Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	c1ccc(cc1)SSc1ccccc1	0.953	0.558	0.928	0.568	0.634	0.805	0.998	0.833	0.869	1.0	0.771
Compound_2	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_3	CCOC(=O)C1(CCN(CC1)CCC(c1ccccc1)(c1ccccc1)C#N)c1ccccc1	0.69	0.734	0.031	0.276	0.868	0.392	0.924	0.843	0.334	0.03	0.918
Compound_4	O=C1C=C(C)C(=O)C(=C1C)C	0.921	0.38	0.891	0.641	0.157	0.049	0.697	0.982	0.901	0.998	0.94
Compound_5	CCC1(O)CCC2C1(C)CCC1C2CCC2=CCCCC12	0.978	0.99	0.085	0.512	0.944	0.855	0.074	0.975	0.375	0.998	0.918
Compound_6	O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1	0.035	0.249	0.027	0.054	0.13	0.405	0.117	0.022	0.196	0.121	0.087
Compound_7	OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1	0.035	0.328	0.224	0.043	0.101	0.484	0.001	0.005	0.215	0.085	0.07
Compound_8	Nc1noc(c1)C	0.263	0.345	0.643	0.519	0.15	0.074	0.012	0.098	0.857	0.52	0.396
Compound_9	CC1CCC(C(=O)C1)C(C)C	0.976	0.147	0.176	0.415	0.059	0.02	0.606	0.51	0.402	0.997	0.418
Compound_10	COc1cc(CC(N)C)cc(c1OC)OC	0.118	0.088	0.6	0.518	0.033	0.119	0.005	0.036	0.773	0.051	0.061
Compound_11	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_12	O=C1CCC2(C(=C1Cl)CCC1C2CCC2(C1CCC2O)C)C	0.98	1.0	0.013	0.87	0.976	0.94	0.178	0.965	0.097	0.987	0.282
Compound_13	C=CC(OC(=O)CC(C)C)(CCC=C(C)C)C	0.896	0.048	0.704	0.682	0.426	0.024	0.638	1.0	0.425	0.998	0.901
Compound_14	NC(=N)N1CCc2c(C1)cccc2	0.047	0.387	0.552	0.449	0.005	0.749	0.001	0.182	0.522	0.011	0.032
Compound_15	NCC(c1ccc(cc1)Cl)CC(=O)O	0.053	0.122	0.02	0.134	0.134	0.083	0.001	0.001	0.161	0.001	0.014
Compound_16	Oc1ccc(cc1)C(=O)c1ccccc1	0.948	0.752	0.814	0.785	0.905	0.996	0.993	0.544	0.934	0.396	0.805
Compound_17	C=C1CCC2OC2(CCC2C1CC2(C)C)C	0.956	0.234	0.047	0.557	0.838	0.639	0.955	0.948	0.361	0.999	0.939
Compound_18	Nc1ccccc1SSc1ccccc1N	0.839	0.557	0.962	0.588	0.766	0.775	0.99	0.994	0.899	0.997	0.788
Compound_19	O=C(c1ccc(c(c1O)O)O)c1ccccc1	0.949	0.761	0.866	0.764	0.939	0.898	0.936	0.857	0.828	0.953	0.658
Compound_20	O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1	0.039	0.067	0.074	0.099	0.298	0.394	0.003	0.023	0.282	0.017	0.187
Compound_21	O=C1C2(C)CCC(C1(C)C)C2	0.976	0.492	0.256	0.428	0.216	0.101	0.035	0.064	0.176	0.972	0.417
Compound_22	NCC1CCC(CC1)C(=O)O	0.028	0.092	0.013	0.17	0.025	0.02	0.001	0.014	0.064	0.0	0.018
Compound_23	CCNC1C2CCC(C1c1ccccc1)C2	0.038	0.422	0.058	0.186	0.113	0.154	0.001	0.234	0.232	0.967	0.265
Compound_24	COc1ncnc(c1)NS(=O)(=O)c1ccc(cc1)N	0.053	0.171	0.064	0.085	0.093	0.35	0.002	0.018	0.067	0.001	0.084
Compound_25	CNc1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.737	0.644	0.983	0.664	0.353	0.089	0.715	0.977	0.67	0.745	0.995
Compound_26	CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C	0.54	0.461	0.328	0.583	0.202	0.69	0.103	0.023	0.878	0.981	0.714
