Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.911	0.109	0.225	0.391	0.213	0.112	0.997	0.933	0.593	1.0	0.269
Compound_2	CCCCCCCCCCCCCC=CCS(=O)(=O)[O-]	0.911	0.109	0.225	0.391	0.275	0.165	0.997	0.933	0.593	1.0	0.269
Compound_3	CCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.655	0.09	0.047	0.442	0.055	0.12	0.634	0.817	0.403	0.744	0.277
Compound_4	CCCCCCCCCCCCCCCC(CS(=O)(=O)[O-])O	0.655	0.09	0.047	0.442	0.07	0.262	0.698	0.817	0.403	0.744	0.277
Compound_5	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.761	0.186	0.994	0.935	0.445	0.995	0.15
Compound_6	CCCCCCCCCCCCc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-]	0.887	0.49	0.489	0.474	0.682	0.499	0.903	0.976	0.527	0.997	0.254
Compound_7	CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.761	0.186	0.994	0.935	0.445	0.995	0.15
Compound_8	CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.767	0.122	0.993	0.935	0.445	0.995	0.15
Compound_9	CC(c1ccc(cc1)S(=O)(=O)[O-])C	0.677	0.306	0.345	0.382	0.69	0.072	0.964	0.587	0.255	0.967	0.079
Compound_10	CCCCCCCCC=CCCCCCCCCN(=O)(C)C	0.954	0.459	0.054	0.653	0.216	0.86	0.979	0.956	0.948	0.228	0.516
Compound_11	CCCCCCCCCCCCN(=O)(CCO)CCO	0.585	0.319	0.097	0.56	0.094	0.778	0.727	0.661	0.945	0.009	0.379
Compound_12	CCCCCCCCCCCCCCCCN(=O)(CCO)CCO	0.585	0.319	0.097	0.56	0.094	0.778	0.727	0.661	0.945	0.009	0.379
Compound_13	CCCCCCCCC=CCCCCCCCCN(=O)(CCO)CCO	0.775	0.322	0.105	0.585	0.285	0.877	0.68	0.892	0.946	0.023	0.393
Compound_14	CCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_15	CCCCCCCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_16	CCCCCCCCC=CCCCCCCCC(=O)NCCCN(=O)(C)C	0.576	0.255	0.008	0.402	0.053	0.445	0.507	0.753	0.424	0.048	0.459
Compound_17	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.46	0.278	0.003	0.323	0.096	0.044	0.361	0.857	0.393	0.03	0.177
Compound_18	CCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_19	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_20	CCCCCCCCC=CCCCCCCCC[N+](CCO)(CCO)C	0.769	0.317	0.011	0.554	0.211	0.795	0.68	0.706	0.938	0.009	0.231
Compound_21	CCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.957	0.005	0.231	0.775	0.11	0.037	0.997	0.076	0.328	0.982	0.887
Compound_22	CCCCCCCCC=CCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.988	0.087	0.434	0.742	0.43	0.097	0.998	0.884	0.41	1.0	0.927
Compound_23	CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)C	0.966	0.005	0.231	0.775	0.101	0.077	0.998	0.076	0.328	0.982	0.887
Compound_24	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCC=CCCCCCCCC)COC(=O)C	0.992	0.087	0.434	0.742	0.559	0.111	0.998	0.884	0.41	1.0	0.927
Compound_25	CCCCCCC(OC(=O)C)CCCCCCCCCCC(=O)OC(COC(=O)C)COC(=O)C	0.946	0.005	0.104	0.761	0.138	0.155	0.998	0.074	0.33	0.982	0.887
Compound_26	CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)CO	0.973	0.186	0.044	0.723	0.347	0.159	0.847	0.543	0.162	0.986	0.611
Compound_27	CCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.914	0.023	0.028	0.686	0.074	0.152	0.912	0.337	0.404	0.628	0.878
Compound_28	CCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.914	0.023	0.028	0.686	0.07	0.289	0.904	0.337	0.404	0.628	0.878
Compound_29	CCCCCCCCCCCCCCCCOC(=O)C(OC(=O)C(O)C)C	0.914	0.023	0.028	0.686	0.07	0.289	0.904	0.337	0.404	0.628	0.878
Compound_30	CCCCCCCCCCCCCC(=O)OCC(C1OCC(C1O)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_31	CCCCCCCCC=CCCCCCCCCC(=O)OCC(C1OCC(C1O)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_32	CCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.426	0.175	0.017	0.517	0.095	0.098	0.31	0.126	0.741	0.745	0.072
