Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)ccc2c1cc[nH]2	0.39	0.614	0.291	0.473	0.737	0.723	0.746	0.431	0.236	0.866	0.834
Compound_2	OC(=O)C(Oc1ccc(cc1C)Oc1cc(CNC(=O)c2ccc(cc2F)C(F)(F)F)ccc1C)(C)C	0.305	0.427	0.206	0.514	0.748	0.765	0.796	0.737	0.376	0.153	0.146
Compound_3	C[C@@H](CC(=O)O)CCCOc1ccccc1Cn1c(Cl)cnc1c1ccc(cc1)C(F)(F)F	0.58	0.632	0.354	0.603	0.811	0.683	0.822	0.958	0.078	0.733	0.601
Compound_4	OC(=O)COc1ccc(cc1C)SC(c1ccc(cc1)c1ccccc1)Cc1c(F)cccc1Cl	0.349	0.472	0.333	0.527	0.855	0.74	0.392	0.174	0.392	0.616	0.515
Compound_5	COc1ccc(cc1)c1ncc(n1Cc1ccccc1OCCCC(CC(=O)O)C)C	0.331	0.669	0.262	0.528	0.54	0.76	0.106	0.964	0.132	0.571	0.733
Compound_6	Clc1ccc(c(c1)C(=O)O)NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cc(cc2)Cl	0.342	0.455	0.969	0.528	0.624	0.765	0.207	0.678	0.392	0.131	0.54
Compound_7	Clc1ccc(c(c1)C(=O)O)NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2O	0.418	0.408	0.961	0.556	0.663	0.789	0.462	0.646	0.39	0.162	0.387
Compound_8	OC(=O)COc1ccc(cc1C)OCc1nc(c(s1)c1ccc(cc1)OC(F)(F)F)c1ccc(cc1)OC(C)C	0.464	0.648	0.764	0.644	0.71	0.773	0.971	0.385	0.303	0.296	0.784
Compound_9	CCc1ccc(c(c1)c1cocn1)O[C@@H](CCOc1ccc(c(c1)C)CCC(=O)O)C	0.191	0.772	0.518	0.473	0.522	0.617	0.988	0.877	0.328	0.072	0.704
Compound_10	OC(=O)COc1ccc(cc1C)OCc1oc(nc1C)c1ccc(cc1)C(F)(F)F	0.304	0.704	0.779	0.656	0.712	0.589	0.982	0.733	0.166	0.054	0.776
Compound_11	OC(=O)C(Oc1ccc(cc1C)SCc1snc(n1)c1ccc(c(c1)Cl)C)(C)C	0.367	0.636	0.742	0.584	0.626	0.704	0.953	0.539	0.349	0.228	0.526
Compound_12	C[C@@H](CC(=O)O)CCCOc1ccccc1Cn1c(ncc1C(F)(F)F)c1ccc(cc1)C(F)(F)F	0.436	0.634	0.245	0.644	0.854	0.727	0.887	0.984	0.069	0.171	0.553
Compound_13	OC(=O)COc1ccc(cc1C)SC(c1ccc(cc1)c1cccc(c1)C(F)(F)F)Cc1ccccc1	0.361	0.558	0.202	0.576	0.835	0.747	0.808	0.458	0.322	0.439	0.6
Compound_14	Brc1ccc(c(c1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2)C(=O)O	0.353	0.435	0.949	0.515	0.426	0.652	0.544	0.63	0.397	0.188	0.535
Compound_15	CCc1ccc(c(c1)C(=O)c1ccccc1)OC(CCOc1ccc(c(c1)C)CCC(=O)O)C	0.444	0.768	0.421	0.478	0.894	0.966	0.68	0.777	0.455	0.048	0.6
Compound_16	OC(=O)COc1ccc(cc1C)SCC(=C(F)F)COc1ccc(cc1)C(F)(F)F	0.399	0.495	0.246	0.498	0.76	0.716	0.707	0.839	0.249	0.991	0.803
Compound_17	OC(=O)COc1ccc(cc1C)C(=NOCc1sc(nc1C)c1ccc(cc1)C(F)(F)F)C	0.481	0.712	0.762	0.643	0.658	0.891	0.988	0.726	0.217	0.371	0.865
Compound_18	OC(=O)CC/C(=C/COc1ccccc1Cc1c(C)[nH]nc1c1ccc(cc1)c1ccco1)/C	0.45	0.713	0.74	0.45	0.738	0.716	0.995	0.766	0.391	0.28	0.802
Compound_19	CC#CCOc1cc(ccc1Sc1ccc(c2c1CCCC2)OCC(=O)O)COc1ccc(cc1)C(F)(F)F	0.505	0.471	0.23	0.529	0.691	0.635	0.733	0.772	0.2	0.994	0.687
