Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)C=C(C=CC1(CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)C	0.69	0.469	0.362	0.494	0.807	0.678	0.959	0.637	0.742	0.955	0.702
Compound_2	Clc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C(F)F)Cl	0.318	0.63	0.734	0.618	0.633	0.642	0.859	0.306	0.595	0.139	0.771
Compound_3	OC(=O)c1ccc(cc1)C1(OCCS1)c1ccc2c(c1)C(C)(C)CCC2(C)C	0.758	0.703	0.081	0.385	0.936	0.952	0.994	0.751	0.179	0.618	0.687
Compound_4	CCCOc1cc2c(cc1C1CCCc3c1cc(o3)/C=C/C(=O)O)C(C)(C)CCC2(C)C	0.691	0.667	0.378	0.494	0.758	0.986	0.994	0.832	0.63	0.976	0.917
Compound_5	COc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C(F)(F)F)F	0.438	0.615	0.587	0.663	0.556	0.499	0.639	0.638	0.536	0.029	0.727
Compound_6	FC(Oc1cc(ccc1F)n1nnc(c1)COc1[nH]cc(c(=N)n1)C)F	0.345	0.683	0.68	0.555	0.462	0.513	0.131	0.5	0.411	0.005	0.284
Compound_7	C/C(=C/C=CC(=CC(=O)O)C)/C=C/1\CCCC(=C1C(C)C)C1CC1	0.959	0.437	0.647	0.461	0.877	0.525	0.972	0.841	0.728	0.992	0.715
Compound_8	Fc1cnc(nc1C)OCc1nnn(c1)c1ccc(c(c1)C(F)(F)C)F	0.336	0.61	0.699	0.641	0.646	0.514	0.898	0.749	0.511	0.014	0.666
Compound_9	Cc1ccnc(n1)OCc1nnn(c1)c1cccc(c1)C(F)(F)C	0.321	0.63	0.514	0.596	0.429	0.482	0.898	0.613	0.469	0.005	0.689
Compound_10	CCOCc1ccnc(n1)OCc1nnn(c1)c1ccc(c(c1)OC(F)F)F	0.512	0.639	0.691	0.503	0.682	0.548	0.828	0.47	0.372	0.028	0.689
Compound_11	FCCOc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C)F	0.459	0.602	0.871	0.693	0.426	0.486	0.807	0.541	0.554	0.043	0.524
Compound_12	Clc1cnc(=NCc2nnn(c2)c2ccc(c(c2)C(F)F)F)[nH]c1	0.276	0.667	0.71	0.536	0.529	0.386	0.89	0.188	0.728	0.008	0.283
Compound_13	C=CCO/N=C(/c1cc2c(cc1C)C(C)(C)CCC2(C)C)\c1ccc(cc1)C(=O)O	0.723	0.585	0.276	0.527	0.799	0.978	0.989	0.91	0.106	0.209	0.664
Compound_14	CCC(c1cc(/C(=C(\C=CC(=CC(=O)O)C)/F)/C)c(c(c1)C(CC)(C)C)OCC(F)F)(C)C	0.672	0.395	0.584	0.549	0.911	0.973	0.689	0.954	0.86	0.957	0.683
Compound_15	CCN1C(=O)CC(c2c1cc(c(c2)C)c1cc(ccc1OC(F)(F)F)C(CC(=O)O)C)(C)C	0.516	0.681	0.187	0.427	0.619	0.915	0.89	0.483	0.452	0.576	0.457
Compound_16	FC(Oc1cc(ccc1Cl)n1nnc(c1)COc1ncc(cn1)C(C)C)F	0.435	0.63	0.748	0.611	0.666	0.643	0.94	0.643	0.408	0.115	0.666
Compound_17	FC(c1cc(ccc1Cl)n1nnc(c1)COc1[nH]cc(c(=N)n1)C)F	0.279	0.678	0.705	0.572	0.435	0.59	0.398	0.355	0.604	0.009	0.29
