Index SMILES AR AR-LBD AhR Aromatase ER ER-LBD PPAR-gamma ARE ATAD5 HSE p53 Compound_1 CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC 0.737 0.003 0.147 0.692 0.066 0.065 0.992 0.357 0.288 0.997 0.915 Compound_2 CCCCCCCCCc1ccc(cc1)O 0.934 0.137 0.355 0.573 0.595 0.836 0.416 0.949 0.963 0.978 0.723 Compound_3 CCCCCCCCCCCCc1ccc(cc1)O 0.934 0.137 0.355 0.573 0.701 0.898 0.827 0.949 0.963 0.978 0.723 Compound_4 CCCCc1ccccc1 0.674 0.139 0.443 0.542 0.055 0.06 0.997 0.675 0.883 0.995 0.294 Compound_5 CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 0.237 0.338 0.004 0.9 0.867 0.977 0.004 0.116 0.322 0.021 0.126 Compound_6 Clc1ccc(cc1)Cl 0.949 0.153 0.821 0.595 0.232 0.303 0.998 0.473 0.928 0.998 0.087 Compound_7 COC(=O)Nc1nc2c([nH]1)cccc2 0.217 0.526 0.907 0.463 0.365 0.765 0.118 0.428 0.554 0.311 0.864 Compound_8 C[Si](O[Si](C)(C)C)(C)C 0.805 0.085 0.057 0.515 0.182 0.464 0.929 0.687 0.903 0.997 0.514 Compound_9 CCCCCCCOC(=O)c1ccc(cc1)O 0.857 0.27 0.893 0.711 0.905 0.935 0.413 0.333 0.958 0.598 0.603 Compound_10 N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl 0.577 0.649 0.895 0.925 0.344 0.898 0.348 0.403 0.527 0.147 0.715 Compound_11 OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl 0.783 0.644 0.851 0.657 0.857 0.897 0.449 0.306 0.234 0.97 0.993 Compound_12 CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC 0.952 0.113 0.275 0.535 0.093 0.105 0.993 0.016 0.593 0.992 0.769 Compound_13 O=C(c1ccccc1O)OCc1ccccc1 0.564 0.68 0.597 0.629 0.646 0.512 0.979 0.193 0.205 0.23 0.657 Compound_14 O=C(c1ccccc1)c1ccccc1 0.957 0.662 0.665 0.53 0.13 0.756 0.948 0.255 0.876 0.993 0.959 Compound_15 CCOC(=O)c1ccc(cc1)O 0.619 0.148 0.987 0.715 0.872 0.915 0.829 0.022 0.741 0.031 0.128 Compound_16 CCCCCOC(=O)c1ccccc1C(=O)OCCCCC 0.921 0.112 0.591 0.596 0.099 0.049 0.988 0.27 0.706 0.951 0.734 Compound_17 Oc1ccc(c(c1)O)C(=O)c1ccc(cc1O)O 0.965 0.776 0.952 0.816 0.92 0.982 0.99 0.975 0.718 0.832 0.703 Compound_18 Oc1ccc(c(c1)O)C(=O)c1ccccc1 0.962 0.801 0.944 0.821 0.923 0.985 0.993 0.865 0.718 0.664 0.749 Compound_19 COc1ccc(c(c1)O)C(=O)c1ccccc1 0.93 0.738 0.95 0.837 0.925 0.931 0.957 0.015 0.715 0.141 0.808 Compound_20 CCCCOC(=O)c1ccccc1C(=O)O 0.679 0.109 0.266 0.412 0.105 0.066 0.984 0.057 0.578 0.132 0.552 Compound_21 O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O 0.933 0.74 0.384 0.711 0.095 0.898 0.743 0.997 0.381 0.061 0.319 Compound_22 Oc1ccc2c(c1)cccc2 0.953 0.831 0.958 0.617 0.812 0.609 0.999 0.893 0.899 0.991 0.949 Compound_23 CC(c1ccc(cc1)O)(CC(C)(C)C)C 0.923 0.085 0.458 0.575 0.743 0.902 0.823 0.151 0.654 0.65 0.124 Compound_24 O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl 0.94 0.588 0.732 0.644 0.905 0.651 0.966 0.933 0.345 0.998 0.904 Compound_25 CCCC[Sn](CCCC)(CCCC)Cl 0.948 0.705 0.267 0.682 0.876 0.898 0.991 0.987 0.947 0.999 0.845 Compound_26 FC(C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)O)(F)F 0.973 0.717 0.8 0.726 0.991 0.955 0.996 0.919 0.614 0.848 0.983 Compound_27 Sc1nc2c(s1)cccc2 0.973 0.65 0.938 0.63 0.57 0.098 0.99 0.892 0.917 0.992 0.623 Compound_28 CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2 0.276 0.663 0.866 0.6 0.307 0.767 0.006 0.547 0.544 0.084 0.724 Compound_29 C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O 0.955 0.418 0.944 0.678 0.938 0.925 0.888 0.966 0.353 0.99 0.918 Compound_30 CCCCCCCCc1ccc(cc1)O 0.934 0.137 0.355 0.573 0.595 0.836 0.416 0.949 0.963 0.978 0.723 Compound_31 CCNc1nc(NC(C)C)nc(n1)Cl 0.343 0.21 0.657 0.394 0.042 0.083 0.0 