Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(OCCCCCCCCCCCCOS(=O)(=O)[O-])(C)C	0.971	0.111	0.006	0.403	0.089	0.422	0.997	0.831	0.113	0.998	0.366
Compound_2	CC(CCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-])C	0.557	0.425	0.849	0.698	0.878	0.513	0.992	0.969	0.25	0.94	0.577
Compound_3	CC(CCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-])C	0.557	0.425	0.849	0.698	0.878	0.513	0.992	0.969	0.25	0.94	0.577
Compound_4	CC(CCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)([O-])[O-])C	0.557	0.425	0.849	0.698	0.69	0.385	0.992	0.969	0.25	0.94	0.577
Compound_5	CCCC(OS(=O)(=O)[O-])CC(C(F)(F)F)F	0.956	0.143	0.059	0.618	0.223	0.094	0.998	0.958	0.262	0.993	0.384
Compound_6	CCCC(C(C(C(F)(F)F)(F)F)(F)F)(OS(=O)(=O)[O-])F	0.957	0.162	0.305	0.677	0.173	0.065	0.998	0.844	0.129	0.964	0.372
Compound_7	CCCC(C(C(C(F)(F)F)(F)F)F)OS(=O)(=O)[O-]	0.966	0.162	0.152	0.638	0.223	0.094	0.998	0.839	0.254	0.964	0.372
Compound_8	CCCCC(=O)OCC(S(=O)(=O)[O-])COC(=O)CCCC	0.339	0.029	0.091	0.539	0.039	0.066	0.92	0.644	0.37	0.98	0.296
Compound_9	CCCCC(CC(=O)OCC(S(=O)(=O)[O-])COC(=O)CC(CCCC)CC)CC	0.494	0.02	0.069	0.515	0.033	0.095	0.934	0.843	0.358	0.98	0.299
Compound_10	CCCCC(COC(=O)CC(S(=O)(=O)[O-])C(=O)OCC(CCCC)CC)CC	0.521	0.02	0.127	0.52	0.063	0.208	0.938	0.809	0.419	0.98	0.299
Compound_11	CCCCCC(=O)OCC(S(=O)(=O)[O-])COC(=O)CCCCC	0.393	0.019	0.091	0.539	0.031	0.08	0.829	0.644	0.306	0.978	0.299
Compound_12	CCCCCC(OS(=O)(=O)[O-])CC(C(F)(F)F)F	0.994	0.128	0.065	0.629	0.312	0.14	0.999	0.982	0.103	0.997	0.393
Compound_13	CCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCC	0.849	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.332	0.993	0.147
Compound_14	CCCCCC(OS(=O)(=O)[O-])CCCCC	0.99	0.057	0.04	0.374	0.063	0.102	0.998	0.937	0.127	0.994	0.332
Compound_15	CCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCC	0.849	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.332	0.993	0.147
Compound_16	CCCCCC(CS(=O)(=O)[O-])OCO	0.662	0.078	0.018	0.432	0.043	0.275	0.455	0.677	0.368	0.891	0.337
Compound_17	CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(OS(=O)(=O)[O-])F	0.993	0.13	0.328	0.697	0.307	0.12	0.999	0.933	0.137	0.993	0.387
Compound_18	CCCCCC(C(C(C(F)(F)F)(F)F)F)OS(=O)(=O)[O-]	0.997	0.13	0.166	0.649	0.312	0.14	0.999	0.929	0.124	0.993	0.387
Compound_19	CCCCCCC(OS(=O)(=O)[O-])C	0.984	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.18	0.994	0.332
Compound_20	CCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.21	0.081	0.38	0.723	0.08	0.948	0.929	0.376	0.993	0.147
Compound_21	CCCCCCC(S(=O)(=O)[O-])CCCCC	0.897	0.089	0.238	0.409	0.076	0.098	0.996	0.976	0.44	0.998	0.24
Compound_22	CCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCC	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.376	0.993	0.147
