Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(=S)N	0.281	0.068	0.435	0.479	0.018	0.026	0.421	0.49	0.959	0.994	0.622
Compound_2	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_3	CC(=O)N(C)C	0.26	0.075	0.349	0.49	0.007	0.009	0.018	0.101	0.663	0.666	0.389
Compound_4	CC(=CC(=O)O)C	0.652	0.084	0.104	0.254	0.29	0.005	0.931	0.278	0.797	0.835	0.932
Compound_5	CC(=CC(=O)C)C	0.911	0.1	0.655	0.668	0.054	0.005	0.625	0.989	0.951	1.0	0.986
Compound_6	CC(=C)OC(=O)C	0.793	0.163	0.348	0.557	0.161	0.004	0.98	0.985	0.971	0.998	0.879
Compound_7	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_8	O=S1(=O)CCCO1	0.729	0.496	0.226	0.508	0.032	0.118	0.965	0.749	0.351	0.963	0.32
Compound_9	OCCN1CCOCC1	0.039	0.119	0.11	0.097	0.017	0.021	0.007	0.12	0.145	0.044	0.038
Compound_10	C1CNCCO1	0.037	0.059	0.01	0.325	0.008	0.002	0.001	0.009	0.304	0.257	0.113
Compound_11	N1CCNCC1	0.041	0.057	0.038	0.368	0.006	0.001	0.0	0.022	0.119	0.011	0.087
Compound_12	OCCN1CCNCC1	0.008	0.087	0.012	0.133	0.004	0.001	-0.0	0.542	0.057	0.056	0.065
Compound_13	NCCN1CCNCC1	0.027	0.111	0.002	0.205	0.004	0.001	0.0	0.259	0.149	0.009	0.05
Compound_14	C1CCCS1	0.74	0.383	0.164	0.531	0.219	0.057	0.979	0.647	0.786	0.998	0.666
Compound_15	C1CCCCNC1	0.05	0.081	0.037	0.47	0.067	0.081	0.001	0.03	0.612	0.193	0.191
Compound_16	O=C1CCCCCCCCCCCN1	0.291	0.191	0.044	0.251	0.009	0.071	0.008	0.111	0.404	0.067	0.443
Compound_17	OC1CCCCC1	0.767	0.087	0.061	0.505	0.037	0.066	0.877	0.363	0.362	0.816	0.055
Compound_18	OS(=O)(=O)NC1CCCCC1	0.141	0.176	0.105	0.241	0.087	0.34	0.002	0.481	0.241	0.047	0.402
Compound_19	C1CCC(CC1)NC1CCCCC1	0.101	0.175	0.054	0.32	0.064	0.282	0.002	0.04	0.427	0.903	0.049
Compound_20	NC1CCCCC1	0.113	0.099	0.102	0.377	0.016	0.124	0.002	0.01	0.778	0.657	0.02
Compound_21	O=C1CCC(CC1)C1CCCCC1	0.979	0.305	0.172	0.462	0.153	0.091	0.526	0.24	0.597	0.993	0.635
Compound_22	O=C(c1ccccc1)C1CCCCC1	0.944	0.264	0.382	0.531	0.133	0.683	0.887	0.186	0.645	0.999	0.77
Compound_23	O=C1CCCCCN1	0.052	0.201	0.044	0.251	0.033	0.064	0.002	0.111	0.445	0.067	0.123
Compound_24	O=C1CCCCC1	0.913	0.136	0.32	0.482	0.028	0.032	0.925	0.683	0.436	0.999	0.568
Compound_25	ON=C1CCCCC1	0.831	0.402	0.72	0.484	0.102	0.336	0.851	0.668	0.483	0.871	0.798
Compound_26	C1OC1C1CCC2C(C1)O2	0.962	0.283	0.073	0.521	0.914	0.148	0.985	0.708	0.835	0.944	0.867
Compound_27	c1cc2cccc3c2c(c1)CC3	0.695	0.712	0.913	0.579	0.243	0.477	0.953	0.963	0.928	0.999	0.889
Compound_28	C1COC=CC1	0.721	0.121	0.178	0.569	0.192	0.098	0.999	0.757	0.818	0.943	0.656
Compound_29	O=C1CCCC(=O)O1	0.605	0.152	0.296	0.568	0.021	0.02	0.946	0.957	0.328	0.086	0.228
Compound_30	O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_31	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.924	0.831	0.521	0.643	0.827	0.432	0.978	0.984	0.145	0.999	0.421
Compound_32	ClC1CC2C(C1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.694	0.68	0.905	0.453	0.986	0.533	0.229	0.999	0.601
Compound_33	Oc1cccc2c1C(=O)c1c(C2)cccc1O	0.84	0.816	0.942	0.771	0.802	0.925	0.982	0.983	0.756	0.848	0.947
Compound_34	O=C1Cc2c(C1)cccc2	0.37	0.431	0.812	0.537	0.058	0.103	0.641	0.714	0.777	0.969	0.926
Compound_35	O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl	0.92	0.118	0.919	0.581	0.783	0.623	0.997	0.765	0.458	0.44	0.616
Compound_36	Nn1cnnc1	0.451	0.237	0.823	0.513	0.172	0.196	0.004	0.011	0.949	0.371	0.442
Compound_37	c1coc(c1)CNc1ncnc2c1[nH]cn2	0.204	0.578	0.856	0.39	0.484	0.669	0.027	0.37	0.302	0.135	0.66
Compound_38	c1ccc[nH]1	0.538	0.286	0.583	0.484	0.169	0.604	0.004	0.409	0.972	0.955	0.712
Compound_39	NC(=O)c1cnccn1	0.053	0.173	0.11	0.237	0.11	0.035	0.001	0.074	0.755	0.274	0.166
Compound_40	O=C1OC(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.825	0.509	0.994	0.546	0.116	0.464	0.983	0.127	0.758	0.097	0.888
Compound_41	Clc1ccccn1	0.61	0.199	0.439	0.545	0.058	0.107	0.37	0.704	0.983	0.906	0.082
Compound_42	OCCc1ccccn1	0.035	0.183	0.737	0.406	0.021	0.157	0.024	0.777	0.36	0.006	0.372
Compound_43	N#Cc1ccccn1	0.604	0.295	0.544	0.561	0.181	0.152	0.067	0.93	0.942	0.849	0.885
Compound_44	Brc1ccccn1	0.703	0.189	0.439	0.545	0.382	0.353	0.32	0.704	0.994	0.896	0.166
Compound_45	Brc1nc2c(s1)cccc2	0.913	0.647	0.989	0.612	0.5	0.814	0.991	0.801	1.002	0.991	0.416
Compound_46	c1ccc2c(c1)oc1c2cccc1	0.659	0.68	0.976	0.623	0.082	0.702	0.984	0.33	0.648	0.999	0.934
Compound_47	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.988	0.649	0.974	0.697	0.843	0.737	0.998	0.968	0.931	1.0	0.952
Compound_48	NC(=O)N1c2ccccc2C=Cc2c1cccc2	0.566	0.542	0.099	0.289	0.684	0.648	0.992	0.007	0.845	0.593	0.087
Compound_49	O=c1oc(=O)c2c([nH]1)cccc2	0.476	0.511	0.896	0.485	0.443	0.306	0.842	0.363	0.819	0.142	0.447
Compound_50	Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.82	0.677	0.953	0.715	0.5	0.964	0.995	0.926	0.819	0.817	0.994