Compound_33	CCCCCCCCCCCOC1OC(CO)C(C(C1O)O)O	0.426	0.175	0.017	0.517	0.123	0.203	0.654	0.126	0.741	0.745	0.072
Compound_34	CCCCCCCCCCCCO[C@@H]1O[C@H](COCC(CS(=O)(=O)[O-])O)[C@H]([C@@H]([C@H]1O)O)O	0.444	0.471	0.021	0.471	0.104	0.442	0.299	0.258	0.42	0.899	0.327
Compound_35	CCCCCCCOC1OC(CO)C(C(C1O)O)O	0.295	0.175	0.017	0.517	0.077	0.087	0.222	0.126	0.676	0.745	0.072
Compound_36	CCCCCCCCCCOC1O[C@H](COCC(CS(=O)(=O)[O-])O)[C@H]([C@@H]([C@H]1O)O)O	0.444	0.471	0.021	0.471	0.104	0.442	0.299	0.258	0.42	0.899	0.327
Compound_37	CCCCCCCCC=CCCCCCCCCO	0.981	0.078	0.123	0.558	0.364	0.3	0.991	0.632	0.271	0.947	0.622
Compound_38	CCCCCCCCC=CCCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCC=CCCCCCCCC)C(C(C1OC(=O)CCCCCCCCC=CCCCCCCCC)O)O	0.972	0.459	0.081	0.744	0.694	0.17	0.772	0.803	0.411	0.959	0.516
Compound_39	CCCCCCCCC=CCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.958	0.257	0.049	0.702	0.521	0.107	0.687	0.715	0.413	0.903	0.082
Compound_40	CCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.808	0.202	0.031	0.719	0.159	0.085	0.748	0.385	0.353	0.8	0.064
Compound_41	CCCCCCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.808	0.202	0.031	0.719	0.159	0.085	0.748	0.385	0.353	0.8	0.064
Compound_42	CCCCCCCCCCCCCCCCCC(=O)OCC1OC(CO)C(C(C1O)O)O	0.808	0.202	0.031	0.719	0.159	0.085	0.748	0.385	0.353	0.8	0.064
Compound_43	CCCCCCCCCCCCCCCCCCC(=O)OCC1OC(COC(=O)CCCCCCCCCCCCCCCCC)C(C(C1OC(=O)CCCCCCCCCCCCCCCCCC)O)O	0.881	0.368	0.041	0.743	0.309	0.161	0.821	0.078	0.343	0.756	0.441
Compound_44	CCCCCCCCCOC	0.965	0.064	0.286	0.598	0.059	0.063	0.996	0.957	0.825	0.997	0.861
Compound_45	CCCCCCCCCCCOC	0.965	0.064	0.286	0.598	0.059	0.063	0.996	0.957	0.825	0.997	0.861
Compound_46	CCCCCCCC(=O)[O-]	0.946	0.017	0.103	0.367	0.049	0.006	0.999	0.777	0.24	0.998	0.915
Compound_47	CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]	0.964	0.022	0.061	0.342	0.392	0.01	0.998	0.811	0.131	1.0	0.94
Compound_48	CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)[O-])C	0.978	0.565	0.713	0.424	0.882	0.563	0.779	0.775	0.118	1.0	0.438
Compound_49	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.081	0.024	0.999	0.777	0.146	0.998	0.915
Compound_50	CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)CO	0.925	0.054	0.063	0.713	0.197	0.187	0.867	0.116	0.115	0.896	0.571
Compound_51	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_52	CCCCCCCC/C=C\CCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)CO	0.981	0.172	0.079	0.681	0.584	0.252	0.864	0.424	0.182	0.993	0.685
Compound_53	CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)CO	0.925	0.054	0.063	0.713	0.197	0.187	0.867	0.116	0.115	0.896	0.571
Compound_54	CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)CO	0.918	0.054	0.063	0.713	0.121	0.174	0.808	0.116	0.224	0.896	0.571
Compound_55	CCCCCCCCCCC(=O)N(CC(=O)O)C	0.341	0.082	0.019	0.155	0.058	0.034	0.017	0.049	0.272	0.038	0.167
Compound_56	CCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.341	0.082	0.019	0.155	0.077	0.057	0.909	0.049	0.272	0.038	0.167
Compound_57	CCCCCCCCCCC(=O)NCCCN(=O)(C)C	0.294	0.265	0.006	0.319	0.015	0.301	0.452	0.1	0.416	0.013	0.44
Compound_58	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.871	0.283	0.131	0.804	0.463	0.108	0.695	0.905	0.093	0.43	0.453
Compound_59	CCCCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.089	0.143	0.008	0.128	0.096	0.308	0.777	0.456	0.283	0.521	0.577
Compound_60	CCCCCCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]	0.089	0.143	0.008	0.128	0.096	0.308	0.777	0.456	0.283	0.521	0.577
Compound_61	CCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.735	0.19	0.017	0.109	0.048	0.077	0.011	0.296	0.403	0.823	0.816