Compound_23	CCCCCCC(OS(=O)(=O)[O-])CCCCCC	0.986	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.162	0.994	0.332
Compound_24	CCCCCCCC(OS(=O)(=O)[O-])CC(C(F)(F)F)F	0.99	0.128	0.065	0.629	0.361	0.118	0.998	0.982	0.138	0.997	0.393
Compound_25	CCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.21	0.081	0.38	0.764	0.098	0.944	0.929	0.386	0.993	0.147
Compound_26	CCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCC	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.447	0.993	0.147
Compound_27	CCCCCCCC(S(=O)(=O)[O-])CCCC	0.897	0.089	0.238	0.409	0.076	0.098	0.996	0.976	0.442	0.998	0.24
Compound_28	CCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCC	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.386	0.993	0.147
Compound_29	CCCCCCCC(OS(=O)(=O)[O-])CCCCCC	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.168	0.994	0.332
Compound_30	CCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.386	0.993	0.147
Compound_31	CCCCCCCC(COS(=O)(=O)[O-])CCCCCCC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.413	0.064	0.989	0.341
Compound_32	CCCCCCCC(OS(=O)(=O)[O-])CCCCCCC	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.168	0.994	0.332
Compound_33	CCCCCCCC(S(=O)(=O)[O-])CCCCCCC	0.897	0.089	0.238	0.409	0.076	0.098	0.996	0.976	0.442	0.998	0.24
Compound_34	CCCCCCCC(CS(=O)(=O)[O-])OCO	0.744	0.078	0.018	0.432	0.054	0.26	0.574	0.677	0.387	0.891	0.337
Compound_35	CCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(OS(=O)(=O)[O-])F	0.993	0.128	0.328	0.697	0.309	0.099	0.999	0.933	0.163	0.997	0.393
Compound_36	[O-]S(=O)(=O)O	0.851	0.106	0.254	0.265	0.646	0.252	0.196	0.711	0.484	0.859	0.197
Compound_37	CCCCCCCC(C(C(C(F)(F)F)(F)F)F)OS(=O)(=O)[O-]	0.994	0.128	0.166	0.649	0.361	0.118	0.998	0.929	0.148	0.997	0.393
Compound_38	CCCCCCCCC(=O)OCC(S(=O)(=O)[O-])COC(=O)CCCCCCCC	0.617	0.019	0.091	0.539	0.047	0.157	0.978	0.644	0.327	0.978	0.299
Compound_39	CCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_40	CCCCCCCCC(OS(=O)(=O)[O-])C	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.215	0.994	0.332
Compound_41	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.933	0.407	0.993	0.147
Compound_42	CCCCCCCCC(OS(=O)(=O)[O-])CC	0.985	0.057	0.034	0.361	0.063	0.076	0.998	0.893	0.199	0.994	0.332
Compound_43	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.21	0.081	0.38	0.764	0.098	0.944	0.929	0.423	0.993	0.147
Compound_44	CCCCCCCCC(S(=O)(=O)[O-])CCC	0.897	0.089	0.238	0.409	0.076	0.098	0.996	0.976	0.452	0.998	0.24
Compound_45	CCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCC	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.467	0.993	0.147
Compound_46	CCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCC	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.929	0.423	0.993	0.147
