Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCC(C(=O)O)Cc1ccc(c(c1)CNC(=O)c1ccc(cc1)Oc1ccc(cc1)Cl)OC	0.668	0.715	0.313	0.308	0.348	0.976	0.754	0.047	0.291	0.134	0.312
Compound_2	O=C(c1sc(nc1C)c1ccc(cc1)C(F)(F)F)NCc1ccc(cc1)NS(=O)(=O)C	0.431	0.623	0.918	0.751	0.521	0.826	0.85	0.862	0.442	0.021	0.516
Compound_3	CCC(C(=O)O)Cc1ccc(c(c1)CNC(=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)OC	0.749	0.807	0.08	0.317	0.665	0.99	0.971	0.268	0.375	0.026	0.778
Compound_4	CC[C@](C(=O)O)(Cc1ccc(cc1)OCCCOc1ccc(cc1Cl)CC(F)(F)F)C	0.49	0.627	0.41	0.557	0.975	0.798	0.799	0.84	0.328	0.733	0.651
Compound_5	Cc1ccc(c(c1)C)c1oc(c(n1)CCCC[C@@H]1CO[C@](OC1)(C)C(=O)O)C	0.355	0.841	0.512	0.409	0.369	0.572	0.883	0.638	0.228	0.566	0.629
Compound_6	CC(c1ccc(cc1)NC(=O)N(CCc1ccc(cc1)c1ccccc1)CCc1ccc(cc1)SC(C(=O)O)(C)C)C	0.286	0.462	0.324	0.603	0.968	0.859	0.987	0.387	0.431	0.053	0.34
Compound_7	CCOC(C(=O)O)Cc1ccc(cc1)OC/C=C/c1cc(CCc2ccccc2)cc(c1)CCc1ccccc1	0.685	0.573	0.618	0.601	0.926	0.899	0.774	0.824	0.295	0.969	0.488
Compound_8	CC(C[C@@]1(OC[C@H](CO1)CCCCc1nc(oc1C)c1ccccc1)C(=O)O)C	0.424	0.791	0.915	0.434	0.379	0.553	0.801	0.602	0.157	0.643	0.367
Compound_9	CCCON=C(C(C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)C(C)C)C	0.651	0.694	0.193	0.404	0.53	0.599	0.925	0.832	0.269	0.256	0.527
Compound_10	CCOC(C(=O)O)Cc1ccc(cc1)OCCN1CCC(c2c1ccc(c2)/C(=N/OCc1ccccc1)/c1ccccc1)(C)C	0.768	0.781	0.016	0.537	0.953	0.881	0.909	0.887	0.343	0.736	0.625
Compound_11	Clc1ccc(cc1)c1ccc(cc1)C(=O)NCc1ccc(cc1)OC(C(=O)O)(C)C	0.097	0.591	0.367	0.399	0.39	0.931	0.613	0.08	0.405	0.089	0.17
Compound_12	Cc1oc(nc1CCOc1ccc(cc1)C[C@@](C(=O)O)(Oc1ccccc1)C)c1ccccc1	0.332	0.764	0.775	0.509	0.718	0.605	0.966	0.783	0.212	0.008	0.57
Compound_13	COC(C1CC1c1cc(C)c(c(c1)C)OC(C(=O)O)(C)C)c1ccc(cc1)OC(F)(F)F	0.388	0.582	0.139	0.491	0.915	0.321	0.924	0.484	0.362	0.462	0.721
Compound_14	OC(=O)CCC(=NOCCCCCc1nc(oc1C)c1ccc(cc1)C)c1ccccc1	0.42	0.713	0.809	0.333	0.649	0.618	0.987	0.216	0.277	0.722	0.603
Compound_15	Clc1cc(ccc1OCCCOc1ccc2c(c1)O[C@@](CC2)(C)C(=O)O)OC(F)(F)F	0.334	0.52	0.26	0.544	0.882	0.574	0.819	0.594	0.313	0.726	0.472
Compound_16	CCOC(C(=O)O)Cc1ccc(cc1)OC/C=C/c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1	0.718	0.527	0.773	0.593	0.926	0.899	0.774	0.688	0.343	0.844	0.434
Compound_17	OC(=O)C(Oc1cccc(c1)CCN(c1nc2c(o1)cccc2)CCCOc1ccccc1)C	0.117	0.704	0.283	0.511	0.595	0.579	0.998	0.627	0.097	0.846	0.565
