Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCc1cc(C(=O)O)c2n(c1)c(cn2)C#CC12CCC(CC1)(CC2)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1	0.534	0.616	0.004	0.438	0.772	0.67	0.983	0.517	0.568	0.232	0.767
Compound_2	CCc1nc(cc2c1cc(OCC13CCC(CC1)(CC3)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1)cc2)C(=O)O	0.669	0.714	0.131	0.558	0.911	0.678	0.967	0.965	0.459	0.703	0.938
Compound_3	Brc1ccc2c(c1)C1(CCN(CC1)S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N2Cc1ccc(cc1)C(=O)O	0.505	0.545	0.07	0.402	0.691	0.652	0.736	0.655	0.401	0.636	0.481
Compound_4	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC(C3(C)CC[C@@H]2C2(C1C[C@H](O)CC2)C)[C@@H](CCC(=O)NS(=O)(=O)c1ccc2c(c1)OCO2)C	0.389	0.875	0.034	0.299	0.494	0.731	0.368	0.219	0.264	0.706	0.359
Compound_5	Clc1cc(ccc1C1CC1c1ccc2c(c1)n(C)nc2C(=O)O)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.581	0.676	0.634	0.548	0.857	0.669	0.984	0.366	0.404	0.868	0.875
Compound_6	O=C1C2C[C@H](N1c1ccc(c(c1)F)C(=O)NS(=O)(=O)CCC1COCC1)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.712	0.718	0.222	0.534	0.776	0.665	0.824	0.405	0.404	0.801	0.617
Compound_7	CCOC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)C)C(=O)c1ccc(cc1)F	0.562	0.722	0.907	0.571	0.792	0.697	0.988	0.799	0.43	0.632	0.77
Compound_8	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)N1CCC(CC1)(CC)CO)C	0.241	0.661	0.018	0.494	0.514	0.883	0.015	0.111	0.247	0.47	0.398
Compound_9	COc1ccc(cc1C(=O)NS(=O)(=O)C)c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1	0.621	0.704	0.251	0.697	0.787	0.691	0.999	0.981	0.431	0.882	0.492
Compound_10	OC(=O)c1cc(OC2CC2)c2c(c1)sc(n2)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(C)cccc1Cl)C1CC1	0.516	0.59	0.742	0.527	0.705	0.652	0.985	0.722	0.447	0.768	0.626
Compound_11	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)NS(=O)(=O)c1ccc(c(c1)OC)OC)C	0.463	0.855	0.007	0.282	0.657	0.725	0.361	0.62	0.231	0.51	0.338
Compound_12	O=C(c1c(onc1c1c(Cl)cccc1Cl)C1CC1)O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1sc2c(n1)c(cc(c2)C(=O)O)C1CC1	0.553	0.504	0.92	0.499	0.714	0.653	0.988	0.674	0.419	0.171	0.54
Compound_13	O=C1C2C[C@H](N1c1cc(ccc1C(=O)O)C1CC1)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.448	0.674	0.479	0.433	0.827	0.669	0.97	0.27	0.402	0.446	0.708
Compound_14	OC(=O)Cc1ccc(c(c1)F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.433	0.653	0.644	0.495	0.889	0.679	0.098	0.565	0.292	0.516	0.781
Compound_15	OC(=O)C1CC1c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1	0.585	0.649	0.059	0.41	0.804	0.662	0.525	0.552	0.429	0.531	0.51
Compound_16	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)c1cc(F)cc(c1)OC)C	0.183	0.769	0.019	0.225	0.456	0.803	0.378	0.364	0.3	0.531	0.334
Compound_17	OC(=O)c1ccc(cc1)N1[C@H]2CC(C1=O)[C@@H](C2)OCc1c(onc1c1c(C)cccc1Cl)C1CC1	0.457	0.685	0.346	0.458	0.821	0.676	0.665	0.319	0.351	0.626	0.699
