Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	COC(=O)c1ccccc1C(=O)OC	0.923	0.081	0.679	0.51	0.036	0.021	0.994	0.006	0.731	0.218	0.229
Compound_2	CCOC(=O)c1ccccc1C(=O)OCC	0.806	0.093	0.968	0.586	0.053	0.034	0.994	0.01	0.442	0.797	0.584
Compound_3	CCCCOC(=O)c1ccccc1C(=O)O	0.679	0.109	0.266	0.412	0.105	0.066	0.984	0.057	0.578	0.132	0.552
Compound_4	CCCCOC(=O)c1ccccc1C(=O)OC	0.882	0.133	0.263	0.563	0.068	0.039	0.974	0.019	0.702	0.197	0.572
Compound_5	CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C	0.801	0.087	0.697	0.572	0.103	0.048	0.988	0.006	0.491	0.722	0.363
Compound_6	O=C(c1ccccc1C(=O)OC(C)(C)C)OC(C)(C)C	0.856	0.15	0.344	0.572	0.117	0.049	0.985	0.104	0.62	0.692	0.555
Compound_7	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.839	0.142	0.097	0.287	0.2	0.093	0.982	0.017	0.525	0.765	0.763
Compound_8	CCCCOC(=O)c1ccccc1C(=O)OCCCC	0.882	0.106	0.591	0.604	0.099	0.049	0.988	0.054	0.701	0.745	0.602
Compound_9	CCCCC(COC(=O)c1ccccc1C(=O)OC)CC	0.952	0.136	0.086	0.497	0.103	0.048	0.988	0.006	0.618	0.921	0.79
Compound_10	CCCCC(CCCOC(=O)c1ccccc1C(=O)O)C	0.87	0.15	0.182	0.37	0.2	0.093	0.982	0.047	0.547	0.784	0.833
Compound_11	CCCCC(COC(=O)c1ccccc1C(=O)OCC)CC	0.952	0.113	0.531	0.535	0.103	0.048	0.988	0.014	0.438	0.992	0.769
Compound_12	CCCCCOC(=O)c1ccccc1C(=O)OCCCCC	0.921	0.112	0.591	0.596	0.099	0.049	0.988	0.27	0.706	0.951	0.734
Compound_13	CCCCC(COC(=O)c1ccccc1C(=O)OCCC)CC	0.952	0.12	0.393	0.558	0.103	0.048	0.988	0.018	0.435	0.993	0.832
Compound_14	CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC	0.935	0.108	0.591	0.596	0.099	0.049	0.988	0.27	0.719	0.995	0.825
Compound_15	CCCCOC(=O)c1ccccc1C(=O)OCC(CCCC)CC	0.952	0.12	0.275	0.564	0.103	0.048	0.988	0.019	0.661	0.993	0.832
Compound_16	CCCCCOC(=O)c1ccccc1C(=O)OCC(CCCC)CC	0.952	0.12	0.275	0.564	0.093	0.105	0.993	0.019	0.677	0.993	0.832
Compound_17	CCCCCCOC(=O)c1ccccc1C(=O)OCC(CCCC)CC	0.952	0.12	0.275	0.564	0.093	0.105	0.993	0.019	0.701	0.993	0.832
Compound_18	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)C	0.952	0.113	0.275	0.498	0.093	0.105	0.993	0.016	0.573	0.992	0.769
Compound_19	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.952	0.113	0.275	0.535	0.093	0.105	0.993	0.016	0.593	0.992	0.769
Compound_20	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	0.964	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_21	CC(CC(CCOC(=O)c1ccccc1C(=O)OCCC(CC(C)(C)C)C)C)C	0.935	0.138	0.928	0.467	0.18	0.188	0.989	0.023	0.511	0.864	0.553
Compound_22	CCCCCCCC(OC(=O)c1ccccc1C(=O)OC(CCCCCCC)C)C	0.966	0.182	0.309	0.604	0.087	0.1	0.996	0.586	0.589	0.993	0.747
Compound_23	C[C@H](CC(C)(C)C)CCOC(=O)c1ccccc1C(=O)OCC[C@H](CC(C)(C)C)C	0.925	0.138	0.416	0.473	0.18	0.188	0.989	0.017	0.541	0.864	0.553
Compound_24	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC	0.966	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_25	CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C	0.966	0.085	0.925	0.581	0.104	0.098	0.987	0.038	0.354	0.979	0.645
Compound_26	COC(=O)c1ccccc1C(=O)O	0.695	0.076	0.256	0.426	0.076	0.043	0.987	0.01	0.614	0.09	0.179