Compound_18	COC(C(=O)O)Cc1ccc(nc1)OCCc1ccc(cc1C)Oc1cccc(c1)Cl	0.621	0.576	0.834	0.553	0.36	0.421	0.064	0.543	0.146	0.05	0.389
Compound_19	CCC(C(=O)O)Oc1cccc(c1)CN(c1nc2c(o1)cc(cc2)F)CCCOc1ccccc1	0.207	0.673	0.707	0.458	0.667	0.58	0.996	0.729	0.088	0.71	0.635
Compound_20	CCCc1cc2c(c(c1OC(c1ccc(cc1)C(C)C)C(=O)O)CCC)oc(=O)n2C(C)C	0.425	0.681	0.217	0.379	0.572	0.623	0.861	0.093	0.438	0.953	0.279
Compound_21	CCOC(C(=O)O)Cc1ccc(cc1)OC/C=C/c1cc(OC(C)C)cc(c1)OC(C)C	0.635	0.618	0.751	0.614	0.761	0.334	0.94	0.918	0.426	0.713	0.568
Compound_22	OC(=O)[C@]1(CCCO1)Cc1ccc(nc1)OCCc1nc(oc1C)c1ccccc1	0.491	0.749	0.472	0.465	0.374	0.55	0.244	0.408	0.07	0.32	0.675
Compound_23	OC(=O)CCN1C(=S)S/C(=C\c2ccc(cc2F)F)/C1=O	0.359	0.443	0.297	0.332	0.109	0.421	0.976	0.477	0.418	0.235	0.174
Compound_24	CCC(C(=O)O)Cc1ccc(c(c1)CNC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1)OC	0.593	0.802	0.174	0.366	0.778	0.983	0.923	0.375	0.434	0.101	0.447
Compound_25	OC(=O)CN(Cc1ccccn1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.293	0.668	0.317	0.451	0.434	0.578	0.963	0.933	0.148	0.118	0.396
Compound_26	OC(=O)C(Cc1ccc(cc1)OCCCOc1cc2OC(C)(C)C=C(c2cc1Cl)C(F)(F)F)(C)C	0.712	0.577	0.296	0.545	0.932	0.711	0.903	0.913	0.448	0.966	0.5
Compound_27	CC(=NC(C(=O)O)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)CC(=O)c1ccccc1	0.369	0.767	0.851	0.567	0.753	0.636	0.996	0.927	0.206	0.41	0.549
Compound_28	Brc1ccc(cc1)c1onc(c1)CCc1cc(C)c(c(c1)C)OC(C(=O)O)(C)C	0.262	0.681	0.65	0.387	0.451	0.681	0.9	0.448	0.435	0.621	0.759
Compound_29	C=CCn1nc(cc1c1ccc(cc1)C(C)(C)C)C(=O)NCc1ccc(c(c1)C)OC(C(=O)O)(C)C	0.557	0.643	0.267	0.495	0.538	0.791	0.966	0.825	0.374	0.597	0.447
Compound_30	Brc1ccc(cc1)c1onc(c1)Cc1cc(C)c(c(c1)C)OC(C(=O)O)(C)C	0.345	0.659	0.811	0.388	0.456	0.682	0.84	0.464	0.437	0.621	0.826
Compound_31	CCCCC(C(=O)O)Sc1ccc(cc1)OCCCOc1cccc(c1)C(F)(F)F	0.283	0.561	0.327	0.509	0.814	0.613	0.922	0.864	0.33	0.379	0.552
Compound_32	OC(=O)[C@]1(C)OC[C@@H](CO1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccc(s1)C	0.505	0.765	0.548	0.464	0.658	0.647	0.975	0.768	0.42	0.881	0.858
Compound_33	CCOC(C(=O)O)Cc1ccc(cc1)OC/C=C/c1cc(cc(c1)OC(=O)c1ccccc1)OC(=O)c1ccccc1	0.779	0.594	0.8	0.642	0.986	0.703	0.842	0.819	0.346	0.821	0.605
Compound_34	CCC([C@@H]1CCc2c1ccc(c2)OCCc1nc(oc1C)c1ccc(cc1)F)C(=O)O	0.526	0.646	0.904	0.532	0.768	0.635	0.993	0.932	0.228	0.623	0.746
