Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O=C(Nc1cc(nn1c1ccc(cc1)C)C(C)(C)C)Nc1ccc(c2c1cccc2)OCCN1CCOCC1	0.469	0.702	0.143	0.378	0.905	0.794	0.993	0.898	0.454	0.703	0.592
Compound_2	ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F	0.505	0.571	0.74	0.537	0.704	0.879	0.348	0.854	0.389	0.315	0.516
Compound_3	CC[C@H]([C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)OS(=O)(=O)O)NC(=O)[C@@H](Cc1ccc(cc1)O)O)C	0.427	0.561	-0.0	0.25	0.131	0.521	0.008	0.622	0.389	0.021	0.538
Compound_4	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H]([C@@H]([C@H]2O)NC(=O)C)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C	0.073	0.652	0.002	0.248	0.349	0.446	0.003	0.401	0.253	0.494	0.271
Compound_5	CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC	0.549	0.657	0.052	0.469	0.407	0.425	0.208	0.389	0.406	0.108	0.092
Compound_6	OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@@H]([C@H]2O)CO)[C@H]([C@H]([C@@H]1O)O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)O)O)O	0.345	0.53	0.0	0.362	0.649	0.593	0.066	0.006	0.412	0.766	0.1
Compound_7	O[C@H](CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C(=O)c1cnc(c(n1)Cl)N1CCN(CC1)C)C[C@H](C(=O)N[C@H]1[C@@H](C)CC[C@H]1O)Cc1ccccc1	0.609	0.761	0.031	0.307	0.493	0.617	0.145	0.184	0.291	0.982	0.478
Compound_8	O[C@@H](C[C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)Cc1ccccc1)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc1cc2c(o1)cccc2	0.61	0.681	0.945	0.34	0.399	0.587	0.953	0.213	0.329	0.973	0.607
Compound_9	O=C([C@@H](C[C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1)O)OCc1ccccc1)N[C@@H]1[C@H](O)Cc2c1cccc2	0.455	0.736	0.038	0.307	0.438	0.546	0.825	0.164	0.237	0.929	0.731
Compound_10	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1ccc(=O)[nH]c1=O)O)O)n1cnc2c1ncnc2N	0.68	0.652	0.019	0.422	0.418	0.632	0.027	0.041	0.445	0.03	0.473
Compound_11	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(O)cc(=O)[nH]c1=O)COP(=O)(O)O	0.654	0.368	0.006	0.298	0.359	0.178	0.049	0.002	0.226	0.11	0.427
Compound_12	O[C@@H]1[C@H](O)[C@H](O[C@H]1[n+]1cccc(c1)C(=O)C)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.188	0.685	0.096	0.55	0.564	0.646	0.009	0.129	0.379	0.123	0.62
Compound_13	CC[C@@H]([C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NC)[C@H](CC)C)OCc1ccccc1)O)O)OCc1ccccc1)C	0.198	0.564	0.033	0.403	0.063	0.254	0.019	0.284	0.346	0.249	0.359
Compound_14	CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1)O)O)OCc1ccccc1	0.631	0.704	0.176	0.326	0.403	0.527	0.066	0.216	0.345	0.328	0.487
