
[N][#C][C][=C][C][=N][C][Branch1][N][N][C][C][S][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring1][=C],N#CC=C1C=NC(NCCSC2=NC=N[NH1]2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950B30>,0.8621799999999997,0.4567080575190993,3.9140715049174792,-1.6305312173219826
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][C],CC(=O)NC1=CC=C(F)C(C(=O)NCC=2C=C(C)OC=2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950BA0>,2.9239400000000018,0.9120001967243895,2.0878987418021424,2.4721022418198046
[C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][Ring1][Ring1],COCCNC(=O)C(C)SC1=N[NH1]C(=O)N1C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950C10>,0.14949999999999936,0.5499767563458415,2.838687813260444,-0.0888040315312364
[C][=C][C][=C][Branch2][Ring1][#C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][N][O][Ring2][Ring1][=Branch2],C1=C2C=C(C=C1C3=CN=CC=C3NC4CC5=NN=C6C=CC=CN56)C4O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950C80>,3.2616000000000005,0.6061890808172592,4.719338433695283,-1.6883930296089869
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1],CCOC(=O)C1CCN(C(=O)NCCCN2N=C(C)C=C2C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F950CF0>,1.8747399999999994,0.6354900198355659,2.220526719030202,0.9569233801476273
[C][C][Branch1][C][O][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O],CC(O)(CC(=O)NC1=CC=CC(F)=C1)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F950D60>,0.39059999999999995,0.7104037707511449,2.6900834989137614,0.8619353548419633
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][=N],CC(C)CCNC(=O)C=CC=C(N)C(OCC1CC1)=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F950DD0>,2.4878,0.3867531285460279,3.0919952825709256,-1.158229639840786
[C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][C][=N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2],COC(=O)C1CC(O)CN1CC2=NC(CC(C)C)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950E40>,1.4497999999999995,0.8337106323185612,3.3322092809473336,0.8363438806454724
[C][O][C][=C][C][=C][N][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O],COC1=CC=CN(CC(=O)C2=CC=C3C(=C2)OCCO3)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F950EB0>,1.5109999999999997,0.8008670188936665,2.1925717088351107,1.8117633856332223
[O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O],O=C(NCC1=CC=CC=C1)CC2=NN=C(C3=CC=CC=C3)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950F20>,2.5955000000000004,0.7848151924127391,1.7929728246423782,2.1311031374213174
[C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][O][Ring1][=N],CC1CCCCN1C(=O)C2=CC(C3=CC=C(F)C(F)=C3)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F950F90>,3.634400000000003,0.8508066836871645,2.6774189839373808,1.5766144344984419
[C][N][N][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][N][=C][Ring1][P][Ring2][Ring1][Ring2],CN1N=CC2=CC(C(=O)NCCC3=CC=NC=C3)=CN=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F958040>,1.3357999999999999,0.7828776830261814,2.233106672134566,1.6812817429963411
[O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][C][C][C][C][Ring1][Branch1],O=C(CN1C=NN=N1)NCC2=CC=CC=C2COC3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9580B0>,1.4486999999999992,0.8360244979731782,2.342734569353924,1.8373879205119668
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=S(=O)(NCC=1C=CSC=1)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F958120>,2.880000000000001,0.93974660119474,1.8969867741482496,2.80174623182545
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][C],C1C=CC=C1OC2C=CC(C(=O)N(C)C)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F958190>,1.2719,0.7155416391096299,4.433303853959999,-0.8555956584118496
[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1],CC(=O)N1CCC(C(=O)OC2=CC=CC(C(C)(C)C)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958200>,3.1480000000000024,0.6226410318755395,2.0364487418021415,1.076756417575556
[C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1],CCN(CC1=CC=C(OC)C=C1)C(=O)C2=CC=C(C)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F958270>,3.2589200000000025,0.839410566424988,1.8931070041826459,2.303945827942294
[O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C],O=C(C1=CC=C(F)C=C1)N2CCC(C3=C[NH1]C4=CC=CC=C34)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9582E0>,4.326800000000003,0.7489285004886818,1.9202714853086995,1.8243710171347094
[C][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][O][=N][C][=Ring1][=C][C][Ring1][P],CCCC(=O)NC1CC=2N=C(NC(=O)N(CC)CCO)NC=2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958350>,0.6393000000000003,0.5899232251007884,3.4557716900470385,-0.5061555645430964
[N][#C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring2][Ring1][Branch1],N#CC1=CC=CC(NC(=O)CCCC2=NC3=CC=CC=C3S2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9583C0>,4.129380000000003,0.7681257737858759,2.0158001633297467,1.8248287055996326
[C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(CC(=O)N1CCCN(C2=NC=CC=N2)CC1)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F958430>,2.709100000000001,0.8675194799308311,2.4881240067775074,1.8494733928766482
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCCN(C(=O)C1=CC=C(C)N=C1C)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9584A0>,3.7552400000000032,0.8456376585424275,1.9990795316551733,2.229108761056964
[C][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][O][C][C][C][O][Ring1][=Branch1][C][=C][Ring1][N],CCCCC(=O)NC1=CC=C(C2OCCCO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958510>,3.2508000000000017,0.8866853051186477,1.9811692232447964,2.4522573023484426
[C][C][=N][N][=C][Branch2][Ring1][Ring2][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][Ring1][O][S][Ring2][Ring1][C],CC1=NN=C(CSC2=NC3=CC=CC=C3C(=O)[NH1]2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958580>,2.3753200000000003,0.5920665689820209,2.4731507617063357,0.487182083203769
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C],CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9585F0>,3.281600000000001,0.9389795934125809,2.548382075966913,2.1465158910959916
[C][O][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][Cl],COCC(O)CN(C)C(=O)C1=CC(NC(C)=O)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F958660>,1.3777,0.831155750899938,2.5483107023405385,1.6074680521591516
[C][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2],CC1C=2C=CSC=2CCN1C(=O)C3CCN(S(C)(=O)=O)CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9586D0>,1.8654000000000004,0.8242762628098907,2.8597810308803915,1.261600283169062
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][S][Ring1][P],CC1=NC(C)=C(C(=O)NC2=CC(F)=CC(Cl)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958740>,3.8047400000000016,0.9111265614671737,2.083449648911852,2.4721831584240164
[C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],COC1=CC=C(NC(C)=O)C=C1NS(=O)(=O)C2=CC=C(C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9587B0>,2.7628200000000014,0.8803763195004459,1.7316386740727339,2.6702429234294955
[C][C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][O][N][=Ring2][Ring1][Branch1],CCC=1C=C(C(=O)NCC2CCN(C3=CC=C(F)C=C3)C2)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958820>,2.6324000000000005,0.9208309996870383,2.696581305431655,1.9075736930035365
[C][O][C][=N][C][Branch1][#C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][Branch1][C][Br][=C][Ring1][P][O],COC1=NC(CCCNC(=O)C2CC2C)=CC(Br)=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F958890>,2.2631,0.7775978450840475,3.328937532695586,0.5590516927246512
[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C],COC(=O)C1=CC(C2=CC=CC=N2)=NC(N3CCOCC3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958900>,1.1618,0.7870875993640826,2.274789222571373,1.6606487742490397
[C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][=Branch1][C][=O][C][N][=C][O][N][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(CC1=CSC=N1)C(=O)C=2N=CON=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F958970>,0.7983,0.7705883754797995,3.1574275731867427,0.6955143042122547
[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O],OCC1=CC=CC=C1OCC2=NOC(C3=CC=CC=C3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9589E0>,2.8079,0.7789663770230122,1.9387344392907302,1.956097445824331
[C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][Ring2][Ring1][C],CC1C(C(F)(F)F)=NN(CC(=O)N2CCNCC2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958A50>,0.2882000000000003,0.7895114038486643,3.624800535153935,0.3227564840893864
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][Ring2][Ring1][#Branch1],CC1=CC=C(C)C(C(=O)C(C#N)C2=NC(C3=CC=CN=C3)=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958AC0>,4.312020000000003,0.6671995505896426,2.851002843235168,0.4849949097130448
[C][O][C][=C][C][=C][C][Branch1][P][C][Branch1][Ring1][C][#N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C],COC1=CC=CC(C(C#N)CC2=CC=CC=C2OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958B30>,3.5536800000000026,0.831536909608348,2.4580188663107965,1.6996656817309432
[C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][Branch1][Ring1][C][C][C][Branch1][C][C][C][C][=C][Ring1][S][O][C],CCOC1=CC=C(C(=O)CCN(CC)C(C)CC)C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F958BA0>,2.9414000000000016,0.6209719155817687,3.88431272615737,-0.779453148248527
[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C],CC(C)C1=NC(CN(C)C(C)CC2=CC=C(F)C=C2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958C10>,3.395100000000002,0.8178180499288767,2.8062382032878688,1.2828520463565152
[O][=C][Branch1][=N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Ring1][N],O=C(CCOC1=CC=CC=C1F)NC=2C=NN(C3=CC=CC=C3F)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F958C80>,3.5581000000000023,0.7445135271210737,2.0690435438689487,1.6535240917364193
[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCOC(=O)C1=CC(C2=CC=CN=C2)=NN1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F958CF0>,3.1110000000000015,0.6935044554760523,1.9808959533406032,1.4866263240396584
[C][N][Branch1][S][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=Ring1][Branch1],CN(CCOC1=CC=C(F)C=C1F)NC(=O)NCC=2C=CSC=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F958D60>,2.7513000000000014,0.7616389218398919,2.535793027411703,1.2724015817877565
[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O],CCCCN(CCCC)C(=O)CC1CCN(C(=O)C2CC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958DD0>,3.4539000000000026,0.6521292489641237,2.1969698210507573,1.063676423769861
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][C],CC(=O)C1=C(C)N=C(C)N=C1SCC(=O)NCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F958E40>,1.52424,0.49735178056542617,2.3200586952226843,0.1667002076044466
[C][O][C][=C][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][C],COC1=C(C)C=NC(CNC(=O)C2=CC=CC3=CC=CC=C23)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F958EB0>,3.7902400000000025,0.7954918260047891,2.0456445686959004,1.931814561328045
[C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][=C][Ring1][=N][N],CCOC(=O)NC1=CC=CC(C2=NC(C)=C(C)O2)=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F958F20>,3.109040000000001,0.839780349486186,2.3774623688180103,1.8214393786129195
[C][C][C][C][C][C][Branch1][C][C][N][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][O][C][Ring1][S],CCCCC1C(C)NC2=CC(C(=O)N(C)C)=CC=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F958F90>,3.551300000000002,0.9103261292358934,3.265246763464818,1.2863838827146488
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][C][O][C][C][Ring1][=Branch1],CC(C)C(=O)N(CC1=NC=C(C2=CC=CC=C2)O1)C3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F964040>,3.505200000000002,0.8426946642940003,2.4149425029866727,1.7985308184833286
[C][C][Branch1][C][O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][N][C][=C][Ring1][N][Ring1][#C][C],CC1(O)CN2N=C(C(F)(F)F)C=C(N)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9640B0>,0.7114000000000003,0.6474192648601563,4.548880117696262,-1.3117837933954806
[C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O],CCN1C=NN=C1CNC(=O)C2=CC3=CC=CC=C3C=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F964120>,2.0867999999999998,0.7722628420250469,2.23682006048346,1.6244941496417749
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C],COC1=CC=CC(NC(=O)C2=NOC3=C2CCCC3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964190>,2.814300000000001,0.9327310590501325,2.1142457688662404,2.549409526384422
[O][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O],O=C(CNC1=CC=CC=C1)NCC2=NC=CC=C2C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F964200>,0.9088,0.7341109340137478,1.9981013127398626,1.6724533573288767
[C][C][C][=N][O][C][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2],CCC1=NOC(CN(C)C(=O)C2CCCN(S(C)(=O)=O)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964270>,0.2620000000000007,0.7682260720014044,2.9592279665676546,0.881902393439367
[C][C][C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C],CCCC(C)N(C)C(=O)NC(C)C(=O)N1CCCCC1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9642E0>,2.6059,0.8477958768883574,3.299179707325832,0.9397996771159551
[C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2],CN(CC1=CC=CN=C1)C(=O)C2(C3=CC=CC=C3)CCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F964350>,3.161900000000002,0.8616036124892338,2.115874389662938,2.1921436727832306
[C][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C],COC1=CC(C#N)=CC=C1OC(C)C(=O)NCCC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9643C0>,2.496480000000001,0.8371754866444802,2.4708414281936317,1.715036005028769
[C][O][C][=N][C][=N][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][Ring1][=C][C][Branch1][C][N][=O],COC1=NC=NC(NC2=CC=CC(C)=N2)=C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F964430>,1.0311199999999998,0.8496054309975462,2.441415852087651,1.8066113029000794
[C][C][N][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][Ring1][O][C][C][Ring2][Ring1][Ring2][=O],CCN1CC(C(=O)NCC2(N3CCOCC3)CCCC2)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9644A0>,0.6160000000000005,0.8054608710309652,3.060961725012074,0.9663426301427513
[C][C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C],CCCCN(C)S(=O)(=O)C1=CC=C(C)C=C1OC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F964510>,3.2028200000000018,0.7764679254269701,2.1500475805873727,1.7322920465474776
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(NC(=O)C2=CC=CC3=C2SCCC3=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964580>,3.626000000000002,0.939952599439914,2.135323357186758,2.5644396400128127
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C],CC(C)(C)NC(=O)NCC1=CC=CC(NC(=O)C2=CC=CC=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9645F0>,2.9316000000000004,0.807587725448628,1.9633189119119479,2.074619715331192
[C][C][=C][C][=C][N][C][=C][Branch1][P][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][N][=C][Ring2][Ring1][Ring2][Ring1][S],CC=C1C=CNC2=C(CSC3=NC=NC4=C3C=NN4C)N=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F964660>,2.1848,0.6950267540811353,3.666338501417526,-0.1912047310118492
[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C][C][Ring1][P],CC(=O)N1CCC(C(=O)NC2=CC=CC(CO)=C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9646D0>,1.2942200000000001,0.873826023293347,2.472448236940167,1.896681879526568
[C][C][Branch1][Ring1][C][#N][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][O][N][=Ring1][#C],CC(C#N)CNC(=O)C=1C=C(C2=CC=C(OC(C)C)C=C2)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964740>,3.0182800000000016,0.8852501262686698,2.7545570265855,1.6716936047578486
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],O=S(=O)(NCC1CCCO1)C2=CN=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9647B0>,1.6920999999999997,0.9308762344440451,2.5265660811649067,2.127815091055319
[C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][S][Ring1][P],CCC1=NN=C(NC(=O)CC2=CC=CC(F)=C2F)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964820>,2.5599000000000007,0.9378769753159565,2.1742007577480305,2.515184118831752
[C][C][=C][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Ring1][N][N][Ring1][S][C],CC=C1C=CC2=CC(S(=O)(=O)N(C)C)=CC=C2N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F964890>,2.3037,0.8332250027616904,2.863335821352571,1.3027891924558812
[C][C][Branch1][C][C][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][N],CC(C)CC(CO)NC(=O)NC1=CC=C(C(=O)N(C)C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964900>,2.225320000000001,0.751255586019758,2.617178531156748,1.139099398942042
[C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],CC1=CC(C#N)=CC=C1OC(=O)C2CCN(C3=CC=CC=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F964970>,2.8252000000000006,0.4951925491638729,2.714225241425215,-0.23826249560585033
[C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O],CC(NC(=O)C1=CC=CS1)C(=O)NC2=CC=C(N3C=NC=N3)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9649E0>,1.4808,0.7311409054996935,2.7491599551769355,0.9065445723215317
[O][=C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2],O=C(CC1=CC=CC2=CC=CC=C12)NCC3=CC=C(CO)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F964A50>,3.1910000000000016,0.7603404505817377,1.7007381656259568,2.1009640872827315
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(CCNC(=O)C2=CC=C(O)C(OC)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964AC0>,2.381900000000001,0.859383753217864,1.6323814217028847,2.664537344386435
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring2][Ring1][Ring2],CC1=CC=CC(NC(=O)C2=CC=CC=C2NS(C)(=O)=O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964B30>,2.01382,0.904154165037205,1.905098527593971,2.615672297592054
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],CS(=O)(=O)NCCNCC1=CC=C2C(=C1)OCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F964BA0>,0.05409999999999959,0.7158498901187357,2.1259330730507386,1.4533163775429396
[O][=C][Branch1][S][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F],O=C(NC1=NN=C(C2CC2)S1)NC3=CC=C(F)C=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002763F964C10>,3.3377000000000017,0.9125309407731453,2.152418267918911,2.410236435946816
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][#N][=C][Ring1][#C],CC(=O)NC1=CC=C(C)C(S(=O)(=O)NC(C)C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964C80>,1.1437999999999997,0.8641349785602396,2.7215381682900297,1.599136724511168
[O][=C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],O=C(CCC(F)(F)F)N1CCC2=CC=CC=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964CF0>,2.913800000000002,0.7973545608659572,2.072116656761146,1.9146561475686399
[C][#C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],C#CCNC(=O)NC(CC(C)(C)C)C1=CC=C(F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964D60>,3.235400000000002,0.814431475120353,2.8378368150287443,1.2343205605730203
[O][=C][Branch1][#C][C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CSC1=CC(Cl)=CC=C1Cl)NCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F964DD0>,3.7969000000000026,0.8496162256916618,1.9817157953914375,2.2663653330668714
[O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][=C][S][N][=N][Ring1][Branch1],O=C(NC1=CC=C(S(=O)(=O)C2CCCC2)C=C1C3)CSN=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F964E40>,2.955400000000002,0.8391159207606945,3.61753192261161,0.5780476811918627
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][O][=C][Ring2][Ring1][=Branch1],COC1=CC=CC(C2=NC3=CC=CC=C3N2CC(=O)NCCO)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964EB0>,1.8203999999999991,0.724702001774613,1.9628154126856696,1.6606945961873953
[C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O],CC1COCCN1C(=O)C2=CC=C(OCC3CC3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F964F20>,2.3363000000000005,0.8463094075784854,2.471558947282457,1.75998809060997
[C][C][=N][NH1][C][Branch2][Ring1][O][C][C][N][Branch1][P][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][O][Ring1][S][=N][Ring2][Ring1][Branch1],CC1=N[NH1]C(C2CN(CC(O)C3=CC=CC(F)=C3)CCO2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F964F90>,1.3591199999999997,0.8919679297692812,3.547398940644751,0.9124407082016548
[C][C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1],CCC(OC1=CC=CC(N)=C1)C(=O)C2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F961040>,3.3706000000000014,0.6628640835637095,2.717362840802677,0.5969575770158708
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],COC1=CC=C(C)C=C1NC(=O)CCN(C)C(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9610B0>,3.1991200000000015,0.9036998381317703,2.0053707944114123,2.5131283962474393
[C][O][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],COCC(=O)NC(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F961120>,2.896600000000001,0.793655822210812,2.306740358686092,1.661538752367968
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C],CC(=O)C1=CC=C(C)C(NC(=O)C2=CC(F)=CC=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961190>,3.8974400000000022,0.8693470340284263,1.6934646730637475,2.653270497078384
[C][C][N][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][C][=N][Ring2][Ring1][C],CCN1C=CC(C(=O)NC(C)(C)C(=O)N(C)C=N)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961200>,0.3978700000000009,0.5636256781025569,4.729549200127923,-1.9114208096151382
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],CCOC(=O)CN(C)C(=O)C1=CC=CC(O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961270>,1.0272999999999999,0.794044438840047,1.8982277858539334,2.0719944083463018
[C][C][=N][O][C][Branch2][Ring1][=N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=C][=N][Ring2][Ring1][#Branch1],CC1=NOC(CCC(=O)N2CCC(NC3=CC=C(F)C=C3)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9612E0>,2.5528200000000005,0.9109596328406933,2.1839404962977103,2.3708576679057565
[C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][N][=N][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][S],COC(=O)CSC(N1N=NC(C#N)=C1C(F)F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F961350>,1.4191799999999997,0.7586563018727381,4.0170992661420435,-0.2238177567783528
[O][=C][Branch1][N][C][C][O][C][C][C][C][C][O][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring1][#Branch2][C],O=C(CCOCC1CCCO1)NCCC2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9613C0>,2.5844000000000005,0.7507032737965711,2.5042082298130666,1.2493081391697887
[O][=C][Branch1][=Branch2][C][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1],O=C(CC1=CC=C[NH1]1)NCCC2=C[NH1]C3=CC=C(Cl)C=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F961430>,3.0508000000000015,0.6662583394672684,2.3749344148836187,0.9563572824527236
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][Ring1],COC(=O)C1=CC=CC(NCC2=CC=C(N3C=NC=N3)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9614A0>,2.0609999999999995,0.726511487901548,2.1996026891621234,1.4329547503456164
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][C][=N][NH1][C][=Branch1][C][=O][N][=Ring1][#Branch1][C][=C][Ring1][=C],CCOC(=O)C1=CC=C(NC=2C=N[NH1]C(=O)N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961510>,1.0851999999999997,0.7984145978166345,2.1852822768578513,1.8067907122253213
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Ring1][O][C],COC1=CC=C(C(C)NC(=O)C2=CC=C(F)C=C2F)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F961580>,3.4730000000000016,0.9170841336191553,2.2180977889481373,2.3673228791476397
[O][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=C(CC(F)(F)F)N(CC(F)(F)F)C1=CC=C(F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9615F0>,3.6734000000000018,0.7801866179455775,2.4818850261606684,1.4190480635672191
[C][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][S][C][Branch1][Ring1][C][O][C][O][C][C][=N][C][=N][Ring1][=N][C][Branch1][C][C][=N][N][=Ring2][Ring1][Branch1],CCC(N1C(=O)C=C2C(SC(CO)COCC=N)C=N2)C(C)=NN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961660>,0.5848700000000001,0.3190792462207374,5.590240782797736,-3.9948445516940483
[C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1],CN(CCC(F)(F)F)C(=O)C=1SC=NC=1C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9616D0>,3.044900000000001,0.8477874313501729,2.906074079838069,1.3328630769127958
[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][C][O][N][=Ring2][Ring1][Ring1],CC(=O)N1CCC2=C(C(C3=CC=CC(C)=C3)=NN2CCO)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961740>,1.58232,0.9027283914849638,3.0016231090477987,1.5120188483770196
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C],CC1=CC=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=N2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9617B0>,2.1307400000000003,0.8410782969218835,2.1691287839628455,2.0362627006465726
[C][=C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][Branch1][C][C][=C][Ring1][O],C=CCNS(=O)(=O)C1=CN=C(NC2CC2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961820>,1.4286200000000002,0.7648753286292518,2.4892097745005497,1.3351668686457092
[C][O][C][C][O][C][C][O][C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=N][C][Ring1][=C][C],COCCOC12COC(OC(=O)C(C)C)CC(C1)C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F961890>,1.9897999999999993,0.5519064456850346,5.1449515247132895,-2.385419296288117
[C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][P][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][#C],COC(=O)CC1=CSC(COC2=CC(C)=CC(C)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961900>,3.0544400000000014,0.794418477853932,2.160355081105722,1.8117373081639379
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Ring1],CC(=O)C1=CC=CC(NC(=O)C=2N=COC=2C3CCCO3)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961970>,2.9810000000000016,0.8777843409413354,2.90701104349073,1.481910661215947
[C][N][C][=N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][=N][Ring2][Ring1][C],CN1C=NC=C(C(=O)OC2=C(Cl)C=CC(Cl)=C2Cl)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9619E0>,2.871900000000001,0.517058237381126,3.336697760092566,-0.7514065731869359
[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][Ring2],CN1CCN(C(=O)C2CC(=O)NC3=CC(Cl)=CC=C32)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961A50>,1.5397999999999998,0.8560854133497,2.716136521860001,1.5642905448884985
[C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1][C],COC(=O)C1C=C(S(=O)(=O)NC2=CC=CC(C(C)=O)=C2)C=CC1=CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F961AC0>,2.820100000000001,0.6433147160072364,3.5186715016661374,-0.3020979216299553
[C][C][N][N][=C][Branch2][Ring1][C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1],CCN1N=C(C2=CC(C)=C(OC)C=C2CC3)CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F961B30>,3.819620000000003,0.8234771171599404,3.8302815115824718,0.28710407421723083
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2],CC(=O)NC1=CC=C(CCC(=O)NC2=CC=CC=C2C(N)=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961BA0>,2.3152,0.7593027857650247,1.6965758579509806,2.099938070874143
[C][C][C][C][C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][N][C][=Branch1][C][=O][N][C][Ring1][S][C][Branch1][C][C][C],C1CCCCC(C(=O)OCCNC(=O)NC1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F961C10>,2.0650999999999997,0.7167067425013495,3.716721848788489,-0.13318813628174153