Compound_20	OC(=O)COc1ccc(cc1C)SC(c1sc(nc1C)c1ccc(cc1)C(F)(F)F)Cc1ccc(cc1F)F	0.637	0.614	0.904	0.683	0.858	0.76	0.998	0.669	0.374	0.034	0.691
Compound_21	CCc1ccc(cc1)c1nccc(n1)N(CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O)C	0.356	0.681	0.041	0.537	0.789	0.69	0.286	0.834	0.321	0.164	0.78
Compound_22	CCCCN(S(=O)(=O)c1ccc(c(c1C)C)OC(C(=O)O)C)c1cccc(c1Cl)c1ccc(cc1)Cl	0.487	0.573	0.595	0.54	0.597	0.649	0.331	0.119	0.187	0.327	0.345
Compound_23	OC(=O)C(Oc1ccc(cc1C)[Se]Cc1sc(nc1C)c1ccc(cc1)C(F)(F)F)(C)C	0.594	0.654	0.788	0.565	0.606	0.62	0.993	0.767	0.177	0.03	0.672
Compound_24	OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F	0.541	0.651	0.779	0.656	0.781	0.773	0.995	0.733	0.285	0.016	0.788
Compound_25	CCc1cc(ccc1C(=O)NCc1cccc(c1)Oc1ccc(c(c1)C)OC(C(=O)O)(C)C)C(F)(F)F	0.392	0.468	0.26	0.576	0.593	0.8	0.962	0.714	0.322	0.09	0.231
Compound_26	COCO[C@@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O	0.289	0.594	0.168	0.471	0.634	0.75	0.733	0.672	0.298	0.589	0.759
Compound_27	Clc1ccc(cc1F)c1ncc(n1Cc1ccccc1OCCCCC(C(=O)O)(C)C)C	0.457	0.758	0.988	0.565	0.782	0.784	0.136	0.948	0.268	0.829	0.5
Compound_28	CCC(C(=O)O)Oc1ccc(cc1C)[Se]Cc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F	0.617	0.658	0.779	0.591	0.682	0.627	0.995	0.939	0.13	0.107	0.669
Compound_29	OC(=O)COc1ccc(cc1C)SC(c1ccc(nc1)c1ccc(cc1)C(F)(F)F)Cc1cc(F)c(c(c1)F)F	0.451	0.517	0.935	0.671	0.884	0.681	0.871	0.867	0.353	0.015	0.603
Compound_30	OC(=O)COc1ccc(cc1C)CN1CCc2c(C1C(=O)Nc1ccc(cc1Cl)Cl)cccc2	0.237	0.555	0.866	0.328	0.487	0.7	0.253	0.224	0.414	0.741	0.245
Compound_31	OC(=O)COc1ccc(cc1C)OCc1nc(c(s1)c1ccc(cc1)OC(F)(F)F)c1ccc2c(c1)OCCO2	0.386	0.582	0.809	0.643	0.687	0.736	0.955	0.662	0.322	0.209	0.82
Compound_32	OC(=O)C[C@@H]1CCc2c1ccc(c2)OCCCOc1ccc2c(c1C)onc2C	0.561	0.697	0.436	0.448	0.953	0.94	0.987	0.622	0.274	0.835	0.877
Compound_33	OC(=O)CC/C(=C/COc1ccccc1CN(C(=O)c1ccc(c(c1)F)c1ccco1)C)/C	0.384	0.642	0.889	0.512	0.059	0.879	0.98	0.889	0.345	0.531	0.291
Compound_34	OC(=O)Cc1coc2c1ccc(c2)OCc1noc(c1)c1ccc(cc1)Cl	0.207	0.624	0.909	0.446	0.659	0.669	0.965	0.792	0.471	0.429	0.883
Compound_35	OC(=O)CC/C(=C/COc1ccccc1CN(C(=O)c1ccc(cc1)c1ccc(o1)C)C)/C	0.297	0.713	0.844	0.488	0.044	0.901	0.979	0.971	0.381	0.664	0.603
Compound_36	OC(=O)C(Oc1ccc(cc1C)OCc1snc(n1)c1ccc(c(c1)F)C(F)(F)F)(C)C	0.505	0.661	0.81	0.616	0.667	0.658	0.972	0.867	0.202	0.657	0.633
Compound_37	OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F	0.532	0.641	0.841	0.649	0.806	0.751	0.995	0.683	0.317	0.055	0.714
Compound_38	Fc1ccc(c(c1)C(=O)O)NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2	0.285	0.435	0.949	0.515	0.375	0.677	0.484	0.692	0.393	0.058	0.542