Compound_27	CCCCCCOC(=O)c1ccc(cc1C(=O)OCC(CCCC)CC)CCCCCC	0.949	0.12	0.601	0.567	0.091	0.186	0.908	0.027	0.656	0.993	0.832
Compound_28	C=CCOC(=O)c1ccccc1C(=O)O	0.691	0.233	0.78	0.492	0.129	0.118	0.987	0.64	0.405	0.755	0.647
Compound_29	CCCCC(COC(=O)c1ccccc1C(=O)OCCCC=C)CC	0.955	0.166	0.295	0.693	0.103	0.048	0.988	0.501	0.443	1.0	0.837
Compound_30	CCCCC(COC(=O)c1ccccc1C(=O)OCC(=C)CCC)CC	0.961	0.399	0.515	0.521	0.093	0.105	0.993	0.251	0.642	1.0	0.92
Compound_31	CCCCC(=C)COC(=O)c1ccccc1C(=O)OCC(CCCC)CC	0.958	0.399	0.515	0.521	0.093	0.105	0.993	0.251	0.642	1.0	0.92
Compound_32	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)C=C)CC	0.935	0.18	0.25	0.672	0.093	0.105	0.993	0.44	0.62	1.0	0.809
Compound_33	CCCCC(COC(=O)c1ccccc1C(=O)OCCC1CCCCC1)CC	0.964	0.27	0.287	0.54	0.203	0.315	0.989	0.022	0.713	0.996	0.856
Compound_34	CC(CC(C)(C)C)CCOC(=O)c1ccccc1C(=O)OCCC(=C)CC(C)(C)C	0.914	0.297	0.277	0.515	0.18	0.188	0.989	0.738	0.588	0.997	0.819
Compound_35	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCCO)CC)CC	0.901	0.187	0.105	0.521	0.121	0.143	0.978	0.01	0.261	0.693	0.405
Compound_36	CCC(COC(=O)c1ccccc1C(=O)OCC(CCC(O)C)CC)CCC(O)C	0.849	0.222	0.047	0.508	0.193	0.113	0.991	0.011	0.298	0.675	0.422
Compound_37	CCCCC(COC(=O)c1cc(O)ccc1C(=O)OCC(CCCCCO)CC)CC	0.961	0.361	0.531	0.581	0.91	0.731	0.98	0.03	0.298	0.897	0.599
Compound_38	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(O)C	0.919	0.181	0.157	0.566	0.092	0.147	0.974	0.088	0.511	0.932	0.337
Compound_39	CC(COC(=O)c1ccccc1C(=O)O)O	0.414	0.099	0.185	0.381	0.09	0.051	0.887	0.021	0.419	0.199	0.176
Compound_40	OCCOC(=O)c1ccccc1C(=O)OCCO	0.598	0.097	0.633	0.511	0.082	0.085	0.941	0.018	0.318	0.557	0.535
Compound_41	CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C	0.703	0.244	0.022	0.312	0.28	0.071	0.993	0.026	0.385	0.177	0.365
Compound_42	CCCCC(COC(=O)c1ccccc1C(=O)OCCCCO)CC	0.902	0.156	0.105	0.536	0.107	0.075	0.983	0.011	0.319	0.774	0.29
Compound_43	OCCCCCOC(=O)c1ccccc1C(=O)OCC(CCCC)CC	0.875	0.156	0.105	0.536	0.185	0.14	0.978	0.011	0.328	0.774	0.29
Compound_44	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CO)CO	0.799	0.177	0.065	0.518	0.075	0.13	0.97	0.017	0.445	0.442	0.332
Compound_45	CCCCC(COC(=O)c1ccccc1C(=O)OCCCCCCO)CC	0.894	0.156	0.105	0.536	0.099	0.159	0.978	0.011	0.332	0.774	0.29
Compound_46	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCO)CC)CC	0.849	0.194	0.105	0.521	0.185	0.14	0.978	0.01	0.262	0.802	0.486
Compound_47	CCCCC(COC(=O)c1ccccc1C(=O)O)C=O	0.666	0.148	0.097	0.309	0.169	0.091	0.843	0.05	0.471	0.604	0.701
Compound_48	CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(=O)C	0.947	0.142	0.552	0.581	0.078	0.156	0.995	0.125	0.481	0.996	0.835
Compound_49	CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C	0.75	0.174	0.079	0.308	0.21	0.152	0.992	0.015	0.43	0.381	0.744
Compound_50	CCCCC(COC(=O)c1ccccc1C(=O)OCC(=O)C)CC	0.956	0.139	0.282	0.54	0.024	0.059	0.994	0.008	0.438	0.993	0.836
Compound_51	CCCCC(COC(=O)c1ccccc1C(=O)OCC(=O)C)CC	0.956	0.139	0.282	0.54	0.024	0.059	0.994	0.008	0.438	0.993	0.836
Compound_52	CCCCC(COC(=O)c1ccccc1C(=O)OCCCCC(=O)C)CC	0.924	0.137	0.231	0.535	0.099	0.169	0.997	0.011	0.477	0.996	0.846