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][=C],NS(=O)(=O)C1=CC=C(CCNC(=O)C2CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961C80>,0.4026999999999992,0.809841897757908,1.7194003553482737,2.329809133441266
[C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C],CCCNC(=O)CN(CC)C(=O)NC(C)C(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F961CF0>,0.020800000000001484,0.6920764274880955,2.7024558485593158,0.757926288881162
[O][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][C][C][NH1][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2],O=C(C1=CC(=O)[NH1]C2=CC=CC=C12)N3CCC=4[NH1]C=CC=4C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F961D60>,2.0547,0.720758280012506,2.5449774437252195,1.0588139563373105
[C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],CC(OC(=O)C1=CC=C(NC2CC2)N=C1)C3=CC=C4C(=C3)OCCO4,<rdkit.Chem.rdchem.Mol object at 0x000002763F961DD0>,3.345100000000002,0.8419912224633361,2.7678716147883087,1.4420844975283718
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][O][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(C=2C=C(C(=O)NCC=3N=CN(C)N=3)ON=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961E40>,1.4086999999999998,0.764953263670851,2.4823565561906165,1.3424097621636388
[O][=C][NH1][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][C][=C][Ring1][#C][C],O=C1[NH1]C(NCC2=CC=C(Br)C=C2)=NC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F961EB0>,2.4529200000000007,0.9138934353959256,2.1985127356867107,2.370954441292917
[N][#C][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][C][C][C][Ring2][Ring1][Ring2],N#CC1(CC(=O)N2CCN(C3=NC=CC=N3)CC2)CCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F961F20>,1.5992799999999994,0.8473191851627216,2.609725520648295,1.6268704051653131
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],COC(=O)CCCN(C(=O)C1=N[NH1]C2=CC=CC=C12)CC=CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F961F90>,2.700500000000001,0.5973400188072335,2.713986197655176,0.27271389638099164
[C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C],CCOC(=O)C1CCN(C(=O)C2=CC=CC=C2F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D040>,2.2410000000000005,0.7971724978177755,1.7439888723145138,2.241873616774364
[O][=C][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=N][O][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2],O=CC1=CC(CO)=CC=C1NCC2=NOC(C=3C=CSC=3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D0B0>,2.7150000000000007,0.6799900119117716,2.695022155263679,0.7049279042951788
[C][=C][C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O],C=CCC1C(=O)NCCN1C(=O)C2=CC=CC(N3C=CC=N3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D120>,1.3889999999999998,0.8678560773628128,3.0271498369001844,1.3121305499138796
[O][=C][Branch1][S][C][S][C][=N][C][=N][C][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring1],O=C(CSC1=NC=NC1C2CC2N3)CCOCC3C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D190>,1.2746999999999997,0.7923810206390777,5.530695322828134,-1.5687902196327452
[C][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(OCC(=O)NC2=CC=CC(=C2)C(=O)C=CN(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D200>,3.270520000000002,0.6217090260059751,2.0134116757370837,1.095133454292792
[C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][N][=C][Ring1][Branch2],CC(OC1=CC=CC(Cl)=C1)C(=O)NC2=CC=C(F)C(N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D270>,3.4673000000000007,0.8500779162628541,2.3161607497069667,1.934228831607304
[C][C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][Ring1][S],CC(O1)C=CC(C(C)C)=CC(C(=O)NC2CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D2E0>,2.1783,0.8318892296715887,3.8788202237558576,0.28062592460208613
[C][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=Branch1][C][=O][C][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring2][Ring1][Branch1],CCCOC1=CC=C(OC(=O)CC2=COC(C3=CC=CC=C3)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D350>,4.278500000000003,0.47558025407580784,2.048182321529646,0.329718948849393
[C][C][N][Branch2][Ring1][#Branch1][C][C][=C][S][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][=N][C][C][C][O][C][C][Ring1][=Branch1],CCN(CC1=CSC(C2=CC=C(OC)C=C2)=N1)C3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D3C0>,3.819600000000002,0.8053156490062423,2.282078234512296,1.744500010518916
[C][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Branch1][O][N][=Ring2][Ring1][C],C=1CC=C(C(=O)NCC2=NN=C3N2CCC3)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D430>,0.1304999999999994,0.8227793259529168,3.367314990578272,0.7465816391863118
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=C][Branch1][#Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N][=C][Ring2][Ring1][C],CC(=O)C1=CC=CC(N2C=C(CN3C=CN=C3C)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D4A0>,3.233120000000002,0.6878103863586627,2.3904943896629387,1.0485575421303746
[C][N][N][=C][N][=C][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][O],CN1N=CN=C1CSC2=NN=C(CC3=CC=CS3)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D510>,2.1427000000000005,0.671278616741494,2.7284805369311105,0.6279125467763595
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][Ring2][Ring1][Ring2][Cl],COC1=CC=C(N(C(C)=O)C2=NC3=CC=CC=C3N2C)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D580>,3.919900000000003,0.7313705593623036,2.306486407589219,1.350366389222299
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][Ring1][P][=O],N1C2=CC=CC(=C2)C(=O)N1C=CC3=C(Cl)C=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D5F0>,3.7936000000000023,0.9003201444582789,3.5960050864230713,0.9055956358683233
[C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N],CC(C)(C)NC(=O)NC1=CC=C(N2CCCC2=O)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D660>,2.7334000000000005,0.8714463834734335,1.9591121590278,2.3981197583393676
[C][C][=C][S][C][Branch2][Ring1][Ring2][C][C][N][C][=N][C][Branch1][Branch1][C][C][O][C][=N][C][=N][Ring1][#Branch2][=N][Ring2][Ring1][Ring1],CC=C1SC1CCNC2=NC(CCOC)=NC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D6D0>,1.8817,0.7604243322241474,3.7951942365562434,0.006927424564493467
[C][S][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][N][=C][Ring1][N][=C][Ring2][Ring1][=Branch1],CSC1=CC=C(C)C(C(=O)NC2=CC=C(N3C=CN=C3C)N=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D740>,3.858340000000002,0.7339796228619816,2.3020570121348154,1.3678411021750927
[C][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],CCCN1N=CC=C1NC(=O)C(C)SC2=CC=C(C)C(C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D7B0>,4.029240000000003,0.818299241745056,2.7035646374377684,1.3879315712875115
[O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F],O=C(NC1=CC=C(NC2=CC=CC=C2)C=C1CNC)CC(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D820>,4.040500000000002,0.7455738258996992,2.163652092164531,1.564217037333965
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(NC1=CC=CC=C1CN2C=NC=N2)C3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D890>,3.2321000000000017,0.8042920271076072,1.868707491802141,2.1527526437358953
[C][C][O][C][=Branch1][C][=O][C][C][C][C][=N][C][Branch1][C][N][=C][Branch1][Ring1][C][O][C][=C][Ring1][=Branch2][C][=Ring1][=N][N][C][=C][C][=C][Ring1][Branch1],CCOC(=O)C=1CCC2=NC(N)=C(CO)C=C2C=1N3C=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D900>,1.7263000000000002,0.8389227240087141,3.0491402463466146,1.145473373696956
[C][C][Branch1][C][C][N][N][=C][C][=C][C][Branch1][N][N][C][C][N][C][Ring1][Branch1][=O][C][=C][C][=N][N][=C][Ring1][#C][Ring1][=Branch1],CC(C)N1N=CC=CC(N2CCN3C2=O)=NN=C13,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D970>,1.1383999999999999,0.744814162115402,4.942039425739502,-1.217968615162492
[C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C],CC1=CC=C(NC(=O)CNC(=O)CC2=CC=CC=C2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F96D9E0>,2.6008400000000007,0.8907567393358301,1.5923772033406038,2.8614064933385466
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C],CCC(=O)NC1=CC=C(CNC(=O)C2=CC=CC(OC)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DA50>,2.973700000000001,0.8614572055643103,1.5931191812578565,2.7141668465636952
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N],CCOC1=CC=CC=C1OC2CCN(C(=O)OC(C)(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DAC0>,3.8636000000000026,0.8445844407174831,1.9823912152815257,2.2405309883058893
[O][=C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=N][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1],O=C(CN1C=CN=C1)NC2=NC=C3C(=C2)CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DB30>,1.4055,0.8847640057250021,2.4388807380383586,1.9849392905866523
[C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring2][Ring1][Branch2],CC1=NC(C2=CC=CC=C2)=C(C(=O)N3CCCC3C4=CC=CC=N4)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DBA0>,4.490820000000004,0.6997030350564406,2.707095929856802,0.7914192454254012
[C][N][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1][=O],CN1CCN(C(=O)C2=CC(C3CC3)=NN2C4=CC=CC=C4)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DC10>,1.6639,0.8627043277734602,2.3512637994651318,1.9622578394021692
[C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F],CC(=O)N1CCCCC1CCC2=C(F)C=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DC80>,3.2984000000000018,0.8225384580723428,2.6094295180723233,1.503262772289391
[C][C][C][=C][S][C][=Ring1][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][N][Ring1][#Branch1],CC=1C=CSC=1CCOC(=O)C2=CC=C3C(=C2)CCCN3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DCF0>,3.8141200000000026,0.8726409644239059,2.400815373269497,1.9623894488500326
[C][C][C][Branch1][C][C][Branch1][Ring1][C][#N][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][S][Branch1][C][C][=Branch1][C][=O][=O],CCC(C)(C#N)NC(=O)CC1=CC(C)=CC=C1S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DD60>,1.7495,0.8974039251163318,2.9824292088340467,1.5045904167476127
[O][=C][Branch2][Ring1][#Branch2][C][N][C][C][N][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring2][C][C][Ring1][=C][N][C][=N][N][=C][S][Ring1][Branch1],O=C(CN1CCN(S(=O)(=O)CC2CCC2)CC1)NC3=NN=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DDD0>,0.2240999999999998,0.7808265824485553,2.4947019031513484,1.4094310090914282
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][F],CC1=CC=C(S(=O)(=O)N2CCCC(C(N)=O)C2)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DE40>,1.0201200000000004,0.9046904781332217,2.4374419432338748,2.0860104474322334
[C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][N][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][#Branch1],C1OC=CC=CC1NC(=O)C2(NN=NC3=CC=CC=C3)CCCC2=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DEB0>,3.338700000000002,0.491092605482775,4.539529348612509,-2.0840663211986334
[C][=C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][C][C][C][O][Ring1][Branch1],C=CCN(CC1=CC=CC(OC(F)F)=C1)CC2CCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DF20>,3.455000000000002,0.6859773381002439,2.833418999043836,0.5964676914573834
[C][N][Branch1][N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl],CN(CCCN1CCOC1=O)C2=C(F)C=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F96DF90>,2.757600000000001,0.8342979849455406,2.532620206224083,1.6388697185036207
[C][O][C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][=N][=O][=C][C][=C][Ring2][Ring1][Branch1][C],COCC=CC(C(=O)NN=C(N1CCOCC1)C=CC)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F965040>,0.09610000000000074,0.24700732106529072,3.417555224082756,-2.182518618756302
[O][=C][Branch2][Ring1][Branch1][C][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1],O=C(CCSC1=NN=C(C2=CC=NC=C2)O1)NC3=CC=C(Cl)C=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9650B0>,3.3009000000000013,0.6728772752554305,2.34238137541859,1.0220050008585626
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][#Branch2][C][=N][C][=N][NH1][Ring1][Branch1][C][Ring1][N][=N][Ring2][Ring1][C],CC1=CC(C)=NCNCCCC(C2=NC=N[NH1]2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965120>,2.0036,0.8096448388841052,4.821657323125472,-0.7734331287049461
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1],C1C=CC=C(C)C1NC(=O)C(O)C2=CC=C(C)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F965190>,2.7278400000000005,0.8877658584369292,3.40032228794034,1.0385070042443063
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl],COC(=O)CCC(=O)C1=C(C)C=C(Br)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F965200>,3.546820000000003,0.6294902435759872,2.219174274148248,0.9282769437316878
[C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][S][C][=Ring2][Ring1][Ring1][C],CC=1C=C(C(=O)NC2=CC=CC(NS(C)(=O)=O)=C2)SC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F965270>,2.9887400000000017,0.9075971785754356,2.0586897742783243,2.479296118598854
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][C],CC(=O)NC1=CC=CC(NCC(=O)NC2=CC=CC(C)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9652E0>,3.0040200000000015,0.7942521036219925,1.7043456896929605,2.266914828417002
[C][S][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C],CSC1=CC=C(S(=O)(=O)NCC(=O)C2=CC=CO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965350>,2.1627,0.6533042733406558,2.2488221140727553,1.0176992526305235
[C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][N][Branch1][C][C][C][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2],COC1=CC=C2N=C(C3=CC=CC(NCC4=CC=CO4)=C3)N(C)C=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9653C0>,4.894700000000004,0.7042353371726691,2.7338394964047197,0.7873371894586256
[C][C][C][N][C][C][C][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=Ring1][#C][C][Ring2][Ring1][Ring1],CCCN1CCC=2N=C(NC(=O)C3=CC=C(F)C=C3)SC=2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965430>,3.3026000000000018,0.9402545390829129,2.11032995059335,2.5909427448212146
[C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],CC(=O)OC1=CC=C(N)C=C1COC(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9654A0>,2.551100000000001,0.5303308185586757,1.8609119385547253,0.7907421542386532
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F],COC(=O)C(C)OC1=C(F)C(F)=CC(F)=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F965510>,2.1833,0.4696289788210199,2.804418953459214,-0.4562740593541146
[N][N][C][=C][Branch2][Ring1][Ring1][C][C][O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][=N][N][Ring1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1],NNC1=C(CCOC2=CC=CC(C(N)=O)=C2)C=NN1CC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F965580>,1.9373999999999998,0.42445790965174846,2.3087248740790454,-0.1864353258203031
[O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][N][C][C][C][O][C][Ring1][Branch1],O=C(NC1=CC=CC(CN2C=CN=C2)=C1)C3CCOC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9655F0>,1.9063999999999999,0.9237716775600007,2.6105103917345254,2.0083479960654778
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],O=C(NC1=CC=C(Cl)C=N1)C2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F965660>,2.7585000000000006,0.9237028338668112,1.94140995984767,2.6771042094863855
[O][=C][Branch2][Ring1][#Branch2][C][C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][=Ring1][N][C][N][C][=C][N][=C][Ring1][Branch1],O=C(CC=1C=C(C2=CC=CC(Cl)=C2)OC=1CN3C=C)N=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9656D0>,3.656500000000003,0.8500826559110589,3.3894966973552467,0.8609165822000477
[C][O][C][C][N][C][=Branch1][=N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][S][C][=Ring1][=N][C],COCC=1N2C(=NN=C2C3=CC=CS3)SC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F965740>,2.974120000000001,0.7305862456125178,2.872712107743226,0.7802191203193631
[O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(CNC(=O)C1CCCC1)NC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9657B0>,2.0705999999999998,0.8742877516595683,1.644530994806571,2.726907763491271
[C][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][O][Ring2][Ring1][=Branch1],CC1=CC=C(C(=O)N2CC(C(=O)NC3=CC=NC(C)=C3)CC2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965820>,2.39224,0.9438003598179839,2.635844264011535,2.083157535078385
[C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][C],CC(=O)NC1=CC(NC(=O)C2=CC3=CC=CC=C3O2)=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F965890>,3.951920000000002,0.7692254891787206,1.8460671102519406,2.0000603356416624
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2],CC1=CC=CC=C1C(C)NS(=O)(=O)C2=CC=C(C(N)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F965900>,2.13342,0.884753049974604,2.2671833511830375,2.156581898689983
[C][C][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C],CCCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965970>,0.0834000000000017,0.6763216027743594,2.5897289990438352,0.7918790148279617
[C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C],COC1=CC(C(=O)N(C)CC2=CC=CS2)=CC(OC)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9659E0>,3.046100000000002,0.8203248224452199,2.0035977581955855,2.098026354030514
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1],CC(=O)N1CCC2=CC(C(=O)N(C)CC3=CC=CO3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F965A50>,2.4608000000000008,0.8743840134049216,2.174404746764921,2.1975153202596864
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][Ring2],CC(=O)C=C1C=CC(NC2=NC3=NON=C3N=C2N4CCCC4)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965AC0>,1.9939999999999998,0.8528923775142632,3.341569287506502,0.9228926000648139
[C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][O][C],COC1=CC=CC(NC(=O)C2=CC=C3C(=C2)CC(=O)N3C)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F965B30>,2.4750000000000005,0.9370929908052481,2.0931855020382386,2.592279451988002
[N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#C][=Ring1][Branch1][C][C][C][Ring1][=Branch1],NC1=NC(C2=CC=CC=N2)=NC=3SC4=C(C1=3)CCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F965BA0>,2.8242000000000003,0.7367318504194071,2.3455404270410014,1.3381188250560343
[C][C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],CC(OCC1CCCN1C(=O)NC2=NC=CS2C3)CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F965C10>,3.3716000000000026,0.664920811128794,5.1739369306228395,-1.8493328749788698
[C][C][=C][C][Branch1][C][Cl][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][Branch1][C][C][C][O][C][=C][Ring1][P][C],CC1=CC(Cl)=C(NC(=O)NC(C)C(C)CO)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F965C80>,3.0952400000000013,0.7955202750645175,2.9721746808286653,1.0054266944939223
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C][N],CC1=CC=CC=C1C2=NOC(C(=O)NCC3=CC=CC=N3)=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F965CF0>,2.557219999999999,0.7721873342807436,2.3474593533934147,1.5134773180103034
[C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1],CC1=CC(S(C)(=O)=O)=CC=C1NCC2=CC(C)=C(C)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F965D60>,3.6889600000000025,0.9366654728043059,2.2334850261606682,2.4498423378608614
[C][C][O][C][=C][C][=C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][NH1][C][Ring1][S][=C][Ring2][Ring1][Branch1],CCOC1=CC=CN=C(SCC(=O)N2CCOCC2C)N[NH1]C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F965DD0>,1.3784999999999998,0.7961540226875223,4.444606838805325,-0.46383672536771314
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],CC1=NOC(C)=C1CC(=O)NCC2=CC=CC(C(F)(F)F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F965E40>,3.1691400000000014,0.9432012107615748,2.084727972571372,2.631278081236502
[O][=C][Branch1][P][C][S][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch1][=Branch2][C][C][C][C][C][Ring1][Branch1][O][C][C][Ring1][N],O=C(CS(=O)C1=CC=C(Cl)C=C1)N2CCN(C3CCCC3O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F965EB0>,1.5052,0.8722323691374857,3.412558855330998,0.9486029903564308
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][Cl],COC1=CC=C(NC(=O)C=C2C=C(C(C)C)N=C2C)C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F965F20>,3.0786000000000016,0.6407986043684758,4.413461671108613,-1.2094686492662339
[O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring2][Ring1][C][Ring1][Branch2],OCC1=C(C2=CC=C(F)C=C2)N=C3SC(C4CC4)=NN13,<rdkit.Chem.rdchem.Mol object at 0x000002763F965F90>,2.9666000000000006,0.8061819190522426,2.5623749047031783,1.4685346905580348
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F],CC1=CC=C(S(N)(=O)=O)C=C1C(=O)NC2=CC(Cl)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F955040>,2.687220000000001,0.8982255478964349,1.856027920420134,2.6350998190620407
[N][#C][C][C][=N][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][#C],N#CCC1=NN=C(NC(=O)CC2CCCCC2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9550B0>,2.5130800000000004,0.9058508563152794,2.449599449660555,2.0796548319158417
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][N],CCNC(=O)C1=CC=CN=C1NC2CN(CC(=O)NC(C)C)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955120>,0.8421000000000005,0.6883889333755313,2.683507172268735,0.7584374946089216
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][#C][C][C][O][=N][C][C][C][=C][C][Ring1][N][=Ring1][=Branch1],CC(=O)C=CC=CC=C(C#CCCO)N1CCC=CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955190>,2.2194000000000003,0.3606281790917507,3.7494688318286844,-1.9463279363699308
[C][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=Ring1][N][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N],CC=1C=NN(C2=CC=CC=C2Br)C=1COC(=O)C(C)N,<rdkit.Chem.rdchem.Mol object at 0x000002763F955200>,2.33362,0.868992720928407,3.0357727124646416,1.3091908921773934
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N],CC1=NOC(C)=C1C(C)C(=O)N2CCOC(C3=CC=CC=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955270>,2.9950400000000013,0.8737113890049609,3.1523916877927753,1.2161652572320296
[C][C][=C][C][Branch1][C][C][=N][C][Branch1][=N][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][=N][Ring1][#C],CC1=CC(C)=NC(N2CCCC(CO)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9552E0>,1.3021399999999999,0.8175533174597394,2.6301592385753825,1.4576073487233145
[C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][O][N][=N][N][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],CC(C)CC(=O)C1=C(CO)N=NN1C2=CC=CC3=CC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F955350>,3.141600000000002,0.7351872704995597,2.5637643883584484,1.1121719641393497
[O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O],O=C(NC1=CC=NC=C1)C2=NC(C3=CC=CC=N3)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9553C0>,2.852400000000001,0.8017348096417389,2.168295456408387,1.8403785918003077
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][C][=C][N][N][=N][N][=C][Ring1][Branch1][C][=Ring1][=Branch2],O=C(NCC1=CC=CS1)C=2C=CN3N=NN=C3C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955430>,1.1158000000000001,0.7646006224052853,2.4784363258467774,1.3445667861796489
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][C][Ring1][#C],CCCS(=O)(=O)N1CCC(NC(=O)C2=CC(Cl)=C[NH1]2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9554A0>,1.6020999999999996,0.8582989481823633,2.4613438856841583,1.8301508552276582
[C][N][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S][=O],CN1CC(=O)N(CC2=CC=C(Cl)C=C2Cl)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F955510>,1.7939999999999996,0.8318046091817644,2.2634411716748026,1.8955818742340194
[N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][C][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][S],NC1=CC=C2C(=C1)N(CCCC#N)C3=CC=CC=C3N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955580>,3.767680000000002,0.6539458522408537,2.418433832526718,0.8512954286775503
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=C(NC1CCN(C2=NC=CC=N2)CC1)C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9555F0>,2.0145,0.9418806925901998,1.9663877802636787,2.7430156826873207
[C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][S][Ring1][Branch2][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],CN(C(=O)C1=CC(C(N)=O)=CS1)C2=CC=CC3=NC=CC=C23,<rdkit.Chem.rdchem.Mol object at 0x000002763F955660>,2.671800000000001,0.807624879065249,2.4119578485018938,1.6261665468243516
[C][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][N][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],CN1CCN(C(=O)C=2C=CC3=NN=CN3C=2)C4=CC=CC=C41,<rdkit.Chem.rdchem.Mol object at 0x000002763F9556D0>,1.8258999999999996,0.6866226298257881,2.5204913860329103,0.9126217630960305
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=N][C][Branch1][C][N][=C][C][=C][N][=C][N][Ring1][=Branch2][Ring1][Branch1],CC1=CC=C(Cl)C=C1NCCC=NC(N)=CC2=CN=CN2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955740>,3.20162,0.5661454829480377,3.2880574665860154,-0.457330051845827
[C][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1][C][C][C][Ring1][Ring1][O][Ring2][Ring1][Ring2],C1CC=CC=C1CN(C(=O)NC2=NC(C)=C(C)O2)C3CC3O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9557B0>,2.534940000000001,0.8956326260282147,4.1528952836460125,0.3252678464950609
[O][=C][Branch2][Ring1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(CSC1=N[NH1]C(=O)N1C2CC2)NC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F955820>,2.2904999999999998,0.8269649230219628,2.12257843138393,2.0122461837258836
[C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=C][Ring1][=N][C][=N][Ring2][Ring1][=Branch1],CC1=CC=C(C(=O)NC2=CC=C(C=3C=CC(=O)[NH1]C=3)C=C2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955890>,2.9976200000000004,0.7808279537645787,1.998557255491317,1.9055825133315767
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring2][Ring1][C],CC1=CC=CC=C1N2CCN(C(=O)CN(C)C3=CC=CC=C3F)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955900>,2.9191200000000013,0.8554881625622395,2.007649502698852,2.2697913101123453
[O][=C][Branch2][Ring1][Ring1][N][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O],O=C(NCC1=NOC(C2CC23)=N1)C=C(N4C=CC=N4)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F955970>,1.0966999999999996,0.8465333215256345,5.636378751567765,-1.4037121439395923
[C][O][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2],COCCNC(=O)CC1=CC2=CC(Cl)=CC=C2O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9559E0>,2.3913,0.8465684610666739,2.1536715345892006,2.0791707707441693
[C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Br][O][Ring1][P],CC1=CC=C(S(=O)(=O)NC2=CC=C(N)C=C2Br)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955A50>,2.7335200000000004,0.8470609156296005,2.3698700570751168,1.8654345210728858
[C][C][=C][C][=C][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][O][Ring2][Ring1][C][Ring1][=N],CC=C1C=CCOCCN(C(=O)C2=CC=CO2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955AC0>,2.2286,0.7895875219834458,3.41595228806146,0.5319853218557693
[C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Branch1][C][N][N][Ring1][=C][C][=Ring1][P][C],CCOC(=O)C=1SC2N=C(C3=CC=C(C)C=C3)N=C(N)N2C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F955B30>,2.1969200000000004,0.8594646519127086,3.607804622739346,0.6895186368241966
