Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(=O)O[Hg]c1ccccc1	0.952	0.285	0.683	0.575	0.855	0.818	0.999	0.949	0.94	0.994	0.918
Compound_2	CC(=O)Nc1ccccc1	0.758	0.323	0.779	0.571	0.065	0.098	0.944	0.487	0.796	0.914	0.39
Compound_3	CC(=O)Nc1cccc(c1)N	0.505	0.214	0.762	0.595	0.061	0.108	0.826	0.267	0.799	0.268	0.439
Compound_4	CC(=O)Nc1ccc(cc1)O	0.445	0.337	0.705	0.431	0.512	0.124	0.084	0.128	0.956	0.044	0.177
Compound_5	CC(=O)Nc1ccc(cc1)C=NNC(=S)N	0.514	0.298	0.937	0.531	0.093	0.098	0.106	0.019	0.557	0.207	0.172
Compound_6	ClCC(=O)c1ccc(cc1)NC(=O)C	0.952	0.3	0.833	0.711	0.723	0.863	0.994	0.989	0.685	0.716	0.878
Compound_7	OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I	0.064	0.515	0.03	0.356	0.093	0.262	0.004	0.031	0.362	0.01	0.277
Compound_8	COc1ccc(cc1)CCC(=O)C	0.681	0.205	0.501	0.688	0.106	0.529	0.98	0.387	0.556	0.224	0.2
Compound_9	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.561	0.325	0.264	0.465	0.126	0.098	0.974	0.196	0.498	0.674	0.087
Compound_10	CC(=O)CC(c1c(=O)oc2c(c1[O-])cccc2)c1ccccc1	0.6	0.419	0.643	0.503	0.053	0.066	0.965	0.091	0.511	0.707	0.784
Compound_11	CC(=O)CC(c1c(=O)oc2c(c1[O-])cccc2)c1ccccc1	0.6	0.419	0.643	0.503	0.053	0.066	0.965	0.091	0.511	0.707	0.784
Compound_12	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)Cl	0.609	0.303	0.198	0.447	0.446	0.247	0.857	0.469	0.453	0.803	0.282
Compound_13	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)N(=O)=O	0.668	0.574	0.269	0.396	0.477	0.36	0.999	0.612	0.463	0.982	0.829
Compound_14	COC(CC(=O)C)(C)C	0.788	0.014	0.034	0.46	0.034	0.015	0.938	0.439	0.549	0.201	0.8
Compound_15	COC(=O)CC(=O)C	0.693	0.012	0.261	0.521	0.057	0.027	0.993	0.957	0.49	0.053	0.648
Compound_16	O=C(Nc1ccccc1)CC(=O)C	0.737	0.264	0.949	0.609	0.094	0.196	0.768	0.38	0.489	0.432	0.201
Compound_17	CC(=O)c1ccc[nH]1	0.27	0.227	0.465	0.459	0.164	0.604	0.003	0.056	0.916	0.517	0.822
Compound_18	COc1ccc(cc1)C(=O)C	0.866	0.155	0.823	0.688	0.197	0.924	0.932	0.034	0.631	0.485	0.284
Compound_19	CC(=O)c1ccc(cc1)C(=O)C	0.938	0.151	0.736	0.536	0.043	0.371	0.891	0.416	0.557	0.753	0.668
Compound_20	CC(=O)c1ccc(cc1)N(=O)=O	0.989	0.185	0.804	0.574	0.137	0.195	0.994	0.871	0.587	0.987	0.797
Compound_21	COC(=O)CC(C(=O)OC)C(=O)C	0.653	0.01	0.229	0.518	0.088	0.069	0.984	0.946	0.526	0.08	0.859
Compound_22	[O-]C(=O)C	0.769	0.059	0.129	0.298	0.033	0.008	0.9	0.891	0.776	0.922	0.889
Compound_23	[O-]C(=O)C	0.769	0.059	0.129	0.298	0.033	0.008	0.9	0.891	0.776	0.922	0.889
Compound_24	[O-]C(=O)C	0.769	0.059	0.129	0.298	0.033	0.008	0.9	0.891	0.776	0.922	0.889
Compound_25	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C	0.974	1.0	0.031	0.777	0.884	0.94	0.004	0.978	0.058	0.999	0.25