Compound_27	CC12Cc3nonc3CC1CCC1C2CCC2(C1CCC2(C)O)C	0.952	0.926	0.186	0.639	0.883	0.555	0.149	0.664	0.211	0.613	0.751
Compound_28	O=CC1C(C)CC(=CC1C)C	0.951	0.343	0.4	0.625	0.107	0.127	0.638	0.964	0.701	0.999	0.789
Compound_29	CCSc1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1	0.071	0.611	0.155	0.251	0.738	0.316	0.1	0.486	0.058	0.077	0.104
Compound_30	O=CC1C(C)CC(=CC1C)C	0.951	0.343	0.4	0.625	0.107	0.127	0.638	0.964	0.701	0.999	0.789
Compound_31	Oc1ccc(cc1)C(=O)c1ccc(cc1O)O	0.97	0.776	0.936	0.821	0.92	0.982	0.99	0.902	0.882	0.832	0.703
Compound_32	CC1CCC(C(C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_33	Cc1cc(c(c(c1CC1=NCCN1)C)O)C(C)(C)C	0.05	0.476	0.009	0.178	0.019	0.098	0.001	0.024	0.693	0.034	0.084
Compound_34	O=C1CCCCC1C1=CCCCC1	0.987	0.48	0.732	0.641	0.245	0.097	0.705	0.524	0.432	0.999	0.907
Compound_35	OCC(=Cc1ccccc1)C	0.78	0.353	0.369	0.546	0.059	0.162	0.799	0.834	0.489	0.435	0.54
Compound_36	CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C	0.901	0.429	0.229	0.554	0.118	0.455	0.323	0.089	0.87	0.987	0.84
Compound_37	CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1	0.001	0.513	0.038	0.391	0.017	0.29	0.01	0.019	0.254	0.023	0.343
Compound_38	OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CC(C1=CC(=O)CCC21C)F)(C)C	0.69	1.0	0.002	0.934	0.857	0.912	0.071	0.343	0.222	0.208	0.087
Compound_39	O=C1CCC2(C(=C1)CC(C1C2CCC2(C1CCC2(C)O)C)C)C	0.984	1.0	0.019	0.828	0.941	0.938	0.102	0.581	0.06	0.996	0.168
Compound_40	CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC	0.782	0.058	0.842	0.698	0.19	0.154	0.99	0.957	0.445	0.99	0.593
Compound_41	O=C1NCC(O1)COc1cc(C)cc(c1)C	0.068	0.255	0.858	0.356	0.058	0.068	0.065	0.925	0.424	0.013	0.067
Compound_42	CN(CCC=C1c2ccccc2OCc2c1cccc2)C	0.053	0.536	0.001	0.184	0.417	0.423	0.006	0.035	0.347	0.158	0.275
Compound_43	O=CNc1c(C)n(n(c1=O)c1ccccc1)C	0.079	0.377	0.052	0.326	0.159	0.261	0.012	0.228	0.562	0.037	0.186
Compound_44	O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccn1	0.553	0.748	0.918	0.575	0.635	0.651	0.001	0.929	0.573	0.13	0.57
Compound_45	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1	0.053	0.791	0.009	0.068	0.931	0.761	0.055	0.034	0.95	0.007	0.056
Compound_46	CCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.933	0.693	0.832	0.782	0.974	0.964	0.9	0.875	0.695	0.875	0.971
Compound_47	OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2O)C)C	0.928	0.98	0.027	0.653	0.938	0.915	0.04	0.712	0.184	0.987	0.615
Compound_48	N#CC=Cc1ccccc1	0.966	0.282	0.684	0.74	0.163	0.057	0.998	0.91	0.977	0.981	0.853
Compound_49	Oc1ccc(c(c1)C(C)(C)C)O	0.885	0.083	0.875	0.633	0.63	0.098	0.118	0.977	0.765	0.986	0.663
Compound_50	CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2	0.053	0.639	0.089	0.215	0.62	0.539	0.219	0.031	0.321	0.137	0.701