[C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][Ring2][Ring1][C][=Ring1][=N],COC(=O)C=CN=CC1=CC(C2=CC=NC=C2)=NC=CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955BA0>,2.4720000000000004,0.48359098374925846,3.6544960794485624,-1.23654116070227
[C][C][O][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O],CC1OCCC1C(=O)NC2=CC=C(C)C(S(C)(=O)=O)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955C10>,1.76202,0.92246539928679,3.104947789105843,1.507379207328107
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][N][=N][Ring2][Ring1][Ring2],CC1=CC=C(C(=O)N2CCCC2C=3C=C(C)OC=3C)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955C80>,2.9721600000000015,0.8507996143093705,3.0041365218600014,1.2498615496868508
[N][#C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][=C][Br],N#CC1=CC(NC(=O)C2=CC=CO2)=CC=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F955CF0>,3.166080000000001,0.9237475140225677,2.13071850491748,2.488019065195358
[C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1],CCC(=O)N(CC1=CN=C2C=CC=CN12)CC3CCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F955D60>,2.2519,0.8471183102945693,2.9671282802544283,1.268463271218418
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],CN(C)C(=O)C=1OC=CC=1CS(=O)(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F955DD0>,1.9553,0.8638465917369507,2.263191319866962,2.056041638817791
[C][C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Branch1][C][C][C],CCCOC1=CC(CO)=CC2=C1OCC(=O)N2C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F955E40>,2.1014999999999997,0.8964269434464649,2.6349882429438853,1.8471464742884391
[C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][C],COC1=CC=C(Br)C(C(=O)NC2=CC=C(N)C(F)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F955EB0>,3.431300000000001,0.8423833208296628,1.8644271240627663,2.3474894800855477
[O][=C][Branch1][S][N][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],O=C(NCC1=NN=C2C=CC=CN12)N3CCCC3C4CCCCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F955F20>,2.983600000000002,0.9424737725200845,2.845787879243071,1.866580983357352
[C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C],CCNC(=O)COC1=CC=C(Cl)C=C1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F955F90>,2.9783000000000017,0.8785267031425276,1.834451197225171,2.558182318487467
[C][C][N][C][=Branch1][C][=O][N][C][N][=C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][N][=Ring1][S],CCNC(=O)NC=1N=CN(CC2=NC(C3=CC=CS3)=NO2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C040>,1.5793000000000001,0.7383698236793004,2.56292119372522,1.1289279246712818
[O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],O=C(C1=CC=C(F)C=C1N)N2C=NC3=CC=CC=C3C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C0B0>,1.8063,0.6907557315851705,2.240836319258767,1.2129423386670855
[C][N][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][Branch1][C][C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F][=N][Ring1][S],CN1C=CC(NC2=C(C)C=C(F)C(F)=C2F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C120>,2.8894200000000003,0.81914123536751,2.598509056756944,1.4971971200806067
[C][O][C][=C][Branch1][#Branch2][O][C][C][C][C][C][Ring1][Branch1][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][P],COC1=C(OC2CCCC2=O)C3=CC(Cl)=CC=C3O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C190>,3.595200000000002,0.8618523580302773,3.253759706751569,1.0555020833998174
[C][=C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1],C=CCN(C(=O)CCC1CCCC1)CC2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C200>,3.566600000000003,0.7109492010051925,2.242833567274726,1.3119124377512366
[C][C][C][=C][Branch2][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O],CCC=C(NS(=O)(=O)C1=CC=C(Cl)C=C1NC(=O)C2CC2)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C270>,2.2628000000000004,0.7212764996577309,2.770347040372446,0.8360354579162084
[C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl],CCOC(=O)N1CCCCC1C(=O)NC2=NC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C2E0>,2.6845000000000008,0.931278855180287,2.5273524279877737,2.129041847913661
[C][#C][C][N][C][Branch1][S][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][C][=C][C][=C][C][=N][Ring1][=Branch1],C#CCNC(C=1SC2=CC=CC=C2C=1Cl)=CC=CC=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C350>,4.324170000000003,0.48125104247786293,3.4004461597639066,-0.9941909473745918
[O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][S][C][C][O][C][C][Ring1][=Branch1][C][O][C][C][C][C][Ring1][Ring1][C][C][Ring1][P],O=C(C1=CC=NC=C1)N2CCC3(CCOCC3COCC4CC4)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C3C0>,2.767100000000001,0.8241107093340092,3.6781739217456018,0.4423796249244445
[C][C][C][=N][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][=C][S][Ring2][Ring1][Ring2],C1CC=NC(CC(=O)NC2C=C(Br)C(=O)[NH1]C2=O)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C430>,0.3302999999999999,0.7213015009528576,4.867544846285849,-1.2610373415215612
[C][C][=C][C][=C][Branch2][Ring1][S][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2],CC1=CC=C(CN(C(=O)C2=CC=C(N3C=CN=C3)C=C2)C(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C4A0>,4.231520000000003,0.7005695957758543,2.0640813553532418,1.4387666235260297
[C][O][C][=C][C][Branch2][Ring1][Branch1][C][NH1][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=N][O][C],C1OC=CC1(C=2[NH1]C(C)=C(C)C=2C(N)=O)OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C510>,1.1160400000000001,0.8250290866945669,4.118870321656236,0.006275111816598233
[O][=C][Branch1][P][C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring1][#Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(C=1C=C(C2=CC=CS2)ON=1)NC3=NC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C580>,3.703800000000001,0.8007571013626583,2.289507042075787,1.7142784647375047
[O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][C][Ring1][O],O=C(C1=CC=CN=C1)NC2CCC(N3C=NN=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C5F0>,0.9817999999999996,0.8998571755107997,2.383401323422728,2.115884554131271
[C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2],CC=1C=CSC=1C(=O)N2CCC(C)(O)C(O)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C660>,1.0143199999999999,0.7872055001927641,3.3491896569373463,0.5868378440264745
[C][C][Branch1][C][C][C][C][=N][C][=C][C][=Branch1][#Branch2][=N][S][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][Ring1][=Branch2][Br],CC(C)CC=NC=C1C(=NSC=CF)C=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C6D0>,4.809500000000003,0.5274003570567741,4.808180820793092,-2.1711790355092218
[C][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C],CCC(CC)(CO)NC(=O)C=1C(C)=N[NH1]C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C740>,1.30744,0.7245641280001348,2.747958889532864,0.8748617504678102
[C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1],CN1N=CC(Br)=C1C(=O)NC2CCCCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C7B0>,2.635200000000001,0.8535358460908504,2.226955043379018,2.0407241870752344
[C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br],CCC1CCCCN1C(=O)NC2=CC=C(C)C=C2Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C820>,4.553920000000004,0.8496323962074831,2.4607113758371995,1.787450605200216
[C][C][O][C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=N][Ring1][Branch1][C][Ring2][Ring1][Branch1],CCOCC1CCCN(C(=O)C(CC2=CC=CC=C2)N3C=NN=N3)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C890>,1.7319999999999998,0.7654264486797846,3.1697540061467535,0.6573782372521695
[C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][C][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][=N][O][Ring2][Ring1][=Branch1],CC1=CC(NC(=O)C=CC=C(NCCC=2C=N[NH1]C=2)C=C)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C900>,2.10302,0.5121912145679466,3.2983313813654416,-0.7373753085257087
[C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(C(=O)NC2=CC=C3C4=C(C(=O)[NH1]C3=C2)CCC4)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C970>,3.277700000000002,0.7720343567888526,1.985616620792026,1.8745551631522366
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][O][C],COC1=CC(OC)=C(NC(=O)C2=CC=CC=N2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F94C9E0>,2.3597,0.9142600833312445,1.7658381445521165,2.805462272104106
[C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O],CCC(CC)(NS(=O)(=O)C1=CC=CC(C)=C1)C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CA50>,1.31742,0.8252046945260447,2.436847405062979,1.689176067567245
[O][=C][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][N][C][=C][C][=C][S][C][Ring1][=Branch1][=O],O=C(CC1=CC=C2C(=C1)CCCC2)NC3=CC=CSC3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CAC0>,3.1683000000000012,0.9459476210288388,2.2842648058041757,2.4454732993400183
[C][C][N][Branch1][Branch1][C][C][C][#N][C][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2],CCN(CCC#N)CC1=NC2=CC=C(Br)C=C2[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CB30>,3.0609800000000007,0.9233789771191423,2.4424045662634075,2.174490319332304
[C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CC=1[NH1]C(=O)[NH1]C(=O)C=1CCC(=O)OC2=CC=C3C=CC=CC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CBA0>,2.06302,0.5674391292753487,2.2225108582886612,0.6146847880880824
[C][O][C][=C][C][=C][Branch1][P][C][N][=C][C][=C][Branch1][C][C][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C],COC1=CC=C(C2N=CC3=C(C)N=CN=C32)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CC10>,2.3241199999999997,0.8577214254376319,3.271601862262214,1.0170052649259453
[C][C][N][=C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][O][C][=Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][Ring1],CC=1N=C(C2=NC=C[NH1]2)OC=1COC(=O)C=3N=COC=3C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CC80>,2.5955200000000005,0.7210389337351388,3.282498514232575,0.3226961544431193
[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C],CC(C)(C)C(=O)NC=C1C=CC(S(=O)(=O)NCC2=CC=CO2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CCF0>,2.1989,0.8625897656125567,3.106436476270537,1.206512351792246
[C][C][=C][C][=N][C][Branch1][#C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][NH1][Ring1][Branch1][=C][Ring1][S][C],CC1=CC=NC(NC(=O)CSC2=NC=N[NH1]2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CD60>,1.54734,0.8175631649301669,2.5380733445439514,1.5497424801068833
[C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O][C][=C][Ring1][S][C],CC1=CC=C(C(O)C(=O)NC(C)(C)CO)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CDD0>,1.2239399999999998,0.7534083835439006,2.704670706403908,1.062371211315595
[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][NH1][C][=Branch1][C][=O][C][=Ring1][P],COC(=O)C=1C=C(C2=CC=C3C=CC=CC3=N2)[NH1]C(=O)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CE40>,2.3766999999999996,0.7314372083864602,2.1757890050475535,1.4813970368847476
[C][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][N][Ring1][#Branch1],CCNC(=O)N1C=C(C)OC2=CC=C(F)C=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CEB0>,2.6153000000000013,0.8139074237054362,3.0140610171924376,1.0554761013347438
[C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1],CCC(=O)N1CCCN(C(=O)NC(C)C=2C=C(C)OC=2CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CF20>,2.822820000000002,0.9271139870857599,3.269425261475609,1.3661446739531904
[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C],CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N2CCOCC2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94CF90>,0.50332,0.8608072362288272,2.6441906611825914,1.6598455199615447
[N][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Ring2][Ring1][C],NC(=O)N1CCCC(C(=O)NC2=CC=CC(C(N)=O)=C2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946040>,0.5146999999999994,0.7522439516041592,2.381020431404579,1.380199326616217
[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][Ring1],O=C(NC1=CC=CC(F)=C1)N(CC2=CC=CO2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9460B0>,3.6152000000000024,0.925183760185145,2.038570046403583,2.587348754522142
[C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1],CCN1C(CC2=CC=CC=C2)=NN=C1SCCC3=CC=NC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F946120>,3.6186000000000025,0.6226864222713984,2.1214465603041504,0.9919855510528413
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][Ring1][=Branch2][C][=C][Ring1][P],CC(C)OC1=CC=C(C(=O)C2=CC=C(C(N)=O)N=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946190>,1.5937000000000001,0.8416402511488639,2.193210729185484,2.014990526558835
[C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring2],CCC1=C(C)NN=C(SCC(=O)OC(C)(C)C)C=CN=CN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946200>,2.751100000000001,0.7808542724913853,4.0977602742599615,-0.19348891180303518
[C][O][C][=C][C][=C][Branch2][Ring1][=C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(OS(=O)(=O)C2=CC=CC(C(=O)N3CCCC3)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946270>,2.698900000000001,0.7658124322798364,1.8850135330347157,1.9440486283644662
[C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2],COC1=CC=C(F)C=C1NC(=O)C2=CC=C3[NH1]C=NC3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9462E0>,2.9629000000000003,0.7771133623374051,1.9960082358167845,1.8895585758702413
[N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][Cl],NC(=O)C1=CC(NC(=O)CC2=CC=C3C(=C2)CCO3)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F946350>,2.5550000000000006,0.9035389808318108,2.016432317352532,2.501262586806522
[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C],COC1=CC=C(CNC(=O)C=2C=CN(C3=CC=CC=C3)N=2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F9463C0>,2.8195000000000006,0.7510769720161558,1.866568543868949,1.8888163162118299
[O][=C][Branch1][=Branch2][C][C][C][=C][C][Ring1][Branch1][N][C][C][C][C][Branch1][=C][C][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C],O=C(C1CC=CC1N2)CCCC(C3=NC4=CN=CC=C4[NH1]3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F946430>,2.3288,0.7923849478173414,4.453090558110512,-0.4911658190238053
[C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][Branch1][Ring1][C][O][C][O][Ring1][Branch2],CC(C)(C)N1N=NN(C2=CC=CC=C2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9464A0>,1.1839999999999997,0.7219450471254122,2.3614876361874924,1.2482375994395687
[C][N][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F][=N][Ring1][P],CN1C=CC(NS(=O)(=O)C2=CC=C(Cl)C=C2F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946510>,2.0134,0.9399587358762462,2.2277689581740177,2.4720247212072133
[C][C][=N][NH1][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][P],CC1=N[NH1]C(SCC(=O)N2CC(C)OC(C)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946580>,0.8410199999999999,0.8241710088510427,3.5681482402191396,0.5527068040360739
[C][N][C][C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][N][C][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][C][Ring1][=C][C][C][Ring2][Ring1][C][=O],CN1CC2(CCCN(CC3=N[NH1]C(=O)[NH1]3)CC2C)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9465F0>,-0.21169999999999956,0.7335223693305147,4.446163955263296,-0.7785521086107225
[C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][N][N][N][=N][N][=C][Ring1][Branch1][N][C][=C][Ring1][=C][=C][NH1][Ring2][Ring1][Ring1],CC1=NC(C2=CC=C(CNN3N=NN=C3N)C=C2)=C[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946660>,0.6975199999999995,0.6432500568632088,3.0242293232428974,0.1920209610731467
[F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][P][C][=C][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][O][Ring1][#Branch2][C][O][Ring1][#C],FC1=CC=CC(=C1)C(C2=CC(C=3C=CSC=3)=NO2)CO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9466D0>,3.6664000000000025,0.796860947105319,3.0302270891224676,0.9540776464041274
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][=C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],O=S(=O)(NCC1=CC=NC(OC2CCC2)=C1)C3=CC=C(F)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F946740>,2.6305000000000014,0.880392656125039,2.1216630865833004,2.280300194041895
[C][N][C][=C][N][=C][Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],CN1C=CN=C1CNS(=O)(=O)C2=CC=CC=C2C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9467B0>,1.9174,0.9362334564656714,2.274320543509093,2.4068467388192634
[C][C][=C][C][Branch1][N][O][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][Ring1][=N][O][C],CC=C1C(OCCC(C)(C)C)=CC(Br)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F946820>,4.535900000000004,0.758921015053162,3.377380427994403,0.4172246472714072
[C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1],CN(CC1=NC2=CC=CC=C2[NH1]1)C(=O)C3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F946890>,3.1016000000000012,0.9321587154046422,2.0568916574604046,2.603901919562807
[C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][=N][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][N],CC(NC(=O)C1=CSN=N1)C2=NOC(CC3=CC=CC=C3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F946900>,2.0029000000000003,0.7737068568336274,2.963257197336885,0.9052770868312519
[C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C],CC=CC(C1)=C2C(=O)N(C)C(=O)N(C)C2=NN1C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F946970>,-0.540499999999998,0.697782938690996,3.6809487952573443,-0.19203410180236435
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O][C][Ring2][Ring1][C],CN(C)C(=O)C1CCCN(C2=NC=NC3=C2C=NN3CCO)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9469E0>,0.12319999999999937,0.861633963713094,2.9882970450766244,1.3198727734888456
[C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring2][Ring1][Ring2],CC1NC(=O)C(C2=CC=CC=C2)OC3=CC=C(OC)C=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F946A50>,3.0061000000000018,0.9213143189852177,2.99277151158247,1.6138000833436186
[O][=C][C][C][N][Branch1][=C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][C][C][N][Ring1][S],O=C1CCN(CC2=CC(Cl)=CC=C2F)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946AC0>,1.801,0.8752598397197271,2.0755963895328637,2.300702809065772
[C][=C][C][N][C][Branch1][=Branch1][S][C][C][C][#N][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F],C=CCN1C(SCCC#N)=NN=C1C2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F946B30>,3.2759800000000023,0.46484012013017345,2.401140086889413,-0.07693948623854574
[C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][C][=N][N][Ring2][Ring1][Ring1][C],CC(=O)CC1=C(C2=CC=C(NC(=O)C3=CC=CO3)N=C2)C=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F946BA0>,2.4589,0.7783489229670231,2.5936549759357206,1.2980896388993948
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][#C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=N][Ring1][Branch2][C][Ring1][=C][N][=N][Ring2][Ring1][Ring2],CC1=CC=C(N2CCCC(C3=CC(=O)[NH1]C(C)=N3)C2)N=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946C10>,1.5607399999999996,0.9060237978343262,3.197773614428452,1.3323453747431788
[C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1],CCC(CNC(=O)C1=CN(CC(=O)N(C)C)N=N1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F946C80>,1.2899,0.8299145004393841,2.760528986275622,1.3890435159212986
[C][C][=C][S][C][Branch2][Ring1][Ring1][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1][=N][Ring1][S],C1C=CSC1N2N=C(C)C=C2C3=NC=CS3=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F946CF0>,2.952790000000001,0.8925112032799123,5.33761123908191,-0.8750552226823478
[C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=N][N][=C][Ring1][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][C][C][=C][Ring2][Ring1][=Branch1],C1=CC=C(N2N=NN=C2C3OC4=C(Cl)C=CC=C4C3C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946D60>,3.552900000000002,0.7258501510513773,3.2420828348755197,0.3871679203813665
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][S][Ring2][Ring1][Ring2],CCC1=CC=C(S(=O)(=O)N2CCN(C3=CN=CC=N3)CC2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946DD0>,1.6114000000000002,0.8472428916950548,2.3375255549889555,1.8986889034863186
[O][=C][Branch1][N][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2],O=C(CCCC1=CC=CC=N1)N2CCC3=CC=CC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F946E40>,2.989200000000002,0.8623183435764603,1.9533644641046255,2.3582272537776756
[C][C][=Branch1][C][=O][C][=C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][Ring1][#C],CC(=O)C1=CN(CC2=CC=C3C(=C2)CCO3)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946EB0>,2.0688999999999997,0.7738185271965758,2.497621639009667,1.371470996973212
[C][O][C][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2],COCCCNC(=O)COC1=CC(C)=CC(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946F20>,1.8349399999999991,0.752119247154295,1.8211523490688393,1.9394438867026356
[C][N][C][=N][N][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Ring1][#C][C][C][Ring2][Ring1][Branch1],CN1C=NN(C2CN(C(=O)C3=CC=C(C(N)=O)C=C3)C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F946F90>,-0.1993999999999989,0.8380595499281083,2.933559927174146,1.2567378224663948
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][N][=N][Ring1][=C][=C][Ring2][Ring1][Ring2],CC1=CC=CC(C2=NC=C(C(=O)N3CCCC3)C(N)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942040>,2.27022,0.9167813663234997,2.081270543509092,2.5026362881084063
[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][Cl],COC1=CC=C(S(=O)(=O)NC2=CC=C(OC)N=C2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9420B0>,2.553000000000001,0.9122851642824805,1.958095875074081,2.603329946338322
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2],COC1=CC=C(S(=O)(=O)NCC2=CC=C3C(=C2)CCC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942120>,2.6624000000000008,0.9222015699684217,1.8382794011428025,2.772728448699306
[C][O][C][C][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][=N],COCCNC(=O)CN1N=NC(C2=CC=C(F)C(C)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942190>,0.5502199999999999,0.7865606860591913,2.216800334904139,1.7160030953918173
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][#C][=O],COC1=CC=C2C(=C1)CCN(CC3=CC=C(C)C=C3)C2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F942200>,3.2021200000000016,0.8643487716146974,1.8256451588937086,2.496098699179778
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1],NC(=O)C1=CC=C(COC(=O)CC2=CC=C(C(F)(F)F)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942270>,3.090200000000001,0.8525867741998344,1.857752384409599,2.405181486589573
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][=C][Ring2][Ring1][Ring2],CC1=CC=C(C)C(C(=O)N2CCC(O)(C(F)(F)F)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9422E0>,2.832840000000001,0.8662698275859094,2.3946732907618404,1.9366758471677068
[C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1],CN(CC1=CC=C2C(=C1)OCCO2)C(=O)NCC3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F942350>,2.1944,0.939641821480178,2.1175342620668314,2.580674845334059
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][N][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Ring1][#Branch2][C][Ring1][=C][=C][Ring2][Ring1][Ring1],CC1=CC=CC(CCN2C(C)=NC3=NC=NN3C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9423C0>,2.7132200000000006,0.8603528004090972,3.306958137565857,0.9948058644796287
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][S][Ring2][Ring1][Ring2],CC1=NC(C)=C(C(=O)N(C)CCC2=CC=C(F)C=C2C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942430>,3.522160000000003,0.865636647401738,2.2570079929018068,2.0711752441068834
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=N][Ring1][#C],COC(=O)C1=CC=CC(NC(=O)C2=CSC(C)=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9424A0>,1.8854199999999997,0.8662868430328943,2.182537187356157,2.1488970278083137
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][Ring1][=C][O][Ring2][Ring1][Ring1],C1CC=CC=C1C2=NC(C)=C(C(=O)NC3CCCC3)S2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F942510>,3.4394000000000022,0.6994720444545036,4.177137460582296,-0.6797772383097778
[O][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1],O=C(NCC1(C2=CC=CC=C2)CCOCC1)C=3SC=NC=3C4CC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F942580>,3.498700000000002,0.9046794145114512,2.688958518275733,1.8344385542815225
[C][C][=N][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][=C][S][C][=Ring1][Branch1][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C],C1C=NC(C(=O)NCCC=2C=CSC=2)=CC(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9425F0>,0.49129999999999946,0.8297344908274918,3.147296491080672,1.0013759630567876
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][=Branch2][C],COC(=O)C(C)NC(=O)C=1C=C(C)N(C(C)C)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F942660>,1.9771399999999992,0.8476255171833831,2.626349816641678,1.6117777692752373
[C][C][=C][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=C],CC1=CC(=O)[NH1]C=C1C(=O)N2CCCN(C(=O)C=3C=COC=3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9426D0>,1.26462,0.8986099086564654,2.4256828039900196,2.067366739292307
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1],COC1=CC=C(Cl)C=C1NC(=O)CC2=NC(C)=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F942740>,2.2212199999999998,0.9296326549340701,2.0317656343808306,2.61639764028952
[O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1],O=S(=O)(NC1CCCC1)C2=NN=C3N2CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9427B0>,1.225399999999999,0.9052413408150144,2.6119949575105323,1.9142117465645399
[C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(OCC(=O)NC2=CC(F)=CC=C2F)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942820>,3.599140000000002,0.9343749339003566,1.701982612474609,2.969892057027174
[C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2],CN1N=NN=C1SCCNC(=O)C2COC3=CC=CC=C3O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F942890>,0.2584000000000002,0.623621294870311,2.848453110798422,0.2696533635531333
[Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][#Branch1],ClC=CC=CCNC1=NC=NC2=C1C=NN2CCCCCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F942900>,4.127200000000003,0.5575404115839383,2.942269030263679,-0.15456697234398753
[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],CC=1ON=C(C2=CC=NC=N2)C=1C(=O)NCC3=CC=CC=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F942970>,3.0234200000000007,0.7958050758868346,2.2740873254213856,1.7049380540127874
[C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N][=N][C][Branch1][C][C][=C][Ring2][Ring1][Branch1][O],COC1=CC(CN2CCN(C3=NC=CC=C3Cl)CC2)=NC(C)=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9429E0>,2.4748200000000007,0.9155210159920182,2.3616097270669414,2.2159953528931498
[C][C][C][N][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C],CCCN1C=CC2=CC(NC(=O)N3CCOCC3)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F942A50>,2.9154000000000018,0.9431791952136649,2.1019245788180463,2.6139713972502783
[C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][Branch1][=Branch2][C][C][C][=C][NH1][N][=Ring1][Branch1][C][C][O][Ring1][N][C][=C][Ring2][Ring1][C][O][C],COC1=CC=C(C2CN(CC=3C=C[NH1]N=3)CCO2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F942AC0>,2.0004,0.9152666400996691,3.094750226183038,1.481582974315307