Compound_18	FC(Oc1cc(ccc1Cl)n1nnc(c1)COc1ncc(cn1)C(F)F)F	0.439	0.635	0.839	0.614	0.705	0.638	0.824	0.725	0.438	0.181	0.795
Compound_19	OC(=O)C=C(C=CC1=C(CCC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)C	0.909	0.599	0.214	0.471	0.805	0.785	0.922	0.913	0.959	0.988	0.766
Compound_20	FC(COc1c(cc(cc1C(C)C)c1cccs1)/C(=C\C=CC(=CC(=O)O)C)/C)F	0.7	0.718	0.89	0.645	0.757	0.93	0.962	0.95	0.855	0.921	0.871
Compound_21	CCc1ccnc(n1)OCc1nnn(c1)c1ccc(c(c1)OC(F)F)F	0.45	0.645	0.525	0.54	0.654	0.531	0.789	0.747	0.415	0.059	0.721
Compound_22	CCCOc1cc2c(cc1C(=C1CC1)c1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C	0.73	0.652	0.495	0.578	0.5	0.842	0.319	0.789	0.443	0.322	0.705
Compound_23	FC(c1cccc(c1)n1nnc(c1)COc1ncc(cn1)C(F)(F)F)F	0.252	0.624	0.785	0.617	0.584	0.499	0.901	0.581	0.455	0.013	0.762
Compound_24	FC(Oc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1F)C)F)F	0.505	0.635	0.491	0.553	0.556	0.499	0.639	0.571	0.413	0.045	0.661
Compound_25	C/C(=C/C=CC(=CC(=O)O)C)/C=C/1\CCCc2c1ccc(c2)C	0.743	0.496	0.831	0.523	0.598	0.661	0.952	0.94	0.945	0.981	0.875
Compound_26	CCN1c2cc(c(cc2OC(C1=O)(C)C)C)c1cc(ccc1OC(F)(F)F)C(=CC(=O)O)C	0.602	0.707	0.043	0.544	0.52	0.557	0.584	0.735	0.394	0.629	0.639
Compound_27	Fc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C(F)(F)C)F	0.345	0.622	0.699	0.667	0.616	0.499	0.855	0.781	0.606	0.019	0.703
Compound_28	CC(CCC1=C(CCC/C/1=C\C(=C/C=CC(=CC(=O)O)C)\C)C(C)C)C	0.946	0.26	0.885	0.49	0.815	0.835	0.989	0.761	0.359	0.99	0.5
Compound_29	Cc1cnc(nc1)OCc1nnn(c1)c1cccc(c1)Br	0.353	0.618	0.575	0.541	0.464	0.652	0.027	0.432	0.614	0.074	0.597
Compound_30	CCc1cnc(nc1)OCc1nnn(c1)c1cc(C)cc(c1)C	0.247	0.587	0.708	0.618	0.206	0.447	0.432	0.316	0.599	0.137	0.638
Compound_31	CC(c1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C(F)(F)F)F)O	0.355	0.599	0.544	0.584	0.648	0.499	0.631	0.444	0.382	0.011	0.697
Compound_32	C=C(c1cc2c(cc1C(C)C)C(C)(C)CCC2(C)C)c1ccc(cc1)C(=O)O	0.936	0.415	0.057	0.401	0.813	0.97	0.977	0.675	0.056	0.996	0.762
Compound_33	Clc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C)F	0.372	0.638	0.757	0.63	0.427	0.49	0.174	0.122	0.622	0.092	0.725
Compound_34	FC(COc1c(cc(cc1C(C)(C)C)C(C)(C)C)/C(=C\C=CC(=C(C(=O)O)F)C)/C)F	0.676	0.382	0.782	0.568	0.911	0.973	0.689	0.957	0.834	0.937	0.725
