Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 CCCCCC1CC(O)CC(=O)O1 0.795 0.312 0.01 0.619 0.134 0.052 0.841 0.611 0.139 0.845 0.027 Compound_2 CCCCCC/C=C\CC(CC(=O)O)O 0.897 0.085 0.029 0.139 0.396 0.014 0.74 0.731 0.19 0.977 0.301 Compound_3 CCCCCCCC1OCC2=C1C(=O)OC2 0.957 0.613 0.207 0.681 0.227 0.302 0.964 0.964 0.586 0.999 0.5 Compound_4 O=C1C=CC(O1)CCCCCC(C(O)C)C 0.993 0.424 0.023 0.578 0.682 0.345 0.978 0.98 0.777 0.864 0.166 Compound_5 OCC1C(=CCC2C1(CO)CCCC2(C)CO)C 0.967 0.576 0.072 0.57 0.563 0.207 0.269 0.646 0.4 0.885 0.579 Compound_6 OC(=O)CC1OC(O)C2C3C1C(=C)C2(C)CCC3C(C)C 0.818 0.81 0.024 0.217 0.644 0.459 0.023 0.953 0.047 0.994 0.307 Compound_7 CCCCCCCCCCCCC(/C=C/CCC(=O)O)O 0.918 0.052 0.277 0.148 0.646 0.116 0.975 0.539 0.366 0.943 0.105 Compound_8 COC(=O)C(=C)C1C(O)CC2(C(C1O)C(=O)CCC2O)C 0.885 0.861 0.031 0.637 0.849 0.606 0.484 0.968 0.323 0.656 0.68 Compound_9 O=C(Nc1cc(nn1C)C1CC1)CN1C(=O)c2c(C1=O)cccc2 0.405 0.537 0.061 0.331 0.421 0.673 0.151 0.091 0.525 0.006 0.301 Compound_10 CCCCC/C=C\C(C(C(CCCCCCCC(=O)O)O)O)O 0.936 0.187 0.058 0.112 0.542 0.135 0.576 0.502 0.045 0.973 0.073 Compound_11 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC 0.943 0.009 0.721 0.709 0.438 0.112 0.999 0.972 0.058 1.0 0.942 Compound_12 O=C1N(Cc2ccccc2)Cc2c1nc1cc([nH]n1c2=O)C(C)(C)C 0.419 0.586 0.222 0.447 0.143 0.693 0.375 0.826 0.483 0.165 0.202 Compound_13 CC(=CCc1c(CCc2ccccc2)cc(c(c1O)CC=C(C)C)O)C 0.78 0.598 0.941 0.625 0.901 0.981 0.499 0.997 0.649 0.982 0.874 Compound_14 O=C(C(C(=O)Nc1ccccc1C)c1ccccc1)Nc1ccccc1C 0.373 0.765 0.803 0.474 0.71 0.886 0.954 0.368 0.411 0.553 0.772 Compound_15 CN1CCN(CC1)C(=O)COc1cc(nc2c1cccc2)c1ccccc1 0.27 0.792 0.626 0.613 0.559 0.81 0.108 0.129 0.432 0.152 0.246 Compound_16 CCCCCCC(CC(=O)OC(CC(=O)OC)CCCCCC)O 0.837 0.053 0.016 0.58 0.145 0.108 0.848 0.721 0.31 0.489 0.535 Compound_17 CC(CC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C)C 0.677 0.794 0.155 0.395 0.945 0.902 0.749 0.465 0.194 0.155 0.442 Compound_18 CCC(CC1CCC(O1)C(C(=O)OC(CC1CCC(O1)C(C(=O)O)C)C)C)O 0.794 0.392 0.001 0.23 0.24 0.085 0.922 0.282 0.088 0.832 0.884 Compound_19 COc1ccc(cc1)CN1CCC2C1C(=O)NCC(N2C)CCC(=O)N1CCOCC1 0.168 0.582 0.014 0.262 0.118 0.4 0.01 0.033 0.314 0.1 0.437 Compound_20 OCC1C(OCC(=O)N1Cc1cccnc1)c1ccc(cc1)NC(=O)c1cc(oc1C)C 0.455 0.673 0.343 0.714 0.061 0.473 0.269 0.027 0.367 0.043 0.647 Compound_21 OC[C@H]1O[C@@H](OC/C(=C/CC[C@](C=C)(O)C)/C)[C@@H]([C@H]([C@@H]1O)O)O 0.608 0.568 0.019 0.521 0.407 0.387 0.589 0.68 0.526 0.814 0.1 Compound_22 CC1OC(C)CN(C1)c1ccc(cc1)NC(=S)Nc1ccc(cc1)N1CC(C)OC(C1)C 0.5 0.582 0.639 0.408 0.299 0.875 0.042 0.725 0.697 0.681 0.398 Compound_23 CC(C(C)C)CC(C(C1CCC2(C1(C)CCC1C2=CC(=O)C2C1(C)CC(O)C(C2)O)O)(O)C)O 0.937 1.0 0.174 0.776 0.952 0.954 0.068 0.889 0.23 0.92 0.065