[C][C][=N][C][=C][C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=N][O][C][Ring2][Ring1][C][=O],CC1=NC=CC(C=CC2=CN=C3C=CC=CC3=N2)C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F942B30>,2.8165000000000004,0.8367569039446308,3.6150910148519095,0.568693504871244
[C][C][N][Branch1][Branch1][C][C][C][#N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],CCN(CCC#N)CC1=CC=C(C)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942BA0>,3.0390200000000016,0.756108205994804,2.0504369368867934,1.7301040930872267
[C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],CN(C(=O)CCNC(=O)OC(C)(C)C)CC1COC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F942C10>,2.5358,0.8983780092171733,2.8978246860981898,1.5940653599876766
[C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CC(NC(=O)N(C)CCC1=CC=NC=C1)C2=CC=C(Cl)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F942C80>,3.680100000000003,0.9139646391846153,2.4396492568902346,2.130173939032842
[C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1],CC1=CC=CC(C(C)C)=C1NC(=O)C2=CC=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F942CF0>,4.1419200000000025,0.926356145931481,1.9615376427963191,2.6702430868610856
[O][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],O=C(C1=CSN=N1)N2CCN3C2=NC4=CC=CC=C4C3=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F942D60>,0.9083999999999999,0.666862722746903,2.627122813370379,0.7071908003641356
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=N][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][C][Ring1][#C],CS(=O)(=O)N1CCC(NC(=O)C2=N[NH1]C(=O)[NH1]2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942DD0>,-1.7481999999999986,0.6077527461400644,2.745110186128068,0.2936535445722539
[C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][Branch1][C][C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],CC(C1=CC=CC(O)=C1)N(C)C2=NC=NC=C2C=3C=NN(C)C=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F942E40>,2.780100000000001,0.8024375393290596,3.140960477029287,0.8712272196160109
[C][C][=Branch1][C][=O][N][C][=C][Branch1][=C][N][C][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][S][C][=C][Ring1][=N][C],CC(=O)NC=C(NCCC1=NC(C)=NO1)SC=CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F942EB0>,1.7119199999999999,0.792265327827354,3.583598145266171,0.37772849387059937
[C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][S][Ring2][Ring1][=Branch1],CC1=NC(C(=O)NC2=CC=CN=C2OC3=CC=CC(F)=C3)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942F20>,4.030220000000002,0.7847073697557535,2.1609747380087985,1.7625621107699692
[C][N][Branch1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],CN(CCC#N)C(=O)C1=CC=C(Cl)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F942F90>,2.9790800000000015,0.8349552202353143,2.010227545115775,2.1645485560607964
[O][=C][Branch1][Branch1][N][C][C][O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][N],O=C(NCCO)C=1C=NN(C2=CC=C(Cl)C=C2)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A040>,0.8299999999999998,0.7732331227798542,2.0700071438147933,1.7961584700844777
[C][C][O][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][=Ring2][Ring1][Ring2][C],CC=1OC(C)=C(C(=O)NC2=CC(C3=CC=CN=C3)=N[NH1]2)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A0B0>,3.242260000000001,0.7767785597857059,2.6477824142587174,1.236110384669812
[C][C][C][C][N][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][C][Ring2][Ring1][=Branch1],CC1CCN(S(=O)(=O)NCC=2C=NN(C3=CC=CC=C3)C=2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A120>,1.9385999999999999,0.9084972953775842,2.2648187939528537,2.277667682935067
[C][N][Branch1][C][C][C][=N][C][=N][C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][S][Ring1][P],CN(C)C1=NC=NC(SC2=CC=C3C=CC=CC3=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A190>,3.9082000000000026,0.8416026042779987,3.603691810607879,0.6043212107821141
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2],COC1=CC=CC=C1NC(=O)C=2N=C3N=CC(Br)=CN3N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A200>,2.1476999999999995,0.7844242513034588,2.3157505435090915,1.6063707130082028
[C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2],COC1=CC=C(C)C=C1S(=O)(=O)NC2=NN=C(C3CC3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A270>,2.5333200000000007,0.9133552475086396,2.2205377848884034,2.346238452654795
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][S][Ring1][S],C1C=NC(C)=C1CC(=O)N2CCCS2(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A2E0>,0.6871,0.7150681351664872,3.9228523215021784,-0.34751164566974246
[C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=N][N][Ring2][Ring1][C][C],CC1=CC(C(=O)NCC(C)CN2CCOCC2)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A350>,0.42662,0.8493879063454066,2.783678756420686,1.4632607753063471
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2],CCN(CC)C(=O)CSC1=NN=NN1C2=CC=CC(OC)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A3C0>,1.6313999999999997,0.7217932323422743,2.156264051975839,1.4527021097355326
[C][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][N][=N][C][=N][Ring1][#Branch1],CCC=1C(C2=CC=NC=C2)=NOC=1C(=O)NC3=CC(N)=NC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A430>,1.9234999999999998,0.7548864732893373,2.708871241505303,1.0655611249413837
[C][C][=N][C][Branch2][Ring1][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][O][Ring1][P][=N][O][Ring2][Ring1][=Branch1],CC1=NC(C2CN(C(=O)C3=CC(Cl)=CC=C3O)CCCO2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A4A0>,2.34082,0.9044166212764481,2.981902252177216,1.5401808542050244
[C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][C],CC1CN(C(=O)C2=CSC(C)=N2)C3=CC=CC=C3S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A510>,3.592520000000002,0.8044136017885618,2.915426373418235,1.106641635524574
[C][C][C][C][N][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][C][Ring1][P][=O],CCCCN1CC(C(=O)NC2=CC=C(C#N)C(Cl)=C2)CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A580>,2.7987800000000007,0.9065642251315726,2.595480652570176,1.937340473087687
[C][=C][C][N][C][Branch1][Ring1][S][C][=N][N][=C][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],C=CCN1C(SC)=NN=C1CCOC2=CC=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A5F0>,2.513100000000001,0.6271855070033365,2.392353852071601,0.7435736829450819
[C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2][C],CCOC(=O)CC1=NC2=CC(Cl)=CC=C2N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A660>,2.3323,0.7878626445050984,2.0558718191564314,1.8834414033690603
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2],CCCN(CC1CC1)C(=O)C2=CC=C(F)C(Cl)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A6D0>,3.7413000000000025,0.7973538918145214,1.9756050649244123,2.011164394148195
[C][S][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1],CS(=O)C1=CC=CC(NC(=O)CC2=NOC3=CC=CC=C23)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A740>,2.7464000000000013,0.8034722909840362,2.7718462083258952,1.2455152465942856
[C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][O][Ring2][Ring1][Ring2],CCC1CN(C(=O)CNC2=CC=C3C=CC=CC3=C2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A7B0>,2.8891000000000018,0.9434277564055094,2.516601908875346,2.200536873152201
[C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1],CC(NC(=O)NCC(O)C1=CC=C(F)C=C1)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A820>,2.3145,0.7932989180987217,2.7560217694288696,1.2104728210647386
[O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1],O=C(COC(=O)CN1C(=O)CSC2=CC=CC=C21)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A890>,1.5778999999999999,0.7870175225587146,2.282335851561257,1.6527517612323162
[C][C][=N][S][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][S][C][#N],CC1=NSC(NC(=O)NCC2=CC=CN=C2)=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A900>,2.0399,0.8948866804317412,2.5317566358322097,1.942676766326496
[C][N][C][Branch1][#C][C][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2],CN1C(C(CO)CC2=CC=CC=C2)=NC3=CC(O)=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A970>,2.597500000000001,0.7730294184353124,2.72213515288999,1.1430119392865716
[N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][C][O][Ring1][Branch1][C][C][C][C][C][C][Ring2][Ring1][=Branch1],NC(=O)C1(CNC(=O)NCCCOCC2CCCO2)CCCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94A9E0>,1.697199999999999,0.43250915512907046,3.0428235378652317,-0.8802777622198796
[O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CSC1=CC=CC=C1)NCC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AA50>,3.0951000000000013,0.8339369613473718,1.4597329876755154,2.7099518190613434
[C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][O][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][S][C],CC1=NC(C)=C(C)C(OCC2=CC=NC=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AAC0>,3.2892800000000024,0.8280449285183791,2.22229204137653,1.917932601215365
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][Ring1][O][C],CCCC(=O)NC1=CC=C(S(=O)(=O)CC)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AB30>,2.5272200000000007,0.8930310610031663,1.863147156761146,2.6020081482546855
[C][C][N][C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C],CCN1C(CSC2=NC=CC=N2)=NN=C1C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94ABA0>,2.6778000000000004,0.635004893452105,2.6441261568772028,0.5308983103833222
[C][#C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring1],C#CC1=CC=CC(N(C(=O)C2=CN(C)N=C2C)CC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AC10>,2.24482,0.7969936292970413,4.001784357134021,-0.016816210648814334
[C][N][C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][#C],CN1C=NN=C1C2=CC=C(NC(=O)C3=CC=NC=C3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AC80>,2.1293999999999995,0.7967854431391561,2.0084630403565082,1.9754641753392725
[C][C][Branch2][Ring1][C][N][C][=N][C][=N][C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],CC(NC=NC=NC1[NH1]N=CC1=CCC2)=CC=C(C#N)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94ACF0>,2.17788,0.7177723366407099,5.383413874025473,-1.7945521908219235
[C][C][C][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][N][=C][Ring1][Branch2],CCC(CO)NS(=O)(=O)C1=CC=C(Cl)C(N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AD60>,0.9713999999999998,0.6999663436115707,2.6414065758368377,0.8584251422210158
[C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][Ring2][Ring1][Branch1],CC1=CN=C(NCC2=CC=CC=C2OC(C)C(=O)NC)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94ADD0>,2.5154200000000007,0.8600864230781053,2.5228758077587194,1.7775563076318068
[C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][C],CC(=O)N1CC2=CC=CC=C2C3=CC=CC=C3C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AE40>,3.7767000000000026,0.6975084187356552,2.4438443221361847,1.043697771542091
[C][O][C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C],COCCNC1=CC=C(C)C=C1S(=O)(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AEB0>,1.30362,0.7931518695005769,2.058354849068838,1.9074044984340466
[C][#C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][O][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][C][Ring1][Branch2],C#CCNC(=O)COC1=CC=C2OC3=C(C2=C1)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AF20>,2.4398,0.8768372024083577,2.474583595211488,1.9096024168303005
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F],CC1=NN(C)C(C)=C1CCNC(=O)CC2=CC=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F94AF90>,2.0774399999999993,0.9157806178257227,2.0298857954984815,2.549017293630132
[N][#C][C][=C][C][=C][Branch2][Ring1][C][C][N][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring1][P],N#CC1=CC=C(C2NCCC3=CC=CC(F)=C32)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C040>,2.932480000000001,0.8466596029768907,2.78882921724108,1.4444687976433732
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=C][C][=N][Ring1][P],NS(=O)(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2Cl)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C0B0>,2.2881,0.8899973972838541,2.1460298552499832,2.3039571311692875
[C][C][C][=C][Branch1][C][C][N][N][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][=C][N][=Ring2][Ring1][Ring1],CC=1C=C(C)N2N=C(S(=O)(=O)CC3CCCC3)N=C2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C120>,1.70504,0.8608233654975036,2.71220837780902,1.591908449678498
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][O][S][Ring2][Ring1][Ring2],CC1=NC(C)=C(CNCC2=CC=NC(OCC3CC3)=C2)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C190>,3.2335400000000023,0.8528209425638011,2.478295158893708,1.7858095539252972
[C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][#Branch2][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2],CC1=C(Cl)C(C(F)(F)F)=NN1CC2=NN=C(C3CC3)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C200>,3.1724200000000016,0.8736941992582107,2.7166260518016934,1.6518449444893601
[N][#C][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],N#CC=1C=CSC=1NC(=O)CCNC(=O)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C270>,2.37838,0.8889445622719273,1.9278459281244764,2.5168768832351605
[O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][=C][C][Branch1][Branch2][C][O][C][C][O][Ring1][Branch1][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],O=C(NCC1=CC=CC(C2OCCO2)=C1)C3=CC=CC=C3O,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C2E0>,2.367600000000001,0.909233282621634,2.107443309109833,2.4387231039983375
[O][=C][Branch1][S][N][C][C][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][N][=C][NH1][N][=Ring1][Branch1],O=C(NCCSC1=CC=CC(Cl)=C1)NC=2N=C[NH1]N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C350>,2.3718999999999992,0.5843208529004064,2.82415579667137,0.09744846783066174
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Ring1],COC1=CC=C(F)C(NC(=O)C2=C(C)C=C(C)[NH1]C2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C3C0>,2.3917399999999995,0.9114296912804345,2.0823691265050446,2.474779329897128
[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=N][C][Branch1][=Branch2][C][=N][O][N][=C][Ring1][Branch1][N][=C][C][=N][Ring1][O][C][=C][Ring2][Ring1][Branch1],COC1=CC=C(CCNC=NC(C2=NON=C2N)=CC=N)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C430>,1.5114699999999999,0.38545909790903576,3.3930474652815263,-1.4657519757363475
[C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1],CCOCC1=CC=CC=C1NC(=O)NC(C)C2=CC=C(C)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C4A0>,4.007220000000002,0.8471854245313558,2.59299764398701,1.6429294786697692
[C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1],CN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)C2CC3C=CC2C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C510>,3.876000000000003,0.7761004755333619,4.005519079961399,-0.12501670229458917
[C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F],CN(C1=CC=CC=C1F)S(=O)(=O)C2=CC=C(C#N)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C580>,2.6615800000000016,0.8755178841336646,2.214602324885611,2.1629870957827118
[N][#C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][Ring2][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1],N#CC(C(=O)C=C(N)N(CC=C)C1=NC=CN1CC2=CC=CN)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C5F0>,1.1070799999999998,0.805695400515036,4.572159755506392,-0.543682752931212
[C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][Ring1][C][#N][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][S][Ring1][N],CCOC(=O)CC=NN1C(C#N)=C(C(=O)OC(C)C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C660>,1.77358,0.5889438607051974,3.5007773338529766,-0.5560580303269895
[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1],COC1=CC=C(Cl)C=C1S(=O)(=O)NC=2C=N[NH1]C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C6D0>,1.8724999999999998,0.8989792876893309,2.2191157336842213,2.2757807047624334
[C][C][=C][C][Branch1][C][C][=C][Branch1][#C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring1][P][N],C1C=CC(C)=C(C2=NN=C3C=CC=CN23)C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C740>,1.7899999999999996,0.8061441429915531,3.505254425130401,0.5254662898273645
[O][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][S][N][=N][Ring1][Branch1],O=C(NCCC1=CSC(N2CCCC2)=N1)C3=CSN=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C7B0>,1.5673,0.9074992111006626,2.557257386004215,1.9802386694990979
[C][O][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][N][=Ring2][Ring1][C],COC=1C=C(C(=O)NC2=CC=C3C(=C2)OCCO3)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C820>,1.7066999999999994,0.9184058891178246,2.228617386903373,2.36341205868575
[C][C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][C][C][N][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][Ring1][P][C],CCCN1N=C(C)C(CNCC=2C(C)=NN(C)C=2C)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C890>,2.5500800000000003,0.8887859145738166,2.4128428107155706,2.031086762153512
[C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2],CC(C)OC1=CC=CC=C1NCC2=CC=C3[NH1]C(=O)[NH1]C3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C900>,3.2555000000000005,0.676753010071523,2.1476574231208225,1.2361076272367924
[C][C][C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCCC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C970>,3.197000000000002,0.8969503683719035,2.052417351071325,2.4323344907881923
[C][O][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=N][Ring1][=Branch2],COC(=O)C=1OC=CC=1CSC2=NC(C3CC3)=NC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95C9E0>,2.4209000000000005,0.6179716609602431,2.788341706322612,0.3015165984786039
[O][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N],O=C(NC1CCCC1)C=2C=NN(C3=CC=C(Cl)C=C3)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CA50>,3.198100000000002,0.9430542217923484,1.9414481561341432,2.773822952827599
[C][C][Branch1][C][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=O],CC(C)OC1=CC(Br)=CC=C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CAC0>,2.3352,0.9040834543198832,1.9398573008688533,2.5805599707305626
[C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][O][Ring1][P],CCC1CN(C(=O)NCC2=CC=NC=C2C)C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CB30>,2.05642,0.90780089526388,3.588288242512264,0.9507162338071362
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][C],COC(=O)C(NC(=O)C1=CC(C)=CC=C1NC2CC2)C(C)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CBA0>,2.886820000000001,0.7586702596610809,2.806666969335053,0.9866843289703517
[C][C][=C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][NH1][C][=Ring1][#Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch1],CC1=CC=CC(C2=CC=C(CNC(=O)C=3C=CC(=O)[NH1]C=3)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CC10>,3.2803200000000006,0.775262447539234,1.8756649110134287,2.000647326682741
[O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][O][C][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C],O=C(C1=CC=CO1)N2CCOC(CCC3=CC=C(F)C=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CC80>,2.892500000000002,0.8719844387457287,2.559923062721502,1.7999991310071417
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][C],CC(C)NC(=O)C1=CC=C(N2CCC(CN3C=CC=N3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CCF0>,2.9379000000000017,0.9189192320820504,2.134321098304401,2.4602750621058513
[C][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CCCOC(=O)CNC(=O)CN(C)C1=CC=CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CD60>,1.1921999999999993,0.7516136780307322,1.9481688274142144,1.8098995627394467
[C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][NH1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1],COC1C=CC=C(C(=O)NC2=CC(C3CCCC3)=N[NH1]2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CDD0>,2.9071000000000007,0.8944347689271657,3.6947391251472403,0.7774347194885882
[C][O][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring1],COCC1=CC=CC(C(=O)OCC2=NC3=CC=CC=C3O2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CE40>,3.3312000000000017,0.6759172394014373,1.9930308091098325,1.3865553878973542
[C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring1][S],CCNC(=O)N1CCC2(CCN(C3=NC=CC=N3)CC2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CEB0>,1.4983999999999997,0.8960124482261933,2.945289944819372,1.5347722963115942
[C][O][C][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],COC(CNS(=O)(=O)C1=CC=CC=C1C)C2=CC=C(C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CF20>,2.9694400000000014,0.8903743889352621,2.465365394058196,1.986506550618114
[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring1][S],CC(=O)NC1=CC=CC(NCC2=CC=CC=C2C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F95CF90>,3.128780000000001,0.8922090085185626,1.8616599249460943,2.599385117646719
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#Branch2],CC(C)S(=O)(=O)NCC1(C2=CC=CC=C2F)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973040>,2.1851000000000003,0.8919601066795615,2.411284656761147,2.0485158766366602
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],CCOC(=O)CN(CC)C(=O)CC1=CC=CC(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9730B0>,1.9491199999999995,0.7369443056136702,1.898471132873631,1.78625039519472
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Branch1],COC1=CC=CC(OCC(=O)NCC2=C(C)C=C(C)[NH1]C2=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973120>,1.69554,0.8497632285892013,2.0820748691276805,2.1667412738183263
[C][C][S][C][=C][Branch2][Ring1][Branch2][N][=N][C][=N][C][Branch1][O][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][=N][C][=C][N][Ring1][P][Ring1][=N][C][=Ring2][Ring1][Ring2],CCSC=C1N=NC=NC(C2=CC=C(C)N=N2)=NC=CN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973190>,2.6385199999999998,0.9292950154159374,4.638928784668048,0.007546292411639399
[C][C][Branch1][C][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][=C],CC(C)C1=CC=C(C(=O)N2CCOCC2C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973200>,2.2639000000000005,0.7920376343872569,2.941616461270552,1.0185717106657326
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCN(CC)C(=O)CSC1=NC=NC2=C1C=NN2C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F973270>,2.7760000000000007,0.5094635362007078,2.2745103959632633,0.27280728504027607
[O][=C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][O][C][C][C][C][C][Ring1][Branch1],O=C(NC1C2=CC=CC=C2CC1O)OC3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9732E0>,2.3135000000000003,0.8585682186485476,2.937650680828666,1.3551904124140721
[C][N][C][NH1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][S][C][=Branch1][C][=O][O][C],C=1NC[NH1]C(=O)C(C2=CC=CC=C2)=C(C)C=1C(=O)OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F973350>,1.1938999999999997,0.793713326566188,2.926922663523305,1.0416439693076347
[C][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][=O][=C][Ring2][Ring1][#Branch1],C1C=CC=CC21NCC3=NC4=CC=CC=C4N3C(C)(C)CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9733C0>,3.088700000000002,0.8133692172018814,4.416115844882481,-0.3492697588730742
[N][C][=Branch1][C][=O][C][=C][S][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][#C],NC(=O)C1=CSC(C(=O)NC2=CC=CC(F)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973430>,2.2384000000000004,0.8919123992722108,2.0185569644534542,2.4410050319075998
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2],COC1=CC=CC=C1NC(=O)NCC2=COC(C3=CC=CS3)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9734A0>,3.7334000000000014,0.747536635383858,2.1511018854881865,1.586581291431103
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1],COC1=CC=CC=C1CNC(=O)NCCC2=NC3=C(S2)CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F973510>,3.072400000000002,0.8456199454574451,2.2373424743196892,1.9907572529675361
[C][C][N][C][=Branch1][C][=O][C][=N][S][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][#C],CCNC(=O)C1=NSC(C(=O)NCC2=CC=CC=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973580>,1.2178000000000002,0.8668528515565127,2.3435085079420457,1.9907557498405177
[C][O][C][=Branch1][C][=O][C][=N][C][=N][C][Branch2][Ring1][C][N][C][=N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][=C][S][Ring1][#C],COC(=O)C=NC1=NC(N2C=NC(C(=O)OCC)=C2C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9735F0>,1.1709199999999995,0.6117248084471623,3.866536165035739,-0.8079121227999275
[C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F],CCOC1=NC=CC=C1C(=O)NC2=CC(Cl)=CC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F973660>,3.525100000000002,0.9383442678754689,1.861181729457373,2.8305396099199713
[C][C][Branch1][C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][O][C][C][O][Ring1][=Branch2],CC(C)(C)COC(=O)C1=CC2=C(C=C1Cl)OCCO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9736D0>,3.3141000000000016,0.781700745436193,2.2623507186724456,1.6461530085085192
[N][#C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][O][S][Ring1][P],N#CC=C(NC(=O)CCOC(C)CC(C)O)S,<rdkit.Chem.rdchem.Mol object at 0x000002763F973740>,0.9634799999999999,0.4691027141143546,4.118800626837012,-1.773287056265239
[C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][O][C][Branch1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=N][Ring1][N][C][=C][Ring2][Ring1][C],CC1=CC=C(C2=NOC(C3=CC=CN=C3N)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9737B0>,2.6892199999999997,0.7582226652349557,2.0162679645035375,1.7748453616712414
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2],COC1=CC=CC=C1OCCNC(=O)C2=CN=C3C=CC=CC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F973820>,2.4472000000000005,0.7054402040081492,1.8768717050889183,1.6503293149518279
[O][=C][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F],O=C(CCC1CCCO1)NCC2=CC=CC=C2OC(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F973890>,2.8634000000000013,0.8419189019072831,2.5508951528899892,1.6586993566464265
[C][N][C][=N][C][Branch1][=N][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],C1NC=NC(CN2N=NN=C2SCC#N)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F973900>,1.1615799999999996,0.8518050979903916,3.8108988005326694,0.448126689419289
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring1][S],COC(=O)C1=CC=C(NC(=O)C2=CN=C(C)C=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973970>,1.8239199999999998,0.8610952328211846,1.8308017844024267,2.4746743797034965
[O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][N][C][C][O],O=C(COC1=CC=C(Cl)C2=CC=CC=C12)NCCO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9739E0>,1.9804999999999997,0.8798259818772283,1.811474584550158,2.5876553248359837
[C][C][=C][S][C][Branch2][Ring1][P][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O],C1C=CSC(C(NC(=O)C2=CC=C(Cl)C=C2)CC3=CC=CN=C3C1)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F973A50>,3.7958000000000016,0.8706955053963362,3.659651608784591,0.6938259181970903
[C][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1],CN1CCN(C(=O)CSC2=NC3=CC=CC=C3[NH1]2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973AC0>,1.4289999999999996,0.8689570095190282,2.0447691110413047,2.3000159365538364