Compound_35	COCc1ccnc(n1)OCc1nnn(c1)c1ccc(c(c1)Cl)F	0.526	0.6	0.667	0.447	0.644	0.494	0.101	0.81	0.502	0.426	0.675
Compound_36	Clc1cnc(nc1C)OCc1nnn(c1)c1cccc(c1)C(F)(F)C	0.297	0.63	0.671	0.604	0.565	0.533	0.954	0.679	0.44	0.071	0.743
Compound_37	FC(Oc1cc(ccc1F)n1nnc(c1)COc1ncc(cn1)C(O)(C)C)F	0.424	0.618	0.777	0.643	0.676	0.546	0.925	0.393	0.374	0.005	0.619
Compound_38	FC(COCc1ccnc(n1)OCc1nnn(c1)c1ccc(c(c1)OC(F)F)F)F	0.505	0.588	0.63	0.481	0.779	0.544	0.899	0.459	0.402	0.049	0.684
Compound_39	COCc1ccnc(n1)OCc1nnn(c1)c1ccc(c(c1)C)F	0.46	0.58	0.572	0.587	0.354	0.475	0.261	0.245	0.499	0.212	0.542
Compound_40	CCc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)Cl)F	0.442	0.648	0.769	0.584	0.587	0.534	0.087	0.823	0.607	0.118	0.768
Compound_41	OC(=O)c1ccc(cc1)[C@]12CCCC[C@H]1Oc1c2cc2c(c1)C(C)(C)CCC2(C)C	0.827	0.602	0.098	0.351	0.964	0.995	0.933	0.762	0.249	0.969	0.6
Compound_42	Clc1ccc(cc1)n1nnc(c1)COc1ncc(cn1)Cl	0.313	0.642	0.541	0.518	0.5	0.596	0.073	0.319	0.536	0.067	0.709
Compound_43	FC(Oc1cc(ccc1F)n1nnc(c1)COc1cccc(n1)C)F	0.494	0.635	0.744	0.602	0.637	0.491	0.737	0.816	0.524	0.072	0.513
Compound_44	CC=C(C=C(C=C(C=C1CCCC(=C1C(C)C)CC)C)CC(=O)O)C	0.959	0.318	0.214	0.231	0.459	0.197	0.982	0.753	0.22	0.996	0.798
Compound_45	CCCCOc1c(cc(cc1C(C)C)C(C)C)/C(=C\C=CC(=CC(=O)O)C)/C	0.601	0.438	0.641	0.598	0.646	0.955	0.339	0.94	0.781	0.868	0.762
Compound_46	Cc1cc2c(cc1n1c3ccc(cc3nc1C(F)(F)F)C(=O)O)C(C)(C)CCC2(C)C	0.513	0.636	0.145	0.49	0.843	0.821	0.997	0.971	0.825	0.493	0.487
Compound_47	COc1cnc(nc1)OCc1nnn(c1)c1cccc(c1)C	0.333	0.647	0.667	0.561	0.22	0.452	0.016	0.022	0.606	0.04	0.526
Compound_48	FC(CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)c1cccc2c1cc(s2)C(=CC(=O)O)C)F	0.602	0.66	0.741	0.644	0.834	0.863	0.974	0.924	0.697	0.977	0.855
Compound_49	Cc1cnc(nc1)OCc1nnn(c1)c1ccc(c(c1)C(F)(F)C)Cl	0.379	0.63	0.699	0.629	0.612	0.645	0.931	0.757	0.581	0.071	0.743
Compound_50	FC(c1ccnc(n1)OCc1nnn(c1)c1cccc(c1)C(F)(F)C)F	0.347	0.632	0.747	0.589	0.614	0.511	0.898	0.63	0.455	0.007	0.717
Compound_51	Fc1ccc(cc1Br)n1nnc(c1)COc1ncccn1	0.468	0.602	0.667	0.471	0.519	0.652	0.128	0.895	0.672	0.161	0.69
Compound_52	CCc1cnc(=NCc2nnn(c2)c2ccc(c(c2)C(F)F)F)[nH]c1	0.291	0.726	0.731	0.561	0.435	0.37	0.832	0.429	0.743	0.005	0.339