Compound_18	OC(=O)c1cc2sc(nc2c(c1)C1CCOCCC1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.623	0.547	0.421	0.477	0.713	0.653	0.975	0.703	0.468	0.358	0.612
Compound_19	Cc1cc(ccc1/C=C/c1cccc(c1)C(=O)O)OCc1c(onc1c1c(Cl)cccc1Cl)C(C)C	0.557	0.69	0.936	0.554	0.992	0.916	0.985	0.176	0.478	0.789	0.891
Compound_20	COc1cc(ccc1OCC12CCC(CC1)(CC2)/C=C/c1c(onc1c1c(Cl)cncc1Cl)C1CC1)C(=O)O	0.589	0.641	0.588	0.548	0.92	0.722	0.313	0.89	0.37	0.102	0.897
Compound_21	O=C1C2C[C@H](N1c1ccc(c(c1)F)C(=O)O[C@@H]1CCC[C@H]1S(=O)(=O)N)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.661	0.589	0.094	0.492	0.774	0.653	0.792	0.13	0.399	0.265	0.523
Compound_22	CC(=O)OCCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.567	0.819	0.294	0.573	0.81	0.687	0.707	0.851	0.404	0.961	0.508
Compound_23	CN1CCN(CC1)c1nc(cc2c1cc(/C=C/C13CCC(CC1)(CC3)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1)cc2)C(=O)O	0.674	0.778	0.057	0.322	0.83	0.677	0.985	0.343	0.476	0.315	0.57
Compound_24	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)NS(=O)(=O)C)C	0.38	0.827	0.024	0.334	0.647	0.917	0.021	0.21	0.381	0.827	0.479
Compound_25	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](COC(=O)NS(=O)(=O)c1ccc(cc1)C1CCCCC1)C	0.374	0.814	0.0	0.219	0.837	0.813	0.064	0.115	0.221	0.694	0.292
Compound_26	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)NS(=O)(=O)c1ccc(s1)c1ccccc1)C	0.628	0.809	0.116	0.508	0.691	0.781	0.777	0.85	0.341	0.784	0.332
Compound_27	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](COC(=O)NS(=O)(=O)c1ccc(cc1)c1ccccc1)C	0.505	0.829	0.005	0.379	0.84	0.83	0.379	0.521	0.289	0.748	0.32
Compound_28	Fc1ccc2c(c1)n(C1CC1)c(n2)C(n1c(O)cn(c1=O)c1ccc(cc1)Oc1ccc(cc1)F)CC1CCN(CC1)C(=O)C(C)C	0.548	0.65	0.167	0.54	0.868	0.807	0.841	0.731	0.401	0.089	0.158
Compound_29	Cc1ccc2c(c1)n(C)c(n2)C(n1c(O)cn(c1=O)c1ccc(cc1)Oc1ccc(cc1)F)CC1CCN(CC1)C(=O)C(C)C	0.566	0.635	0.053	0.523	0.783	0.834	0.955	0.28	0.388	0.626	0.223
Compound_30	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2)C	0.087	0.807	0.002	0.149	0.631	0.786	0.23	0.098	0.178	0.265	0.174
Compound_31	OC(=O)c1ncc(cc1OC1CCC1)OCC12CCC(CC1)(CC2)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1	0.576	0.636	0.139	0.522	0.841	0.652	0.859	0.746	0.465	0.704	0.864
Compound_32	OC(=O)CNC(=O)c1ccc(cc1F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.525	0.631	0.51	0.409	0.861	0.665	0.647	0.795	0.316	0.681	0.717
Compound_33	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)NS(=O)(=O)c1ccc(cc1)C(CO)(C)C)C	0.25	0.797	0.003	0.3	0.762	0.813	0.064	0.332	0.25	0.576	0.252
Compound_34	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)N1CC[C@H](C1)O)C	0.155	0.724	0.022	0.483	0.616	0.881	0.039	0.201	0.238	0.772	0.453
Compound_35	O=C1C2C[C@H](N1c1ccc(cc1)C(=O)NS(=O)(=O)CCC1COCC1)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.668	0.708	0.128	0.49	0.774	0.667	0.787	0.367	0.401	0.801	0.547