[C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][P][Br],CC1=CC=C(NC(=O)NCC=2C=NN(C)C=2)C=C1Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F973B30>,2.8127200000000014,0.9124257795540971,2.0921897272690746,2.4699391705014104
[C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1],CC(=O)C1=CC=CC(OCC(=O)N(C)CC(=O)NC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973BA0>,2.3651,0.785278820598056,1.8085321152975204,2.1178619876927596
[C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],CCCC(=O)NCC(=O)NC1=CC=CC(Br)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973C10>,2.3038999999999996,0.8762419545410463,1.703552015555779,2.6776577571494524
[C][C][=Branch1][C][=O][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][NH1][C][Branch1][C][C][=C][Ring1][=C][C][Branch1][C][C][=O],CC(=O)C1=C(C2=CC(Cl)=CC=C2Cl)[NH1]C(C)=C1C(C)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F973C80>,4.7021200000000025,0.8352133269044197,2.442703023257911,1.7333636112641875
[C][C][C][C][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Ring1][=O],CCCCN1N=C(C(=O)NCC(C)(C)C2=CC=CC=C2)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F973CF0>,2.7510000000000012,0.8502793931613402,2.168500312600809,2.082896653205892
[O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][C][Branch1][C][Br][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O],OC(C1=CC=NC=C12)C=CC=3C(Br)=NN(C)C=3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F973D60>,2.2286,0.811839432916947,3.943355600983671,0.11584156360106412
[C][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2],C1CCN(CC2=CC=C3C=CC(Cl)=CC3=N2)C(C)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973DD0>,3.456500000000002,0.8399452550953319,2.970369916541779,1.2293563589348802
[O][=C][Branch1][#Branch2][N][C][C][=C][S][C][=N][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][C][=C][Ring1][O],O=C(NCC1=CSC=N1)C2=CC=C(C3=CSC=N3)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F973E40>,3.196600000000002,0.8048697224740138,2.331325704126769,1.6930229082433002
[C][C][=C][Branch2][Ring1][C][C][N][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][F][C][C][=Ring1][Branch2][C][C][=C][Branch1][Ring1][C][O][C][=N][N][Ring2][Ring1][Ring2][Ring1][#Branch1],CC1=C(CNC=2C=NN(C(F)C)C=2C)C3=C(CO)C=NN13,<rdkit.Chem.rdchem.Mol object at 0x000002763F973EB0>,2.1820199999999996,0.8857564319616344,4.054094171457629,0.3746879883505434
[C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][S],CC1=NC(C(=O)NCC2=CC=C(Cl)C=C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F973F20>,3.0349200000000014,0.9278425697570691,1.7883377356867118,2.850875113098634
[C][C][=C][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P],CC1=CN=NN1C2=CC=C(C)C(C(=O)NC3=CC=C(F)C=C3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F973F90>,3.2755400000000012,0.8073956270470067,2.131653619127679,1.9053245161073544
[C][O][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][C][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring1],COCC1CCN(C(=O)C2=CC(C(F)(F)F)=NC(C)=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B040>,2.907420000000002,0.8609328252112691,2.3553348956482942,1.9493292304080514
[O][=C][Branch2][Ring1][O][N][C][=C][C][=C][C][Branch1][S][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][P][C][C][C][C][O][Ring1][Branch1],O=C(NC=C1C=CC(CNC2=NC3=CC=CC=C3S2)C=C1)C4CCCO4,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B0B0>,3.629500000000003,0.8470663858124889,3.6520790139294723,0.5832529151329728
[C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P][O][C],COC1=CC(OC)=C(NC(=O)NC2CCCC2)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B120>,2.7765000000000013,0.8758788114994434,1.8354209346433823,2.543973122853835
[N][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][S],N#CC1=CC=C(F)C(CNC2=CC=CC(Br)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B190>,4.071980000000002,0.9274957739587514,1.989616330969291,2.647862538824466
[C][C][=N][N][=C][Branch2][Ring1][Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring1],CC1=NN=C(C2CCCN2C(=O)NC3=CC=CC=C3)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B200>,2.747020000000001,0.9120470502760459,2.5799931368678255,1.9802421145124045
[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC=1OC=CC=1C(=O)NCC(=O)NC(C)CC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B270>,2.06522,0.8575827523002011,2.392324442994452,1.8955893185065538
[C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][=N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][NH1][Ring1][N][C][C][Ring2][Ring1][Ring1],COCC(=O)NC1CCC(C=NC(CC2=CC=CC=C2F)=N[NH1])CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B2E0>,2.3568,0.4863774607797693,3.182846685797445,-0.7509593818985989
[O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][C][=N][NH1][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N][C][C][C][C][Ring1][Ring2],O=C(NC1=CC=CC(C2=N[NH1]C(C)=N2)=C1)C3CCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B350>,2.518720000000001,0.8860242008397204,2.03558740506298,2.394533599135622
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring2],COC1=CC=CC(NC(=O)C2=CSC(C3=CN=CC=N3)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B3C0>,2.8610000000000007,0.8012986529444335,2.1001546071867576,1.90633865753541
[C][C][C][Branch1][Ring1][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][N][C][N][Ring2][Ring1][Ring1][C][Branch1][C][C][C],CCC(C1C)C(C(=O)N2CCOC3=CC=C(OC)C=C32)CN1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B430>,3.175500000000002,0.8396920299463014,3.719968414804658,0.47849173492684915
[C][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][O][Ring1][Branch1],CCCCNC(=O)C=1C=NN(C)C=1NC(=O)CCC2=CC=CO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B4A0>,2.1143,0.729590220391227,2.3089312522637755,1.3390198496923595
[C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][N][C][=C][N][=C][Ring1][Branch1][C][C][=C][Ring1][N][Ring2][Ring1][Ring1],CCN1C(=O)CCC(O)C2=CC=C(N3C=CN=C3C)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B510>,2.3608200000000004,0.9211948281237483,3.0400755049108508,1.5658986357078906
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][S][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],CC1OC(=O)CN1C(=O)CN(C)C=CC=CC=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B580>,0.9055,0.5372534348628744,4.260007664886155,-1.5737404905717831
[N][#C][C][=C][C][Branch1][P][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][=C][Branch1][Ring1][S][C][C][=C][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][=Branch1],N#CC=CC(NC1(C2=CC=CC=C2)CC1)=C(SC)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B5F0>,5.0768800000000045,0.5919226954858656,2.9746983558294833,-0.015084878400155155
[O][=C][Branch1][=N][C][C][=N][C][Branch1][Ring1][C][O][=C][S][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],O=C(CC1=NC(CO)=CS1)NC2=CC=CC=C2Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B660>,2.4700000000000006,0.905463060672558,2.0284642947701954,2.4988510085925943
[C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1],CCC(=O)NC1=CC(Br)=CC=C1N2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B6D0>,3.397800000000002,0.9271129073814033,1.8458108126097859,2.7897537242972303
[C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][Ring1][P],CCCC1CN(C(=O)NCCC2=CC=CN=C2)CCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B740>,1.8346,0.8931335571187906,2.6681191315627864,1.797548654031167
[C][N][C][=C][Branch1][C][Br][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],CN1C=C(Br)C=C1C(=O)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B7B0>,2.4349,0.917976998329474,2.11197001380987,2.4779149778375
[C][C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][S][Ring1][P],CC=C1C=CC(CNC(=O)NCC2=CC=CS2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B820>,3.6380000000000017,0.8893253708130576,3.313018174293749,1.1336086797715392
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2],COC(=O)C1=CC=CC=C1OC2=CC=C(C(C)=O)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B890>,3.4681000000000015,0.6302430154616773,1.6061825536331966,1.5450325236751898
[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],N#CC1=CC=CC=C1S(=O)(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B900>,2.3590800000000005,0.918289002253276,1.7201756069873895,2.8712694042789906
[C][C][Branch1][Ring2][C][C][#N][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N],CC(CC#N)N(C)C1=CC=C(C(F)(F)F)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B970>,3.0259800000000006,0.846652970075554,3.0409289715430248,1.1923358788347453
[C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C],CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)NC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F94B9E0>,1.1397799999999998,0.8708462922216293,2.548782775267611,1.8054486858405356
[C][C][C][C][=N][O][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=N][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Ring2],CCCC=NOC(CN(C)C=NC1=NON=C1C2=CC=C(C)O2)=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BA50>,3.0093900000000007,0.45141973904783855,3.895470360551103,-1.6383716653119103
[C][C][N][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Ring1][=N][C][=N][Ring2][Ring1][Branch1],CCN1C=C(NC(=O)C=2C=NN(C3=CC=CC=C3OC)C=2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BAC0>,2.3495999999999997,0.7846821011846788,2.197885227519288,1.7255252784041062
[C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][N][C][=C][Ring1][Branch2][C][N][C][C][=N][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O],CCC1=NN(C)C(NC)=C1CNC=2C=NN(C3=NC=CC=N3)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BB30>,1.6119999999999994,0.7191027367977827,2.91979431842838,0.6757193655605334
[C][C][C][N][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][S][Ring1][=N],CCCNC1=NN=C(SCC(=O)NC(C)C)S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BBA0>,1.9767,0.7442108692519084,2.2280826211204268,1.4929717251391152
[C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][S][Ring2][Ring1][Branch1],C1C=NC=C1C2=NC3=CC=CN=C3N2CC(=O)NCC=CS,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BC10>,1.8063999999999996,0.8269629745431297,3.502218309109834,0.6325965636058148
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][=N],CC(C)CCNC(=O)NC1=CC=CC(OCC(=O)N(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BC80>,2.3212,0.8119002875332803,1.957195664879066,2.102305772787335
[C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N],COCC(C)NC(=O)NCC=1C=NN(CC2=CC=CC=C2)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BCF0>,1.7654999999999994,0.8187664942093177,2.4987187357984233,1.595113735248165
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C],COC(=O)C1=CC=C(OCC(=O)NC2=CC=C(F)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BD60>,2.6298000000000012,0.8624315071915706,1.5185749700899827,2.7935825658678706
[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O],CCNC(=O)C(C)NC(=O)C1=CC=C(Br)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BDD0>,1.4090999999999994,0.7859463183151623,2.4290377276805035,1.5006938638953078
[C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1],CN(CC1=CC=CC=C1Cl)C(=O)CCC2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BE40>,3.326200000000002,0.8454177137426948,1.8823611395209916,2.3447274291924822
[O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O][N][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Ring1][O],O=C(NC=1C=NN(CC2CCCO2)C=1)N3CCCC4=CC=CC(F)=C43,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BEB0>,3.185900000000002,0.9302082854455522,2.9958546232182357,1.6551868040095252
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],CC(=O)NC(NC1=CC=CC=C1)C(C)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BF20>,3.3644000000000025,0.816336493927562,2.7845913788494325,1.2970910907883777
[O][=C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][N][Ring2][Ring1][Ring2],O=C1CN(C(=O)NC2=CC=C(OC(F)(F)F)C=C2)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F94BF90>,1.5489000000000002,0.8705830248069549,2.1642531695037874,2.1886619545309873
[C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N],CCC(C)C(C)NC(=O)CNC1=CC(Cl)=CC=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E040>,2.8849,0.7033966075881573,2.8515498663490266,0.6654331715917596
[O][=C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][N][N][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CC1=CC=C(N2CCCC2=O)C=C1)NC3=CC=CC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E0B0>,2.3896000000000006,0.9417364488799039,1.919406049494448,2.7892761949050717
[C][O][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][=C],COCCCNC(=O)NC1=CC=C(CN2CCOCC2)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E120>,2.3302000000000005,0.7471498046144318,2.0057257869598484,1.7300232361123107
[O][=C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C],O=C1CN(C(=O)NC2=NC=CS2)C3=CC=CC=C3N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E190>,2.1336999999999997,0.8362239339053513,2.3292967756923506,1.851822893834406
[C][C][=N][C][Branch2][Ring1][#C][C][=C][NH1][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][=C][Ring1][#C][C][=C][S][Ring2][Ring1][#Branch1][C],C1C=NC(C=C2[NH1]C(C(=O)NC3=CC=C(F)C=C3)=C=C2C=CS1)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E200>,3.380300000000002,0.8110387357779468,4.8478850996748895,-0.7926914207851556
[C][C][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],CCNC(=O)CC(C#N)C1=CC=C(Cl)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E270>,2.4733800000000006,0.8733005566762381,2.64503231549846,1.7214704678827308
[C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][C][Ring1][#C],CCC1=NN=C2N1CC(NS(=O)(=O)C3CC=CC3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E2E0>,0.7933000000000001,0.833561769164262,3.725869878456545,0.4419389673647647
[C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1],CC1=CC2=CC=CC=C2N1CC(=O)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E350>,2.8591200000000008,0.7905627770312279,1.996448421386134,1.9563654637700054
[O][=C][Branch2][Ring1][#Branch1][C][N][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=N][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1],O=C(CNC1=NC(N2CCCC2)=NC=N1)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E3C0>,1.2528999999999995,0.817890504550703,2.479286136051087,1.6101663867024278
[O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],O=S(=O)(NCC1=CC=CC(O)=C1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E430>,1.8707,0.8846181539637266,1.6527366929602394,2.7703540768583936
[N][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][C],NC1=CC=CC(OCC(=O)C2=CC=C(F)C=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E4A0>,3.323000000000002,0.6898343258912792,1.8762184645695115,1.5729531648868846
[C][N][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1],CN(C)C1=NC=CC=C1N(C)CC=CC=2C=CN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E510>,2.635700000000001,0.8345181909906852,3.0112655206661625,1.1613254342872636
[C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C],CNC(=O)CSC1=NN=C(C2=CC=CC=N2)N1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E580>,0.7152000000000001,0.8226614378409031,2.183345742733996,1.9299614464705188
[C][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][Ring1][N],CNC(=O)CC1=CSC(NC(=O)C(C)(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E5F0>,1.4161999999999997,0.8576705141445163,2.2734235049174796,2.0149290658051022
[C][N][Branch1][C][C][C][=C][C][=N][C][Branch1][Branch2][O][C][C][Branch1][C][F][F][=N][C][Ring1][O][C][=C][Ring1][#C][Cl],CN(C1)C=C2C=NC(OCC(F)F)=NC2C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E660>,2.0291,0.7732092495717692,4.776096035372811,-0.9100497875139655
[C][C][C][N][C][Branch1][=Branch1][S][C][C][C][#N][=N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Ring2][Ring1][C],CCCN1C(SCCC#N)=NC2=CC(S(N)(=O)=O)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E6D0>,2.09948,0.64733730504394,2.437545211944105,0.7991413132755953
[C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring1][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][#Branch2][=O][S][Ring2][Ring1][C],C1C=CC(C)=NC1N2N=C(C3=CC=CO3)CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E740>,1.9629,0.7968282216694708,3.946226485076955,0.03791462327039907
[C][=C][C][O][C][C][C][C][C][Ring1][Branch1][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1],C=CCOC1CCC2C1OCCN2C(=O)C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E7B0>,1.8542,0.7881969137420561,3.762949788689041,0.17803478002123985
[C][C][C][=C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][S][N][=Ring2][Ring1][Branch1],CC=1C=CN(C2=CC=C(NCC(=O)N3CCOCC3)C=N2)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E820>,0.8464199999999997,0.9060556568216324,2.3961723956482945,2.1341058884598674
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl],CC1=CC=C(C(=O)N(CCO)CC2=NC=CN2C)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E890>,2.01662,0.919121864671643,2.2352385806443706,2.3603707427138447
[O][=C][O][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][Ring1][=C],O=C1OCCC1N2CCN(CC3=CC=CC(Cl)=C3Cl)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E900>,2.3839999999999995,0.8020030844840615,3.005092550521323,1.0049228718989847
[O][=C][C][C][=N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][#C][C][=C][N][Ring2][Ring1][Ring1][C][C][C][C][C][C][Ring1][=Branch1],O=C1C=2C=NC3=NC(C4=CC=NC=C4)=NN3C=2C=CN1C5CCCCC5,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E970>,3.006400000000001,0.5574287824322857,2.6107060129401845,0.1764378992212441
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br],CC1=CC=CN=C1NC(=O)NCC2=CC(F)=CC=C2Br,<rdkit.Chem.rdchem.Mol object at 0x000002763F97E9E0>,3.6133200000000016,0.8982570446744634,2.057065245940887,2.4342199774314306
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Ring1][S],CC(=O)NC1=CC=C(F)C(C(=O)NC2=NC(C)=CS2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EA50>,2.8013200000000005,0.9137668544563158,1.943083347838991,2.6257509244425883
[C][C][C][=C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][C][=Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1],C1CC2=CNC3=C(C(=O)NCC4=CC=CC=C4)C=CC=C3C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EAC0>,3.8034000000000026,0.9023575402639654,2.9440366056209086,1.5677510956989185
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1],CS(=O)(=O)C1=CC=CC=C1COC2=NC=NC=3SC=CC2=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EB30>,2.673800000000001,0.7390060315156627,2.382562851201401,1.3124673063769126
[C][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][=N][Ring1][P],CCCC1=NOC(CSC2=NN=C(C3=CC=CS3)O2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EBA0>,3.425900000000002,0.6454209542294665,2.543352562014645,0.6837522091326877
[C][C][C][=N][N][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][S][C][=Ring2][Ring1][Ring1][C],C=1CC2=NN=CSC(NC(=O)C3=CC=CS3)=NN2C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EC10>,2.5897000000000006,0.9252983243302809,3.2269012065320206,1.399590415119384
[C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=C][Ring2][Ring1][Branch1][C],CC1=CC=C(NC(=O)C=2C=NN(C3=CC=C(Cl)C=C3)C=2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EC80>,4.394840000000003,0.7757159098562111,1.8676671102519418,2.0109124390291138
[C][=C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],C=CCN(C(=O)NC1=CC=CC(C)=N1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97ECF0>,3.6145200000000015,0.8599299333351675,2.172525511990628,2.1271241546852098
[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][P],C1=CC=C2C(=C1)CCN(C3=NN=C4C=CC=CN34)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97ED60>,2.3345000000000002,0.6761517770060447,2.203531180006822,1.1772277050234017
[C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][C][=C][Ring2][Ring1][C],CC1=CC(C)=CC(OCC(=O)NC2=NON=C2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EDD0>,2.0123599999999997,0.9105139214488177,2.2533380581834432,2.2992315490606456
[C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2],CC1=CC=C(OC(=O)CCNC(=O)C2=CC=CO2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EE40>,2.6219400000000013,0.6777121399683695,1.9745771276029647,1.413983572238883
[C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][N],COC1=CC(C(=O)NCC2=CC=C(C)C=C2)=CC=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EEB0>,2.5158199999999997,0.8389961428602628,1.6195836525342955,2.5753970617670188
[C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][N][=N][O][Ring2][Ring1][Ring1],CC1=CC(C(=O)N2CCN(CC=3C=C[NH1]N=3)CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EF20>,0.6641199999999998,0.8901606064805687,2.734259827221676,1.7165432051811678
[C][O][C][C][O][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],COCCOCCNC(=O)N1C(C)=CC2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F97EF90>,2.17042,0.822670676424323,2.2724996010594527,1.8408537810621626
[C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][=C][Ring1][=C],CC(=O)N(C)C1=CC=C(NC(=O)CCC(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968040>,3.0440000000000014,0.8862862961756138,1.8919792602665986,2.5394522206114702
[C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][N][C],COC(C)C(=O)NC1=NN(C2=CC=CC=C2Cl)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9680B0>,2.807520000000001,0.942871641777691,2.8081293558212845,1.9062288530671703
[C][C][C][=N][NH1][C][Branch2][Ring1][Branch2][S][C][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][O][C][Ring1][=N][=N][Ring2][Ring1][Ring1],CCC1=N[NH1]C(SC2(C3=CC=C(C)C(Cl)=C3)CCOC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968120>,3.7368200000000025,0.930935759867559,3.7756128451976823,0.8790659541401133
[C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1],CC1CCN(C(=O)CNS(=O)(=O)C2=CC=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968190>,1.2233999999999996,0.9083303664683228,1.874046289896933,2.667605542444681
[C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][N][=Ring1][=Branch2][=C][Ring2][Ring1][Ring1],CC1=NN=NN1C2=CC=CC(NC(=O)NC=3C=CC4=NN=NN4N=3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F968200>,0.4474199999999996,0.5486410966635415,2.6095205723199513,0.13368491099775648
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][C][=N][Ring2][Ring1][=Branch1],C1C=CC=C1C(=O)N2CCC(OC3=NC=CC=N3)CC2C=N,<rdkit.Chem.rdchem.Mol object at 0x000002763F968270>,1.75087,0.8588872932305294,4.182381632952443,0.1120548332002036
[C][C][=C][S][C][Branch2][Ring1][Ring1][C][Branch1][C][C][N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][=N][Ring1][S],C1C=CSC1C(C)NC2=NC=C(Br)C=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9682E0>,3.802800000000002,0.9190508496359455,4.0694702126524795,0.5257840355272485
[C][N][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C],CN(CCC1=CC=CC(F)=C1)S(=O)(=O)C(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968350>,2.428300000000001,0.8446406323533107,2.283541121572929,1.9396620401936246
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N],CCS(=O)(=O)NC1CCN(C(=O)OC(C)(C)C)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9683C0>,1.3251999999999995,0.8510691537169394,2.211864020447594,2.0434817481371024
[O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][N][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2],O=C(C1=CC=CC=C1O)N2CCN3C2=NC4=CC=CC=C43,<rdkit.Chem.rdchem.Mol object at 0x000002763F968430>,2.4023000000000003,0.7438299281750301,2.1893028890324207,1.52984675184273
[C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][N][N][=C][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1],CC1=CC=C(NC(=O)CC(C)N2N=CC(C)=C2C)C(OC)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9684A0>,3.406760000000002,0.9204669106049836,2.767818735798425,1.8345158172264933
[C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][C][C][N][Ring1][S][C][Branch1][C][C][C],CC1=CC(C(=O)NC2=CC=CC=C2F)=C(C)N1C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968510>,4.077240000000003,0.898772930613535,1.9137927184683612,2.5800719345993137
[C][C][O][C][=C][C][=C][C][Branch1][=C][C][Branch1][Ring1][C][#N][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=N],CCOC1=CC=CC(C(C#N)C(F)(F)F)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968580>,2.6497800000000007,0.8013656124127405,3.3664354460887997,0.6403926159749025
[C][=C][C][N][Branch1][P][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][O],C=CCN(C(=O)C=1SC=NC=1C2CC2)C(C)CO,<rdkit.Chem.rdchem.Mol object at 0x000002763F9685F0>,2.0295,0.8015520697985804,3.5911282300352925,0.4166321189576099
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C],CCOC(=O)C(C)CC(=O)C1=CC=C(OC)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968660>,2.775620000000001,0.5853443237352791,2.458160159240254,0.46856145943614136
[C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][=C][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][Branch1][F],CC1=CC=C(NC(=O)C=C2C=3C=NN(C)C=3N=CN2N)C=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9686D0>,1.6963199999999998,0.6520491905805872,3.166473186435372,0.09377276646756405
[C][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1],CCN1N=C(CC(C)C)C=C1C(O)C2=CC=CC(N)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F968740>,2.7654000000000005,0.8233066814858792,3.094588656520587,1.0219447509088084
[C][O][C][=C][C][Branch1][P][C][=C][S][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][=C][C][=N][Ring1][S],COC1=CC(C2=CSC(C=3C=CSC=3)=N2)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9687B0>,3.9422000000000024,0.725254349903011,2.3498055566160065,1.2764661928990484
[C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Branch1][C][C][C],COC(=O)CN(C(=O)C1=CC=C(Cl)C(Cl)=C1)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968820>,3.0170000000000012,0.8033349431063359,1.9856040204475942,2.031070695084085
[C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CC(NC(=O)C1CC1)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F968890>,2.5520000000000005,0.8411069619518557,2.2076959112050787,1.9978388985541997
[C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2],CC1C(=O)NCCN1C(=O)C2CC(=O)N(C(C)C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F968900>,-0.40979999999999905,0.7392364308687092,3.279838554131832,0.416343600211714
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CC1=CC=CC=C1NC(=O)C(C)N2C(=O)OC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F968970>,3.1026200000000017,0.8073951499923513,2.376296403292221,1.6606793466695358
[C][N][N][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][C][Ring2][Ring1][=Branch1][=O],CN1N=C(C(=O)NC2=CC=C(C(=O)NC(C)(C)C)C=C2)C=CC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9689E0>,1.5609000000000002,0.8940263196924549,2.043798957836172,2.4263326406261028
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][C],CC1=CC=C(C)C(C(=O)COC2=CC=CC(N)=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968A50>,3.1473400000000007,0.6741499930692184,1.8167871147872177,1.5539628505588743
[C][C][C][Branch1][Ring1][C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O],CCC(CC)N(CCO)C(=O)C1=CC=C(C)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F968AC0>,2.323720000000001,0.8295239421713548,2.302286952574292,1.845332758282482
