Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 CCCCOC(=O)C(CC(=O)OCCCC)(CC(=O)OCCCC)O 0.656 0.034 0.095 0.703 0.201 0.199 0.952 0.58 0.54 0.603 0.671 Compound_2 CCCOP(=O)(OCCC)OCCC 0.842 0.095 0.55 0.551 0.088 0.043 0.995 0.319 0.548 0.985 0.61 Compound_3 O=C(c1ccc(cc1)C(=O)O)OC(C)(C)C 0.407 0.105 0.168 0.361 0.123 0.295 0.615 0.286 0.186 0.056 0.483 Compound_4 O=C(c1ccccc1C(=O)O)OC1CCCCC1 0.799 0.345 0.095 0.412 0.328 0.36 0.922 0.041 0.485 0.827 0.66 Compound_5 O=C(c1ccc(cc1)C(=O)O)OCc1ccccc1 0.404 0.45 0.386 0.481 0.347 0.89 0.974 0.296 0.228 0.056 0.909 Compound_6 CCCCCCCCOC(=O)c1ccccc1C(=O)O 0.87 0.141 0.266 0.415 0.193 0.095 0.976 0.089 0.62 0.808 0.843 Compound_7 COCCOC(=O)c1ccccc1C(=O)OCCOC 0.741 0.109 0.917 0.579 0.083 0.038 0.983 0.006 0.658 0.503 0.363 Compound_8 CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1 0.935 0.43 0.348 0.568 0.21 0.157 0.985 0.231 0.641 0.984 0.831 Compound_9 CCOC(=O)c1ccc(cc1)C(=O)O 0.367 0.106 0.869 0.365 0.103 0.346 0.884 0.089 0.126 0.038 0.445 Compound_10 CCOC(=O)c1ccccc1C(=O)O 0.579 0.088 0.775 0.39 0.105 0.066 0.984 0.023 0.448 0.238 0.486 Compound_11 O=C(c1ccccc1C(=O)OCc1ccccc1)OCc1ccccc1 0.869 0.371 0.899 0.574 0.784 0.769 0.999 0.073 0.677 0.905 0.938 Compound_12 OC(=O)C(C(C(F)(F)F)(F)F)(F)F 0.69 0.014 0.218 0.664 0.37 0.017 0.948 0.924 0.163 0.354 0.918 Compound_13 FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F 0.76 0.114 0.182 0.782 0.321 0.251 0.988 0.839 0.336 0.889 0.205 Compound_14 OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 0.887 0.014 0.248 0.812 0.454 0.036 0.99 0.873 0.088 0.354 0.918 Compound_15 OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F 0.7 0.014 0.248 0.79 0.353 0.018 0.899 0.899 0.132 0.354 0.918 Compound_16 OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 0.887 0.014 0.248 0.812 0.518 0.049 0.998 0.873 0.088 0.354 0.918 Compound_17 FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F 0.702 0.114 0.182 0.741 0.204 0.19 0.941 0.871 0.338 0.889 0.205 Compound_18 FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F 0.703 0.114 0.182 0.782 0.225 0.216 0.96 0.839 0.335 0.889 0.205 Compound_19 FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F 0.746 0.114 0.182 0.782 0.232 0.219 0.975 0.839 0.335 0.889 0.205 Compound_20 COC(=O)c1ccccc1C(=O)c1ccccc1 0.927 0.554 0.662 0.559 0.178 0.223 0.974 0.034 0.696 0.311 0.751 Compound_21 C=CC(=O)Oc1ccc(cc1)C(=O)c1ccccc1 0.856 0.657 0.824 0.712 0.853 0.929 0.995 0.932 0.827 0.847 0.611 Compound_22 O=C(c1ccccc1)c1ccc(cc1)c1ccccc1 0.973 0.687 0.813 0.699 0.564 0.967 0.998 0.679 0.587 0.95 0.936 Compound_23 CN(c1ccc(cc1)C(=O)c1ccccc1)C 0.97 0.683 0.885 0.622 0.236 0.961 0.96 0.33 0.945 0.829 0.872 Compound_24 OCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C 0.282 0.122 0.212 0.531 0.385 0.898 0.312 0.853 0.854 0.82 0.479 Compound_25 O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C 0.687 0.145 0.098 0.563 0.403 0.977 0.255 0.733 0.943 0.887 0.407 Compound_26 NC(=Nc1ccccc1C)Nc1ccccc1C 0.391 0.678 0.793 0.483 0.347 0.793 0.803 0.488 0.61 0.537 0.351 Compound_27 OC(=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C 0.38 0.128 0.072 0.325 0.644 0.959 0.509 0.694 0.838 0.752 0.163 Compound_28 CCOP(=O)(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)OCC 0.714 0.437 0.261 0.607 0.764 0.69 0.238 0.771 0.793 0.986 0.627 Compound_29 CC(CCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C 0.811 0.31 0.583 0.707 0.538 0.967 0.086 0.927 0.476 0.763 0.383 Compound_30 CSc1nc2c(s1)cccc2 0.959 0.646 0.984 0.577 0.533 0.677 0.998 0.871 0.877 0.967 0.587 Compound_31 Oc1ccc(cc1n1nc2c(n1)cccc2)C(C)(C)C 0.392 0.78 0.724 0.653 0.38 0.908 0.871 0.259 0.903 0.897 0.775 Compound_32 O=c1sc2c([nH]1)cccc2 0.638 0.479 0.896 0.481 0.522 0.147 0.856 0.347 0.44 0.8 0.509