Compound_47	CCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_48	CCCCCCCCC(COS(=O)(=O)[O-])CCCCCC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.413	0.068	0.989	0.341
Compound_49	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_50	CCCCCCCCC(OS(=O)(=O)[O-])CCCCCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_51	CCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_52	CCCCCCCCC(OCCc1ccc(cc1)S(=O)(=O)[O-])O	0.545	0.196	0.078	0.448	0.573	0.384	0.841	0.846	0.271	0.602	0.237
Compound_53	CCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.933	0.407	0.993	0.147
Compound_54	CCCCCCCCCC(S(=O)(=O)[O-])CC	0.897	0.089	0.238	0.409	0.076	0.098	0.996	0.976	0.455	0.998	0.24
Compound_55	CCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.21	0.081	0.38	0.764	0.098	0.944	0.929	0.423	0.993	0.147
Compound_56	CCCCCCCCCC(OS(=O)(=O)[O-])CCCC	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.199	0.994	0.332
Compound_57	CCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_58	CCCCCCCCCC(COS(=O)(=O)[O-])CCCCC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.413	0.068	0.989	0.341
Compound_59	CCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_60	CCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_61	CCCCCCCCCC(OC(C)C)CCS(=O)(=O)[O-]	0.734	0.113	0.079	0.378	0.054	0.174	0.98	0.959	0.387	0.992	0.291
Compound_62	CCCCCCCCCC(OC(CCCCC)CC)CCS(=O)(=O)[O-]	0.765	0.083	0.067	0.383	0.068	0.356	0.983	0.941	0.362	0.994	0.289
Compound_63	CCCCCCCCCC(CCS(=O)(=O)[O-])OC	0.769	0.08	0.059	0.342	0.047	0.127	0.98	0.931	0.364	0.989	0.3
Compound_64	CCCCCCCCCC(CCS(=O)(=O)[O-])OCC	0.734	0.079	0.285	0.392	0.054	0.174	0.98	0.906	0.35	0.998	0.308
Compound_65	CCCCCCCCCC(CCS(=O)(=O)[O-])OCCC	0.725	0.079	0.13	0.407	0.054	0.174	0.98	0.919	0.37	0.998	0.308
Compound_66	CCCCCCCCCC(CCS(=O)(=O)[O-])OCCCC	0.765	0.079	0.069	0.404	0.068	0.356	0.983	0.924	0.379	0.998	0.308
Compound_67	CCCCCCCCCC(CCS(=O)(=O)[O-])OCCCCCC	0.765	0.079	0.069	0.404	0.068	0.356	0.983	0.924	0.384	0.998	0.308
Compound_68	CCCCCCCCCC(CCS(=O)(=O)[O-])OCCCCCCCC	0.765	0.079	0.069	0.404	0.068	0.356	0.983	0.924	0.368	0.998	0.308
Compound_69	CCCCCCCCCC(Oc1ccccc1)CCS(=O)(=O)[O-]	0.688	0.379	0.35	0.536	0.144	0.545	0.969	0.96	0.376	0.98	0.284
Compound_70	CCCCCCCCCC(CS(=O)(=O)[O-])OCO	0.744	0.078	0.018	0.432	0.054	0.26	0.574	0.677	0.398	0.891	0.337
Compound_71	CCCCCCCCCC(CCS(=O)(=O)[O-])O	0.664	0.08	0.047	0.423	0.055	0.12	0.634	0.867	0.352	0.869	0.279
Compound_72	CCCCCCCCCC(OS(=O)(=O)[O-])(OCC)OCC	0.931	0.025	0.575	0.427	0.084	0.198	0.994	0.92	0.23	0.989	0.59
Compound_73	CCCCCCCCCC(S(=O)(=O)[O-])OCC	0.881	0.04	0.617	0.479	0.056	0.196	0.96	0.928	0.391	0.946	0.296
Compound_74	CCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_75	CCCCCCCCCCC(S(=O)(=O)[O-])C	0.897	0.089	0.238	0.389	0.076	0.098	0.996	0.979	0.448	0.998	0.24
