Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)C(C(OC(F)(F)F)(F)F)(F)F	0.727	0.021	0.128	0.501	0.451	0.028	0.449	0.998	0.347	0.463	0.933
Compound_2	Nc1ccc(cc1)c1ccc(cc1)F	0.968	0.628	0.956	0.86	0.536	0.898	0.999	0.714	0.956	0.986	0.545
Compound_3	Oc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.944	0.378	0.705	0.71	0.897	0.427	0.984	0.999	0.484	0.271	0.959
Compound_4	OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F	0.648	0.544	0.143	0.162	0.809	0.423	0.99	0.943	0.579	0.042	0.947
Compound_5	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.848	0.699	0.77	0.628	0.888	0.824	0.974	0.99	0.414	0.982	0.809
Compound_6	CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C	0.952	0.797	0.991	0.81	0.921	0.725	0.993	0.942	0.362	0.822	0.932
Compound_7	CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.952	0.848	0.921	0.787	0.961	0.739	0.995	0.994	0.511	0.99	0.956
Compound_8	FC(c1ccc(cc1)Cl)(F)F	0.951	0.174	0.744	0.698	0.371	0.188	0.998	0.965	0.665	0.997	0.218
Compound_9	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F	0.718	0.073	0.154	0.579	0.408	0.104	0.666	0.93	0.259	0.293	0.901
Compound_10	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.238	0.241	0.345	0.685	0.328	0.192	0.859	0.282	0.302	0.014	0.621
Compound_11	OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.964	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_12	O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.933	0.74	0.384	0.711	0.095	0.898	0.743	0.997	0.381	0.061	0.319
Compound_13	Clc1cc(cnc1Nc1c(cc(c(c1N(=O)=O)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F	0.781	0.645	0.947	0.813	0.757	0.538	0.983	0.971	0.525	0.931	0.918
Compound_14	CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)Cc1c(F)cccc1Cl	0.921	0.643	0.252	0.805	0.944	0.362	0.997	0.978	0.606	0.993	0.936
Compound_15	C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.765	0.673	0.909	0.703	0.227	0.655	0.981	0.987	0.427	0.472	0.268
Compound_16	N#C[C@@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_17	Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F	0.46	0.475	0.587	0.518	0.381	0.677	0.042	0.96	0.614	0.115	0.69
Compound_18	FC(C(C(C(C(=O)N)(F)F)(F)F)(F)F)F	0.168	0.079	0.157	0.376	0.09	0.039	0.748	0.402	0.437	0.463	0.725
Compound_19	O=N(=O)c1cc(ccc1Oc1ccc(cc1)N(=O)=O)C(F)(F)F	0.921	0.868	0.876	0.809	0.964	0.913	0.996	0.97	0.374	0.872	0.97
Compound_20	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F	0.715	0.538	0.965	0.66	0.96	0.57	0.776	0.967	0.348	0.521	0.695
Compound_21	FC(C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)O)(F)F	0.973	0.717	0.8	0.726	0.991	0.955	0.996	0.919	0.614	0.848	0.983
Compound_22	FC(C(C(F)(F)F)(O)O)C(C(F)(F)F)(O)O	0.801	0.134	0.195	0.627	0.334	0.048	0.174	0.363	0.158	0.322	0.818
Compound_23	OC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.886	0.025	0.408	0.602	0.446	0.04	0.99	0.461	0.028	0.043	0.416
Compound_24	OCC(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F	0.705	0.081	0.232	0.586	0.389	0.196	0.15	0.907	0.374	0.46	0.96
Compound_25	NC(=N)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.432	0.168	0.75	0.629	0.367	0.278	0.504	0.349	0.194	0.191	0.401
Compound_26	FC(C(C([Si](C)(C)C)(F)F)(F)F)(F)F	0.933	0.205	0.755	0.654	0.337	0.337	0.986	0.617	0.245	0.995	0.436
Compound_27	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.703	0.114	0.182	0.782	0.225	0.216	0.96	0.839	0.335	0.889	0.205
