Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCOP(=O)(OCC)O	0.922	0.076	0.22	0.303	0.044	0.028	0.699	0.005	0.411	0.76	0.358
Compound_2	CCOP(=O)(OCC)OCC	0.934	0.124	0.892	0.529	0.037	0.026	0.922	0.221	0.396	0.996	0.618
Compound_3	CCCCOP(=O)(OCCCC)O	0.784	0.041	0.036	0.396	0.093	0.047	0.939	0.006	0.555	0.66	0.377
Compound_4	O=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.628	0.348	0.681	0.52	0.927	0.098	1.0	0.197	0.957	0.999	0.783
Compound_5	CCCCC(COP(=O)(OCC(CCCC)CC)O)CC	0.916	0.064	0.019	0.354	0.11	0.1	0.996	0.012	0.497	0.932	0.485
Compound_6	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.952	0.658	0.923	0.652	0.887	0.089	0.999	0.684	0.845	0.955	0.75
Compound_7	CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC	0.936	0.056	0.171	0.55	0.093	0.088	0.999	0.141	0.511	0.998	0.681
Compound_8	CCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.963	0.978	0.723
Compound_9	CCCCCCCCCCCCS(=O)(=O)O	0.828	0.053	0.066	0.255	0.205	0.195	0.982	0.237	0.273	0.926	0.248
Compound_10	CCCCCCCCCCCCOS(=O)(=O)O	0.976	0.019	0.048	0.28	0.182	0.238	0.949	0.592	0.061	0.845	0.317
Compound_11	CCCCCCCCCCCCCCOS(=O)(=O)O	0.976	0.019	0.048	0.28	0.182	0.238	0.949	0.592	0.061	0.845	0.317
Compound_12	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C	0.945	0.528	0.339	0.384	0.916	0.669	0.662	0.611	0.09	0.989	0.142
Compound_13	CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO	0.257	0.153	0.019	0.312	0.073	0.472	0.045	0.259	0.302	0.212	0.069
Compound_14	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.756	0.218	0.572	0.269	0.931	0.31	0.989	0.171	0.44	0.925	0.11
Compound_15	Cc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.287	0.851	0.845	0.709	0.265	0.898	0.854	0.459	0.95	0.733	0.764
Compound_16	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.196	0.788	0.843	0.644	0.093	0.842	0.584	0.64	0.879	0.985	0.859
Compound_17	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_18	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)n1nc2c(n1)cccc2	0.644	0.775	0.825	0.689	0.492	0.887	0.754	0.789	0.851	0.955	0.792
Compound_19	Oc1ccc2c(c1N=Nc1ccccc1)cccc2	0.965	0.875	0.988	0.745	0.95	0.819	0.997	0.989	0.73	0.997	0.966
Compound_20	Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2	0.973	0.86	0.988	0.745	0.959	0.851	0.881	0.989	0.702	0.997	0.963
Compound_21	CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)ccc(c2)S(=O)(=O)N)CC	0.376	0.589	0.493	0.495	0.569	0.645	0.394	0.723	0.216	0.137	0.356
Compound_22	CCOC(=O)c1ccccc1c1c2cc(C)c(=NCC)cc2oc2c1cc(C)c(c2)NCC	0.819	0.95	0.999	0.876	0.949	0.898	0.805	0.967	0.401	0.948	0.918
Compound_23	CC(c1ccc2c(c1)nc(o2)c1ccc(s1)c1nc2c(o1)ccc(c2)C(C)(C)C)(C)C	0.226	0.668	0.983	0.645	0.737	0.656	0.908	0.796	0.872	0.963	0.802
Compound_24	O[C@H]([C@H](/C(=C(/c1ccccc1)\C)/O)O)[C@@H]([C@@H](/C(=C(/c1ccccc1)\C)/O)O)O	0.77	0.762	0.579	0.531	0.392	0.453	0.454	0.203	0.397	0.694	0.838
Compound_25	CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC	0.117	0.551	0.121	0.501	0.386	0.65	0.125	0.109	0.177	0.468	0.389
Compound_26	CCOC(=O)/C=C/C=C/C	0.984	0.033	0.86	0.741	0.704	0.351	1.0	0.994	0.827	0.99	0.938
Compound_27	O=C(c1ccccc1)/C=C/c1ccccc1	0.901	0.702	0.883	0.76	0.12	0.784	0.961	0.952	0.976	0.998	0.968
Compound_28	CCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_29	CCCCCC/C=C\CCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.484	0.018	0.989	0.101	0.075	0.98	0.253
Compound_30	CCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_31	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O	0.906	0.019	0.12	0.1	0.467	0.049	0.996	0.101	0.058	0.98	0.253
Compound_32	CCCCCCCC/C=C\CCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_33	CCCCCCCC/C=C\CCCCCCCC(=O)N	0.567	0.013	0.032	0.338	0.078	0.098	0.996	0.491	0.651	0.946	0.166
Compound_34	CCCCCCCCCCCCCCCCCC(=O)N	0.247	0.01	0.028	0.309	0.017	0.1	0.988	0.059	0.572	0.841	0.131
Compound_35	CCCCCCCC/C=C\CCCCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_36	CCCCCCCCCCCCCCCCCC(=O)NCCO	0.058	0.087	0.018	0.253	0.021	0.273	0.03	0.052	0.312	0.034	0.056
Compound_37	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_38	CCCCCCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_39	CCCCCCCCCCCCCCCCCCCCCC(=O)N	0.247	0.01	0.028	0.309	0.017	0.1	0.988	0.059	0.572	0.841	0.131
Compound_40	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O	0.975	0.363	0.074	0.675	0.455	0.243	0.804	0.386	0.067	0.992	0.129
Compound_41	CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.769	0.441	0.048	0.73	0.188	0.134	0.903	0.737	0.203	0.961	0.087
Compound_42	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@H]1OC[C@@H]([C@H]1O)O)O	0.944	0.5	0.095	0.726	0.568	0.157	0.948	0.962	0.272	0.988	0.117
Compound_43	CCCCCCCCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.118	0.034	0.995	0.13	0.077	0.901	0.169
Compound_44	N(Cc1ccccc1)Cc1ccccc1	0.352	0.52	0.441	0.391	0.023	0.515	0.162	0.151	0.454	0.857	0.317