Compound_15	O=C([C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1F)O)O)OCc1ccccc1F)N[C@@H]1[C@H](O)Cc2c1cccc2	0.538	0.657	0.499	0.383	0.511	0.573	0.926	0.038	0.29	0.886	0.603
Compound_16	O=C(N[C@H](C(=O)N[C@H](CCS(=O)(=O)Oc1ccc(cc1)N(=O)=O)CCc1ccccc1)Cc1ccccc1)OCc1ccccc1	0.659	0.641	0.226	0.459	0.865	0.907	0.959	0.938	0.398	0.805	0.556
Compound_17	O[C@@H](C[C@@H]([C@@H](c1ccccc1)C)C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)Cc1ccc2c(c1)OCO2	0.731	0.745	0.598	0.212	0.407	0.582	0.025	0.093	0.352	0.966	0.662
Compound_18	O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCCCCCCC[C@H]1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O	0.76	0.827	0.065	0.474	0.797	0.771	0.218	0.911	0.359	0.199	0.891
Compound_19	O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1OP(=O)(O)O)n1cnc2c1ncn1c2ncc1	0.74	0.607	0.016	0.437	0.661	0.652	0.13	0.006	0.454	0.525	0.413
Compound_20	OC(=O)[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)Cc1ccc(cc1)OS(=O)(=O)c1cccc2c1cccc2N(C)C	0.389	0.445	0.208	0.305	0.776	0.788	0.586	0.437	0.332	0.567	0.617
Compound_21	COC(=O)c1cc(ccc1C(C(=O)O)(C(=O)O)F)C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)NC(=O)C	0.466	0.722	0.015	0.439	0.561	0.85	0.982	0.534	0.431	0.047	0.358
Compound_22	O[C@@H]1[C@H](O)[C@H](C[C@H]1[n+]1cccc(c1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.17	0.715	0.056	0.547	0.634	0.65	0.011	0.099	0.377	0.151	0.65
Compound_23	OP(=O)([C@H](c1cccc2c1cccc2)C(=O)c1cc2ccccc2cc1C(=O)N(C1CCN(CC1)C(=O)c1ccc2c(c1)cccc2)C)O	0.317	0.691	0.026	0.389	0.764	0.73	0.53	0.169	0.452	0.035	0.321
Compound_24	CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)ccc(c2)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)N	0.192	0.47	0.013	0.289	0.703	0.659	0.741	0.39	0.366	0.545	0.518
Compound_25	CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@@H](N(C1=O)C)Cc1ccccc1)C(=O)O)C(=O)O	0.578	0.371	0.013	0.133	0.101	0.635	0.013	0.239	0.402	0.047	0.192
Compound_26	OC(=O)CCC[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@@H](C2=O)NC(=O)[C@@H]2N(C(=O)[C@@H](NC1=O)CCCN/C(=N\C(=O)C)/N)CCC2	0.544	0.273	0.004	0.26	0.356	0.654	0.08	0.563	0.365	0.007	0.299
Compound_27	OC[C@H]1OC[C@H](C1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)OCc1ccccc1)O)O)OCc1ccccc1	0.505	0.721	0.117	0.304	0.4	0.546	0.026	0.085	0.286	0.614	0.744
Compound_28	CCCCCC(=O)CP(=O)(O)O	0.706	0.106	0.046	0.334	0.358	0.288	0.927	0.135	0.444	0.679	0.3
Compound_29	Clc1ccc2c(c1Cl)CNCC2	0.138	0.217	0.649	0.326	0.081	0.278	0.0	0.714	0.437	0.135	0.027