Compound_28	OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.91	0.28	0.334	0.722	0.314	0.181	0.848	0.895	0.444	0.458	0.69
Compound_29	COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F	0.681	0.218	0.038	0.348	0.419	0.098	0.166	0.146	0.408	0.139	0.464
Compound_30	O=N(=O)c1cc(c(c(c1Cl)N(=O)=O)Cl)C(F)(F)F	0.993	0.676	0.513	0.71	0.582	0.346	0.991	0.999	0.543	0.988	0.926
Compound_31	CC[C@@H]1C[C@H](N(C(=O)C)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2c(N1C(=O)OC(C)C)ccc(c2)C(F)(F)F	0.855	0.724	0.189	0.653	0.849	0.785	0.769	0.976	0.463	0.174	0.411
Compound_32	Clc1csc(c1)C(=O)c1c2cc(F)c(cc2n(c1O)C(=O)N)Cl	0.725	0.445	0.929	0.369	0.866	0.627	0.981	0.823	0.61	0.055	0.953
Compound_33	FC(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.969	0.198	0.745	0.662	0.481	0.242	0.983	0.182	0.252	1.0	0.836
Compound_34	COC(C(F)(F)F)(C(F)F)F	0.908	0.11	0.046	0.548	0.18	0.025	0.991	0.927	0.25	0.993	0.943
Compound_35	FC(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.905	0.021	0.377	0.623	0.382	0.051	0.99	0.98	0.237	0.294	0.916
Compound_36	O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)c1cccs1	0.8	0.443	0.68	0.63	0.587	0.877	0.987	0.945	0.41	0.406	0.892
Compound_37	C=CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.981	0.085	0.865	0.71	0.766	0.101	1.0	0.888	0.245	1.0	0.902
Compound_38	CC(C(C(F)(F)F)(F)F)O	0.768	0.092	0.217	0.625	0.224	0.026	0.916	0.077	0.126	0.931	0.912
Compound_39	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F	0.745	0.053	0.481	0.579	0.318	0.068	0.851	0.93	0.256	0.317	0.92
Compound_40	FC(C(COCC1OC1)(F)F)F	0.88	0.243	0.787	0.628	0.698	0.183	0.774	0.866	0.594	0.986	0.968
Compound_41	O=C(N(C)C)Nc1cccc(c1)C(F)(F)F	0.892	0.426	0.865	0.766	0.267	0.098	0.777	0.989	0.52	0.048	0.231
Compound_42	O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1	0.176	0.35	0.089	0.33	0.093	0.263	0.03	0.084	0.425	0.011	0.661
Compound_43	Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.952	0.516	0.272	0.161	0.411	0.666	0.282	0.041	0.95	0.026	0.065
Compound_44	Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1	0.551	0.49	0.364	0.737	0.458	0.563	0.874	0.554	0.393	0.011	0.642
Compound_45	CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.716	0.336	0.973	0.829	0.85	0.098	0.991	0.885	0.31	0.158	0.731
Compound_46	CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F	0.354	0.524	0.909	0.563	0.771	0.389	0.608	0.578	0.95	0.006	0.25
Compound_47	OC(=O)CF	0.534	0.024	0.051	0.438	0.075	0.018	0.299	0.998	0.476	0.035	0.666
Compound_48	O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1	0.536	0.655	0.972	0.797	0.806	0.76	0.992	0.886	0.049	0.331	0.11
Compound_49	NC(=O)C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F	0.272	0.092	0.084	0.404	0.183	0.027	0.536	0.402	0.407	0.096	0.833
Compound_50	OC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_51	OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.877	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_52	CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C	0.741	0.555	0.22	0.736	0.836	0.09	0.995	0.994	0.667	0.857	0.869
Compound_53	O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.952	0.628	0.189	0.612	0.091	0.898	0.482	0.962	0.419	0.048	0.468
Compound_54	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC	0.715	0.355	0.05	0.426	0.579	0.566	0.634	0.063	0.342	0.324	0.457