Compound_53	CCCCCCCCCOC(=O)c1ccccc1C(=O)OCC1CCCO1	0.922	0.277	0.348	0.608	0.205	0.102	0.998	0.251	0.741	0.996	0.889
Compound_54	CCCCC(COC(=O)c1ccccc1C(=O)OCC(C(=O)C)CCC)CC	0.893	0.164	0.287	0.512	0.12	0.132	0.997	0.009	0.488	0.973	0.811
Compound_55	CCC(CCC(=O)C)COC(=O)c1ccccc1C(=O)OCC(CCC(=O)C)CC	0.91	0.132	0.231	0.522	0.099	0.169	0.997	0.003	0.441	0.959	0.761
Compound_56	CCCCC(COC(=O)c1ccccc1C(=O)OCC(C(=O)C)CCCC)CC	0.889	0.164	0.287	0.512	0.12	0.132	0.997	0.009	0.434	0.973	0.811
Compound_57	CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC	0.883	0.111	0.505	0.718	0.034	0.035	0.992	0.467	0.479	0.996	0.753
Compound_58	CCCCC(COC(=O)c1ccccc1C(=O)OCCCC(=O)O)CC	0.846	0.166	0.233	0.266	0.143	0.073	0.984	0.027	0.498	0.91	0.332
Compound_59	CCCCC(COC(=O)c1ccccc1C(=O)OCCCCCC(=O)O)CC	0.817	0.166	0.164	0.244	0.131	0.155	0.99	0.033	0.275	0.91	0.332
Compound_60	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC(=O)O)CC)CC	0.826	0.187	0.164	0.223	0.16	0.139	0.99	0.029	0.286	0.887	0.423
Compound_61	CCCCC(COC(=O)c1ccccc1C(=O)OCC(C(=O)C)CCC=C)CC	0.9	0.256	0.307	0.64	0.12	0.132	0.997	0.287	0.334	1.0	0.82
Compound_62	C=CCOC(=O)c1cc(OCCCCCCCC)ccc1C(=O)OCC=C	0.89	0.367	0.971	0.706	0.722	0.138	0.989	0.97	0.427	1.0	0.805
Compound_63	C=COCCCCCOC(=O)c1ccccc1C(=O)OCCCCCOC=C	0.904	0.247	0.446	0.519	0.209	0.081	0.991	0.305	0.62	1.0	0.858
Compound_64	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC(=O)O)CC)CO	0.753	0.236	0.054	0.198	0.093	0.118	0.97	0.02	0.247	0.469	0.317
Compound_65	CCCCC(COC(=O)c1ccccc1C(=O)OCC(C(=O)C)CCC=C)CC	0.9	0.256	0.307	0.64	0.12	0.132	0.997	0.287	0.334	1.0	0.82
Compound_66	CCCCC(COC(=O)c1cc(O)ccc1C(=O)OCC(CCCCCO)CC)CC	0.961	0.361	0.531	0.581	0.91	0.731	0.98	0.03	0.298	0.897	0.599
Compound_67	O=C(c1ccccc1C(=O)OCCCCCCOC(=O)C(=C)C)OCCCCCCOC(=O)C(=C)C	0.967	0.397	0.33	0.718	0.111	0.151	0.993	0.749	0.712	0.999	0.898
Compound_68	CCCCCOC(=O)c1cc(ccc1C(=O)OCCCCC)C(=O)OCCCCC	0.884	0.124	0.879	0.627	0.112	0.218	0.977	0.251	0.636	0.933	0.745
Compound_69	CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1	0.845	0.433	0.619	0.614	0.281	0.237	0.988	0.095	0.671	0.841	0.807
Compound_70	CCCCCC(OC(=O)c1ccccc1C(=O)OCc1ccccc1)CC	0.935	0.523	0.312	0.56	0.274	0.22	0.99	0.596	0.541	0.962	0.928
Compound_71	C=CCCC(COC(=O)c1ccccc1C(=O)O)CC	0.839	0.233	0.124	0.427	0.2	0.093	0.982	0.371	0.369	0.941	0.777
Compound_72	CC(OC(=O)c1ccccc1C(=O)O)O	0.388	0.091	0.195	0.42	0.052	0.261	0.942	0.063	0.521	0.034	0.243
Compound_73	CC(COC(=O)c1ccccc1C(=O)O)CCCCC(C(=O)O)C	0.749	0.145	0.105	0.342	0.221	0.09	0.968	0.087	0.299	0.254	0.273
Compound_74	CCCCCCCCOC(=O)c1ccccc1C(=O)OCC(F)(F)F	0.962	0.184	0.591	0.694	0.342	0.087	0.958	0.955	0.392	0.997	0.823
Compound_75	CCCCC(COC(=O)c1ccccc1C(=O)O)C	0.799	0.142	0.097	0.315	0.144	0.075	0.843	0.048	0.511	0.765	0.763
Compound_76	CCCOC(=O)c1ccccc1C(=O)O	0.534	0.105	0.382	0.403	0.105	0.066	0.984	0.041	0.43	0.136	0.435
Compound_77	C=COC(=O)c1ccccc1C(=O)O	0.649	0.222	0.251	0.455	0.101	0.101	0.988	0.226	0.589	0.784	0.5
Compound_78	OC(=O)c1ccccc1C(=O)O	0.67	0.08	0.448	0.337	0.08	0.028	0.968	0.074	0.587	0.083	0.393