Compound_30	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O[C@@]1(C[C@H](O)[C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)C(=O)O)O	0.182	0.628	-0.0	0.328	0.22	0.517	0.037	0.071	0.139	0.305	0.126
Compound_31	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)[C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O	0.107	0.652	0.011	0.373	0.106	0.322	0.006	0.019	0.395	0.192	0.062
Compound_32	O[S@](=O)c1ccccc1c1ccccc1	0.904	0.567	0.58	0.483	0.694	0.481	0.984	0.543	0.828	0.99	0.287
Compound_33	O=C(c1ccccc1)/C=C/C=C(/C(=O)O)\O	0.61	0.312	0.48	0.346	0.107	0.453	0.978	0.66	0.782	0.308	0.537
Compound_34	OC(P(=O)(O)O)P(=O)(O)O	0.397	0.152	0.005	0.243	0.6	0.243	0.092	0.002	0.704	0.072	0.226
Compound_35	N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C	0.547	0.672	0.776	0.684	0.69	0.698	0.908	0.7	0.682	0.141	0.419
Compound_36	CC[C@H]1CNCc2c1cc(cc2)NC(=O)c1ccc2c(c1)ccc(c2)C(=N)N	0.34	0.632	0.256	0.494	0.371	0.913	0.935	0.261	0.573	0.18	0.154
Compound_37	O[C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)CNCP(=O)(O)O	0.057	0.134	0.001	0.253	0.128	0.31	0.0	0.001	0.1	0.06	0.175
Compound_38	SC[C@@H](C(=O)NCC(=O)O)NC(=O)OCc1ccccc1	0.049	0.258	0.053	0.293	0.119	0.279	0.002	0.3	0.256	0.191	0.369
Compound_39	CCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCC)CO[P@](=O)(OCC[N+](C)(C)C)O	0.756	0.187	0.005	0.598	0.221	0.134	0.544	0.005	0.173	0.042	0.384
Compound_40	Fc1ccc(cc1F)C(n1nnc2c1cccc2)(Cc1ccc(cc1)C(P(=O)(O)O)(F)F)Cc1ccc(cc1)C(P(=O)(O)O)(F)F	0.417	0.544	0.645	0.465	0.936	0.594	0.899	0.807	0.627	0.322	0.58
Compound_41	COc1cc(O)c(cc1O)NC(=O)CCc1c(Cl)c(O)cc(c1C(=O)OC)O	0.53	0.665	0.736	0.523	0.713	0.622	0.983	0.035	0.404	0.487	0.125
Compound_42	Fc1ccc(c(c1)F)[C@]1(C)OC(=O)N(C1=O)Nc1ccccc1	0.417	0.676	0.812	0.706	0.454	0.688	0.85	0.984	0.406	0.539	0.38
Compound_43	CC(C[C@@H](C(=O)N[C@H]([C@@H](O)C)Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C	0.268	0.663	0.095	0.393	0.247	0.717	0.017	0.872	0.488	0.187	0.1
Compound_44	Oc1c(ncc2c1cccc2I)C(=O)NCC(=O)O	0.413	0.488	0.79	0.344	0.238	0.58	0.002	0.95	0.274	0.281	0.533
Compound_45	Cc1cccc(c1)c1cc2c([nH]1)ccc(c2)C(=N)N	0.749	0.688	0.984	0.57	0.735	0.796	0.986	0.963	0.843	0.487	0.5
Compound_46	Cc1ccccc1c1cc2c([nH]1)cc(cc2)C(=N)N	0.561	0.688	0.918	0.565	0.652	0.752	0.971	0.957	0.778	0.379	0.463
Compound_47	NC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](N1)CNC(=O)Nc1ccc(cc1)C(=O)OC	0.423	0.359	0.322	0.451	0.192	0.456	0.027	0.009	0.383	0.041	0.172
