Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Oc1ccc(cc1C(CC(C(F)(F)F)(Cc1cc2c([nH]1)cncc2)O)(C)C)c1cncnc1	0.264	0.663	0.939	0.634	0.813	0.686	0.987	0.601	0.282	0.031	0.536
Compound_2	CCN(C(=O)c1c(F)cccc1S(=O)(=O)C)CC(C(F)(F)F)(CNC(=O)c1c[nH]n(c1=N)c1ccc(cc1)F)O	0.51	0.468	0.021	0.453	0.715	0.66	0.128	0.256	0.404	0.387	0.415
Compound_3	CCN(C(=O)c1ccccc1C)CC(C(F)(F)F)(CNc1cccc2c1cnn2c1ccc(cc1)F)O	0.45	0.696	0.805	0.624	0.918	0.571	0.985	0.326	0.223	0.067	0.52
Compound_4	CCCCc1ccc(cc1)c1ccc2c(n1)Oc1c([C@@H]2C(C(=O)NC(=O)N)(C)C)cccc1F	0.666	0.623	0.131	0.471	0.836	0.902	0.753	0.743	0.477	0.374	0.431
Compound_5	C[C@H](NS(=O)(=O)c1c(C)cc(cc1C)C)CNc1cccc2c1cnn2c1cccnc1	0.226	0.584	0.583	0.335	0.655	0.631	0.977	0.042	0.323	0.18	0.451
Compound_6	COc1c(O)ccc2c1c1ccc3c(c1/C(=C/c1sccc1C(C(F)(F)F)O)/O2)C(=CC(N3)(C)C)C	0.677	0.608	0.917	0.53	0.878	0.643	0.761	0.831	0.405	0.6	0.974
Compound_7	COc1ccc(cc1c1ccc2c(c1)C(=CC(N2)(C)C)CSCCc1ccccc1)F	0.31	0.575	0.959	0.451	0.934	0.947	0.909	0.516	0.478	0.966	0.877
Compound_8	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)c1ccc(cc1)CSc1ccc(c(c1)Cl)O	0.637	0.91	0.008	0.904	0.804	0.676	0.877	0.103	0.327	0.838	0.606
Compound_9	O=C(NC(C)(C)C)NCC([C@H](c1ccc2c(c1)cnn2c1ccc(cc1)F)c1ccccc1)(C)C	0.275	0.642	0.681	0.316	0.891	0.768	0.993	0.264	0.285	0.109	0.445
Compound_10	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C(=O)c1nccc(c1)C(F)(F)F)S(=O)(=O)c1c[nH]nc1	0.644	0.689	0.015	0.512	0.772	0.653	0.977	0.891	0.406	0.033	0.473
Compound_11	COc1ccc(cc1C(CC(C(F)(F)F)(Cc1cccc(c1)C#N)O)(C)C)F	0.468	0.484	0.742	0.805	0.975	0.586	0.593	0.874	0.555	0.447	0.735
Compound_12	O=C1C=C[C@]2(C(=C(F)C[C@@H]3[C@]2(F)[C@@H](O)C[C@]2([C@H]3C[C@@H]3[C@]2(CN(C3)Cc2cccc(c2)Cl)C(=O)C)C)C1)C	0.676	0.86	0.753	0.501	0.759	0.905	0.948	0.525	0.215	0.811	0.17
Compound_13	CCS(=O)(=O)c1ncc2c(c1)cc([nH]2)C[C@@](C(F)(F)F)(CC(c1ccccc1C(=O)N)(C)C)O	0.456	0.619	0.646	0.43	0.575	0.677	0.981	0.613	0.298	0.878	0.295
Compound_14	Clc1ccc(cc1)NC(=O)c1cnc2c(c1Cl)c(C)nn2Cc1ccncc1	0.427	0.714	0.996	0.812	0.515	0.693	0.993	0.929	0.622	0.012	0.214
Compound_15	Fc1ccc(c(c1)C(C[C@](C(F)(F)F)(Cc1cc2c([nH]1)cncn2)O)(C)C)C	0.332	0.685	0.982	0.76	0.738	0.717	0.973	0.262	0.45	0.394	0.425
Compound_16	Clc1ccc(cc1)NC(=O)c1cnc2c(c1Cl)c(C)nn2Cc1cc(nn1C)C	0.461	0.714	0.931	0.813	0.533	0.684	0.95	0.94	0.648	0.254	0.16
Compound_17	COc1ccc(cc1C(CC(C(F)(F)F)(Cc1cc2c([nH]1)ccc(c2)C#N)O)(C)C)F	0.391	0.632	0.982	0.704	0.963	0.69	0.983	0.906	0.563	0.6	0.839
Compound_18	O[C@H]([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3c1ccc(cc1)F)Cc1ccc(cc1)C(C)(C)C	0.747	0.759	0.495	0.632	0.885	0.626	0.657	0.862	0.663	0.882	0.554
Compound_19	CC(C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)F)C	0.666	0.616	0.827	0.521	0.091	0.594	0.407	0.707	0.421	0.392	0.379
Compound_20	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)COCCN1CCCC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C	0.654	0.599	0.067	0.268	0.735	0.608	0.663	0.415	0.397	0.698	0.507
Compound_21	O=C(O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(c(c2F)c1cccc2c1[nH]cc2)F)Nc1cccc(c1)C(=O)C	0.713	0.552	0.929	0.53	0.684	0.667	0.996	0.561	0.389	0.555	0.663
Compound_22	COc1c(O)ccc2c1c1ccc3c(c1/C(=C/c1sccc1CNCC(F)(F)F)/O2)C(=CC(N3)(C)C)C	0.678	0.615	0.848	0.531	0.856	0.644	0.964	0.602	0.427	0.256	0.898