Compound_36	Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)c1c(Cl)cccc1Cl)C(=O)O	0.464	0.684	0.409	0.472	0.88	0.673	0.919	0.847	0.299	0.508	0.9
Compound_37	Clc1cncc(c1c1noc(c1COC12CCC(CC1)(CC2)c1onc(n1)c1ccc(c(c1)C(=O)O)F)C1CC1)Cl	0.582	0.619	0.528	0.685	0.875	0.69	0.993	0.851	0.57	0.602	0.59
Compound_38	Clc1ccc(cc1)c1nc2c(n1[C@@H](C1CCCCC1)COc1ccc(cc1)C(=O)O)cc(c(c2)F)F	0.633	0.556	0.947	0.639	0.956	0.83	0.987	0.96	0.332	0.716	0.688
Compound_39	CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2ccc(c1)F)(C)C)C(=O)c1ccc(cc1)OCCN1CCOCC1)C	0.655	0.707	0.16	0.384	0.834	0.691	0.971	0.839	0.432	0.999	0.601
Compound_40	O=C(c1c(onc1c1c(Cl)cccc1Cl)C1CC1)O[C@@H]1C[C@@H]2C[C@H]1CN2c1sc2c(n1)c(OCC(F)(F)F)cc(c2)C(=O)O	0.53	0.645	0.964	0.533	0.71	0.652	0.992	0.93	0.375	0.692	0.801
Compound_41	CCOc1cc(cc2c1nc(s2)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1)C(=O)O	0.505	0.607	0.578	0.524	0.705	0.652	0.973	0.937	0.384	0.795	0.719
Compound_42	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCCOC(=O)NCc1ccccc1)C	0.317	0.784	0.034	0.32	0.578	0.973	0.428	0.17	0.395	0.23	0.299
Compound_43	Clc1cncc(c1c1noc(c1COC12CCC(CC1)(CC2)C#Cc1ccc(c2c1nccc2)C(=O)O)C1CC1)Cl	0.535	0.662	0.017	0.445	0.914	0.69	0.981	0.103	0.546	0.179	0.868
Compound_44	Clc1cncc(c1c1noc(c1COC12CCC(CC1)(CC2)COc1cc(n(n1)CC1CC1)C(=O)O)C1CC1)Cl	0.635	0.688	0.018	0.525	0.814	0.649	0.68	0.606	0.662	0.792	0.548
Compound_45	OC(=O)c1ccc2c(c1)sc(n2)N1CCC(CC1)OCc1c(onc1c1ccccc1C(F)(F)F)C1CC1	0.41	0.64	0.165	0.498	0.685	0.723	1.0	0.881	0.579	0.104	0.666
Compound_46	Clc1cc(OCc2c(noc2C(C)C)COc2c(C)cccc2C)ccc1/C=C/c1cccc(c1)C(=O)O	0.565	0.697	0.614	0.457	0.966	0.835	0.945	0.453	0.684	0.986	0.858
Compound_47	Fc1cccc(c1c1noc(c1COC1CCN(CC1)c1nc2c(s1)cc(cc2)C(=O)O)C1CC1)F	0.39	0.556	0.388	0.443	0.677	0.725	0.999	0.585	0.526	0.207	0.53
Compound_48	Clc1cccc(c1c1noc(c1CO[C@H]1C[C@H]2C[C@@H]1CN2c1sc2c(n1)c(cc(c2)C(=O)O)C1CCCC1)C1CC1)Cl	0.574	0.554	0.507	0.493	0.712	0.652	0.975	0.68	0.453	0.359	0.618
Compound_49	COc1cc(cc2c1nc(s2)N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c(onc1c1c(Cl)cccc1Cl)C1CC1)C(=O)O	0.505	0.598	0.978	0.524	0.694	0.653	0.99	0.839	0.403	0.409	0.569
Compound_50	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)C[C@]12CCC(C1(C)C)CC2=O)C	0.16	0.804	0.002	0.256	0.616	0.766	0.048	0.369	0.343	0.652	0.29
Compound_51	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](COC(=O)NS(=O)(=O)c1ccc(cc1)N1CCC1)C	0.231	0.734	0.0	0.25	0.66	0.644	0.063	0.442	0.182	0.81	0.473
Compound_52	COCc1cc(C#CC23CCC(CC2)(CC3)OCc2c(onc2c2c(Cl)cncc2Cl)C2CC2)cc(c1)C(=O)O	0.609	0.712	0.018	0.414	0.929	0.758	0.527	0.109	0.502	0.172	0.75
Compound_53	CC1=Cc2ccc(cc2Oc2c1nc(cc2)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1)C(=O)O	0.596	0.769	0.764	0.463	0.865	0.694	0.982	0.859	0.472	0.873	0.776
Compound_54	OC(=O)c1cccc(c1)c1noc(n1)C12CCC(CC1)(CC2)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.591	0.669	0.52	0.686	0.948	0.794	0.98	0.707	0.4	0.857	0.686