Compound_39	COc1ccc(cc1)c1nc(sc1c1cccc(c1)C(F)(F)F)COc1ccc(c(c1)C)OCC(=O)O	0.522	0.658	0.704	0.647	0.708	0.788	0.987	0.592	0.272	0.05	0.854
Compound_40	OC(=O)Cc1csc2c1c(Cl)cc(c2)OCc1sc(nc1C)c1ccc(cc1)C(F)(F)F	0.523	0.561	0.891	0.591	0.742	0.668	0.996	0.677	0.511	0.14	0.847
Compound_41	COc1ccc(cc1)c1nc(sc1c1ccc(cc1)OC(F)(F)F)COc1ccc(c(c1)C)OCC(=O)O	0.476	0.658	0.813	0.62	0.715	0.785	0.987	0.46	0.275	0.05	0.854
Compound_42	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_43	CCc1ccc(c(c1)c1ccncc1)O[C@@H](CCOc1ccc(c(c1)C)CCC(=O)O)C	0.13	0.759	0.537	0.44	0.298	0.653	0.029	0.742	0.321	0.009	0.404
Compound_44	OC(=O)COc1ccc(cc1C)OCc1sc(c(n1)c1cncnc1)c1ccc(cc1)OC(F)(F)F	0.533	0.602	0.933	0.673	0.558	0.667	0.997	0.458	0.275	0.064	0.724
Compound_45	OC(=O)COc1ccc(cc1C)SC(c1ccc(cc1)c1cccc(c1)C(F)(F)F)Cc1c(F)cccc1C(F)(F)F	0.43	0.538	0.319	0.576	0.86	0.715	0.897	0.427	0.364	0.6	0.5
Compound_46	N#Cc1ccc(cc1)c1ncc(n1Cc1ccccc1OCCC[C@H](CC(=O)O)C)C	0.421	0.677	0.206	0.566	0.579	0.697	0.476	0.972	0.246	0.274	0.673
Compound_47	OC(=O)C[C@@H]1CCc2c1ccc(c2)OCCCOc1ccc2c(c1)ccn2C	0.357	0.65	0.849	0.46	0.779	0.918	0.816	0.141	0.217	0.782	0.582
Compound_48	OC(=O)COc1ccc(cc1C)SCc1oc(nc1C)c1ccc(cc1)C(F)(F)F	0.346	0.714	0.779	0.656	0.704	0.639	0.99	0.733	0.254	0.105	0.817
Compound_49	CCc1ccc(cc1)c1ncc(c(n1)N(CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O)C)C	0.357	0.73	0.05	0.576	0.754	0.73	0.497	0.867	0.192	0.494	0.823
Compound_50	OC(=O)COc1ccc(cc1C)OCc1nc(c(s1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)N1CCOCC1	0.457	0.711	0.685	0.554	0.718	0.791	0.999	0.684	0.355	0.503	0.538
Compound_51	COc1ccc(cn1)c1nc(oc1c1ccc(cc1)OC(F)(F)F)COc1ccc(c(c1)C)OCC(=O)O	0.342	0.713	0.907	0.61	0.71	0.607	0.994	0.475	0.148	0.013	0.727
Compound_52	OC(=O)CCCCCOc1ccccc1CN(C(=O)c1ccc(cc1)c1ccco1)C1CC1	0.155	0.649	0.119	0.477	0.079	0.806	0.985	0.358	0.354	0.725	0.351
Compound_53	COc1ccc2c(c1)CCN(C2)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(cc1C(=O)O)Cl	0.449	0.525	0.969	0.499	0.549	0.822	0.446	0.72	0.393	0.488	0.444
Compound_54	OC(=O)C[C@@H]1CCc2c1ccc(c2)OCCCN(c1nc(ncc1C)c1ccc(cc1)Cl)C	0.347	0.685	0.347	0.534	0.826	0.661	0.193	0.728	0.164	0.102	0.699
Compound_55	Clc1ccc(c(c1)C(=O)O)NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2	0.278	0.455	0.949	0.515	0.566	0.778	0.298	0.692	0.393	0.131	0.54
Compound_56	CCCc1cc(ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O)c1sc(c(n1)CO)C(=O)O	0.53	0.614	0.186	0.547	0.515	0.869	0.973	0.771	0.48	0.48	0.857
Compound_57	OC(=O)COc1ccc(cc1C)CN1Cc2ccccc2CC1C(=O)Nc1ccc(cc1Cl)Cl	0.376	0.579	0.918	0.426	0.489	0.698	0.174	0.339	0.418	0.648	0.296