Compound_23	OCC(=O)[C@@]12O[C@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)c1ccc(cc1)Sc1ccc(c(c1)N)Cl	0.561	0.91	0.233	0.848	0.743	0.677	0.907	0.093	0.238	0.11	0.66
Compound_24	O=C1CCC2(C(=CCN(C2)S(=O)(=O)c2ccc(cc2)C(C)(C)C)C1)Cc1ccc(cc1)NS(=O)(=O)C	0.433	0.709	0.221	0.568	0.749	0.804	0.89	0.906	0.406	0.975	0.313
Compound_25	NC(=O)NC(=O)C(C1c2ccccc2Oc2c1cccc2)(C)C	0.233	0.574	0.108	0.274	0.359	0.724	0.56	0.069	0.446	0.003	0.404
Compound_26	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C(=O)c1nccc(c1)C(F)(F)F)S(=O)(=O)c1cnn(c1C)C	0.65	0.606	0.047	0.561	0.78	0.622	0.984	0.928	0.406	0.059	0.439
Compound_27	COc1ccc(cc1)C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1	0.314	0.598	0.02	0.323	0.333	0.718	0.061	0.054	0.421	0.001	0.249
Compound_28	Fc1cc2=NC(C)(C)CC(=c2c(c1c1cccc2c1[nH]cc2C)F)NOC(C)(C)C	0.468	0.739	0.192	0.62	0.712	0.716	0.981	0.893	0.578	0.131	0.791
Compound_29	COc1cccc2c1c1ccc(cc1C(O2)c1cccc(c1)C)NS(=O)(=O)C	0.486	0.704	0.835	0.676	0.841	0.917	0.971	0.495	0.47	0.907	0.787
Compound_30	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)CC(c1ccc(cc1)N(Cc1ccc(cc1)CC(=O)O)C)C1=C2CCC2=C1CCC(=O)C2	0.777	0.9	0.208	0.361	0.925	0.769	0.979	0.456	0.466	0.137	0.744
Compound_31	O=C(NCCCC(=O)O)CCCOc1ccc(cc1)Oc1ccc(cc1)CN(c1cccc(c1C)NS(=O)(=O)C)Cc1ccccc1	0.312	0.703	0.025	0.4	0.845	0.895	0.346	0.231	0.408	0.062	0.38
Compound_32	NC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)ccc(c2)Cl	0.618	0.502	0.305	0.447	0.35	0.686	0.314	0.185	0.414	0.47	0.907
Compound_33	COc1ccc(cc1c1ccc(cc1)[C@H](NS(=O)(=O)c1cn(nc1C(F)(F)F)C)C)F	0.441	0.491	0.084	0.487	0.589	0.642	0.949	0.596	0.439	0.979	0.688
Compound_34	CC#C[C@]1(O)C[C@H]2CCc3c([C@@]2(C[C@@H]1O)CC)ccc(c3)O	0.95	0.755	0.093	0.625	0.941	0.98	0.734	0.519	0.29	0.994	0.82
Compound_35	COc1c(O)ccc2c1c1ccc3c(c1/C(=C/c1sccc1[C@H](C(F)(F)F)O)/O2)C(=CC(N3)(C)C)C	0.677	0.608	0.917	0.53	0.878	0.643	0.761	0.831	0.405	0.6	0.974
Compound_36	Fc1ccc(c(c1)C(CC(C(F)(F)F)(Cc1cc2c([nH]1)cncc2)O)(C)C)C	0.196	0.653	0.887	0.687	0.702	0.693	0.929	0.223	0.434	0.465	0.59
Compound_37	O=C1C=C[C@]2(C(=CC[C@@H]3[C@]2(F)[C@@H](O)C[C@]2([C@H]3C[C@H]([C@]2(O)C(=O)CSc2nc3c(s2)cccc3)C)C)C1)C	0.848	0.93	0.934	0.857	0.68	0.737	0.739	0.192	0.462	0.839	0.603
Compound_38	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)c1ccc(cc1)CSc1ccc(cc1)N	0.568	0.9	0.039	0.872	0.924	0.789	0.958	0.081	0.225	0.112	0.542
Compound_39	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)CSc1ccc2c(n1)cccc2)C)C	0.849	0.94	0.601	0.884	0.878	0.885	0.459	0.24	0.269	0.082	0.595
Compound_40	OCC(=O)[C@@]1(OC(=O)NC(CC(C)(C)C)(C)C)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CC=C2[C@]1(C)C=CC(=O)C2)F	0.54	0.95	0.085	0.814	0.317	0.937	0.071	0.056	0.29	0.144	0.122
Compound_41	C[C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C1CC1)NC(=O)C(F)(F)C	0.61	0.629	0.48	0.541	0.895	0.648	0.756	0.275	0.425	0.001	0.287
Compound_42	O=C(c1cnc2c(c1Cl)c(C)nn2CCN1CCOCC1)Nc1ccc(cc1)C(F)(F)F	0.444	0.762	0.905	0.456	0.444	0.694	0.979	0.934	0.408	0.628	0.394
Compound_43	CC(=O)N[C@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(cc1)F)C	0.342	0.672	0.606	0.439	0.897	0.704	0.97	0.063	0.432	0.696	0.596