Compound_76	CCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.933	0.407	0.993	0.147
Compound_77	CCCCCCCCCCC(OS(=O)(=O)[O-])CCC	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.356	0.994	0.332
Compound_78	CCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.467	0.993	0.147
Compound_79	CCCCCCCCCCC(COS(=O)(=O)[O-])CCCC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.413	0.068	0.989	0.341
Compound_80	CCCCCCCCCCC(OS(=O)(=O)[O-])CCCC	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.199	0.994	0.332
Compound_81	CCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCCCCCCCCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_82	CCCCCCCCCCC(OS(=O)(=O)[O-])CCCCC	0.985	0.057	0.04	0.374	0.082	0.215	0.999	0.937	0.199	0.994	0.332
Compound_83	CCCCCCCCCCC(OC(=O)C)CCS(=O)(=O)[O-]	0.673	0.06	0.048	0.367	0.07	0.113	0.98	0.895	0.39	0.987	0.295
Compound_84	CCCCCCCCCCC(S(=O)(=O)[O-])CO	0.655	0.05	0.098	0.39	0.057	0.138	0.532	0.817	0.401	0.463	0.282
Compound_85	CCCCCCCCCCC(OCCc1ccc(cc1)S(=O)(=O)[O-])O	0.545	0.196	0.078	0.448	0.573	0.384	0.841	0.846	0.271	0.602	0.237
Compound_86	CCCCCCCCCCC=CS(=O)(=O)[O-]	0.969	0.11	0.347	0.464	0.285	0.111	1.0	0.98	0.718	1.0	0.253
Compound_87	CCCCCCCCCCCC(=O)N(CC(=O)[O-])C	0.643	0.142	0.068	0.349	0.043	0.024	0.038	0.329	0.233	0.423	0.464
Compound_88	CCCCCCCCCCCC(OS(=O)(=O)[O-])C	0.985	0.057	0.04	0.374	0.063	0.076	0.998	0.937	0.215	0.994	0.332
Compound_89	CCCCCCCCCCCC(OS(=O)(=O)[O-])CC	0.985	0.057	0.034	0.361	0.063	0.076	0.998	0.893	0.199	0.994	0.332
Compound_90	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CC	0.843	0.21	0.081	0.38	0.758	0.151	0.949	0.929	0.423	0.993	0.147
Compound_91	CCCCCCCCCCCC(COS(=O)(=O)[O-])CCC	0.985	0.012	0.066	0.379	0.078	0.194	0.996	0.413	0.203	0.989	0.341
Compound_92	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])CCC	0.843	0.21	0.137	0.38	0.758	0.151	0.949	0.929	0.467	0.993	0.147
Compound_93	CCCCCCCCCCCC(CCS(=O)(=O)[O-])COCCO	0.736	0.092	0.068	0.401	0.1	0.499	0.737	0.527	0.359	0.881	0.346
Compound_94	CCCCCCCCCCCC(CCS(=O)(=O)[O-])COCCOCCO	0.741	0.092	0.068	0.411	0.1	0.499	0.737	0.506	0.366	0.881	0.346
Compound_95	CCCCCCCCCCCC(N(C)C)CCS(=O)(=O)[O-]	0.699	0.417	0.019	0.202	0.05	0.733	0.909	0.873	0.369	0.779	0.374
Compound_96	CCCCCCCCCCCC(N1CCCCC1)CCS(=O)(=O)[O-]	0.683	0.371	0.034	0.139	0.032	0.676	0.372	0.348	0.38	0.418	0.401
Compound_97	CCCCCCCCCCCC(N1CCOCC1)CCS(=O)(=O)[O-]	0.351	0.406	0.044	0.148	0.047	0.6	0.354	0.427	0.377	0.794	0.461
Compound_98	CCCCCCCCCCCC(CCS(=O)(=O)[O-])NCCC	0.155	0.133	0.017	0.25	0.037	0.407	0.239	0.108	0.386	0.252	0.361
Compound_99	CCCCCCCCCCCC(CCS(=O)(=O)[O-])NCCCC	0.163	0.133	0.017	0.256	0.037	0.407	0.239	0.108	0.394	0.252	0.361
Compound_100	CCCCCCCCCCCC(Oc1cc(Cl)c(cc1Cl)Cl)CCS(=O)(=O)[O-]	0.632	0.534	0.406	0.619	0.545	0.573	0.965	0.988	0.414	0.995	0.312