Compound_26	O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C	0.954	1.0	0.063	0.948	0.788	0.928	0.717	0.998	0.066	0.929	0.093
Compound_27	OC/C=C(\CCC=C(C)C)/C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_28	O=COC/C=C(/CCC=C(C)C)\C	0.773	0.042	0.737	0.475	0.263	0.179	0.977	0.947	0.807	0.999	0.935
Compound_29	C/C(=C\COC(=O)C)/CCC=C(C)C	0.836	0.042	0.711	0.574	0.415	0.059	0.985	0.984	0.91	0.999	0.935
Compound_30	OC/C=C(/CCC=C(C)C)\C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_31	CC(=CCC/C(=C/C(=O)O)/C)C	0.325	0.013	0.227	0.355	0.483	0.033	0.832	0.748	0.753	0.669	0.747
Compound_32	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.863	0.523	0.851	0.607	0.093	0.098	0.991	0.993	0.459	0.995	0.949
Compound_33	O=CC=C(C)C	0.879	0.135	0.65	0.61	0.098	0.125	0.984	0.996	0.928	0.999	0.984
Compound_34	CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)NC(=O)CCl	0.821	0.73	0.052	0.496	0.967	0.489	0.824	0.99	0.455	0.959	0.918
Compound_35	CC(=CC(C)(C)C)C	0.902	0.098	0.715	0.662	0.176	0.008	0.918	0.987	0.962	0.999	0.938
Compound_36	CC(=C)CC(C)(C)C	0.926	0.086	0.378	0.542	0.187	0.005	0.899	0.984	0.912	0.999	0.915
Compound_37	O=C(C(=C)C)OCCOc1ccccc1	0.607	0.32	0.663	0.748	0.316	0.057	0.631	0.897	0.904	0.983	0.292
Compound_38	CC(=C)C(=O)OCC1CO1	0.984	0.203	0.218	0.722	0.637	0.067	0.702	0.924	0.95	0.998	0.884
Compound_39	CC#CCC([C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1c1cccc(c1O2)CCCC(=O)[O-])O)C	0.695	0.488	0.039	0.52	0.905	0.898	0.741	0.87	0.213	0.915	0.383
Compound_40	N1CCN(CC1)Cc1ccccc1	0.012	0.24	0.009	0.163	0.001	0.095	0.0	0.041	0.321	0.005	0.015
Compound_41	C1N2CN3CN1CN(C2)C3	0.471	0.357	0.117	0.262	0.249	0.098	0.002	0.958	0.831	0.991	0.188
Compound_42	Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3	0.279	0.442	0.288	0.424	0.685	0.213	0.044	0.992	0.83	0.965	0.348
Compound_43	S=C1SCN(CN1Cc1ccccc1)Cc1ccccc1	0.333	0.508	0.287	0.272	0.09	0.981	0.964	0.109	0.911	0.969	0.237
Compound_44	OC(=O)CCCCC1SSCC1	0.651	0.365	0.066	0.162	0.257	0.098	0.983	0.074	0.105	0.084	0.415
Compound_45	O=S1(=O)OCCO1	0.726	0.423	0.403	0.498	0.046	0.117	0.684	0.719	0.079	0.903	0.347
Compound_46	O1CCN(CC1)SSN1CCOCC1	0.099	0.341	0.337	0.511	0.096	0.084	0.069	0.29	0.383	0.587	0.554
Compound_47	O1CCN(CC1)SSc1nc2c(s1)cccc2	0.627	0.454	0.941	0.492	0.551	0.685	0.053	0.106	0.729	0.848	0.551
Compound_48	O1CCN(CC1)Sc1nc2c(s1)cccc2	0.666	0.454	0.979	0.499	0.551	0.685	0.053	0.106	0.729	0.197	0.255
Compound_49	OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2	0.05	0.474	0.206	0.124	0.059	0.205	0.005	0.011	0.18	0.12	0.212