Compound_44	CC(N1CCC(CC1)n1ncc2c1ncc(c2Cl)C(=O)Nc1ccc(cc1)C(C)C)C	0.434	0.74	0.878	0.379	0.345	0.743	0.939	0.557	0.666	0.712	0.056
Compound_45	O[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@H]2C1c1ccc(cc1CC2)C(=O)Nc1ccc(nc1)C	0.629	0.858	0.072	0.542	0.253	0.862	0.673	0.373	0.301	0.085	0.452
Compound_46	COc1ccc(cc1C(CC(C(F)(F)F)(Cc1ccc(c2c1cccc2)C#N)O)(C)C)F	0.43	0.569	0.93	0.789	0.99	0.752	0.809	0.923	0.541	0.738	0.791
Compound_47	O=C1CCC2=C(C1)COC1C2=C(C[C@]2([C@H]1CC[C@@]2(O)C#CC1CC1)C)c1ccc(cc1)N(C)C	0.836	0.92	0.396	0.499	0.954	0.923	0.779	0.914	0.57	0.282	0.789
Compound_48	C[C@@H](Nc1cc(C)cc2c1cnn2c1ccc(cc1)F)CNS(=O)(=O)c1c(C)cc(cc1C)C	0.285	0.569	0.04	0.164	0.735	0.635	0.997	0.197	0.371	0.377	0.587
Compound_49	O=c1[nH]c(N2CCC(CC2)Oc2ccccc2)c(c(=O)n1C)Cc1ccccc1	0.271	0.673	0.034	0.379	0.196	0.499	0.042	0.294	0.662	0.001	0.31
Compound_50	COCCCCn1nc(c2c1ncc(c2Cl)C(=O)Nc1ccc(cc1)C(F)(F)F)C	0.423	0.747	0.967	0.703	0.46	0.732	0.973	0.985	0.639	0.169	0.415
Compound_51	COc1c(O)ccc2c1c1ccc3c(c1/C(=C/c1sccc1C#N)/O2)C(=CC(N3)(C)C)C	0.655	0.726	0.958	0.531	0.822	0.647	0.983	0.869	0.541	0.543	0.944
Compound_52	CONC1c2c(cc(c(c2F)c2cccc3c2[nH]cc3C)F)NC(C1=O)(C)C	0.582	0.623	0.981	0.439	0.694	0.688	0.956	0.88	0.392	0.655	0.892
Compound_53	C[C@H](NS(=O)(=O)c1c(C)cc(cc1C)C)CCc1ccccc1	0.091	0.466	0.146	0.231	0.24	0.407	0.267	0.151	0.35	0.325	0.142
Compound_54	Oc1ccc2c(c1)Oc1c([C@@H]2C(C(=O)N=c2scc[nH]2)(C)C)cccc1	0.505	0.673	0.801	0.647	0.845	0.95	0.182	0.239	0.472	0.063	0.432
Compound_55	C[C@@H]([C@@H](c1cnc2c(c1)cccc2)Oc1ccc2c(c1)cnn2c1ccc(cc1)F)NC(=O)C(F)(F)F	0.406	0.65	0.839	0.531	0.895	0.625	0.978	0.45	0.415	0.1	0.68
Compound_56	O=C1C=C[C@]2(C(=CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2([C@H]3C[C@H]([C@]2(O)C(=O)CSc2cnc3c(n2)cccc3)C)C)C1)C	0.589	0.87	0.827	0.801	0.609	0.737	0.058	0.816	0.237	0.82	0.774
Compound_57	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)CN1CCCCC1)S(=O)(=O)c1ccc(cc1)C(C)(C)C	0.544	0.659	0.061	0.249	0.749	0.637	0.655	0.336	0.4	0.722	0.494
Compound_58	Cc1csc(n1)Cc1c(=O)[nH]c(=O)[nH]c1[C@@H]1CC[C@@H](CC1)c1ccccc1	0.655	0.601	0.122	0.437	0.342	0.87	0.892	0.396	0.57	0.01	0.535
Compound_59	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)CSc1nc2c(o1)cccc2)C)C	0.589	0.92	0.564	0.894	0.706	0.665	0.871	0.24	0.132	0.234	0.683
Compound_60	Fc1ccc(cc1)CC12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)N1CCOCC1)c1ccc(cc1)F	0.666	0.586	0.274	0.506	0.764	0.606	0.96	0.917	0.36	0.028	0.524
Compound_61	Fc1ccc(cc1)n1ncc2c1ccc(c2)C(C(C(=O)N=c1scn[nH]1)(C)C)c1ccccc1	0.472	0.732	0.655	0.395	0.861	0.591	0.995	0.428	0.452	0.225	0.389
Compound_62	O=C(O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(c(c2F)c1cccc2c1[nH]cc2Cl)F)NC1CCCCC1	0.653	0.603	0.616	0.382	0.8	0.668	0.984	0.525	0.38	0.953	0.389
Compound_63	O=c1onc(c2c1ccc(c2)NC(=O)C(C(F)(F)F)(CC1(CCCc2c1cccc2)c1ccccc1)O)C	0.54	0.684	0.985	0.527	0.951	0.888	0.993	0.546	0.187	0.286	0.525
Compound_64	CCC1(CCCc2c1cccc2)CC(C(F)(F)F)(CNC(=O)c1c[nH]n(c1=N)c1ccc(cc1)F)O	0.465	0.726	0.059	0.402	0.868	0.749	0.662	0.362	0.424	0.038	0.395
Compound_65	CNC(=O)c1ccc(cc1F)c1ccc2c(n1)Oc1c([C@@H]2C(C(=O)N=c2scn[nH]2)(C)C)cccc1	0.679	0.744	0.636	0.517	0.734	0.914	0.979	0.522	0.419	0.733	0.5