[C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][Ring1][=C],COC(=O)CCCN(C1=CC=C(N)C=C1Cl)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968B30>,2.3116000000000003,0.6488834868610642,2.2008113978940678,1.0436060364112532
[O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][S][Ring1][=N],O=C(NCC1=CC=CS1)C2=NC(C3=CC=C(F)C=C3F)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F968BA0>,4.079800000000002,0.7799116409229334,2.2616002802636785,1.6379579243509887
[C][C][C][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],CCCNC(=O)NCCN1C(=O)[NH1]C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F968C10>,1.0388000000000002,0.752413877865094,2.064851507627081,1.6972178816983892
[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][=C][Ring1][S][C],CC(=O)C1=C(C)[NH1]C(C(=O)N2CCCC(CO)C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968C80>,1.67864,0.8261351897145576,2.7389137381056674,1.3917622104671201
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C],CC1=CC=CC(C)=C1NCC2=CC=CC(N)=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F968CF0>,3.806160000000002,0.8006390268049391,1.947288041376531,2.055907092648165
[N][#C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C],N#CCC1=CC=C(NC(=O)CC2C3CCC(C3)C2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968D60>,3.763480000000003,0.913700815812631,4.163773056047727,0.40473102301542774
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][S][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][=C][Ring2][Ring1][C],COC1=CC=CC(SCC2=NC(N)=NC(N(C)C)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968DD0>,1.8206999999999998,0.8418303704049329,2.3527399712156143,1.8564118808090502
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][P],NS(=O)(=O)C1=CC=C(CCNC(=O)NC2CCOC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968E40>,-0.03540000000000032,0.7083080719434541,2.5577975388091545,0.983742820908116
[C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][N][=C][Ring2][Ring1][Ring2],CC1=CC=C(NC(=O)CCSC2=NN=C(C)C(=O)N2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F968EB0>,1.29764,0.80747816326735,2.5977596569380363,1.4396311593987132
[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2],CCC1=CC=CC(C)=C1NC(=O)C2=CC=C(F)C(C)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F968F20>,4.257240000000003,0.887654667683605,1.7418584527340943,2.6964148856839305
[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][NH1][C][=C][C][=Branch1][Branch2][N][Ring1][Branch1][C][N][=C][C][=C][Ring1][=C][Ring1][Branch2],FC(F)(F)C=C1C=CC[NH1]C=C2C(NCN=CC)C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F968F90>,2.1546000000000003,0.7716877468034892,5.400723656155226,-1.5422849221377803
[C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C][Cl],COCCOC1=CC=C(NC(=O)N(C)C(C)C2=CC=CO2)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A040>,4.183100000000003,0.7589724381041713,2.6930031538990438,1.1018590366218124
[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][=C][Ring1][S][C][Ring2][Ring1][Ring2],CC(=O)N1CCC2=CC=C(NC(=O)C=3C=C(C)OC=3C)C=C2C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A0B0>,3.0533400000000013,0.9267709161098192,2.1789568402815256,2.4548977402675707
[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][C][C][Branch1][C][C][C][=C][Ring1][P],C1CCNC(=O)C=CC=CC1NC(=O)C(C)OCCC(C)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A120>,2.1108999999999996,0.7060892206587491,4.638119418424218,-1.107673315130472
[C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2],CC(C)N(C)S(=O)(=O)C1=CC=C(C)C(C(N)=O)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A190>,1.1228200000000002,0.889960279632088,2.040955225323019,2.4088461728374213
[O][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][O][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][Ring1][S],O=C(NCC1CC12)CCOC3CCN(C4=NC=CC=N4)CC32,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A200>,0.8440999999999992,0.8326280125690873,4.396744185589124,-0.2336041227436878
[C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2],CC(C)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A270>,3.300500000000002,0.8034190353879228,3.5279945905538774,0.48910058638573695
[C][C][Branch1][C][C][C][=C][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][N][=O][N][=C][Ring2][Ring1][Branch1],CC(C)C1=CN=C(SCC(=O)NC2=CC=CC=C2NC(N)=O)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A2E0>,2.8213999999999997,0.5506598763114285,2.2703026088120613,0.48299677274508124
[C][C][C][Branch1][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Branch1][C][C][C],CCC(C)C(NC(=O)CC1=CC=CC=C1O)C(=O)N(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A350>,1.5537999999999998,0.8356098211251141,2.8296301929011527,1.3484189127244175
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C],CC(=O)C1=CC=C(NC(=O)N2CCN(C(C)C)CC2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A3C0>,2.7555200000000015,0.8736290519695219,2.015282587955987,2.3528626718916223
[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2],CCCOC1=CC=CC=C1NC(=O)C2CCN(S(C)(=O)=O)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A430>,2.0855,0.8601860970234321,1.922915494127679,2.378014990989481
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C][Branch1][=Branch1][C][Branch1][C][F][F][Branch1][C][C][C],COC(=O)C(N(C)C(=O)C1=CC=C(C)C=C1)CC(C(F)F)CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A4A0>,3.6801200000000023,0.6777662391415772,3.288879300909552,0.099951894798334
[C][S][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2],CSC1=CC=CC(NS(=O)(=O)C2=CC=C3[NH1]C(=O)[NH1]C3=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A510>,2.3789000000000007,0.6380242046351844,2.246141223191719,0.943979799984203
[C][C][=N][NH1][C][=N][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1],CC1=N[NH1]C2=NC=C(S(=O)(=O)NCCOC3=CC=CC=C3)C=C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A580>,1.6236199999999992,0.6687015805071077,2.3351425701766306,1.008365332358908
[C][C][O][C][=C][C][=C][Branch1][P][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][C][C][C][=C][Ring1][S],CCOC1=CC=C(CC(=O)NC(CO)C(C)C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A5F0>,1.7608999999999995,0.7895410052088978,2.309927162372869,1.6377778636716203
[C][=C][S][C][Branch2][Ring1][Ring1][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][=C][C][=N][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C],C1=CSC1C2=N[NH1]C=C2CCC3=CC=NC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A660>,2.2864999999999993,0.8961639397633512,3.983955806606069,0.49686389221068694
[N][#C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],N#CCCNC(=O)CSC1=NN=NN1C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A6D0>,0.9233799999999992,0.6295557484784928,2.2824920819706307,0.8652866604218334
[N][#C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=C],N#CCC(=O)N1CCN(C(=O)NC(C)(C)C)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A740>,0.05698000000000075,0.702723608091539,3.0263023371896756,0.48731570326801954
[C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][Cl][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],CC(C(=O)NC1=CC(C#N)=CC=C1Cl)C2=NC3=CC=CC=C3[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A7B0>,3.830180000000002,0.7677938267892439,2.6867789385677483,1.1521901953784712
[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][O][O][Ring1][=N],OC1=CC=CC=C1C2=NN=C(C3=CC(O)=CC=C3O)O2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A820>,2.520400000000001,0.61860000100923,2.2789417063226107,0.814058298723539
[N][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][#Branch1],NC1=CC(=O)[NH1]C(C2CCN(C(=O)CCC3=CC=CN=C3)CC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A890>,1.0858999999999992,0.8742271798076268,2.5427826367659385,1.828353262272195
[N][#C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][N][C][Ring1][S],N#CC(C1=CC=C(C(F)(F)F)C=C1)CCNC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A900>,2.922080000000001,0.880707616326695,2.882911458779981,1.5206266228534941
[C][C][O][C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N][C][C][Ring1][S],CCOC1CC2(CCN(C(=O)CC(C)C)CC2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A970>,3.2303000000000024,0.7823898408736115,3.483249570123757,0.4286996342443006
[C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][#C][=N][Ring2][Ring1][=Branch1],CCC1=CC(=O)[NH1]C(C2=CC=C(NC(=O)NC3CCCC3)N=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97A9E0>,2.4584,0.8028273015056572,2.510328456163931,1.5038080513643548
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=C][Ring2][Ring1][Branch1],COC1=CC=CC(C2(NC(=O)C3=CC=NC=C3)CCCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AA50>,3.6796000000000024,0.9369459175266021,2.1903608981173477,2.494368689515663
[C][C][=N][C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][=C][S][Ring2][Ring1][=Branch1],C1C=NC(CC(=O)NC=2C=NN(C3=CC=CC(Cl)=C3)C=2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AAC0>,3.513300000000002,0.9315955989434321,3.1062356168021417,1.5517423779150192
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P],COC(=O)C1=CC=C(C)C(NC(=O)C2=CC=C(C)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AB30>,3.342340000000002,0.8788816477928747,1.499704628389729,2.894703610574645
[C][C][=N][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][Branch1][C][C][S][C][Ring1][=Branch1][=N][Ring1][P],CC1=NC(NCC2CCCO2)=C3C=C(C)SC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97ABA0>,2.899040000000001,0.9246424472489213,2.9429767809349414,1.6802354553096652
[O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][Ring1][N][N][C][C][=C][S][C][=N][Ring1][Branch1],O=C(CSC1=NN=C(C2=CC=CC=C2F)N1)NCC3=CSC=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AC10>,2.4758000000000004,0.6681102305433755,2.703195570907244,0.6373555818096333
[N][#C][C][=C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][C],N#CC1=CC=NC(SCC(=O)C2=CC=C(Cl)C(Cl)=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AC80>,3.6300800000000013,0.4879707493327965,2.3743399712156137,0.06551377544836878
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][O][N][=C][Ring2][Ring1][Ring1],CC1=CC(C)=CC(N2N=NC(C3=CC=CN=C3)=C2N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97ACF0>,2.52834,0.7726359244997569,2.3318485889137044,1.5313310335850803
[C][C][C][N][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],CCCN(CC(=O)OCC)C(=O)OC(C)(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AD60>,2.1966,0.696665697206628,2.1195466517706265,1.3637818342625132
[C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][S][Ring2][Ring1][Ring1],C1C=CN=C1NC(=O)NC(C)C2=CC=C(C)C(Br)=C2S,<rdkit.Chem.rdchem.Mol object at 0x000002763F97ADD0>,3.722320000000002,0.6968854338606155,3.83858529987723,-0.35415813057415235
[C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][C][Ring1][=C],CCCNC(=O)C1CCN(C2=NC(C)=CC(C)=N2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AE40>,1.83604,0.9113267785141358,2.036088322863966,2.520545569706713
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=C][N][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][C][C][C][Ring2][Ring1][Ring1],COC(=O)C(NC(=O)CSC1=CN=CC=C1CC)CCCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AEB0>,2.5841000000000003,0.5584050469049969,2.7911585844743367,0.0008666500506477881
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N],CC1=CC=CC=C1OCCSC2=NN=C(C)N2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AF20>,1.7798399999999996,0.5063733434201803,2.1636190459014166,0.36824767119948465
[C][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring1][S][Cl],C1C=CC=CC(OCC2=CC=CC(N)=C2)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F97AF90>,3.751900000000002,0.8259600861123833,2.914343818889222,1.2154566116726944
[C][C][=Branch1][C][=O][C][O][C][Branch1][C][N][=C][Branch1][Ring1][C][#N][C][=Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F],CC(=O)COC(N)=C(C#N)CC1=CC=CC=C1C(F)(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D040>,2.5473800000000013,0.669225026899548,2.9397048841684335,0.4064202503293064
[C][C][C][N][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],CCCN(C(=O)OCC1CCC(=O)N1)CC2=CC=CC=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D0B0>,2.6222200000000004,0.8786417794669817,2.8454800261210043,1.5477288712139048
[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][P],CCNC(=O)C1=CC=C(C)C(NC(=O)C2=CC=CC=C2Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D120>,3.650420000000002,0.9042122687172298,1.626199271436441,2.8948620721497083
[C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S][N],CCOC1=CC=C(C(=O)NCC2=CC=NC=C2)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D190>,1.9924999999999997,0.8152605213522971,1.8337951476181598,2.242507459143326
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C],CN(C)C(=O)C(N)C1=CC(Cl)=CC=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D200>,1.4365999999999997,0.8727135787266755,2.6226163814325254,1.7409515122008523
[C][C][=N][NH1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][N][=C][Ring2][Ring1][=Branch1][C],CC1=N[NH1]C(=O)C(C(=O)NC2=CC=CC(CN3C=CC=N3)=C2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D270>,1.8838400000000004,0.7665420202747636,2.347346152406308,1.48536394896751
[C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],CC1=CC=CC(O)=C1NS(=O)(=O)C2=CC=CC(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D2E0>,2.6405200000000004,0.8499003075092089,1.9428640322819142,2.3066375052641304
[C][C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][=C][C][=C][Ring1][O][C][C][O][Ring2][Ring1][Ring2],CCCC1CN(C(=O)NC2=CC(C3=NC=CO3)=CC=C2C)CO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D350>,3.6403200000000018,0.9350374695657551,3.160039347389695,1.5151480004390798
[N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][Ring1][=C],NC1=NC(=O)[NH1]C=C1C=C(C2=CC=NC=C2)SCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D3C0>,1.9983,0.8903773285418464,3.269805353780928,1.1820812889283037
[C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1],CC(CC1=CC=C(Br)C=C1)NC(=O)C2CC=CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D430>,3.462500000000002,0.8480402234684541,2.60711487700177,1.6330862403405
[C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][C][C][C][C][C][C][C][Ring1][=Branch1],CCNC(=O)CNC(=O)NC(CC)C1CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D4A0>,1.7805999999999989,0.6876471088918842,2.704241709654326,0.7339938348050947
[C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][=C][Ring2][Ring1][Ring1],CC1=CC=C(C(C)OC(=O)C2=CC=NC=C2F)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D510>,3.7555400000000025,0.7993040318474985,2.6229886565205867,1.3735315027169062
[C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][O][C][=C][C][Ring1][#C][N][S][Branch1][C][C][=Branch1][C][=O][=O],C1C=C(C(=O)OC2CCCC2)OC=CC1NS(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D580>,1.2079,0.7892640802765961,3.76788067949761,0.1784397218853706
[C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=N][Ring1][#Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C(OC2CCN(C(=O)C3=CC=C(O)C=N3)CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D5F0>,2.7792200000000014,0.9463920000459887,2.105237675071736,2.626722325158207
[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch1],COC1=CC=C(C(=O)N2CCC(OCC3=CC=CC=C3Cl)CC2)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D660>,3.565000000000002,0.8176036504661875,2.1109646977151044,1.977053554615833
[C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][N],CC1=NOC(C)=C1NC(=O)CSC2=NN=C(C3=CC=CS3)N2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D6D0>,2.05604,0.5347942182432629,2.5008219031513477,0.1731491880649667
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N],CC(C)S(=O)(=O)C1=CC=C(C(F)(F)F)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D740>,2.4697,0.8372539514874199,2.269275168602631,1.9169945888344682
[C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1],CN1N=CC(Br)=C1C(=O)NCC2CCOC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D7B0>,0.9489000000000001,0.900617338692177,2.9959346231907684,1.5071520702701164
[C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C],CCN(C(=O)CSC1=NN=CN1C)C2=CC=C(C)C=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D820>,2.577140000000001,0.7967382469434199,2.3502857954984826,1.6334054392186168
[O][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][N][C][C][C][C][C][C][Ring1][=Branch1],O=C(CCN1C(=O)OC2=CC=C(Cl)C=C21)NC3CCCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D890>,3.0869000000000018,0.9404039077976568,2.166327752791153,2.5356917861971313
[N][#C][C][N][=N][N][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],N#CC=1N=NN(C2CCCO2)C=1C3=CC=C(Cl)C=C3Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D900>,3.4325800000000015,0.8522589447000585,3.3041063157035095,0.9571884077967825
[C][C][O][C][=C][C][=C][Branch1][S][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][S][O][C],CCOC1=CC=C(CSC2=NN=CN2C3CC3C)C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D970>,2.826500000000001,0.7250174462275041,4.393526946104003,-0.7684397149664823
[C][O][C][=Branch1][C][=O][C][N][Branch1][#C][C][C][=C][NH1][N][=C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][C],COC(=O)CN(CC1=C[NH1]N=C1C2CCCC2)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F97D9E0>,2.4507000000000003,0.8126296315575977,2.9097336525342943,1.1534145052536946
[C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],COCCOC1=CC=CC=C1C(=O)NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DA50>,2.964100000000001,0.82162087535304,1.4978412595824189,2.6102631171827806
[O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C][N][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][=N],O=S(=O)(C1CC1)N2CCCN(CC3=CSC=N3)CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DAC0>,1.1429999999999998,0.836795075699508,2.5235668922424654,1.6604084862550739
[C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],CN(C1CCCCC1)S(=O)(=O)NCCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DB30>,1.7229999999999996,0.8694483106986655,2.293348993772005,2.053892559721322
[C][=C][C][N][C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C][#N],C=CCNCOC(C1=CC=CC=C1Cl)=NOCC#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DBA0>,2.29148,0.20764784995068408,3.207725866601441,-2.1694866168480207
[C][C][Branch1][Ring1][C][#N][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C][C][C][C][Ring1][Ring1],CC(C#N)(NC(=O)COC(=O)C1=CC2=CC=CC=C2C=C1O)CC3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DC10>,2.900780000000001,0.7788605461860957,2.971926791152251,0.9223759397782274
[C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C],CCCNC(=O)C(C)SC1=NN=C(C2=CC=CS2)N1CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DC80>,3.0333000000000014,0.7953765929454549,2.659315661364566,1.3175673033627087
[C][S][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S],CSC1=CC=CC(NC(=O)NC2CCCCC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DCF0>,3.862700000000003,0.8138379889643317,1.8605467869386612,2.2086431578829977
[N][#C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1],N#CCCCOC1=CC=CC=C1C(=O)NC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DD60>,3.0164800000000005,0.8257457759883269,1.9547649319075795,2.1739639480340553
[C][C][=N][O][C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring1][P][=N][Ring2][Ring1][=Branch1],CC1=NOC(C2=CC=NC(NCC3=NC4=CC=CC=C4[NH1]3)=N2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DDD0>,2.3234199999999996,0.5956646145297508,2.48269882274759,0.49562424990116405
[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][O][Ring1][Branch1],COC1=CC(C)=CC=C1NC(=O)CC2C3CCC2O3,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DE40>,2.509620000000001,0.905559761932979,3.6399411360815304,0.8878576735833645
[C][C][C][Branch1][C][C][N][Branch1][N][C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1],CCC(C)N(CC#CC1=CC=CC=C1)C(=O)NC2=CC=CN=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DEB0>,3.7657000000000025,0.87404425814309,2.8512071795575267,1.5190141111579232
[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][=C][Ring1][S],COC1=CC=C(F)C(NC(=O)C=2SC=CC=2C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DF20>,3.456520000000002,0.9225973944268003,1.8682431182996062,2.744743853834396
[C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][O][Ring1][#C],CCC=CC=C1C=CN(C2=CC=CC=N2)S1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F97DF90>,3.6546000000000025,0.801500917753066,4.498749872540135,-0.4912452837748056
[C][=C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][N][=C][N][Branch1][Ring1][C][C][N][=Ring1][#Branch1],C=CCN(CC1=CC=CC(C#N)=C1)CC=2N=CN(CC)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960040>,2.3578799999999998,0.7310122461175338,2.789328235816786,0.865732994770883
[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],CC(=O)NC1=CC(F)=C(F)C=C1NC(=O)C2=CC=C(C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9600B0>,3.4839200000000012,0.9117250952369844,1.819283357186757,2.739342118998165
[C][C][N][Branch1][Branch1][C][C][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CCN(CCC#N)S(=O)(=O)C1=CC=C2C=CC=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960120>,2.7640800000000008,0.8495845264894997,2.0409666195672607,2.2069560128802372
[C][C][=C][N][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=N][Ring2][Ring1][C],CC1=CN=C(S(=O)(=O)CC2=CC=C(Cl)C=C2CC)N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960190>,2.907820000000001,0.9437523225509161,2.6724285293233336,2.0463330834312465
[O][=C][N][Branch1][#Branch1][C][C][C][C][O][N][C][C][O][C][C][Ring1][Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=Ring1][N],O=C1N(CCCCON)C2C=3OCC2N(C4=CC=CC=C4)C1=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F960200>,0.9983000000000005,0.6269314579266008,4.771677840879239,-1.637020551246235
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2],CCN(CC)C(=O)CCC(=O)NC1=CC=C(C)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960270>,2.7212200000000006,0.8706970763436013,1.8731363082119508,2.480349073506056
[F][C][=C][C][=C][C][Branch2][Ring1][N][C][S][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring1][=C][=N][Ring2][Ring1][=Branch1],FC=CC=CCCSC1=CC=C(C2=CC=C3C(=C2)OCO3)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9602E0>,5.196900000000003,0.4162195435496842,3.093077676713383,-1.0119799589649623
[C][C][S][C][N][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][NH1][C][=Branch1][C][=O][C][=Ring1][N][C][=Ring1][S][C],CC=1SCN=C(C=2C=NN(C)C=2)[NH1]C(=O)CC=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F960350>,1.6711999999999998,0.8390946471420231,4.099946804603581,0.09552643110653403
[C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][S][Branch1][C][N][=Branch1][C][=O][=O],COC1=CC(NC(C)=O)=CC=C1S(N)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9603C0>,0.30100000000000005,0.7984547293577122,1.8642275962274528,2.1280460505611085
[C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1],CC(=O)N1CCCC1C(=O)NCC2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960430>,1.3751999999999998,0.8831180461910096,2.480675421990684,1.934914808964364
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N],CCC(CC)C(=O)NC1=CC=C(C(=O)NC2CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9604A0>,2.953500000000001,0.8375688936881502,1.79527439679004,2.3925700716507112
[C][C][=C][C][=C][Branch1][C][C][C][C][=N][N][Branch1][P][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2],C1C=CC2=C(C)CC=NN(CCC(=O)N3CCCCCC3C)C12,<rdkit.Chem.rdchem.Mol object at 0x000002763F960510>,3.504100000000003,0.7988597081355958,4.02798388790036,-0.03368534722238126
[C][C][O][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1],CCOC(=O)CN(C)C(=O)C=1SC=NC=1C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960580>,1.6556,0.761935806706454,2.670876964453454,1.138802069078816
[N][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring1][#C][N],NC(=O)C=1C=NN(C2=CN=C3C=CC=CC3=C2)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F9605F0>,1.1016,0.7137940070268014,2.2686284307040037,1.3003416044300034
[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][=C][S][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Ring1][Branch2][C][=Ring1][O][C][C][=C][Ring2][Ring1][C],COC1=CC=C(C=2N=C3SC(C4CC4)=NN3C=2)CC=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960660>,3.541800000000002,0.8655650506916925,3.4280165911474043,0.8998086623110586
[C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C],CN1CCN(C(=O)CCNC2=CC(F)=CC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9606D0>,1.4016999999999997,0.8936461233060851,1.8876386871142614,2.5805919294161637
[C][C][C][O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C][C][=C][Ring1][S],CCCOC1=CC=C(CNC(=O)C=2SC=NC=2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960740>,3.170320000000001,0.8887157967668969,1.978125511990628,2.4654534718438565
[Br][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1],BrC1=CN=C(NCC2=CC(C3=CC=CC=C3)=NO2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9607B0>,4.111200000000003,0.7820424988833605,2.1092427836574092,1.8009697107593934
[C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2],CC1=CC(=O)[NH1]C(SCC(=O)NCCC2=CCCCC2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960820>,2.1771199999999995,0.4797270257450898,2.639561312739861,-0.24092618401441213
[C][C][=N][C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=C][Ring1][#C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1],CC1=NC(NCC2=CC=CC=C2Cl)=CC=C1C3=NC(C)=NO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F960890>,4.0139400000000025,0.7878121778491615,2.3011958846592844,1.6378650045865228
[C][C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],CCNC(=O)C1=NC2=CN=C1OC3=CC=CC=C32,<rdkit.Chem.rdchem.Mol object at 0x000002763F960900>,1.9989999999999999,0.7448913759967835,3.203820891106714,0.5206359888772032
[C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][O],CC=1OC=CC=1C(=O)NC2=CC=CC(C=3C=N[NH1]C=3)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960970>,3.2304200000000005,0.7649218552102353,2.2216728245691577,1.6029364514820186
[O][=C][C][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][S][N][C][=N][C][=N][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][=C][Ring1][P],O=C1CCCCN1C=CC=CCNC2=NC3=NC=NN=C3S2=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9609E0>,1.6045,0.6696087346927867,4.731380386947153,-1.3833367134832195
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][Branch1][C][O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2],COC1=CC=CC(OCC(O)CSC2=NN=CN2C(C)C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960A50>,2.3996000000000004,0.752399416171593,2.8119232022996634,0.9500738785583014
[C][C][Branch1][Ring1][C][#N][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F],CC(C#N)CN(C)C(=O)C1=CC(Br)=CC=C1F,<rdkit.Chem.rdchem.Mol object at 0x000002763F960AC0>,2.8198800000000013,0.8611404616496262,2.7380865758368387,1.5676157324112925