0.087 0.511 0.253 0.06 Compound_32 ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl 0.407 0.813 0.507 0.673 0.948 0.934 0.927 0.972 0.538 0.998 0.918 Compound_33 Cc1ccc(c(c1)n1nc2c(n1)cccc2)O 0.287 0.851 0.845 0.709 0.265 0.898 0.854 0.459 0.95 0.733 0.764 Compound_34 Oc1ccccc1Cc1ccccc1O 0.809 0.593 0.807 0.674 0.688 0.636 0.973 0.989 0.771 0.845 0.679 Compound_35 CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C 0.801 0.267 0.884 0.722 0.801 0.098 0.978 0.957 0.354 0.995 0.864 Compound_36 C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C 0.944 0.269 0.785 0.523 0.905 0.898 0.997 0.884 0.934 0.994 0.576 Compound_37 Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl 0.968 0.144 0.664 0.603 0.66 0.805 0.998 0.984 0.755 0.999 0.087 Compound_38 O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C 0.939 0.678 0.668 0.637 0.72 0.448 0.983 0.688 0.449 0.301 0.672 Compound_39 CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C 0.955 0.427 0.992 0.88 0.439 0.675 0.867 0.654 0.511 0.934 0.648 Compound_40 CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C 0.371 0.714 0.793 0.613 0.317 0.846 0.98 0.072 0.745 0.96 0.087 Compound_41 Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl 0.973 0.582 0.688 0.721 0.093 0.465 0.837 0.759 0.724 0.991 0.995 Compound_42 CCC(Nc1c(cc(c(c1N(=O)=O)C)C)N(=O)=O)CC 0.748 0.331 0.932 0.446 0.652 0.069 0.009 0.377 0.612 0.98 0.822 Compound_43 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_44 Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2([C@H]1CCC2=O)C 0.789 0.99 0.363 0.751 0.974 0.997 0.003 0.972 0.079 0.998 0.639 Compound_45 Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1 0.92 0.905 0.984 0.897 0.909 0.898 0.992 0.984 0.907 0.181 0.93 Compound_46 Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O 0.952 0.937 0.989 0.918 0.925 0.984 0.998 0.964 0.95 0.078 0.983 Compound_47 OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C 0.959 1.0 0.015 0.889 0.588 0.933 0.006 0.078 0.031 0.142 0.071 Compound_48 Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C 0.952 0.924 0.01 0.409 0.99 0.947 0.13 0.213 0.056 0.988 0.731 Compound_49 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 Compound_50 CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1)CC 0.171 0.475 0.232 0.531 0.92 0.984 0.002 0.668 0.058 0.52 0.659 Compound_51 COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC 0.653 0.81 0.467 0.331 0.871 0.701 0.988 0.206 0.734 0.213 0.807 Compound_52 CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O 0.959 0.573 0.468 0.613 0.956 0.364 0.867 0.977 0.145 0.989 0.465 Compound_53 OC(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O 0.183 0.464 0.163 0.548 0.978 0.866 0.998 0.128 0.229 0.897 0.918 Compound_54 CCCCC(COC(=O)c1ccc(cc1)O)CC 0.844 0.285 0.685 0.645 0.91 0.939 0.49 0.018 0.872 0.535 0.5 Compound_55 N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C 0.869 0.612 0.788 0.665 0.981 0.617 0.589 0.778 0.25 0.202 0.462 Compound_56 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C 0.952 0.98 0.023 0.924 0.947 0.865 0.961 0.904 0.235 0.999 0.918 Compound_57 Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl 0.033 0.43 0.25 0.124 0.543 0.576 0.004 0.02 0.058 0.041 0.236 Compound_58 Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O 0.816 0.852 0.982 0.896 0.908 0.982 0.995 0.989 0.878 0.014 0.834 Compound_59 Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O 0.952 0.905 0.982 0.896 0.953 0.99 0.995 0.99 0.95 