Compound_66	CC(NC(=O)NC(=O)C([C@@H]1c2ccc(nc2Oc2c1cccc2F)c1ccc(cc1)C(=O)N1CCOCC1)(C)C)C	0.684	0.613	0.42	0.545	0.762	0.864	0.992	0.706	0.396	0.974	0.667
Compound_67	Fc1cc(Cl)cc(c1)[C@H]([C@H](C(C)C)NC(=O)C(F)(F)F)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C	0.57	0.629	0.396	0.554	0.921	0.673	0.924	0.425	0.413	0.28	0.417
Compound_68	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C(=O)c1nccc(c1)C(F)(F)F)S(=O)(=O)c1cnnn1C	0.642	0.646	0.031	0.558	0.748	0.626	0.983	0.835	0.4	0.123	0.425
Compound_69	Fc1cccc2c1Oc1nc(ccc1[C@H]2C(c1nc2c([nH]1)nccn2)(C)C)c1ccc(cc1)NS(=O)(=O)C	0.64	0.653	0.967	0.731	0.649	0.679	0.999	0.333	0.415	0.975	0.755
Compound_70	OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)Cc1ccc(cc1)C(F)(F)F	0.652	0.85	0.11	0.696	0.646	0.908	0.738	0.094	0.179	0.103	0.109
Compound_71	CC(NS(=O)(=O)c1c(C)cc(cc1C)C)Cc1c[nH]c2c1ccc(c2)F	0.206	0.508	0.112	0.197	0.602	0.66	0.948	0.749	0.336	0.868	0.414
Compound_72	O=c1[nH]c(=O)c(c([nH]1)[C@@H]1CC[C@@H](CC1)c1ccccc1)Cc1cccc(c1)C(F)(F)F	0.766	0.465	0.134	0.426	0.799	0.734	0.917	0.773	0.45	0.07	0.861
Compound_73	Clc1ccc(cc1)NC(=O)c1cnc2c(c1Cl)c(C)nn2Cc1nn(c(c1)C)C	0.479	0.732	0.92	0.828	0.533	0.684	0.95	0.947	0.648	0.256	0.161
Compound_74	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C(=O)c1cocn1)S(=O)(=O)c1ccc(cc1)C(F)(F)F	0.579	0.656	0.085	0.523	0.7	0.647	0.978	0.965	0.336	0.152	0.44
Compound_75	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)c1ccc(cc1)Sc1cccc(c1)N	0.549	0.93	0.136	0.838	0.767	0.724	0.833	0.755	0.166	0.025	0.782
Compound_76	C[C@@H]([C@@H](c1ccc2c(c1)OCCO2)Oc1ccc2c(c1)cnn2c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)NC(=O)C(F)(F)C	0.632	0.713	0.42	0.581	0.859	0.677	0.861	0.523	0.411	0.12	0.421
Compound_77	CCn1nccc1S(=O)(=O)N1CC[C@@H]2[C@@](C1)(Cc1c(C2)n(nc1)c1ccc(cc1)F)C(=O)c1nccc(c1)C(F)(F)F	0.645	0.586	0.106	0.562	0.732	0.634	0.992	0.942	0.405	0.056	0.354
Compound_78	Fc1ccc(cc1)n1ncc2c1C=C1CCC[C@@H]([C@]1(C2)C)[C@H](c1cocc1)O	0.739	0.777	0.327	0.49	0.748	0.635	0.585	0.541	0.65	0.168	0.615
Compound_79	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC(c1ccc(cc1)N(CCCOC1CC[C@]3([C@@H](C1)C[C@H]([C@@H]1[C@@H]3C[C@H](O)[C@]3([C@H]1CC[C@@H]3[C@@H](CCC(=O)O)C)C)O)C)C)C1=C2CCC2=C1CCC(=O)C2	0.787	0.91	0.039	0.363	0.956	0.7	0.481	0.529	0.414	0.188	0.709
Compound_80	COc1ccc(cc1C(CC(C(F)(F)F)(Cc1cc(Cl)ccc1Cl)O)(C)C)F	0.34	0.542	0.908	0.82	0.977	0.699	0.795	0.636	0.546	0.905	0.841
Compound_81	Fc1ccc(c(c1)C1(CCC1)CC(C(F)(F)F)(CNC(=O)c1c[nH]n(c1=N)c1ccccc1)O)Cl	0.399	0.646	0.13	0.53	0.926	0.661	0.567	0.331	0.408	0.043	0.363
Compound_82	COc1cc(F)ccc1c1c(CN(Cc2ccccc2)C)[nH]c2c1cc(cc2NS(=O)(=O)C)C(C)(C)C	0.599	0.605	0.567	0.479	0.714	0.722	0.997	0.512	0.475	0.763	0.746
Compound_83	O=C(CC(F)(F)F)NCC([C@H](c1ccc2c(c1)cnn2c1ccc(cc1)F)c1ccccc1)(C)C	0.26	0.674	0.326	0.416	0.919	0.626	0.993	0.807	0.527	0.006	0.35
Compound_84	Fc1ccc(cc1)n1ncc2c1C=C1CC[C@@]([C@]1(C2)C)(O)CCc1cccc(c1C(=O)N)F	0.771	0.829	0.071	0.461	0.892	0.665	0.956	0.275	0.402	0.298	0.334
Compound_85	Fc1cccc2c1Oc1nc(ccc1[C@H]2C(c1nc2c([nH]1)nccn2)(C)C)c1ccc(cc1)C(=O)N1CCOCC1	0.653	0.605	0.579	0.628	0.652	0.664	0.998	0.638	0.398	0.088	0.226
Compound_86	CCCn1nc(c2c1ncc(c2Cl)C(=O)Nc1ccc(cc1)C(F)(F)F)C	0.369	0.745	0.943	0.819	0.445	0.733	0.939	0.994	0.751	0.062	0.334