Compound_55	O=C(Nc1cc(F)cc(c1)F)NN=C(c1ncccc1C(=O)O)C	0.337	0.599	0.918	0.605	0.312	0.401	0.694	0.222	0.413	0.027	0.228
Compound_56	CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C	0.35	0.54	0.956	0.682	0.587	0.717	0.409	0.775	0.477	0.708	0.631
Compound_57	CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C	0.521	0.734	0.946	0.71	0.726	0.098	0.901	0.957	0.44	0.56	0.738
Compound_58	Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F	0.6	0.801	0.866	0.924	0.491	0.898	0.751	0.637	0.95	0.284	0.858
Compound_59	OCC(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.062	0.368	0.651	0.347	0.144	0.984	0.311	0.085	0.7	0.959
Compound_60	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.746	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205
Compound_61	OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.877	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_62	C=CC(=O)OCC(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F	0.994	0.129	0.821	0.767	0.95	0.746	0.998	0.999	0.734	0.998	0.968
Compound_63	FC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F	0.95	0.18	0.596	0.616	0.237	0.033	0.982	0.878	0.573	0.997	0.547
Compound_64	OC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.666	0.031	0.624	0.506	0.299	0.074	0.043	0.994	0.356	0.251	0.899
Compound_65	NC(C(F)(F)F)(C(F)(F)F)O	0.272	0.171	0.14	0.559	0.356	0.069	0.467	0.031	0.171	0.056	0.696
Compound_66	ClC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.965	0.078	0.758	0.69	0.363	0.167	0.997	0.872	0.197	0.999	0.988
Compound_67	ClCc1c(F)cccc1Cl	0.97	0.114	0.818	0.67	0.436	0.153	0.995	0.977	0.943	0.998	0.399
Compound_68	Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F	0.333	0.504	0.664	0.749	0.892	0.934	0.997	0.993	0.345	0.958	0.918
Compound_69	COC(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F	0.796	0.198	0.415	0.678	0.58	0.075	0.963	0.942	0.339	0.942	0.821
Compound_70	FCOC(C(F)(F)F)C(F)(F)F	0.887	0.062	0.755	0.591	0.202	0.063	0.982	0.971	0.198	0.997	0.964
Compound_71	Fc1ccc(cc1)C1(O)CCN(CC1)[C@@H]1COc2c([C@@H]1O)ccc(c2)O	0.151	0.842	0.744	0.668	0.71	0.513	0.003	0.104	0.916	0.758	0.713
Compound_72	ON=C(C1(CCOCC1)NS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)F)O	0.221	0.535	0.01	0.245	0.276	0.841	0.222	0.024	0.397	0.519	0.5
Compound_73	CN1CCN([C@H](C1)c1ccc(cc1)F)Cc1occ(c1)c1ccc2c(c1)oc(=O)[nH]2	0.142	0.695	0.676	0.337	0.543	0.537	0.817	0.579	0.622	0.031	0.088
Compound_74	Fc1ccc2c(c1)c(C)cn2NC(=O)c1cnc(nc1C)c1ccccn1	0.452	0.717	0.963	0.498	0.685	0.622	0.975	0.855	0.623	0.029	0.159
Compound_75	OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_76	Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F	0.195	0.608	0.004	0.102	0.863	0.105	0.514	0.186	0.452	0.001	0.167
Compound_77	C[N+](CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C)C	0.118	0.393	0.037	0.609	0.212	0.145	0.154	0.521	0.309	0.349	0.586
Compound_78	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.746	0.114	0.182	0.782	0.232	0.219	0.975	0.839	0.335	0.889	0.205
Compound_79	OC(=O)C(C(C(C(=O)O)(F)F)(F)F)(F)F	0.555	0.048	0.218	0.578	0.334	0.035	0.383	0.987	0.357	0.071	0.92
Compound_80	OC(=O)C(C(C(=O)O)(F)F)(F)F	0.62	0.048	0.047	0.499	0.415	0.044	0.496	0.998	0.563	0.071	0.92
Compound_81	OC(=O)C(C(F)(F)F)(F)F	0.672	0.014	0.047	0.543	0.458	0.028	0.93	0.982	0.193	0.354	0.918