Compound_48	CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O	0.005	0.02	0.02	0.103	0.079	0.004	0.004	0.016	0.356	0.065	0.016
Compound_49	N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1OC(F)F)OC(=O)N1CCOCC1	0.248	0.559	0.043	0.304	0.107	0.203	0.059	0.767	0.393	0.11	0.422
Compound_50	Cc1ccccc1c1cc2c([nH]1)ccc(c2)C(=N)N	0.639	0.688	0.977	0.585	0.709	0.776	0.99	0.962	0.778	0.379	0.463
Compound_51	OC[C@H]1CN(CCCc2ccccc2)C[C@H]([C@@H]1O)O	0.04	0.325	0.009	0.15	0.008	0.041	0.002	0.024	0.091	0.01	0.004
Compound_52	Clc1ccc(cc1)[C@](c1cncn1C)(c1ccc2c(c1)c(cc(=O)n2C)c1cccc(c1)Cl)N	0.714	0.733	0.746	0.706	0.812	0.861	0.994	0.129	0.538	0.011	0.388
Compound_53	CN1CCN(CC1)CCOc1cc(OC2CCOCC2)c2c(c1)ncnc2Nc1c(Cl)ccc2c1OCO2	0.625	0.737	0.998	0.427	0.662	0.668	0.17	0.696	0.585	0.957	0.671
Compound_54	Brc1cnn2c1cc(cc2NCc1cncnc1)c1ccccc1	0.289	0.702	0.525	0.742	0.594	0.648	0.965	0.402	0.919	0.101	0.196
Compound_55	O=n1cccc(c1)CNc1cc(nc2n1ncc2Br)c1ccccc1C	0.549	0.647	0.305	0.577	0.631	0.659	0.87	0.876	0.398	0.537	0.654
Compound_56	O[C@@H]1[C@@H](COS(=O)(=O)/N=C(/[C@@H](N)C)\O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.676	0.523	0.128	0.44	0.083	0.264	0.012	0.425	0.318	0.027	0.551
Compound_57	SC[C@@H](C(=NS(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)N	0.664	0.523	0.093	0.456	0.242	0.42	0.012	0.227	0.351	0.037	0.57
Compound_58	CCCCCCCCC(P(=O)(O)O)(P(=O)(O)O)O	0.582	0.143	0.008	0.348	0.311	0.148	0.732	0.016	0.787	0.431	0.187
Compound_59	CCCCCCC(P(=O)(O)O)(P(=O)(O)O)O	0.412	0.143	0.008	0.348	0.193	0.138	0.808	0.016	0.668	0.431	0.187
Compound_60	O=C(Nc1ncc(s1)Sc1ccccn1)NCc1ncc([nH]1)c1ccc(cc1)OCC(=O)O	0.456	0.476	0.633	0.455	0.645	0.659	0.917	0.187	0.307	0.218	0.631
Compound_61	NCc1ccc2c(c1)C1(CCN(CC1)C(=O)c1ccc(o1)C#Cc1ccccc1)CO2	0.382	0.664	0.175	0.555	0.038	0.681	0.75	0.919	0.416	0.001	0.316
Compound_62	OP(=O)([C@H](S(=O)(=O)O)CCCc1cccc(c1)Oc1ccccc1)O	0.379	0.587	0.058	0.301	0.718	0.586	0.96	0.035	0.381	0.179	0.374
Compound_63	NNC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)S(=O)(=O)N	0.376	0.421	0.363	0.293	0.556	0.654	0.935	0.494	0.431	0.015	0.413
Compound_64	OC(=O)C[C@H]1OC(=C2C(=Cc3c(C2=O)c(O)ccc3)C1)C	0.832	0.57	0.241	0.377	0.729	0.835	0.244	0.677	0.053	0.92	0.112
Compound_65	SCCCS(=O)(=O)c1ccc(cc1)OCC#CC	0.433	0.443	0.291	0.588	0.312	0.715	0.734	0.387	0.387	0.681	0.18
Compound_66	C[C@H](c1ccc(cc1)c1ccc(cc1)[C@H](CNS(=O)(=O)C)C)CNS(=O)(=O)C	0.247	0.475	0.645	0.529	0.079	0.834	0.251	0.663	0.409	0.357	0.388