Compound_87	NC(=O)NC(=O)C([C@@H]1c2ccc(nc2Oc2c1cccc2)c1ccc(=NC(=O)C)[nH]c1)(C)C	0.744	0.651	0.656	0.474	0.531	0.85	0.01	0.526	0.397	0.474	0.706
Compound_88	O=c1[nH]c(=O)c(c([nH]1)N1CCC(CC1)c1ccccc1)Cc1ccccc1	0.321	0.578	0.01	0.224	0.185	0.343	0.012	0.087	0.458	0.025	0.417
Compound_89	O=C1C=C[C@]2(C(=CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2([C@H]3C[C@H]([C@]2(O)C(=O)CSc2nc3c(s2)nccc3)C)C)C1)C	0.688	0.85	0.718	0.81	0.573	0.728	0.128	0.673	0.22	0.825	0.698
Compound_90	CCC1=N[C@@]2(C(=C)O1)CC[C@@H]1[C@]2(C)CC(c2ccc(cc2)N(C)C)C2=C1CCC1=C2CCC(=O)C1	0.673	0.789	0.742	0.565	0.513	0.668	0.655	0.758	0.433	0.523	0.59
Compound_91	OCC(=O)N[C@H]([C@@H](c1ccc(cc1)S(=O)(=O)C)Oc1ccc2c(c1)cnn2c1ccc(cc1)F)C	0.365	0.536	0.862	0.449	0.779	0.661	0.942	0.073	0.385	0.146	0.401
Compound_92	O=C1CCC2=C(C1)CCC1=C2C(C[C@]2([C@H]1CC[C@@]12N=C(OC1=C)C)C)c1ccc(cc1)N(C)C	0.666	0.809	0.715	0.536	0.52	0.669	0.644	0.788	0.434	0.235	0.489
Compound_93	O[C@@H](C[C@H](CC(=O)O)O)COc1ccc(cc1)Oc1ccc(cc1)CN(c1cccc(c1C)NS(=O)(=O)C)Cc1ccccc1	0.408	0.759	0.006	0.45	0.84	0.81	0.558	0.409	0.368	0.275	0.556
Compound_94	OC(=O)COc1cccc(c1)Oc1ccc(cc1)CN(c1cccc(c1C)NS(=O)(=O)C)Cc1ccccc1	0.331	0.789	0.155	0.458	0.747	0.689	0.885	0.097	0.375	0.187	0.542
Compound_95	CCNC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F	0.535	0.649	0.046	0.376	0.737	0.595	0.7	0.216	0.392	0.616	0.448
Compound_96	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)CC=C1[C@H]2CC=C2[C@@]1(CCC(=O)C2)Cc1ccc(cc1)C	0.865	0.99	0.039	0.523	0.871	0.969	0.046	0.976	0.447	0.995	0.196
Compound_97	COc1c(O)ccc2c1c1ccc3c(c1/C(=C/c1sccc1C(=O)N1CCCCC1)/O2)C(=CC(N3)(C)C)C	0.684	0.766	0.794	0.535	0.767	0.733	0.984	0.836	0.477	0.785	0.589
Compound_98	OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(=C1[C@]2(C)C=CC(=O)C1)F)F)Cc1cccc(c1)C	0.656	0.86	0.349	0.595	0.339	0.914	0.689	0.107	0.235	0.22	0.125
Compound_99	C[C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(=O)n(c1)C(O)C)NC(=O)C(F)(F)C	0.62	0.669	0.377	0.537	0.877	0.636	0.839	0.027	0.384	0.539	0.573
Compound_100	CC([C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccns1)NC(=O)C(F)(F)C)C	0.528	0.688	0.424	0.561	0.684	0.708	0.968	0.144	0.363	0.915	0.648
Compound_101	C=CC[C@@H]1Oc2ccc(c(c2c2c1c1C(=CC(Nc1cc2)(C)C)C)OC)OC#N	0.461	0.723	0.684	0.507	0.784	0.59	0.815	0.936	0.299	0.725	0.721
Compound_102	C[C@H](NS(=O)(=O)c1c(C)cc(cc1C)C)CNc1cc(C)cc2c1cnn2c1cccc(c1)NCC(=O)N	0.221	0.564	0.129	0.241	0.728	0.642	0.995	0.009	0.319	0.051	0.341
Compound_103	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC(c1ccc(cc1)N(CCOC1CC[C@]3([C@@H](C1)C[C@H]([C@@H]1[C@@H]3C[C@H](O)[C@]3([C@H]1CC[C@@H]3[C@@H](CCC(=O)NCC(=O)O)C)C)O)C)C)C1=C2CCC2=C1CCC(=O)C2	0.765	0.863	0.016	0.363	0.931	0.687	0.209	0.355	0.373	0.152	0.539
Compound_104	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C)S(=O)(=O)c1ccccc1C	0.542	0.739	0.168	0.507	0.756	0.658	0.765	0.805	0.337	0.024	0.44
Compound_105	Fc1ccc(cc1)n1ncc2c1C=C1CCC[C@@H]([C@]1(C2)C)[C@H](c1ccccc1F)O	0.709	0.777	0.468	0.522	0.93	0.568	0.719	0.829	0.54	0.173	0.658
Compound_106	Fc1ccc(c(c1)C(CC(C(F)(F)F)(Cc1cc2c([nH]1)cncn2)O)(C)C)O	0.358	0.653	0.976	0.748	0.837	0.708	0.984	0.171	0.547	0.099	0.484
Compound_107	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(=C1[C@]2(C)C=CC(=O)C1)F)F)c1ccc(cc1)[C@@H](c1cccc(c1)N)C	0.685	0.95	0.035	0.771	0.92	0.883	0.937	0.098	0.22	0.144	0.493