0.181 0.93 Compound_60 O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C 0.878 0.978 0.018 0.72 0.898 0.831 0.006 0.919 0.058 0.97 0.349 Compound_61 ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl 0.784 0.425 0.864 0.721 0.929 0.359 0.95 0.559 0.288 0.983 0.577 Compound_62 O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O 0.952 0.628 0.189 0.612 0.091 0.898 0.482 0.962 0.419 0.048 0.468 Compound_63 N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br 0.881 0.506 0.824 0.764 0.849 0.4 0.929 0.162 0.399 0.882 0.259 Compound_64 Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C 0.952 0.907 0.068 0.373 0.984 0.996 0.006 0.065 0.045 0.998 0.934 Compound_65 c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4 0.988 0.649 0.974 0.697 0.937 0.898 0.998 0.968 0.95 1.0 0.952 Compound_66 C[Si]1(C)O[Si](C)(C)O[Si](O[Si](O1)(C)C)(C)C 0.744 0.132 0.294 0.516 0.334 0.464 0.899 0.689 0.903 0.983 0.452 Compound_67 CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O 0.832 0.916 0.282 0.558 0.927 0.98 0.8 0.943 0.828 0.99 0.992 Compound_68 c1ccc2c(c1)cc1c(c2)ccc2c1cccc2 0.988 0.649 0.974 0.697 0.843 0.737 0.998 0.968 0.931 1.0 0.952 Compound_69 CCC1(C(=O)NC(=NC1=O)[O-])c1ccccc1 0.118 0.405 0.325 0.479 0.035 0.529 0.014 0.206 0.378 0.0 0.251 Compound_70 C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O 0.981 0.993 0.013 0.367 0.984 0.961 0.067 0.082 0.124 0.998 0.918 Compound_71 O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C)C 0.998 1.0 0.095 0.522 0.869 0.898 0.015 0.397 0.141 0.999 0.401 Compound_72 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 Compound_73 O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C 0.984 1.0 0.016 0.874 0.944 0.898 0.037 0.405 0.058 0.996 0.168 Compound_74 Oc1ccc(cc1)C(c1ccccc1)(C)C 0.955 0.558 0.749 0.64 0.92 0.981 0.972 0.94 0.665 0.79 0.765 Compound_75 Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 0.149 0.693 0.739 0.794 0.905 0.688 0.237 0.901 0.658 0.754 0.946 Compound_76 Nc1n[nH]cn1 0.253 0.224 0.883 0.373 0.256 0.204 0.001 0.314 0.949 0.191 0.656 Compound_77 CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C 0.053 0.221 0.276 0.543 0.086 0.066 0.097 0.093 0.094 0.533 0.087 Compound_78 CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC 0.807 0.078 0.671 0.583 0.093 0.499 0.968 0.013 0.767 0.992 0.729 Compound_79 OC(=O)c1ccccc1 0.595 0.09 0.484 0.375 0.038 0.038 0.978 0.229 0.692 0.033 0.141 Compound_80 Clc1ccc(c(c1)Cl)[C@]1(OC[C@@H](O1)COc1ccc(cc1)N1CCN(CC1)C(=O)C)Cn1cncc1 0.053 0.769 0.891 0.723 0.893 0.85 0.02 0.993 0.413 0.961 0.416 Compound_81 C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O 0.102 0.763 0.005 0.521 0.026 0.898 0.928 0.821 0.924 0.139 0.026 Compound_82 N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C 0.869 0.612 0.788 0.665 0.981 0.617 0.589 0.778 0.25 0.202 0.462 Compound_83 C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12 0.986 1.0 0.058 0.678 0.924 0.898 0.037 0.945 0.555 0.99 0.087 Compound_84 CCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1 0.417 0.393 0.01 0.906 0.964 0.986 0.004 0.186 0.351 0.015 0.154 Compound_85 C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OC 0.952 0.943 0.023 0.458 0.945 0.955 0.062 0.896 0.128 0.966 0.911 Compound_86 COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC 0.934 0.612 0.411 0.772 0.905 0.983 0.892 0.026 0.181 0.716 0.975 Compound_87 ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl 0.94 0.645 0.645 0.653 0.906 0.974 0.961 0.974 