Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 COC(=O)c1ccc(c(c1)Cl)Oc1ccc(cc1OC)C=C1SC(=O)NC1=O 0.633 0.672 0.952 0.479 0.823 0.666 0.982 0.191 0.407 0.89 0.455 Compound_2 O=C(NS(=O)(=O)C)CN1C(=O)S/C(=C\c2ccc3c(c2)cnn3Cc2ccc(cc2C(F)(F)F)Cl)/C1=O 0.536 0.628 0.626 0.611 0.75 0.577 0.979 0.976 0.403 0.919 0.463 Compound_3 COc1ccc(c(c1)C(F)(F)F)Cn1ncc2c1ccc(c2)/C=C/1\SC(=O)N(C1=O)CCN1CCCC1 0.556 0.67 0.546 0.447 0.83 0.652 0.822 0.812 0.383 0.398 0.314 Compound_4 COCCNC(=O)/C(=C/c1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)/C#N 0.406 0.539 0.122 0.498 0.896 0.645 0.306 0.86 0.408 0.014 0.353 Compound_5 Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O 0.952 0.954 0.988 0.917 0.916 0.984 0.997 0.969 0.907 0.057 0.943 Compound_6 O=C(CCC1=N2=[B](F)(F)n3c(C=C2C=C1)c(cc3C)C)NCCCCCOc1cccc(c1)Cn1nc(c2c1sc(c2)C(=O)N1CCN([C@@H](C1)C)c1ccc(cn1)C(=O)C)C 0.699 0.629 0.988 0.917 0.696 0.652 0.993 0.969 0.407 0.782 0.607 Compound_7 OC(=O)CN1C(=O)S/C(=C\c2ccc3c(c2)c(C)nn3Cc2ccc(cc2C(F)(F)F)Cl)/C1=O 0.532 0.597 0.293 0.473 0.881 0.537 0.994 0.926 0.371 0.792 0.391 Compound_8 N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)/C(=O)NCCCCCC(=O)NC(C(C)(C)C)C(=O)N1C[C@@H](CC1C(=O)NCc1ccc(cc1)c1scnc1C)O 0.693 0.576 0.029 0.505 0.73 0.736 0.992 0.946 0.408 0.583 0.722 Compound_9 Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C 0.97 0.991 0.009 0.489 0.991 0.99 0.02 0.286 0.049 0.998 0.918