Compound_108	CC([C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1cccn(c1=O)C)NC(=O)C(F)(F)C)C	0.579	0.656	0.243	0.565	0.877	0.64	0.898	0.126	0.397	0.26	0.236
Compound_109	O=c1[nH]c(=O)c(c([nH]1)[C@@H]1CC[C@@H](CC1)c1ccccc1)Cc1ccccc1	0.65	0.529	0.072	0.32	0.649	0.855	0.941	0.09	0.643	0.113	0.754
Compound_110	Fc1cc2=NC(C)(C)CC(=c2c(c1c1cccc2c1[nH]cc2C)F)NOCc1ccccc1	0.54	0.739	0.2	0.624	0.786	0.713	0.978	0.945	0.57	0.207	0.761
Compound_111	O=C1CCC2(C(=C(C)CC3C2CCC2(C3CCC2(OC(=O)C)C(=O)C)C)C1)C	0.943	1.0	0.021	0.754	0.463	0.767	0.206	0.929	0.099	0.955	0.087
Compound_112	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)c1ccc(cc1)Cc1ccc(c(c1)N)O	0.737	0.92	0.072	0.886	0.955	0.839	0.966	0.137	0.26	0.121	0.46
Compound_113	C#C[C@]1(O)CC[C@@H]2[C@]1(C)COC(C1=C2CCC2=C1CCC(=O)C2)c1ccc(cc1)N(C)C	0.906	0.96	0.646	0.504	0.804	0.873	0.807	0.79	0.586	0.086	0.781
Compound_114	COc1cccc(c1)CC12CCC(=O)C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C	0.442	0.759	0.551	0.622	0.367	0.657	0.483	0.782	0.386	0.951	0.304
Compound_115	COc1ccc(cc1C(CC(C(F)(F)F)(Cc1cc2c([nH]1)cccc2)O)(C)C)F	0.252	0.66	0.978	0.743	0.974	0.712	0.989	0.795	0.582	0.546	0.805
Compound_116	NC(=O)NC(=O)C([C@@H]1c2ccc(nc2Oc2c1cccc2F)c1ccc(cc1)n1cnnn1)(C)C	0.645	0.666	0.146	0.476	0.527	0.823	0.999	0.583	0.465	0.007	0.563
Compound_117	Fc1cccc2c1Oc1nc(ccc1[C@H]2C(c1nc2c([nH]1)nccn2)(C)C)c1ccccc1	0.634	0.648	0.842	0.647	0.676	0.685	0.993	0.477	0.483	0.15	0.494
Compound_118	O=C(c1cnc2c(c1Cl)cnn2Cc1cccnc1)Nc1ccc(cc1)C(C)C	0.54	0.686	0.989	0.785	0.5	0.688	0.997	0.778	0.654	0.009	0.131
Compound_119	O[C@@H]1C[C@@H](COc2cccc(c2)Oc2ccc(cc2)CN(c2cccc(c2C)NS(=O)(=O)C)Cc2ccc(cc2F)F)OC(=O)C1	0.561	0.767	0.305	0.562	0.911	0.774	0.833	0.981	0.397	0.396	0.707
Compound_120	C[C@@H]([C@@H](c1ccc(cc1)S(=O)(=O)C)Oc1ccc2c(c1)cnn2c1ccc(cc1)F)NS(=O)(=O)C1CC1	0.505	0.438	0.661	0.401	0.847	0.694	0.91	0.246	0.396	0.38	0.516
Compound_121	COc1ccc(cn1)[C@H]([C@@H](NC(=O)C(F)(F)C)C)Oc1ccc(cc1Cl)C#N	0.577	0.587	0.719	0.561	0.695	0.529	0.129	0.719	0.38	0.35	0.864
Compound_122	CN1CCC(CC1)n1nc(c2c1ncc(c2Cl)C(=O)Nc1ccc(cc1)C(C)C)C	0.445	0.746	0.687	0.364	0.354	0.749	0.943	0.65	0.67	0.67	0.052
Compound_123	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)CC(C1=C2CCC2=C1CCC(=O)C2)c1ccc(cc1C)OC	0.908	0.94	0.686	0.628	0.886	0.793	0.023	0.682	0.409	0.975	0.589
Compound_124	COc1c(O)ccc2c1c1ccc3c(c1/C(=C/c1sccc1[C@@H](C(F)(F)F)O)/O2)C(=CC(N3)(C)C)C	0.677	0.608	0.917	0.53	0.878	0.643	0.761	0.831	0.405	0.6	0.974
Compound_125	Fc1ccc(c(c1)C(CC(C(F)(F)F)(Cn1ccc(=O)c2c1cccc2)O)(C)C)C	0.467	0.669	0.882	0.691	0.975	0.318	0.967	0.587	0.43	0.195	0.243
Compound_126	COc1cccc2c1c1ccc(cc1C(O2)c1ccccc1)NS(=O)(=O)c1cccs1	0.468	0.488	0.773	0.603	0.734	0.754	0.948	0.763	0.525	0.542	0.229
Compound_127	Fc1ccc(cc1)n1ncc2c1ccc(c2)O[C@@H]([C@@H](NS(=O)(=O)C(C)C)C)c1ccccc1	0.482	0.568	0.69	0.445	0.846	0.74	0.913	0.132	0.3	0.942	0.775
Compound_128	C=CCC[C@@H]([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3c1ccc(cc1)F)O	0.808	0.799	0.632	0.656	0.782	0.499	0.117	0.983	0.179	0.191	0.666
Compound_129	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)c1ccc(cc1)CSc1ccc(c(c1)Cl)N	0.611	0.9	0.035	0.851	0.789	0.67	0.889	0.102	0.247	0.19	0.635