Compound_35	COc1ccc(cc1)OCCCN(c1nc2c(o1)cccc2)Cc1cccc(c1)OC(C(=O)O)CC	0.177	0.768	0.316	0.538	0.685	0.592	0.994	0.642	0.109	0.416	0.648
Compound_36	CCOC(C(=O)O)Cc1ccc(cc1)OCc1nc(oc1C)c1cscc1	0.529	0.684	0.767	0.562	0.624	0.643	0.972	0.553	0.101	0.097	0.699
Compound_37	CCOc1ccc(cc1CNC(=O)c1ccc(cc1)C(F)(F)F)CC(C(=O)O)CC	0.64	0.621	0.136	0.293	0.372	0.973	0.921	0.929	0.292	0.031	0.436
Compound_38	CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c1onc2c1ccccc1	0.336	0.677	0.543	0.591	0.928	0.715	0.998	0.788	0.528	0.94	0.719
Compound_39	Clc1ccc(cc1)c1ccc(cc1)C(=O)NCc1ccc(cc1)NS(=O)(=O)C(F)(F)F	0.334	0.388	0.883	0.801	0.883	0.974	0.764	0.222	0.421	0.333	0.681
Compound_40	OC(=O)C(Oc1ccc(cc1C)SCc1snc(n1)c1ccc(c(c1)Cl)Cl)(C)C	0.367	0.636	0.963	0.647	0.574	0.683	0.927	0.809	0.361	0.228	0.526
Compound_41	CCC(C(=O)O)Oc1cccc(c1)CN(c1nc2c(o1)ccc(c2)C)CCCOc1ccccc1	0.194	0.748	0.315	0.559	0.632	0.594	0.991	0.851	0.064	0.664	0.589
Compound_42	O=C(c1cc(n(n1)C)c1ccc(cc1)c1ccccc1)NCc1ccc(c(c1)C)OC(C(=O)O)(C)C	0.564	0.675	0.188	0.544	0.677	0.776	0.989	0.336	0.446	0.216	0.537
Compound_43	COC(=O)C(C(=O)O)Cc1ccc(cc1)OCCOc1ccc2c(c1)cccc2	0.198	0.641	0.387	0.541	0.966	0.814	0.944	0.52	0.451	0.066	0.542
Compound_44	CC[C@@]1(CCc2c(O1)cc(cc2)OCCCOc1ccc(cc1Cl)OC(F)(F)F)C(=O)O	0.391	0.572	0.26	0.544	0.882	0.574	0.819	0.594	0.343	0.802	0.826
Compound_45	COC(=O)C1Cc2ccc(cc2OC1=O)OCCc1nc(oc1C)c1ccc(cc1)F	0.461	0.704	0.946	0.759	0.801	0.645	0.994	0.934	0.81	0.033	0.873
Compound_46	CCOc1ccc(cc1CNC(=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)CC(C(=O)O)CC	0.774	0.693	0.101	0.336	0.736	0.989	0.966	0.878	0.366	0.089	0.726
Compound_47	O=c1n(c(nn1c1ccc(cc1)C(F)(F)F)COc1ccc(cc1)OC(C(=O)O)(C)C)c1ccccc1F	0.647	0.655	0.031	0.463	0.896	0.743	0.954	0.261	0.377	0.153	0.457
Compound_48	COC(=O)N([C@H](c1cccc(c1)OCc1coc(n1)c1ccc(cc1)Cl)C)CC(=O)O	0.234	0.718	0.68	0.548	0.668	0.585	0.596	0.364	0.073	0.123	0.709
Compound_49	OC(=O)[C@@](Oc1ccccc1)(Cc1ccc(cc1)OCCc1nc(oc1C)c1cccs1)C	0.46	0.764	0.665	0.45	0.692	0.653	0.954	0.273	0.336	0.013	0.641
Compound_50	OC(=O)CCC(=NOCCCCON=C(c1ccc2c(c1)cccc2)C)c1ccccc1	0.512	0.541	0.661	0.309	0.682	0.859	0.977	0.594	0.334	0.968	0.672
Compound_51	CCCCOC(=O)N(Cc1cc(OCc2nc(oc2C)c2ccc(cc2)Cl)ccc1F)CC(=O)O	0.348	0.61	0.498	0.632	0.697	0.567	0.587	0.785	0.482	0.898	0.472
Compound_52	O=C(C(F)(F)F)NC(c1onc(n1)c1ccc(cc1)Oc1ccc(cc1)OCc1ccccc1)C	0.311	0.593	0.748	0.657	0.879	0.845	0.953	0.453	0.408	0.038	0.749