Compound_55	Cc1cc(ccc1c1ccc2c(c1)n(C)cc2C(=O)O)OCc1c(onc1c1c(Cl)cncc1Cl)C(C)C	0.4	0.735	0.607	0.679	0.92	0.671	0.972	0.422	0.676	0.357	0.905
Compound_56	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)NS(=O)(=O)c1ccc(s1)C(C)(C)C)C	0.453	0.794	0.018	0.364	0.674	0.796	0.147	0.801	0.383	0.738	0.286
Compound_57	OC(=O)c1cccc(c1)c1noc(n1)C12CCC(CC1)(CC2)/C=C/c1c(onc1c1c(Cl)cncc1Cl)C1CC1	0.534	0.69	0.704	0.672	0.849	0.697	0.985	0.848	0.741	0.708	0.329
Compound_58	O=C(c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1)NS(=O)(=O)C1CCC1	0.604	0.579	0.353	0.475	0.819	0.655	0.422	0.737	0.391	0.898	0.523
Compound_59	O=C(c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1)NS(=O)(=O)C1CC1	0.562	0.619	0.353	0.451	0.797	0.672	0.422	0.807	0.378	0.898	0.495
Compound_60	O=C1C2C[C@H](N1c1ccc(cc1)C(=O)NCCS(=O)(=O)O)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.548	0.689	0.304	0.307	0.773	0.665	0.691	0.204	0.396	0.514	0.595
Compound_61	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)c1ccc(s1)C(C)(C)C)C	0.129	0.797	0.008	0.295	0.591	0.758	0.247	0.843	0.372	0.385	0.178
Compound_62	Clc1cccc(c1c1noc(c1CCC1CCN(CC1)c1sc2c(n1)c(F)cc(c2)C(=O)O)C1CC1)Cl	0.441	0.499	0.473	0.44	0.706	0.717	0.989	0.826	0.446	0.081	0.365
Compound_63	OC(=O)c1cc(C)c2c(c1)sc(n2)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(C)cccc1Cl)C1CC1	0.439	0.619	0.625	0.492	0.705	0.653	0.988	0.709	0.516	0.324	0.615
Compound_64	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)N1CCC(CC1)(C)C)C	0.183	0.737	0.015	0.309	0.516	0.777	0.081	0.237	0.339	0.91	0.308
Compound_65	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)N1CCC(CC1)(CO)CO)C	0.242	0.661	0.018	0.491	0.46	0.866	0.013	0.111	0.236	0.599	0.383
Compound_66	Clc1cccc(c1c1noc(c1COC12CCC(CC1)(CC2)Cn1nc(c(c1)C(=O)O)C(F)F)C1CC1)Cl	0.655	0.685	0.429	0.53	0.921	0.667	0.982	0.627	0.498	0.7	0.799
Compound_67	O=C1C2C[C@H](N1c1ccc(cc1)C(=O)NS(=O)(=O)C1CCOCC1)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.592	0.638	0.245	0.485	0.812	0.699	0.868	0.659	0.395	0.824	0.5
Compound_68	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCCOC(=O)NS(=O)(=O)N(C)C)C	0.34	0.747	0.019	0.323	0.724	0.9	0.035	0.293	0.342	0.78	0.461
Compound_69	O=C(NS(=O)(=O)C1CCOCC1)CCc1ccc(c(c1)F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.572	0.608	0.294	0.49	0.833	0.709	0.653	0.819	0.383	0.904	0.539
Compound_70	CN(c1ccc(nc1C(F)(F)F)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1)Cc1ccc(cc1)C(=O)NCCS(=O)(=O)O	0.505	0.687	0.551	0.448	0.827	0.696	0.997	0.832	0.383	0.403	0.58
Compound_71	Clc1cccc(c1c1noc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1ccc(cc1)C(=O)C(F)(F)F)C1CC1)Cl	0.505	0.628	0.375	0.629	0.886	0.686	0.828	0.825	0.406	0.181	0.911
Compound_72	N#Cc1cc(CCC(=O)O)ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.582	0.654	0.481	0.392	0.874	0.654	0.467	0.488	0.388	0.359	0.892