Compound_130	COc1ccc(cc1C(CC(C(F)(F)F)(Cc1cc2c([nH]1)cncc2)O)(C)C)c1cncnc1	0.264	0.703	0.955	0.63	0.793	0.676	0.989	0.826	0.334	0.503	0.728
Compound_131	CCOC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)F	0.637	0.629	0.189	0.55	0.701	0.605	0.819	0.779	0.394	0.733	0.509
Compound_132	O=C([C@@](C(F)(F)F)(C[C@]1(CCCc2c1cccc2)C1CCCC1)O)Nc1ccc2c(c1)c(C)noc2=O	0.688	0.764	0.88	0.56	0.889	0.886	0.953	0.855	0.188	0.16	0.428
Compound_133	O=C(c1ccc(cc1)c1ccc2c(c1)Oc1c(C2C(C(=O)N=c2scn[nH]2)(C)C)cccc1)N(C)C	0.291	0.761	0.291	0.574	0.434	0.938	0.905	0.137	0.417	0.824	0.361
Compound_134	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)CSc1nc2c(o1)cccn2)C)C	0.568	0.86	0.314	0.916	0.531	0.645	0.612	0.526	0.198	0.242	0.532
Compound_135	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)CC(c1ccc(cc1)OC)C1=C2CCC2=C1CCC(=O)C2	0.929	0.96	0.682	0.592	0.9	0.804	0.064	0.662	0.412	0.975	0.47
Compound_136	CN(C(=O)c1ccc(cc1)c1ccc2c(n1)Oc1c([C@@H]2C(c2nc3c([nH]2)nccn3)(C)C)cccc1F)C	0.64	0.724	0.724	0.649	0.644	0.682	0.999	0.479	0.443	0.615	0.423
Compound_137	C=CCC1Oc2ccc(c(c2c2c1c1C(=CC(Nc1cc2)(C)C)C)OC)Cl	0.505	0.687	0.854	0.503	0.712	0.709	0.954	0.902	0.331	0.989	0.9
Compound_138	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C)S(=O)(=O)c1ccccc1F	0.525	0.739	0.094	0.532	0.747	0.594	0.917	0.91	0.354	0.018	0.445
Compound_139	O=C1CCC2(C(=C1)CCN(C2)S(=O)(=O)c1ccc(cc1)C(C)(C)C)Cc1ccc(cc1)N(C)C	0.517	0.719	0.795	0.593	0.64	0.733	0.79	0.876	0.407	0.742	0.275
Compound_140	O=C1CCC2C(=CC[C@@H]3[C@@H]2[C@H](C[C@]2([C@H]3CC[C@@]2(O)C#CC(C)(C)C)C)c2ccc(cc2)N(C)C)C1	0.856	0.98	0.649	0.591	0.948	0.987	0.864	0.972	0.464	0.244	0.918
Compound_141	OCC(=O)[C@@]12O[C@@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1CCC1=CC(=O)C=C[C@]21C)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)N	0.477	0.93	0.051	0.838	0.828	0.73	0.764	0.621	0.228	0.026	0.318
Compound_142	C[C@]([C@H]1CCCC2=Cc3n(C[C@]12C)cnc3c1ccc(cc1)F)(C1CCOCC1)O	0.672	0.799	0.874	0.742	0.634	0.779	0.103	0.938	0.584	0.488	0.315
Compound_143	C[C@@H]([C@@H](c1ccccc1)Oc1ccc2c(c1)cnn2c1ccc(cc1)F)NC(=O)c1ccccc1	0.435	0.667	0.684	0.452	0.904	0.724	0.979	0.127	0.357	0.785	0.648
Compound_144	Fc1ccc(cc1)n1ncc2c1C=C1CCN(C[C@]1(C2)C(=O)c1nccc(c1)C(F)(F)F)S(=O)(=O)c1nnn(c1)C	0.625	0.666	0.047	0.54	0.763	0.625	0.983	0.936	0.4	0.118	0.426
Compound_145	C=CCOc1c(C)cc(cc1Cl)C1=C2C3=C(CCC2[C@H]2[C@@](C1)(C)[C@](O)(C#CC)CC2)CC(=O)CC3	0.912	0.92	0.271	0.53	0.913	0.719	0.034	0.981	0.397	0.918	0.413
Compound_146	CC[C@@H]([C@@H](c1cnc(nc1)C1CC1)Oc1ccc(cc1Br)C#N)NC(=O)C(F)(F)F	0.49	0.436	0.099	0.505	0.696	0.665	0.589	0.723	0.41	0.133	0.685
Compound_147	CN(CCCNC(=S)NCCSCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CC=C2[C@]1(C)C=CC(=O)C2)F)CCCNC(=O)CCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1nccn1C	0.627	0.669	0.156	0.568	0.725	0.653	0.228	0.057	0.378	0.964	0.355
Compound_148	Cc1cccc(c1)Cc1c([nH]c(=O)n(c1=O)C)[C@@H]1CC[C@@H](CC1)c1ccccc1	0.598	0.656	0.094	0.324	0.451	0.689	0.604	0.034	0.568	0.018	0.365
Compound_149	OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)Cc1cc2c(s1)cccc2	0.763	0.839	0.853	0.676	0.689	0.721	0.859	0.108	0.288	0.22	0.3
Compound_150	O=C(c1cnc2c(c1Cl)c(C)nn2C(C)C)Nc1ccc(cc1)C(F)(F)F	0.384	0.718	0.991	0.811	0.445	0.736	0.909	0.991	0.715	0.707	0.366