[O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1],O=C(CC1=CC=C(F)C=C1)NCCCNCCNC(=O)C2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960B30>,0.9902999999999996,0.5629720294759405,1.9365059268199882,0.8783542205597143
[C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][Ring1][P][=O],CC(=O)C(C1=CC=CC=C1)CCN(CCC(C)C)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F960BA0>,3.253800000000002,0.6487054133380576,3.0406616635135943,0.20286540317669388
[O][=C][Branch2][Ring1][Ring2][N][C][C][O][C][=C][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1],O=C(NCCOC1=CC=CN1CC2=CC=CO2)C3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F960C10>,2.531200000000001,0.6807273893504102,2.516500398606876,0.887136548145175
[C][O][C][C][C][N][Branch2][Ring1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring1][P][Ring2][Ring1][Ring2],C1OCC2CN(C(C)C(=O)C3=CC=CC=C3N)C(=O)C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F960C80>,0.9448000000000003,0.657552219680781,3.765679629537848,-0.4779185311339429
[C][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][C][=N][C][Branch1][C][C][=C][C][=C][C][=N][N][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][C],CC1=CC=CC(OCC2=NC(C)=C3C=CC=NN23)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960CF0>,2.9251400000000007,0.7201255963904705,2.2756089435245173,1.3250190384278353
[C][C][=C][C][Branch1][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][C],CC=C1C(C)=C(C(=O)NCCC2=CC=CC=C2)C(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960D60>,3.0401000000000016,0.8956278940012347,2.4761561800068215,2.0019832899993517
[C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],CCCC(NC(=O)C1=CN=CC=N1)C2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960DD0>,2.7478000000000007,0.8933744079551847,2.3752873990592605,2.091584640716663
[C][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][=C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1],CC1=CC(C(=O)NC(C)CO)=CC=C1NC(=O)N2CCOCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960E40>,0.9697199999999998,0.7705322888599982,2.461066161200886,1.3915952830991052
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1],CC(C)NC(=O)CNC1=CC=CC=C1C(=O)C2CCCC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F960EB0>,2.9960000000000013,0.7911517133594514,2.0205088094804093,1.9352497573168481
[C][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],CC1CCCCC1OCCC(=O)NC2=CC=CC=C2OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F960F20>,3.619100000000002,0.8705020392167824,2.6387715115824726,1.7137386845014397
[C][C][=N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring2][Ring1][C],CC1=NC(CNC(=O)CSC2=CC=C(Cl)C=C2)=CS1,<rdkit.Chem.rdchem.Mol object at 0x000002763F960F90>,3.5134200000000018,0.8590325913036644,2.0210386871142614,2.2741242694040604
[C][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][C][=Ring1][S][S][Ring2][Ring1][Ring1],CC1=CC=2C(=O)N(CC3=CC=C(Cl)C(Cl)=C3)C=NC=2S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959040>,4.121520000000002,0.7102271487141942,2.195910026160668,1.3552257174103035
[O][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(C1=CC=NC=C1F)N(CC(F)(F)F)C2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9590B0>,2.8248000000000006,0.8187366900910912,2.4851855302464934,1.6084979202089622
[C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][O][C],COC(=O)CCCC(=O)C1=CC(C)=CC(C)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F959120>,2.8380400000000012,0.5853482575884471,2.0550000747462356,0.8717412131960001
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C],COC(=O)C1=CC=CC(OCC2=CC=C(F)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959190>,3.191300000000002,0.791855982722114,1.5008463794219544,2.4584335341886154
[C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C],CNC(=O)NC(C)(C)C(=O)NCC=1C=NN(C2=CC=CC=C2)C=1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F959200>,1.5045199999999999,0.7766883567760375,2.417063573220787,1.4663782106594008
[C][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2],C#CCOC1=CC=C(F)C=C1NC(=O)N2CCC3=NOC=C3C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F959270>,2.4159000000000006,0.8833694540905854,2.898527884861947,1.5183193855909805
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][O][C][C][Ring1][=N],CS(=O)(=O)NCC1(C2=CC=C(Br)C=C2)CCOCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9592E0>,2.0465,0.9061647777658455,2.443307288952674,2.087516599876553
[O][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][O][Ring1][Branch1],O=C(CCC(=O)N1CCCC1C2=CC(F)=CC=C2)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F959350>,2.765500000000001,0.7865552257651757,2.7293528852711617,1.2034232435547167
[C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][Branch1][C][O][=C][Ring1][P],COC1=CC=C(C(=O)OCCN2C=NC=N2)COC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9593C0>,0.30820000000000003,0.7130924015594136,3.2697829295385032,0.29567907825856476
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][C][O][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][C][=C][Ring1][=C][Ring1][=N],COC1=CC=C2C(=C1)OC(O3)C24OC(=O)C=C(OC)C(C)=CC=C34,<rdkit.Chem.rdchem.Mol object at 0x000002763F959430>,2.5565000000000007,0.7776509112869079,5.080412493087635,-1.1921579366530954
[C][C][Branch1][C][C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][N][=C][Branch1][C][N][O][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1],CC(C)C(NS(=O)(=O)C1=NN=C(N)O1)C2=CC=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9594A0>,1.3888999999999998,0.8629683531076856,3.439568286633225,0.8752734789052026
[C][O][C][C][C][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],COCCCNC(=O)CCC1=NC2=CC=CC=C2S1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959510>,2.3815999999999997,0.7911453457781662,1.9661574749930484,1.9895692538977827
[C][S][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][=N][C][#N],CSC=NC(C)=C(C)C(CN1C=CN=C1)=CC#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F959580>,3.0182800000000016,0.3537479886898593,4.06048804137653,-2.2917480979272336
[C][S][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][#N][C][Branch1][C][C][C][=C][C][=N][Ring1][S],CSC1=CC(C(=O)NC(C)(C#N)C(C)C)=CC=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9595F0>,2.4715800000000003,0.847444014025812,3.111774266142043,1.1254458039870174
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][N][=Ring2][Ring1][Branch2],CC=1C=C(C)N(C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4[NH1]3)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959660>,4.222740000000003,0.5905167732996639,2.103612774638181,0.8489710918601383
[C][C][=C][C][=C][O][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][=C][=C][Ring2][Ring1][C],CC1=CC=C2OC(C(=O)NC3CCOCC3)=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9596D0>,2.6500200000000005,0.9016522728610779,2.1401734190489936,2.368087945256396
[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2],CCCS(=O)(=O)NCC1=CC=C(OC)C(F)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959740>,1.6636999999999997,0.8470417082720471,1.9674585550847041,2.267749986275531
[C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=C][Branch1][C][Br][C][Branch1][C][C][=N][N][Ring1][Branch2][C][C][Ring1][N][=O],CC1=NN(C)C(C2)=C1N3C=C(Br)C(C)=NN3CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9597B0>,1.50292,0.7257750307092329,4.005962257133985,-0.37708710358782005
[C][S][C][=N][NH1][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][#N][=N][Ring2][Ring1][C],CSC1=N[NH1]C(SCC(=O)NC=2SC=CC=2C#N)=NN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959820>,1.3892799999999998,0.7756823882071746,3.2966170099663366,0.5817949310695365
[C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][S][C],COC1=CC=C(S(=O)(=O)NCC=2C=C[NH1]N=2)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F959890>,1.20522,0.8623465417140305,2.5915630218989723,1.7201696866711798
[C][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][NH1][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][O],CCOC(C)C(=O)NC1=CC=C2N=C[NH1]C(=O)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959900>,1.2865999999999997,0.8681003139532868,2.7022039738052683,1.6382975959611654
[C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Branch1][C][N][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][N][=C][Ring1][N][Ring1][=Branch1][C][Ring2][Ring1][Ring2],CC(=O)N1CCCC(CNC2=C(C#N)C=CC3=CC=CN=C23)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959970>,2.776880000000001,0.9463524217869964,2.941687599137948,1.7900745097970336
[C][C][C][C][C][=N][N][=C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][N][Ring1][#C][Ring1][N],CCCCC1=NN=C2SC(C3=CC=CC(N)=C3)=NN12,<rdkit.Chem.rdchem.Mol object at 0x000002763F9599E0>,2.7775999999999996,0.7420503530027962,2.378825726741301,1.3314260382726801
[C][O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1],COC=1C=C(C)SC=1C(=O)N(C)CC=2C=NN(C)C=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F959A50>,2.07082,0.8605132232245972,2.513573203879547,1.7889929122434394
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1],CC1=CC(C)=C(NC(=O)C2=CC=C(N3C=NC=N3)N=C2)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959AC0>,2.8398600000000016,0.8072818457479072,2.196074447530046,1.8403347812094895
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N][=C][Ring2][Ring1][#Branch1],CC1=CC=C(C)C(NC(=O)C2=CC=C(S(=O)(=O)NC(C)C)C=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959B30>,3.242440000000002,0.8725313549042852,1.7729724489604344,2.5896843255609916
[O][=C][Branch2][Ring1][Ring2][O][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][=C][C][=C][O][Ring1][Branch1],O=C(OCC1CC(=O)OC2=CC=CC=C21)NCC3=CC=CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F959BA0>,2.598700000000001,0.6934753618101709,2.8937451781061156,0.5736316309447389
[C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1],CCC(=O)N1CCCCC1C(=O)NC=2C=C(C)ON=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F959C10>,1.71262,0.9023696470964548,2.607553756098449,1.9042944793838252
[C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring2][Ring1][Ring1],CC1=CC=CC(NC(=O)CCNC(=O)C2=CC=CS2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959C80>,2.21012,0.886204307216488,1.9898485889137039,2.4411729471687362
[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O],O=C(NC1=CC=CC=N1)NC2=NN=C(C3CCCCC3)S2,<rdkit.Chem.rdchem.Mol object at 0x000002763F959CF0>,3.6248000000000022,0.9071368848452832,2.225591014973112,2.3100934092533034
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N],COC1=CC=CC=C1CNC(=O)C2=CC=CC(C)=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F959D60>,2.5158199999999997,0.8389961428602628,1.7379880481386891,2.456992666162625
[C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1],COC(=O)C(CC(C)C)NC(=O)NC=1C=C(C)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959DD0>,1.6922199999999998,0.7932811974517314,2.648425317611297,1.3179806696473602
[O][=C][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(CCC(=O)N1CCC2=CC=CC=C21)NC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F959E40>,2.994600000000001,0.942082115464973,1.73303249180214,2.9773780855227248
[C][C][=C][C][=C][NH1][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C],CC1=CC=C2[NH1]N=C(C(=O)NC3=CC=NC=C3)C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959EB0>,2.5186200000000003,0.7358073447225532,2.0547250274406004,1.6243116961721653
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][C][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=N][Ring1][N],CC1=CC=CC(C)=C1NCC2=CC(=O)N3C(C)=CC=CC3=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F959F20>,3.231860000000002,0.806172303719685,2.271448419221498,1.7594130993769266
[C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][=N][O][Ring2][Ring1][Branch1],CC1=CC(CN(C)C(=O)C2OC3=CC=CC=C3NC2=O)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F959F90>,1.3411199999999999,0.8648130431182629,3.133241068304626,1.1908241472866887
[C][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1],CCCOC1=CC(OC)=CC=C1C2=NC(C)=CS2,<rdkit.Chem.rdchem.Mol object at 0x000002763F947040>,3.9159200000000034,0.8190806332456244,2.0073692721457608,2.0880338940823613
[C][C][=C][S][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][Ring1][S],CC1=CSC(CNC(=O)C2=CC=CC=C2O)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9470B0>,2.08712,0.8738785799886842,1.9583050433790188,2.4110878565644027
[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P],CNC(=O)NC1=CC=CC(C(=O)NCCC2=CC=CC=C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947120>,2.4104,0.792898524229709,1.632134346197745,2.3323582749508
[C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],CNC(=O)C(NC(=O)C1=CC=C(F)C=C1)=NC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F947190>,2.0317,0.6577638365689046,2.3019881214547464,0.9868310613897764
[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C],CCC(=O)NC1=CC=CC(NCC2=CC=CC=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947200>,3.042200000000001,0.8630284461742596,1.7816511812867546,2.5334910495845433
[C][O][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C],COCCNC(=O)CN1C=NC2=C1C(=O)[NH1]C(=O)N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F947270>,-1.8140999999999985,0.6272254965652689,2.4013406904963333,0.7347867923300115
[Br][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][C][Ring1][O][=C][Ring1][#C],BrC1=CC=C2N=C(C3=CC=NC=C3)[NH1]C2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9472E0>,3.387400000000002,0.7385991700678638,2.046488573548004,1.646507276791315
[C][C][=N][C][Branch1][O][S][C][C][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Branch1][C][C][S][C][Ring1][=Branch1][=N][Ring2][Ring1][C],CC1=NC(SCCC=2C=N[NH1]C=2)=C3C=C(C)SC3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947350>,3.3660400000000017,0.591063381557441,2.881108803664377,0.07420810412282774
[O][=C][Branch1][=Branch2][C][C][=C][C][=C][NH1][Ring1][Branch1][N][C][C][#C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],O=C(CC1=CC=C[NH1]1)NCC#CCOC2=CC=C3C(=C2)OCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9473C0>,1.4845,0.8204954949830852,2.739512397408223,1.3629650775072024
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S],CS(=O)(=O)C1=CC=C(S(=O)(=O)NCC2=CC=CS2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947430>,1.6300999999999997,0.9028318491376004,1.956224606580248,2.5579346391077538
[C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2],CNC(=O)CNC(=O)CC1NCC2=CC(Cl)=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F9474A0>,0.7365999999999996,0.7622334205331825,2.89418481560498,0.9169822870609328
[C][C][=N][C][Branch1][=N][N][C][C][O][C][=N][O][N][=C][Ring1][Branch1][C][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring2],CC1=NC(NCCOC2=NON=C2C)=C3C=NN(C)C3=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947510>,0.8540399999999995,0.6894154928712931,2.8146990050475544,0.632378459308911
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1],COC1=CC=C(OC)CNC(=O)CC2=CC=C(NC(C)=O)C=C2C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947580>,2.3911,0.8842225853958339,3.4575932081949023,0.9635197187842675
[N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C],N#CC1=CC=C(OCC(=O)NC2=CC=CC(F)=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9475F0>,2.714880000000001,0.928690488606379,1.670874499844878,2.9725779431870176
[C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][C],CCCN(C(=O)COC1=CC=CC=C1Cl)CC(OC(C)C)CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F947660>,4.161000000000003,0.6410370158073952,2.8396582285085774,0.36552685052839884
[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=N][C][=C][Ring1][=Branch1][F],O=C(NC1=CC=CC=C1OC(F)(F)F)C2=CC=NC=C2F,<rdkit.Chem.rdchem.Mol object at 0x000002763F9476D0>,3.371600000000001,0.884179100125702,2.0411584745435754,2.3797370260849346
[O][=C][C][=C][Branch1][Ring2][NH1][Ring1][Branch1][N][C][C][O][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],O=CC1=C([NH1])NCCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947740>,-0.7429000000000003,0.47157811948892,4.352356622610172,-1.994466025165572
[C][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1],CC(=O)C=1SC(C2=CC=NC=C2)=NC=1C3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9477B0>,3.4697000000000022,0.6897184505487279,2.2389256097150447,1.2096666430285952
[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][#Branch1][S][C][Branch1][C][F][F][=C][Ring1][#Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][Ring1][Ring1],O=C(NC1=CC=CC(SC(F)F)=C1)N(CC2=CC=CS2)C3CC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F947820>,5.259300000000003,0.7178263200031649,2.3778701871750165,1.2112614128408081
[C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1],CN1C=C(C(=O)OCC2=CC=CC=N2)C3=CC=CC=C31,<rdkit.Chem.rdchem.Mol object at 0x000002763F947890>,2.9303000000000017,0.6845484020900805,1.951367254277379,1.4713747561730237
[C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][C],COC1=CC(C(=O)NC2=CC=NC=C2)=CC(OC)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F947900>,2.6595200000000006,0.9291468525979136,1.862378432754074,2.783355830235494
[C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N],CC(NC(N)=O)C(=O)NC1=CC=C(Br)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F947970>,1.0265999999999997,0.6256056809877085,2.4598988835291458,0.668129521409397
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],CC1=CC=CC=C1CC(=O)N(C)CC(=O)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9479E0>,1.27452,0.8665829500010583,1.8958643281399041,2.4370504218653872
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring2][Ring1][Branch1],C1CC=C(C)N1C(C)C(=O)NC2CC2C3=CC=CC=C3F,<rdkit.Chem.rdchem.Mol object at 0x000002763F947A50>,2.7958000000000007,0.9237318242505824,3.6958521090766236,0.9228070121762881
[C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1],CCOC1=CC=C(C(=O)NC2=CC=CC=C2N3CCOCC3)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947AC0>,3.1742000000000017,0.9167620935095472,1.727368847946062,2.856441619601674
[C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][S][C][=N][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][Ring1][N][C][=C][Ring2][Ring1][=Branch1],CC1=CC=C(C(=O)NCC2CSC3=NC=C(C)C(=O)N3C2C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947B30>,2.22722,0.8628369442170197,4.1937292987395205,0.12045542234557782
[O][=C][Branch2][Ring1][=Branch1][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1],O=C(NCCCC(=O)N1CCC2=CC=CC=C21)C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F947BA0>,2.7859000000000007,0.8635501227743865,1.77723919892102,2.5405114149509123
[O][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1],O=C(CCC(=O)C1=CC=C(Br)C=C1)NCC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F947C10>,3.123400000000001,0.8171312681487242,1.8392997742783237,2.2463565664652974
[C][C][=N][C][=N][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1],CC1=NC2=NC=NN2C(=O)C1CCC(=O)NC3=NC=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F947C80>,1.5158999999999998,0.9221210586998033,3.470702075966912,1.1399032175321047
[C][C][Branch1][C][C][C][=N][NH1][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][O][=N][Ring1][S],CC(C)C1=N[NH1]C(C2CN(C(=O)C3=CC=CS3)C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947CF0>,2.2292000000000005,0.9347513923111499,2.622102934816244,2.051654026739506
[O][=C][Branch2][Ring1][Branch2][N][C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2],O=C(NC(CC(F)(F)F)C1=CC=C(F)C=C1)N2CCCC(CO)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F947D60>,3.233100000000002,0.8210992831884826,3.056818876958502,1.0486775389839105
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring1][P],CC(=O)C1=CC=C(OC2=CN=C3C=CC=CC3=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947DD0>,3.6247000000000016,0.6777795611573195,1.8566380765585464,1.532259729228051
[C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1],CC=1N=C(C2=CC=CC=N2)SC=1C(=O)N3CCCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F947E40>,2.7495200000000013,0.8448993035287614,2.069867684783258,2.154628832860549
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N],CC1=CC=CN=C1NC(=O)C2=CC=C(F)C=C2N,<rdkit.Chem.rdchem.Mol object at 0x000002763F947EB0>,2.36362,0.797935085988099,1.935743118299607,2.0539323116408883
[C][C][C][=C][Branch1][C][C][N][C][Branch1][S][C][N][Branch1][C][C][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Branch1][C][N][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1],CC=1C=C(C)N2C(CN(C)CC3=CSC(C)=N3)=C(N)N=C2N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F947F20>,2.32526,0.7995344863147015,2.9953841390278644,1.002288292545643
[C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][=C][Ring2][Ring1][Ring1][C],CCN1N=C(C)C(CCNC(=O)C=2C=CN(C)C(=O)C=2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F947F90>,1.1910400000000003,0.9018160242260207,2.3518572033406038,2.1572229177894995
[C][C][C][=C][C][=Branch1][C][=O][N][Branch1][S][C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Ring2][Ring1][C],CC=1C=CC(=O)N(CCSC2=CC=C(F)C=C2N)C=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951040>,2.6703200000000002,0.6906846221460733,2.3524791322037615,1.100943978526605
[C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][N][=C][Ring1][=Branch1][N][Branch1][C][C][C][C][=C][Ring2][Ring1][C],CC1=CC=C(C(=O)NC2=CN=CN=C2N(C)CC)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9510B0>,2.1475999999999997,0.8986434001208581,3.129851846282137,1.3633651543221532
[C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][=N][O][Ring2][Ring1][Ring2],CC1=CC(C(=O)N2CCN(CC(O)C(F)(F)F)CC2)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951120>,0.66402,0.8883915358810677,2.865393654914282,1.5765640244910566
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1],CS(=O)(=O)NCCCNC(=O)C=1C=CN(C)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951190>,-0.9107999999999992,0.6475094293459935,2.2766070500679803,0.9609400966619877
[C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1],CCN1N=C(C)C=C1C(=O)N2CCCC2C3=NOC(C)=N3,<rdkit.Chem.rdchem.Mol object at 0x000002763F951200>,1.88014,0.8618414974559502,3.0893795466318403,1.2198279406479102
[C][C][O][C][=C][C][=Ring1][Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2],CC=1OC=CC=1CN(C)S(=O)(=O)C2=CC=C(F)C(F)=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F951270>,2.6869200000000006,0.8721471408184037,2.2546722056478483,2.10606349844417
[C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][=C][Ring1][#C],CCOC1=CC=C(C(=O)CCC(=O)OC)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9512E0>,2.874600000000001,0.5891056428185184,1.8647397588019619,1.0807884552906302
[F][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1],FC1=CN(C2=CC=CC=C2)C=C1C3=NN=C4C=CC=CN34,<rdkit.Chem.rdchem.Mol object at 0x000002763F951350>,3.326100000000002,0.5635160456038022,2.4531480869334104,0.36443214108560085
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Cl],CC1=NC(C)=C(CC(=O)N(C(C)C)C2CCC2)C(C)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9513C0>,3.9922600000000035,0.8422730181439781,2.615708795257346,1.595656295462545
[O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2],O=C(CC1=C[NH1]C2=CC=CC=C12)NCC3=CC(F)=CC(F)=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F951430>,3.3050000000000015,0.7626554932456898,1.9642068736702747,1.8490705925581743
[C][C][C][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl],CCCNC(=O)CNS(=O)(=O)C1=CC=C(N)C=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F9514A0>,0.7267000000000006,0.6742131634881502,2.1115602557417112,1.2595055616990396
[C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][N],CCOC(=O)CSC1=NN=C(C2=CC=C(F)C=C2)N1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F951510>,1.4531999999999998,0.5106729890914202,2.060232553633197,0.4931323918239041
[C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1],CCOC1=CC=C(Br)C=C1NC(=O)C2CCOC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F951580>,2.822800000000001,0.9294850354555723,2.4597157819791473,2.1877093952987137
[C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][C][C][C][Ring2][Ring1][#Branch1],CC1(NC(=O)CSC2=NN=C(C3=CC=CC=C3)N2CC)CCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9515F0>,3.506000000000002,0.8148542701366059,2.2726903290736296,1.8015810216094001
[C][C][O][C][=C][C][=C][C][Branch1][P][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][=C][Ring2][Ring1][C],CCOC1=CC=CC(C2=NC3=CC=CC=C3N2CCO)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951660>,3.0943000000000014,0.7819384832954981,1.902950808326242,2.0067416081512484
[C][N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][S][C][=C][C][Ring1][P][=Ring1][Branch1],CNC1=NC(NCC2=CC=CC=C2)=NC=3SC=CC1=3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9516D0>,3.345100000000002,0.7630875296154714,2.168542075392649,1.6468955726847083
[C][C][C][Branch1][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1],CCC(CC)N(C)C(=O)N1C=C(Br)C=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951740>,2.7341000000000006,0.849569840044462,3.1174435034193007,1.1304056968030096
[C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O],CN(CCCNC(=O)C=1C=NN2C=1CCCC2)S(C)(=O)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F9517B0>,0.23070000000000035,0.7619235056353532,2.638810994437474,1.1708065337392917
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],CC(=O)C1=CC=C(S(=O)(=O)OC2=CC=C(CC(C)C)C=C2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951820>,3.855400000000003,0.5952269774196842,1.8753815312155915,1.1007533558828295
[N][#C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C][C][C][C][C][C][Ring2][Ring1][#Branch1],N#CC1(C(=O)N2CCC(C3=NC4=CC=CC=C4[NH1]3)CC2)CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951890>,3.742980000000003,0.9076447894872035,2.5464674637846514,1.9917564836513666
[O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][C][=N][O][Ring1][Branch1],O=C(NCC1=CC=NC=C1)NCC2=CC=NO2,<rdkit.Chem.rdchem.Mol object at 0x000002763F951900>,1.069,0.8258396045287019,2.3164745818405557,1.8127234408029533
[O][=C][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1],O=C(CCC1=CC=CC=C1Cl)NC=2C=CN(C)N=2,<rdkit.Chem.rdchem.Mol object at 0x000002763F951970>,2.6448,0.9218312602227674,1.963525833231735,2.6456304678821017
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N],CC1=CC=CC=C1COC2=CC=C3[NH1]C(=O)C(=O)[NH1]C3=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F9519E0>,2.10382,0.7223547797535304,2.0156882358167856,1.5960856629508662
[C][C][O][C][=C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][Ring1][P][=O],CCOC1=CC(C2=CC=CC=C2C)=CC(=O)N1CCC=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F951A50>,2.811420000000001,0.7667695698056401,2.568861091097098,1.2649867579311027
[C][O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N],COCCC(=O)N1CCN(C2=CC=CN=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951AC0>,0.7666999999999997,0.7903408888828818,1.9567935325007912,1.9949109119136175
[C][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1],CC(=O)N(CCC1=CC=CC=C1)CC(=O)NC(C)C2=CC=NC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F951B30>,2.3500000000000005,0.8498116454839593,2.47796913282793,1.7710890945918667