Compound_73	O=C(NS(=O)(=O)C)CCc1ccc(c(c1)F)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.529	0.829	0.265	0.496	0.821	0.7	0.808	0.874	0.398	0.92	0.61
Compound_74	COC(=O)/C=C/c1cccc(c1)N(C(=O)C1CCCCC1)Cc1ccc(cc1)c1cccc(c1)Cl	0.744	0.637	0.848	0.701	0.92	0.946	0.995	0.754	0.475	0.987	0.379
Compound_75	OC(=O)c1cc(O[C@H]2COCC2)c2c(c1)sc(n2)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.548	0.576	0.485	0.51	0.708	0.652	0.956	0.842	0.417	0.548	0.618
Compound_76	Clc1cccc(c1c1noc(c1CO[C@@H]1C[C@@H]2C[C@H]1CN2c1sc2c(n1)c(cc(c2)C(=O)O)C(F)(F)F)C1CC1)Cl	0.493	0.605	0.376	0.555	0.715	0.653	0.99	0.802	0.444	0.438	0.759
Compound_77	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](COC(=O)NS(=O)(=O)c1ccc(s1)c1ccccc1)C	0.628	0.809	0.028	0.493	0.691	0.781	0.777	0.931	0.34	0.784	0.332
Compound_78	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CNC(=O)NS(=O)(=O)c1cccc(c1)OC(F)(F)F)C	0.15	0.809	0.019	0.265	0.684	0.798	0.277	0.297	0.233	0.373	0.317
Compound_79	O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1F)C(=O)O	0.498	0.706	0.961	0.676	0.891	0.826	0.995	0.915	0.428	0.931	0.285
Compound_80	O=C(C(n1c(nc2c1cccc2)c1ccc(cc1)Cl)C1CCCCC1)Nc1ccc(cc1C(F)(F)F)C(=O)O	0.47	0.684	0.924	0.668	0.884	0.83	0.997	0.931	0.504	0.92	0.445
Compound_81	OC(=O)c1cccc(c1)[C@@H]1C[C@@H](C1)c1ccc(cc1Cl)OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.463	0.545	0.693	0.554	0.979	0.666	0.976	0.577	0.425	0.862	0.902
Compound_82	Clc1cccc(c1c1noc(c1C1=CC2(C1)CCN(CC2)c1ccc2c(c1)n(C)cc2C(=O)O)C1CC1)Cl	0.478	0.743	0.408	0.462	0.951	0.666	0.988	0.624	0.405	0.009	0.617
Compound_83	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)NCc1ccc(cc1)C(=O)O)C	0.204	0.764	0.012	0.281	0.552	0.988	0.426	0.274	0.234	0.33	0.444
Compound_84	CCc1onc(c1COc1ccc(c(c1)Cl)/C=C/c1cccc(c1)C(=O)O)c1c(F)cccc1C(F)(F)F	0.609	0.652	0.864	0.618	0.989	0.796	0.964	0.433	0.633	0.688	0.945
Compound_85	CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cc(cc1)F)(C)C)C(=O)c1ccc(c(c1)F)F)C	0.624	0.662	0.948	0.513	0.835	0.69	0.975	0.854	0.497	0.813	0.659
Compound_86	Clc1cccc(c1)c1nc2n(c1NCc1ccccc1)cc(cc2)C	0.442	0.76	0.581	0.709	0.629	0.873	0.96	0.271	0.345	0.163	0.101
Compound_87	O=C(C(F)(F)F)Nc1ccc(c(c1)Cl)CNC(=O)c1ccc(cc1)C(C)(C)C	0.878	0.56	0.949	0.684	0.911	0.938	0.589	0.73	0.415	0.574	0.738
Compound_88	Fc1cc(ccc1N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(noc1C1(F)CC1)c1c(Cl)cccc1Cl)C(=O)NS(=O)(=O)C1CC1	0.627	0.689	0.665	0.512	0.806	0.669	0.84	0.826	0.387	0.898	0.583
Compound_89	Fc1cc(ccc1N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c(onc1c1c(Cl)cccc1Cl)C1CC1)C(=O)NS(=O)(=O)C	0.581	0.679	0.712	0.582	0.89	0.736	0.932	0.573	0.403	0.762	0.648
Compound_90	O=C(C(n1c(nc2c1cc(F)c(c2)F)c1ccc(cc1)Cl)C1CCCCC1)NC1CCCCC1	0.494	0.572	0.972	0.693	0.859	0.864	0.67	0.949	0.438	0.868	0.141