Compound_82	OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.949	0.064	0.18	0.615	0.543	0.17	0.974	0.011	0.051	0.056	0.639
Compound_83	O=C(C(F)(F)F)CC(=O)C(C(F)(F)F)(F)F	0.941	0.068	0.595	0.653	0.227	0.213	0.944	0.89	0.411	0.747	0.979
Compound_84	FC(C(C(I)(F)F)(F)F)(C(C(C(I)(F)F)(F)F)(F)F)F	0.972	0.198	0.745	0.662	0.657	0.329	0.983	0.182	0.556	1.0	0.836
Compound_85	COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2	0.053	0.152	0.689	0.127	0.736	0.85	0.98	0.125	0.95	0.787	0.696
Compound_86	O=C(C1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1	0.857	0.451	0.773	0.804	0.901	0.399	0.976	0.922	0.367	0.983	0.911
Compound_87	O=C(c1cnoc1C)Nc1ccc(cc1)C(F)(F)F	0.505	0.782	0.976	0.821	0.522	0.627	0.043	0.935	0.95	0.041	0.733
Compound_88	Nc1cccc(c1)C(F)(F)F	0.911	0.297	0.922	0.62	0.132	0.075	0.982	0.872	0.561	0.926	0.5
Compound_89	FC(C(C(C(C(S(=O)(=O)Cl)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.854	0.149	0.786	0.698	0.329	0.095	0.994	0.72	0.327	0.998	0.652
Compound_90	CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F	0.486	0.68	0.821	0.56	0.621	0.367	0.785	0.965	0.357	0.096	0.584
Compound_91	CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N	0.814	0.561	0.95	0.794	0.597	0.898	0.968	0.944	0.372	0.97	0.918
Compound_92	C=CCOC(=O)C(OC(=O)c1cc(ccc1Cl)n1c(=O)cc(n(c1=O)C)C(F)(F)F)(C)C	0.952	0.549	0.124	0.598	0.663	0.898	0.715	0.976	0.339	0.574	0.43
Compound_93	C=CC(C(C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.981	0.094	0.853	0.693	0.815	0.084	1.0	0.943	0.714	0.999	0.908
Compound_94	OC(=O)CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.886	0.025	0.408	0.602	0.446	0.04	0.99	0.461	0.028	0.043	0.416
Compound_95	CCN(c1c(cc(c(c1N(=O)=O)N)C(F)(F)F)N(=O)=O)CC	0.725	0.466	0.679	0.685	0.895	0.239	0.978	0.978	0.598	0.647	0.777
Compound_96	OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F	0.532	0.641	0.841	0.649	0.806	0.751	0.995	0.683	0.317	0.055	0.714
Compound_97	COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)OC(F)(F)F	0.084	0.482	0.148	0.41	0.443	0.334	0.118	0.078	0.339	0.001	0.521
Compound_98	N#Cc1cccc(c1c1cc(ccc1F)c1cnc2n1ncc(n2)C(O)(C)C)F	0.952	0.59	0.239	0.797	0.48	0.517	0.96	0.504	0.65	0.072	0.805
Compound_99	F[C@H](c1ccccc1F)CO[C@@H]1CC[C@H](CC1)Nc1ncnc2c1cn[nH]2	0.369	0.832	0.968	0.513	0.586	0.877	0.896	0.697	0.95	0.195	0.576
Compound_100	CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC	0.636	0.62	0.601	0.621	0.905	0.636	0.777	0.992	0.739	0.133	0.918
Compound_101	FC(Oc1cc(ccc1OC(F)F)N(c1cccc(c1)C(=O)O)Cc1cccnc1)F	0.321	0.569	0.577	0.497	0.835	0.098	0.989	0.448	0.26	0.029	0.768
Compound_102	Fc1ccc(c(c1)Cl)C(=O)NS(=O)(=O)/C=C/c1ccccc1	0.717	0.78	0.535	0.559	0.419	0.854	0.997	0.361	0.846	0.976	0.903
Compound_103	Fc1ccc(c(c1)Br)C(=O)NS(=O)(=O)/C=C/c1cccs1	0.763	0.592	0.745	0.526	0.416	0.898	0.983	0.829	0.95	0.961	0.918
Compound_104	OP(=O)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	0.983	0.089	0.117	0.514	0.444	0.126	0.973	0.109	0.097	0.068	0.353
Compound_105	OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.965	0.065	0.539	0.588	0.251	0.066	0.943	0.794	0.275	0.618	0.96
Compound_106	FC(C(C(F)(F)F)(F)F)(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F	0.65	0.099	0.328	0.401	0.344	0.06	0.952	0.629	0.181	0.993	0.86
Compound_107	FC(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.958	0.064	0.745	0.662	0.473	0.065	0.997	0.182	0.147	1.0	0.937