Compound_151	CCC(=O)NC(=O)C([C@@H]1c2ccc(nc2Oc2c1cccc2F)c1ccc(cc1)C(=O)N1CCOCC1)(C)C	0.712	0.682	0.114	0.546	0.637	0.856	0.976	0.783	0.381	0.979	0.49
Compound_152	Clc1ccc(cc1)NC(=O)c1cnc2c(c1Cl)c(C)nn2C1CCOCC1	0.449	0.759	0.997	0.761	0.416	0.774	0.818	0.979	0.517	0.133	0.196
Compound_153	OCC(=O)[C@@]12O[C@H](O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)c1ccc(cc1)CSc1cccc(c1)N	0.548	0.9	0.039	0.861	0.83	0.757	0.958	0.104	0.21	0.112	0.542
Compound_154	CCC(NS(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccc(c2c1cccc2)O	0.218	0.532	0.195	0.357	0.595	0.732	0.088	0.962	0.41	0.72	0.265
Compound_155	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ncccn1)C)C	0.782	0.89	0.019	0.761	0.307	0.657	0.945	0.69	0.291	0.089	0.517
Compound_156	Fc1ccc(cc1)n1ncc2c1C=C1CC[C@@H]([C@]1(C2)C)[C@H](c1cccc2c1cccc2)O	0.732	0.777	0.655	0.481	0.916	0.66	0.457	0.737	0.692	0.173	0.658
Compound_157	COc1cccc2c1c1ccc(cc1C(O2)c1cccc(c1)Cl)NS(=O)(=O)C	0.448	0.668	0.977	0.805	0.9	0.874	0.92	0.263	0.428	0.706	0.833
Compound_158	CC/C(=C/1\c2ccccc2OCc2c1cccc2)/c1cccc(c1)NS(=O)(=O)C	0.392	0.646	0.475	0.624	0.848	0.935	0.97	0.477	0.439	0.9	0.77
Compound_159	CONC1c2c(cc(c(c2F)c2cccc3c2[nH]cc3Cl)F)NC(C1=O)(C)C	0.701	0.63	0.989	0.43	0.802	0.674	0.981	0.89	0.394	0.85	0.912
Compound_160	O=c1[nH]c(C2CCC(CC2)c2ccccc2)c(c(=O)n1C)Cc1cccc(c1)C(F)(F)F	0.613	0.545	0.143	0.428	0.737	0.514	0.796	0.589	0.345	0.013	0.601
Compound_161	OC[C@@]12Cc3cnn(c3C=C2CCN(C1)S(=O)(=O)c1ccccc1)c1ccc(cc1)F	0.593	0.596	0.202	0.512	0.632	0.611	0.403	0.749	0.358	0.007	0.42
Compound_162	C/C=C/[C@H]1OC2(O[C@@H]1/C=C/C)CCC1=Cc3c(C[C@]21C)cnn3c1ccc(cc1)F	0.791	0.807	0.56	0.529	0.819	0.596	0.046	0.883	0.385	0.915	0.512
Compound_163	NC(=O)NC(=O)C([C@@H]1c2ccc(nc2Oc2c1cccc2F)c1ccc(cc1)C(=O)N1CCC1)(C)C	0.672	0.628	0.084	0.469	0.748	0.759	0.946	0.67	0.442	0.005	0.476
Compound_164	CCN(C(=O)c1ccc(cc1Cl)c1ccc2c(n1)Oc1c([C@H]2C(C(=O)N=c2scn[nH]2)(C)C)cccc1)C	0.671	0.738	0.122	0.57	0.738	0.891	0.993	0.599	0.403	0.752	0.384
Compound_165	COc1cccc2c1c1ccc3c(c1C(O2)C1CCCC1)C(=CC(N3)(C)C)C	0.477	0.672	0.582	0.547	0.864	0.822	0.964	0.665	0.336	0.982	0.955
Compound_166	Fc1ccc(cc1)n1ncc2c1C=C1CC[C@@]([C@]1(C2)C)(O)CCc1c(F)cccc1C(=O)N	0.797	0.829	0.058	0.457	0.899	0.671	0.936	0.264	0.295	0.298	0.334
Compound_167	Fc1ccc(c(c1)C(CC(C(F)(F)F)(CNc1cccc2c1cccn2)O)(C)C)O	0.349	0.571	0.663	0.609	0.976	0.542	0.887	0.41	0.511	0.028	0.297
Compound_168	OC(=O)CCCc1ccc(cc1)Oc1ccc(cc1)CN(c1cccc(c1C)NS(=O)(=O)C)Cc1ccccc1	0.444	0.714	0.123	0.351	0.847	0.911	0.9	0.701	0.399	0.034	0.478
Compound_169	Clc1ccc(cc1)NC(=O)c1cnc2c(c1Cl)c(C)nn2Cc1[nH]nc(n1)C	0.449	0.664	1.001	0.795	0.589	0.673	0.977	0.949	0.648	0.021	0.22
Compound_170	CCN(C(=O)c1c(F)cccc1F)CC(C(F)(F)F)(CNC(=O)c1c[nH]n(c1=N)c1ccc(cc1)F)O	0.417	0.586	0.022	0.468	0.684	0.716	0.065	0.195	0.406	0.022	0.371
Compound_171	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2	0.911	0.98	0.425	0.621	0.93	0.988	0.864	0.863	0.435	0.244	0.918
Compound_172	C[C@H](NS(=O)(=O)c1c(C)cc(cc1C)C)CNc1cc(C)cc2c1cnn2c1cccc(c1)NC(C)C	0.22	0.554	0.515	0.236	0.728	0.652	0.997	0.05	0.277	0.236	0.484
Compound_173	C=CCC1Oc2ccc(c(c2c2c1c1C(=CC(Nc1cc2)(C)C)C)OC)F	0.476	0.659	0.854	0.503	0.856	0.755	0.928	0.902	0.44	0.974	0.862