Compound_91	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)C1CC2CC1CC2)C	0.177	0.787	0.013	0.285	0.654	0.661	0.058	0.4	0.338	0.532	0.222
Compound_92	CC(COc1cc(nc2c1cc(OCC13CCC(CC1)(CC3)OCc1c(onc1c1c(Cl)cncc1Cl)C1CC1)cc2)C(=O)O)C	0.605	0.739	0.089	0.629	0.916	0.68	0.987	0.842	0.491	0.651	0.715
Compound_93	O=C1C2C[C@H](N1c1sc3c(n1)c(cc(c3)C(=O)O)C1COCC1)C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.629	0.531	0.964	0.484	0.709	0.653	0.987	0.723	0.436	0.521	0.451
Compound_94	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CCC(C3(C)CC[C@@H]2C2(C1C[C@H](O)CC2)C)[C@@H](CCC(=O)NS(=O)(=O)c1ccc(c(c1)F)C)C	0.298	0.817	0.002	0.257	0.625	0.772	0.064	0.138	0.345	0.938	0.333
Compound_95	CC(OC(=O)C)CCS(=O)(=O)NC(=O)c1ccc(cc1)N1C[C@@H]2C[C@H]1C[C@H]2OCc1c(onc1c1c(Cl)cccc1Cl)C1CC1	0.599	0.819	0.108	0.473	0.816	0.695	0.707	0.799	0.401	0.965	0.492
Compound_96	CC(=O)NCCN(C(=O)c1nn(c2c1COc1c2cc(cc1)Br)C)Cc1cccc(c1)F	0.708	0.708	0.571	0.563	0.648	0.654	0.644	0.779	0.427	0.028	0.227
Compound_97	CC(=O)NCCN(C(=O)c1nn(c2c1COc1c2cc(cc1)I)C)Cc1ccccc1	0.645	0.677	0.546	0.557	0.555	0.688	0.593	0.746	0.421	0.009	0.313
Compound_98	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)N1C(C)CCC1C)C	0.152	0.739	0.012	0.284	0.647	0.898	0.151	0.251	0.343	0.635	0.34
Compound_99	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCCOC(=O)NS(=O)(=O)C(C)(C)C)C	0.392	0.807	0.159	0.381	0.624	0.884	0.011	0.321	0.371	0.748	0.398
Compound_100	CC(=O)NCCN(C(=O)c1nn(c2c1COc1c2cc(cc1)Br)C)Cc1ccccc1F	0.711	0.721	0.565	0.59	0.648	0.654	0.644	0.718	0.429	0.02	0.216
Compound_101	OC(=O)CCc1cccc(c1)NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C(C)(C)C	0.738	0.607	0.582	0.605	0.783	0.879	0.844	0.257	0.577	0.032	0.097
Compound_102	N#Cc1[nH]c2c(c1)C(C)(C)CN(C=C2C(=O)OC(C)C)C(=O)C1CCCCC1	0.505	0.649	0.314	0.487	0.697	0.646	0.065	0.682	0.698	0.761	0.584
Compound_103	CCOC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(cc1)Cl	0.579	0.647	0.927	0.565	0.812	0.68	0.984	0.778	0.338	0.903	0.879
Compound_104	CC(c1onc(c1COc1ccc(cc1)c1ccc2c(c1)scc2C(=O)O)c1c(Cl)cccc1Cl)C	0.463	0.674	0.887	0.691	0.903	0.76	0.989	0.634	0.474	0.381	0.869
Compound_105	CC[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCNC(=O)NS(=O)(=O)c1cccc(c1)Cl)C	0.08	0.799	0.033	0.236	0.724	0.743	0.468	0.185	0.244	0.367	0.246
Compound_106	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)N(OC)C)C	0.408	0.817	0.013	0.475	0.781	0.931	0.044	0.437	0.239	0.107	0.754
Compound_107	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCOC(=O)N1CCC(CC1)(CO)CCl)C	0.34	0.661	0.025	0.684	0.786	0.89	0.17	0.414	0.331	0.481	0.622
Compound_108	CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@H]1C[C@H](O)CC2)C)[C@@H](CCCOC(=O)NS(=O)(=O)c1cccc(c1)C(C)(C)C)C	0.274	0.814	0.005	0.279	0.551	0.932	0.064	0.512	0.237	0.749	0.28
Compound_109	Clc1cncc(c1c1noc(c1COC12CCC(CC1)(CC2)COc1ccc(c2c1nccc2)C(=O)O)C1CC1)Cl	0.638	0.686	0.213	0.539	0.847	0.661	0.974	0.813	0.587	0.704	0.936