Compound_108	OC(C(C(F)(F)F)(F)F)O	0.796	0.069	0.363	0.578	0.24	0.144	0.915	0.073	0.14	0.283	0.924
Compound_109	ICCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.982	0.176	0.61	0.656	0.474	0.257	0.989	0.148	0.234	0.998	0.866
Compound_110	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_111	FC(C(C(C(COC(=O)C(=C)C)(F)F)(F)F)(F)F)F	0.984	0.112	0.667	0.684	0.808	0.096	0.997	0.986	0.607	0.997	0.971
Compound_112	ICCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.176	0.61	0.656	0.615	0.327	0.996	0.148	0.237	0.998	0.866
Compound_113	Oc1ccc(cc1)[C@@]1(C)CSc2c([C@H]1CCCCCCCCC(C(=O)O)CCCC(C(F)(F)F)(F)F)ccc(c2)O	0.631	0.634	0.205	0.548	0.984	0.803	0.833	0.566	0.082	0.858	0.507
Compound_114	Oc1ccc(cc1)C(=C(c1ccccc1)CC(F)(F)F)c1ccc(cc1)O	0.835	0.723	0.301	0.755	1.0	0.995	0.949	0.89	0.711	0.915	0.991
Compound_115	FCCOC(=O)C1Cc2cc(O)ccc2C2C1[C@@H]1CC[C@@H]([C@]1(CC2)C)O	0.957	0.827	0.026	0.792	0.992	0.986	0.013	0.705	0.142	0.996	0.573
Compound_116	FCCOC(=O)C1C[C@@H]([C@@]2([C@@H]1[C@@H]1CCc3c([C@H]1CC2)ccc(c3)O)C)O	0.938	0.827	0.016	0.738	0.997	0.977	0.024	0.485	0.084	0.996	0.573
Compound_117	Oc1ccc(cc1)c1nn2c(c1c1ccc(cc1)O)nc(cc2C(F)(F)F)C(F)(F)F	0.505	0.648	0.12	0.739	0.955	0.845	0.891	0.986	0.223	0.251	0.907
Compound_118	Oc1ccc(cc1)C1=C(c2ccc(cc2)F)c2c(C1)cc(cc2)O	0.684	0.655	0.571	0.619	0.994	0.856	0.981	0.891	0.761	0.988	0.989
Compound_119	Oc1cc(O)c2c(c1)ncn(c2=O)c1ccc(c(c1)F)O	0.773	0.753	0.522	0.5	0.925	0.615	0.94	0.884	0.736	0.223	0.418
Compound_120	Oc1ccc(c(c1)F)n1cnc2c(c1=O)c(O)cc(c2)O	0.872	0.64	0.763	0.568	0.925	0.615	0.94	0.837	0.865	0.364	0.597
Compound_121	Oc1cc(O)c2c(c1)ncn(c2=S)c1ccc(c(c1)F)O	0.788	0.566	0.522	0.5	0.922	0.722	0.947	0.884	0.908	0.7	0.762
Compound_122	Oc1ccc(cc1)c1nn2c(c1c1ccc(cc1)OCCN1CCCCC1)nc(cc2C(F)(F)F)C(F)(F)F	0.396	0.641	0.04	0.676	0.926	0.8	0.955	0.885	0.23	0.119	0.605
Compound_123	CN(CCOc1ccc(cc1)c1c(nn2c1nc(cc2C(F)(F)F)C(F)(F)F)c1ccc(cc1)O)C	0.406	0.743	0.026	0.685	0.928	0.811	0.974	0.844	0.155	0.005	0.54
Compound_124	Oc1ccc(cc1)c1[nH]c(nc1c1ccccc1)C(F)(F)F	0.528	0.55	0.903	0.619	0.843	0.794	0.704	0.872	0.511	0.021	0.941
Compound_125	CC[C@]12CCC(=O)C(=C2c2c(C1)c1c(F)n[nH]c1cc2)C(F)(F)F	0.807	0.816	0.951	0.674	0.886	0.709	0.914	0.981	0.502	0.62	0.8
Compound_126	CC[C@]12CCC(=O)C(=C2c2c(C1)c1nn[nH]c1cc2)C(F)(F)F	0.674	0.856	0.658	0.642	0.768	0.633	0.869	0.978	0.498	0.43	0.8
Compound_127	CC[C@@]12CCC(=O)C(=C1c1c(C2=O)c2cn[nH]c2cc1)C(F)(F)F	0.783	0.837	0.966	0.692	0.678	0.648	0.952	0.965	0.465	0.468	0.868
Compound_128	ON=Cc1ccc(c(c1O)Cl)c1ccc(c(c1)F)O	0.693	0.687	0.813	0.754	0.906	0.74	0.245	0.936	0.612	0.922	0.954
Compound_129	Oc1ccc(c(c1)F)[C@H]1CC[C@]2([C@H](C1)CC[C@@H]2O)C	0.964	0.868	0.022	0.638	0.975	0.984	0.054	0.726	0.188	0.996	0.804
Compound_130	Oc1ccc(cc1)[C@@]1(C)COc2c([C@H]1CCCCCCCCCNS(=O)(=O)NCCCC(C(F)(F)F)(F)F)ccc(c2)O	0.412	0.679	0.167	0.513	0.969	0.945	0.884	0.644	0.319	0.461	0.487
Compound_131	Oc1ccc(cc1)[C@@]1(C)CSc2c([C@H]1CCCCCCCCCNS(=O)(=O)CCCC(C(F)(F)F)(F)F)ccc(c2)O	0.499	0.671	0.167	0.521	0.877	0.786	0.417	0.626	0.391	0.224	0.376
Compound_132	Oc1ccc2c(c1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)CCCCCCCCC(C(=O)O)CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.942	0.832	0.15	0.628	0.999	0.988	0.162	0.719	0.045	0.991	0.586
Compound_133	ON=Cc1c(O)ccc(c1Cl)c1ccc(c(c1)F)O	0.843	0.687	0.883	0.756	0.918	0.833	0.066	0.944	0.72	0.922	0.954