0.471 0.998 0.849 Compound_88 OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O 0.89 0.819 0.009 0.262 0.964 0.675 0.101 0.984 0.427 0.895 0.601 Compound_89 Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O 0.952 0.683 0.866 0.634 1.0 0.991 0.997 0.09 0.457 0.881 0.92 Compound_90 CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C 0.951 0.82 0.502 0.646 0.967 0.99 0.969 0.949 0.535 0.794 0.918 Compound_91 ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl 0.914 0.67 0.853 0.609 0.695 0.585 0.998 0.774 0.548 0.998 0.818 Compound_92 Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl 0.818 0.437 0.1 0.528 0.94 0.922 0.952 0.848 0.095 1.0 0.928 Compound_93 CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C 0.961 0.512 0.722 0.686 0.682 0.707 0.993 0.984 0.476 0.996 0.989 Compound_94 C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12 0.986 1.0 0.058 0.76 0.924 0.898 0.037 0.967 0.735 0.997 0.328 Compound_95 CC(c1ccc(cc1)O)(c1ccc(cc1)O)C 0.976 0.629 0.722 0.637 0.948 0.983 0.981 0.957 0.711 0.747 0.875 Compound_96 Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O 0.735 0.516 0.452 0.686 0.468 0.661 0.576 0.434 0.582 0.756 0.348 Compound_97 CCC(c1ccc(cc1)O)(C)C 0.87 0.105 0.399 0.586 0.743 0.902 0.823 0.145 0.755 0.776 0.264 Compound_98 CC[C@@H](C(=O)O[C@H]1C[C@H](O)C=C2[C@H]1[C@@H](CC[C@H](C[C@H](CC(=O)[O-])O)O)[C@H](C=C2)C)C 0.922 0.827 0.2 0.537 0.935 0.597 0.252 0.987 0.349 0.96 0.554 Compound_99 Clc1c(Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl 0.969 0.122 0.883 0.617 0.113 0.473 0.999 0.995 0.758 0.999 0.936 Compound_100 Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O 0.952 0.338 0.199 0.879 0.845 0.742 0.935 0.854 0.511 0.967 0.918 Compound_101 CC[C@H]([C@@H](c1ccc(cc1)O)CC)c1ccc(cc1)O 0.567 0.756 0.226 0.541 0.949 0.966 0.963 0.874 0.211 0.956 0.918 Compound_102 O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1 0.935 0.372 0.314 0.527 0.5 0.539 0.996 0.116 0.52 0.968 0.692 Compound_103 CCOC(=O)c1ccccc1C(=O)OCC 0.806 0.093 0.968 0.586 0.053 0.034 0.994 0.01 0.442 0.797 0.584 Compound_104 CCCCOC(=O)c1ccccc1C(=O)OCCCC 0.882 0.106 0.591 0.604 0.099 0.049 0.988 0.054 0.701 0.745 0.602 Compound_105 CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC 0.935 0.108 0.591 0.596 0.099 0.049 0.988 0.27 0.719 0.995 0.825 Compound_106 CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1 0.845 0.433 0.619 0.614 0.281 0.237 0.988 0.095 0.671 0.841 0.807 Compound_107 Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl 0.908 0.149 0.843 0.688 0.905 0.902 0.987 0.969 0.796 0.994 0.918 Compound_108 CCCOC(=O)c1ccc(cc1)O 0.537 0.168 0.945 0.728 0.872 0.915 0.829 0.061 0.661 0.015 0.12 Compound_109 Oc1ccc(cc1)C(=O)OCc1ccccc1 0.631 0.699 0.886 0.681 0.969 0.991 0.996 0.099 0.95 0.041 0.62 Compound_110 CCCCOC(=O)c1ccc(cc1)O 0.656 0.185 0.893 0.718 0.872 0.915 0.829 0.089 0.95 0.016 0.191 Compound_111 Oc1ccc(cc1C(C)(C)C)C(C)(C)C 0.873 0.051 0.772 0.642 0.5 0.954 0.132 0.659 0.856 0.988 0.5 Compound_112 CCN(C(=S)SSC(=S)N(CC)CC)CC 0.206 0.168 0.353 0.598 0.208 0.898 0.037 0.714 0.95 0.999 0.607 Compound_113 CC(c1ccc(cc1)O)(C)C 0.922 0.067 0.672 0.592 0.649 0.857 0.643 0.197 0.81 0.701 0.211 Compound_114 O=N(=O)c1cccc(c1)N(=O)=O 0.989 0.323 0.933 0.588 0.093 0.224 0.997 0.989 0.781 0.999 0.862 Compound_115 COC(=O)c1ccc(cc1)O 0.815 0.116 0.841 0.615 0.82 0.866 0.837 0.008 0.964 0.025 0.055 Compound_116 Oc1ccc(cc1)C(=O)O 0.571 0.149 0.271 0.474 0.542 0.664 0.905 0.234 0.467 0.022 0.096