[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],CC1=CC=C(C#N)C=C1NCC(=O)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F951BA0>,1.5571999999999997,0.8230297900220006,2.024420427994402,2.090728522115601
[C][C][=C][C][C][=C][Branch1][N][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][Branch2][S][C][=Ring1][#C][C][=Branch1][C][=O][NH1][Ring2][Ring1][Ring1],C1C=CCC=C1CC=CC2=NC=CN2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F951C10>,3.099800000000001,0.6854461100356403,3.551834167754966,-0.12460361757676441
[C][C][Branch1][C][C][C][O][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][C][Ring1][=Branch2][=O],CC(C)COCCNC(=O)C1=CN=C(C2CC2)[NH1]C1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F951C80>,1.0497000000000003,0.7306652230036164,2.4239854457410885,1.2293406692769935
[C][C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1],CCC1=CC(=O)[NH1]C(SCC(=O)NC2=CC=C(C)C=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951CF0>,2.3715200000000003,0.656667038657912,2.196331495269197,1.087003698020363
[C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C],CC1=CC=CC(NC(=O)C(C)OC(=O)C2=CC=CC=N2)=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F951D60>,2.882440000000001,0.8812524933891572,2.298566907299053,2.107695559646733
[C][C][=C][C][=Branch1][C][=O][NH1][C][Branch1][P][S][C][N][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1],C=1C=CC(=O)[NH1]C=1SC=2N=CN(C)C(=O)C=2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F951DD0>,0.9282199999999998,0.8038646913292249,3.1689346669469387,0.8503887896991857
[C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][#C],CCCNS(=O)(=O)C1=CC=C(NC(=O)C=2C=C(C)ON=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F951E40>,1.9236199999999999,0.8454954766823741,2.0010305450808303,2.2264468383310403
[O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],O=C(CC1=CC=CC=C1O)NCCNC(=O)C2=CC=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F951EB0>,1.1864999999999997,0.6018760714718643,1.8958174061099289,1.1135629512493925
[C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][=C][Ring1][P][N][C][=N][N][=C][Ring1][Branch1],CCOC1=CC=C(NC(=O)CC2=CC=C(C)N=C2)C=C1N3C=NN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F951F20>,2.5506200000000003,0.747363257772835,2.3739762361766417,1.3628400526875333
[C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][Cl][=C][Ring1][=C][O][C],COC1=CC(C(=O)NC(C)(C)C)=CC(Cl)=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F951F90>,2.8855000000000013,0.9195362643554011,1.9209928400672016,2.676688481709804
[C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],CCC1=NOC(C)=C1C(=O)N(C)CCOC2=CC=C(C(C)C)C=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F966040>,3.8198200000000027,0.7742341816288253,2.2648062305634458,1.6063646775806806
[C][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][S],CC(C)COC1=CC=C(C(=O)CSC2=NN=CN2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9660B0>,2.8249000000000013,0.5813552886380416,2.1128086791023115,0.7939677640878968
[C][C][NH1][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][=C][Branch1][C][C][C][=Ring1][P][N],CC=1[NH1]C(=O)C(C(=O)N2C(C)CCCC2)=C(C)C=1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F966120>,1.5885399999999996,0.8071578987395845,3.0473357248511164,0.9884537688468065
[C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][P],COC1=CC=CC(NC(=O)N2CCOC(C)(C)C2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966190>,2.3379000000000003,0.891632572825983,2.0908495240760416,2.3673133400538733
[O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][NH1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][=N][Ring1][N],O=C1CCCN1C=CC2=C[NH1]C(C3=CC=CC=C3Br)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F966200>,3.4323000000000015,0.9360916295605256,3.162263540749528,1.5181946070530996
[O][=C][Branch1][P][C][=C][C][=C][NH1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2],O=C(C1=CC=C2[NH1]C(=O)OC2=C1)N3CCCC(C(F)(F)F)C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F966270>,2.5356000000000005,0.8793995783712288,2.897319996832472,1.4996778950236722
[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][Branch2][C][Ring1][Branch1][O][C][C][O][Ring1][Branch1],O=C(NC1=CC=C(Cl)C=N1)NCCC2CCCC23OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F9662E0>,2.7898000000000014,0.8925194043974932,3.671542479794706,0.79105454219276
[C][C][NH1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][N][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F],CC=1[NH1]C(C2=CC=CC(Cl)=C2)=NC=1C3=NC=CN3C(F)F,<rdkit.Chem.rdchem.Mol object at 0x000002763F966350>,4.297120000000002,0.783956612178975,2.6864102436394717,1.2333728172554035
[C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][=Branch2][O][Ring2][Ring1][C],CCC1=CC=C(CNC(=O)C2=CC=NC(C(C)C)=N2)O1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9663C0>,2.6854000000000005,0.9090408869349752,2.423471564622206,2.1217328700526696
[C][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1],CN1C(CCC(N)=O)=NN=C1SCC(=O)NC2CC2,<rdkit.Chem.rdchem.Mol object at 0x000002763F966430>,-0.3962999999999992,0.6630029363257376,2.255254564826293,1.0597601168023947
[C][C][N][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=C][Ring1][P][C][Branch1][C][C][C],C1CN1CC=CC=C(NC(=O)C2=NC=CN=C2N)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9664A0>,0.7302999999999997,0.5884077773899897,3.3074421690178104,-0.36540328206786166
[C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P],CC(C)C1=NOC(CCC(=O)N(C)C2=CC=CC=C2)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966510>,2.7886000000000015,0.840126839151676,2.1932001360507787,2.0074340597076015
[C][N][C][C][C][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][#N][C][=N][C][=Ring1][P][Ring2][Ring1][Ring2],C1NCC=2CN=C(C(=O)NC=3SC=CC=3C#N)C=NC=21,<rdkit.Chem.rdchem.Mol object at 0x000002763F966580>,0.9409799999999999,0.8470851956776115,3.7547237529511186,0.4807022254369393
[C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][C][O][C][Ring1][=Branch1][C][C][Branch1][C][O][=N][Ring1][S][C][=C][Ring2][Ring1][Branch2],C1=CC=C(OCC2NCCN(CC3=CCCOC3)CC(O)=N2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9665F0>,1.5998999999999997,0.8024831786156666,3.750899255191067,0.261516637887266
[C][N][Branch1][#C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][F][C][=Branch1][C][=O][N][C][C][=C][S][C][=N][Ring1][Branch1],CN(CC1=CC=C(C#N)C=C1F)C(=O)NCC2=CSC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F966660>,2.4954800000000006,0.9432221301289531,2.509444663456943,2.2066659871878223
[C][O][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2],COCCNC(=O)COC1=CC=C(Cl)C(C)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9666D0>,1.7898199999999995,0.790738107959529,1.75137722013843,2.2023133196592153
[C][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1],CCNC1=CC=C(Br)C=C1NC(=O)C2=CSC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F966740>,3.5897000000000023,0.9027061698849497,2.3350914440914607,2.178439405333288
[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C],COC1=CC(C)=CC=C1OCC(=O)N(C)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F9667B0>,2.24922,0.8053487672547911,1.859048118299608,2.1676957179743477
[C][C][=N][C][Branch2][Ring1][Ring2][C][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring2][Ring1][C],CC1=NC(C2CCCN2CC3=CC=CC(F)=C3)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966820>,2.8542200000000015,0.8516600350849616,2.781465580877443,1.4768345945473653
[C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][=Branch1][C][=O][C][=N][NH1][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2],COCCCNC(=O)C(C)S(=O)C1=N[NH1]C(C(C)C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966890>,0.5768999999999997,0.6845594537473837,3.8180734301314825,-0.3952761613945639
[C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],COC(=O)NCC(=O)NC1=CN=C2C=CC=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966900>,1.5292999999999994,0.8755316620266754,1.8841156101911842,2.493542699942193
[C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1],C1C=NC=C1CNC(=O)N(CCC(N)=O)C2=CC=CC=C2S,<rdkit.Chem.rdchem.Mol object at 0x000002763F966970>,1.7250999999999996,0.6974734479394537,3.2724159130180226,0.21495132667924555
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=C][C][Branch1][#C][C][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=N][C][=N][Ring1][#C][N][=Ring2][Ring1][Branch1],C=1CC=C(C)N(C=CC(CC2=N[NH1]C(=O)[NH1]C2=O)C=N)N=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F9669E0>,0.37547000000000014,0.6783670697444549,4.83421553098647,-1.4423801822641957
[C][#C][C][N][Branch1][Ring2][C][C][#C][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][Ring1][N][=O],C#CCN(CC#C)C1C=C(C2=CC=C(F)C=C2)OC1=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F966A50>,1.6604,0.6147874873737049,3.771663646530577,-0.6977262096620525
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][=C][Ring1][P],CNC(=O)C1=CC=C(NC(=O)N(CC(C)C)C2CC2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966AC0>,2.698500000000001,0.8751813334068153,1.9967488835900635,2.379157783444013
[O][=C][Branch1][=C][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring1][#Branch2],O=C(CC1=CN2C=CSC2=N1)NC3=NC(C4=CC=CO4)=CS3,<rdkit.Chem.rdchem.Mol object at 0x000002763F966B30>,3.2935000000000016,0.6230214560231129,2.5797240672459285,0.5353832128696361
[C][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring1][P][=C][Ring2][Ring1][#Branch1],CC=C1C=CC(OC2CCN(C(=O)NCCCN3C=CN=C3)CC2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966BA0>,2.8638000000000012,0.8088765782927924,3.0293188863347025,1.0150640051292594
[C][C][Branch1][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N],CC(C)OCCC(=O)N1CCC(C2=CC=C(O)C=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966C10>,2.9133000000000013,0.9071830625176551,2.1079625252561573,2.427952787332118
[C][N][N][=C][C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=C][C][N][C][C][O][C][C][Ring1][=Branch1],CN1N=CC(NCC2=CC=CC=C2Cl)=C1CN3CCOCC3,<rdkit.Chem.rdchem.Mol object at 0x000002763F966C80>,2.5178000000000003,0.918987577160156,2.3456187898790652,2.249319095921715
[C][C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O],CCNC1=C(F)C=CC=C1C(=O)NC2=CC=CC=C2O,<rdkit.Chem.rdchem.Mol object at 0x000002763F966CF0>,3.215400000000001,0.7501343128855152,1.8917273338529768,1.8589442305745996
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],COC(=O)CCC(=O)C1=CC=C(OC)C(Cl)=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F966D60>,3.137900000000002,0.6174745805984274,2.0985952336842217,0.9887776693079156
[C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring2],CC1=CC(NC(=O)C2=CC=CC=C2N3CCOCC3)=NO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966DD0>,2.07192,0.9357037162139915,2.0195603921850065,2.6589581888849514
[C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2],CC(OCC1=CC=CC=C1)C(=O)N2CCOC(C)(C)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F966E40>,2.2291,0.8468786149044434,2.6530155696075006,1.581377504914716
[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1],CC1=NN(C)C=C1CNC(=O)C2=CC(Cl)=C3C(=C2)OCCO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F966EB0>,2.08312,0.9397470504132315,2.3701647963927126,2.328570455673445
[C][C][=C][C][=C][Branch1][P][N][N][=C][Branch1][C][N][C][Branch1][C][C][=C][Ring1][#Branch1][Br][C][Branch1][C][C][C][O][Ring1][S],CC1=CC=C(N2N=C(N)C(C)=C2Br)CCCO1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966F20>,3.0913200000000014,0.866497995172276,3.7248282839682165,0.6076616918931634
[C][C][C][C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1],CCCC(NC(=O)OC)C1=CSC(C)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F966F90>,2.648720000000001,0.8615267449893446,2.9064001672092026,1.4012335577375206
[C][C][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][#N],CCCSC1=NC(C)=CC(C(F)(F)F)=C1C#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8040>,3.782600000000002,0.7758565366388454,2.5077373510713254,1.3715453321229014
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][C][N][C][Ring1][Branch1][=O][C][C][Ring1][N],CCCCS(=O)(=O)N1CCN(C2CCNC2=O)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E80B0>,-0.3775999999999984,0.7490743449397976,2.9593296632102035,0.7860420614887849
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2],CCN1N=CC=C1C(=O)NC2=NC=3SC=CC=3C(=O)[NH1]2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8120>,1.4533,0.7629728292698659,2.694319034257834,1.120545112091495
[O][C][Branch1][#C][C][=C][C][C][Branch1][C][O][=C][S][Ring1][=Branch1][C][C][C][C][C][C][Ring1][P],O1C(C=C2CC(O)=CS2CCC)CCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8190>,3.263600000000002,0.7260336662455749,5.377121045732394,-1.7469527145045194
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=N][Cl],NS(=O)(=O)C1=CC(CN2CCOCC2)=CC=C1Cl,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8200>,0.8196000000000008,0.894423974120001,1.9821997336842223,2.4899201369157824
[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][#C],CC(C)C(=O)N1CCC(C(=O)NC2=CC=NC=C2)CC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8270>,1.9147,0.9163026579943119,1.93784491627056,2.643668373700999
[C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][Ring1][=N],CCOC(=O)NC1CN(C2=NC=CC=C2N)C(C)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E82E0>,1.3770999999999998,0.8616683425555807,3.208435992875109,1.099905719902794
[C][O][C][=C][N][=C][Branch1][Ring1][S][C][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][Ring2][=O],COC=CN=C(SC)N(CC(=O)NCCC1=CC=CO1)C=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8350>,1.2332999999999998,0.33630479538046815,3.5542968063182707,-1.87277282941593
[C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C],CC1=NN=C2N1CCN(C(=O)CCC(=O)C3=CC=CC=C3)C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E83C0>,1.59182,0.8039168887339331,2.2267233571867564,1.792861086482909
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][C][=C][Ring1][#C],COC(=O)C1=CC=C(NC(=O)C=2OC=CC=2C)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8430>,2.626920000000001,0.8601593393376187,1.8452657795187104,2.4555309171693827
[C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C],CCN(CCO)C(=O)C1=CC=C(Cl)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E84A0>,1.803,0.8752053366851257,1.9361993577602874,2.439827325665341
[C][O][C][C][N][Branch1][#Branch2][C][C][=C][C][C][O][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],COCCN(CC1=CCCOC1)OC2=CC=CC=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8510>,2.2755,0.5576156483163062,3.0208198226453957,-0.2327415810638649
[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][C][C][=C][Ring1][N],COC1=CC=CC(=C1)S(=O)(=O)N(CCCC)C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8580>,2.629500000000001,0.7641568981098807,2.4636085186135794,1.357175971935824
[C][C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N],CCCCNC(=O)CCN1C(=O)[NH1]C(=O)C2=CC=CC=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E85F0>,0.9962000000000003,0.7779849990766059,1.9851706086981409,1.9047543866848886
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],COC1=CC=CC=C1C(=O)N(C)C(C)CC2=CC=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8660>,2.793400000000001,0.8475899535075924,2.4453221802693914,1.7926275872685702
[C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][O],COC1=CC=C(C(=O)NCC2(O)CCCC2)C=C1O,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E86D0>,1.4356999999999995,0.7693172495876612,2.124487840476622,1.7220984074616843
[C][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1],CC1=CC(NS(=O)(=O)CC2=CC=CC=C2)=NN1C3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8740>,3.1226200000000013,0.7828873518468773,2.05245236038642,1.8619843988479667
[C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][O][C][C][C],C=CCC1=CC=CC2=C1OC(C(C)C)CC(=O)N2CCC,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E87B0>,3.965200000000003,0.7670086523259211,3.213892845197681,0.6211504164319241
[C][C][O][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C],CCOCCC(=O)NCC(=O)NC1=CC=C(C)C=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8820>,1.7847399999999993,0.747137794647388,1.8159001310557734,1.919788842181167
[O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=O],O=C(NCCC1=CC=C(F)C=C1)N2CC(CC3=CC=CC=C3)CC2=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8890>,3.1690000000000023,0.908803962488219,2.628663922480616,1.9153558899604795
[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][=Branch1][C][=O][O][C][Ring1][N][C][=Branch1][C][=O][O][Ring1][P],C1OC(=O)C1(CC(C2=CC=CS2)CC(=O)OC)C(=O)O,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8900>,1.4127,0.6306446932380266,3.8048036865417387,-0.6515802203516055
[C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][C][C][#N],CC1=CN=CC(=C1)N=C(C2=CC=CC=C2Cl)NCCC#N,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8970>,3.6250000000000018,0.5325258290597201,2.74689208197063,-0.08426293667202955
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C],COC(=O)C1=CC=C(F)C=C1NC(=O)CC(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E89E0>,2.5969000000000007,0.83899566495136,1.798451002914991,2.396527321841809
[O][=C][Branch1][N][N][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2],O=C(NCCC(F)(F)F)NC1=CC=C(C(F)(F)F)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8A50>,3.779300000000002,0.8195239911320668,2.0218922830547186,2.0757276726056153
[C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring2][Ring1][Ring2][C],CC1=C(NC(=O)CC2=CC=C(Cl)C=C2)C(C(C)(C)C)=NN1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8AC0>,3.8606200000000026,0.9334040532401368,2.199741088607878,2.467279177592806
[C][O][C][C][C][N][C][=Branch1][C][=O][N][C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C],COCCCNC(=O)NCCNC1=NC=CC=C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8B30>,1.1376200000000003,0.6167409213237367,2.098428430704004,0.9852761759146791
[C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1],CC(=O)NC(CC(C)C)CNC(=O)NC1CCCCC1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8BA0>,2.1691000000000003,0.6989284174958041,2.634282083094014,0.8603600043850066
[C][C][C][=N][N][Branch1][P][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=C][C],CCC1=NN(CCNC(=O)CC(C)(C)C)C1C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8C10>,2.0088999999999997,0.7973410617386104,3.522569652759916,0.464135655933136
[C][C][C][=C][C][=C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][#N][=C][Ring1][=C],CCC=C1C=CC(OCC(=O)NC(C)C#N)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8C80>,1.82138,0.7860670831646962,3.7411198982590967,0.18921551756438415
[C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],CCNC(=O)CN(C)S(=O)(=O)C1=CC=C2C=CC=CC2=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8CF0>,1.5964,0.9121233935752074,1.8960483949679787,2.664568572908059
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][N][Ring1][#Branch2][C],CC1=CC=CC=C1C2=NC3=CC(C)=CN=C3N2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8D60>,3.2521400000000016,0.6501083007495543,2.1201475526887474,1.1303939510590242
[O][=C][Branch2][Ring1][C][C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2],O=C(CN(C1CC1)C2CCCC2N)C3=NN=C(C4CC4)S3,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8DD0>,1.9424,0.813253330295724,3.8242720070192373,0.2419946444593828
[N][C][=C][C][Branch1][C][Cl][=C][Branch1][N][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][=C][Ring1][S][O][C],NC1=CC(Cl)=C(N2CCCCC2CCO)C=C1OC,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8E40>,2.6721000000000013,0.8348032883420069,2.799414423732699,1.3746020179773355
[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][C][C][N][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F],O=S(=O)(CCNC1=CC(=O)OC2=CC=CC=C12)CC=CC=CF,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8EB0>,2.6591000000000014,0.6207929533278822,3.072895985991586,0.031068780647824923
[C][C][C][=N][O][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1],CCC1=NOC(CC)=C1CNC(=O)C2=CC=CC(C)=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8F20>,2.4328200000000004,0.9081100758222531,2.553177883303526,1.9873724958077394
[Br][C][=C][C][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=C][Ring1][=N],BrC1=CC=C(C2=CC=CC(Br)=C2)N=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E8F90>,4.273600000000002,0.7658877656353236,1.8202398164613687,2.009199011715249
[C][C][=C][S][C][Branch1][P][C][C][N][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring1][P],CC1=CSC(CCNC2=NC=NC=3SC=CC2=3)=N1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1040>,3.1108200000000013,0.7952106659751497,2.502074061695833,1.4739792681799155
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1],CC1=CC=CC=C1C(C)NC(=O)C2=CN=CC=N2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E10B0>,2.27602,0.8964735908956295,2.355736596458785,2.1266313580193623
[C][S][C][=C][C][=C][Branch1][P][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][S],CSC1=CC=C(C(C)OC(=O)C=2C=N[NH1]N=2)C=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1120>,2.4446000000000003,0.6775288900887729,3.019885012748377,0.3677594376954878
[O][=C][Branch2][Ring1][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1],O=C(CC1=C[NH1]C2=CC=C(Cl)C=C12)NCC3=CC=CN=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1190>,3.0752000000000006,0.7776264660608997,1.995602006308589,1.8925303239959095
[Br][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][C][Ring1][N][=C][Ring1][=N],BrC=CC=CN=C(C1CC1)[NH1]C=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1200>,2.9503000000000013,0.4564363499460492,4.5254012884703645,-2.2432195387401186
[O][=C][Branch1][S][C][N][N][=C][Branch1][Ring1][C][O][C][=C][C][=C][Ring1][Branch2][C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1],O=CCNN=C(CO)C=CC=CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1270>,0.25550000000000006,0.20346735562051338,4.148232057701135,-3.130895279598568
[C][C][=C][C][=C][C][NH1][C][Branch1][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][=C][N][Ring2][Ring1][Branch1][Ring1][P],CC1=CC=CC2[NH1]C(C3=NN=CN3CCC4=CC=CO4)=CN12,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E12E0>,2.1170999999999998,0.9359626719399031,4.053113528697832,0.6266998310016838
[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=N][Ring1][O][=C][Ring2][Ring1][Branch1],COC1=CC=CC(NC(=O)CC2=CSC(N3CCCC3=O)=N2)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1350>,2.4597000000000007,0.9134096785819394,2.133926486260547,2.4331219066491503
[C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C],CCOC(=O)CSC1=NC2=CC=CC=C2N1CC,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E13C0>,2.711400000000001,0.6149926612889985,1.887076059476076,1.1878872469689168
[O][=C][N][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][NH1][C][=Branch1][C][=O][C][Ring1][#C][=C][Ring2][Ring1][C],O=C1NC2=C(C=CC3=CC=CC=C32)C(=O)C1=C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1430>,2.530800000000001,0.5506895682725058,2.5089636972251714,0.24448414413735753
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N],CS(=O)(=O)OC1=CC=C(Br)C=C1N,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E14A0>,1.3697000000000001,0.6479720314824033,2.261136130099324,0.9787240273126931
[C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1],CCOC1=CC(CO)=CC=C1OC2=CC=C(C)N=C2,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1510>,3.0733200000000016,0.8961486853697119,1.9589976614732354,2.521745765375324
[C][C][=Branch1][C][=O][N][C][C][C][S][C][=N][C][Branch1][C][N][=C][C][=Branch1][C][=O][NH1][Ring1][Branch2],CC(=O)NCCCSC1=NC(N)=CC(=O)[NH1]1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1580>,-0.02960000000000018,0.3822327649260227,2.6502680557679117,-0.7391042311377982
[C][C][C][=C][Branch1][C][C][S][C][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=C][N][=C][Ring1][P][Ring2][Ring1][Ring2],CC1C=C(C2)SCN=C(C3=CC=CC=C3OC)N=CN=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E15F0>,3.539100000000002,0.8382346614855993,5.256093315464064,-1.0649200080360668
[C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C][Branch1][C][N][=O],CC1=CC=CC(NC(=O)C2=CN=C(C3CCCO3)S2)=C1C(N)=O,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1660>,2.6542199999999996,0.9002549623830072,2.993910062828105,1.507364749086931
[C][C][N][=C][S][C][=Ring1][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C],CC=1N=CSC=1CCOC(=O)C2=CSN=C2C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E16D0>,2.615940000000001,0.7998241478171995,2.909486774148249,1.0896339649377484
[O][=C][Branch2][Ring1][#Branch2][N][C][C][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][C][=C][Ring1][N][Ring1][S][C][C][C][O][C][C][Ring1][=Branch1],O=C(NC1CCCC2=NC(C3=CC=CC=N3)=NC=C21)C4CCOCC4,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1740>,2.4588,0.9300987583021219,2.9679886106303055,1.6825051808803035
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][Ring1][N],CCS(=O)(=O)N1CCOC(CN2C=NC=N2)C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E17B0>,-0.6713999999999991,0.7171808471095122,3.116995614298376,0.4689086212491853
[C][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Branch1][C][C][C],CC(=O)C(NC(=O)C1=CC=CC=C1Br)C(C)C,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1820>,2.7925000000000013,0.9287777206709584,2.3059942681445307,2.3378943352102617
[C][C][C][C][=N][N][Branch1][C][C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][Branch1][C][C][C][O][Ring1][Branch2],CCCC1=NN(C)C(N)=C1C2=CC=C3C(=C2)NC(C)CO3,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1890>,2.8146000000000013,0.9103231359827025,3.21213626110381,1.3394794188097032
[C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],CC(O)CNC(=O)C1=CC=C(Cl)C(Cl)=C1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1900>,2.104,0.8600674156200476,2.180882728184814,2.119454349915424
[C][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][S][Ring1][Branch2][C][C][Ring1][#C][O][N][=Ring2][Ring1][=Branch1],CC=1C=C(C(=O)N2CCN(CC3=NC(C4CC4)=CS3)CC2)ON=1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1970>,2.2749200000000007,0.8593749384089613,2.5352614512955114,1.7616132407492948
[C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],CC=1N=C(C2=CC=CC=N2)SC=1C(=O)NC3=CC=CC=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E19E0>,3.7658200000000024,0.7999984929197766,1.8654549697386003,2.134537494860283
[C][C][C][N][C][C][C][=C][C][Branch1][C][Br][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][Ring1][=N],CCC1NCCC2=CC(Br)=C(OC)C=C21,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1A50>,3.0545000000000018,0.8913820935234932,2.9710548710419573,1.485855596575509
[O][=C][Branch1][#C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],O=C(CSC1=NN=NN1C2CC2)NC3=CC=C(Cl)C=C3,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1AC0>,2.3922,0.8585678687619203,1.9970291557153246,2.2958101880942765
[O][=C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch2][C][C][N][Ring2][Ring1][C],O=C1CN(C(=O)C2=CC=C(C#N)C(CO)=C2)CCN1,<rdkit.Chem.rdchem.Mol object at 0x000002763F7E1B30>,-0.3774199999999998,0.7569167973601005,2.387815561811891,1.3967684249886116