Compound_67	N#CCc1ccc(cc1)Nc1nc(NC)cc(n1)Nc1n[nH]c(c1)C1CC1	0.625	0.627	0.338	0.479	0.694	0.699	0.701	0.695	0.522	0.053	0.814
Compound_68	CN1CCC2(CC1)NC(=O)c1c([C@H]2C#N)c2ccc(c(c2n1C)Cl)Cl	0.711	0.603	0.45	0.247	0.426	0.628	0.959	0.563	0.498	0.062	0.618
Compound_69	CCCc1nn(c2c1nc([nH]c2=O)c1cc(sc1OCC)S(=O)(=O)N)C	0.623	0.609	0.008	0.275	0.584	0.646	0.06	0.336	0.548	0.073	0.157
Compound_70	NCCc1ccc(c(c1)CC)O	0.141	0.242	0.2	0.469	0.033	0.702	0.001	0.222	0.308	0.096	0.068
Compound_71	NCCc1ccc(c(c1)C1CCCCC1)O	0.37	0.323	0.133	0.472	0.138	0.941	0.008	0.288	0.35	0.014	0.183
Compound_72	CC[C@H](Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC)C	0.432	0.685	0.535	0.538	0.09	0.69	0.481	0.171	0.519	0.344	0.225
Compound_73	Cc1ccc2c(c1)N=C1[C@@](C2=O)(O)CCN1c1ccccc1	0.626	0.671	0.276	0.461	0.282	0.601	0.972	0.068	0.245	0.0	0.059
Compound_74	Cc1cccc2c1C(=O)[C@]1(C(=N2)N(CC1)c1ccccc1)O	0.601	0.671	0.233	0.474	0.236	0.461	0.603	0.06	0.255	0.0	0.059
Compound_75	O=C1c2ccccc2N=C2[C@@]1(O)CCN2c1ccccc1	0.605	0.663	0.233	0.461	0.339	0.53	0.769	0.071	0.24	0.001	0.094
Compound_76	c1ccc(cc1)Nc1c[nH]c2c1cccn2	0.371	0.819	0.716	0.541	0.393	0.852	0.01	0.847	0.942	0.701	0.787
Compound_77	N[C@H](C(=C1CCCC1)F)[C@@H](c1onc(n1)c1ccc(cc1Cl)S(=O)(=O)C)CC1CC1	0.375	0.529	0.655	0.673	0.703	0.668	0.286	0.856	0.42	0.586	0.303
Compound_78	COc1cccc(c1)Cc1c[nH]c2c1cccn2	0.261	0.715	0.887	0.592	0.293	0.736	0.01	0.368	0.472	0.77	0.628
Compound_79	Clc1ccc(nc1)NS(=O)(=O)c1ccccc1NC(=O)c1ccc(cc1)n1ccccc1=O	0.425	0.363	0.051	0.448	0.585	0.644	0.861	0.592	0.416	0.069	0.247
Compound_80	O=C(N1CCCC(C1)(C)C)c1cccc(n1)c1ccc(c(c1)F)C	0.865	0.715	0.555	0.724	0.412	0.76	0.107	0.651	0.527	0.363	0.074
Compound_81	O=C(Nc1ccc(cc1)OCc1ccccc1)CC[C@@H](C(=O)O)N	0.139	0.657	0.4	0.461	0.47	0.589	0.024	0.033	0.182	0.043	0.161
Compound_82	C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1N	0.452	0.517	0.838	0.506	0.55	0.65	0.003	0.766	0.431	0.11	0.057
Compound_83	Brc1ccc(c(c1)C(=O)N1CCC[C@@H]1Cc1ccccc1Cl)N	0.317	0.571	0.843	0.591	0.629	0.652	0.969	0.892	0.412	0.724	0.287
Compound_84	C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1NC(=O)CCC(=O)O	0.398	0.477	0.854	0.373	0.59	0.651	0.023	0.283	0.411	0.109	0.056
Compound_85	C[C@@H]1C[C@H](C)CN(C1)C(=O)c1cc(Br)ccc1NC(=O)CCC(=O)N1CCOCC1	0.403	0.467	0.968	0.575	0.595	0.651	0.124	0.595	0.411	0.774	0.114
Compound_86	O=C([C@@H](c1ccccc1)Cc1ccc(c(c1)Br)C(P(=O)(O)O)(F)F)c1ccccc1	0.663	0.491	0.142	0.399	0.624	0.721	0.993	0.54	0.415	0.973	0.71
Compound_87	N#C[C@@H]1c2c(C(=O)NC31CCNCC3)n(c1c2ccc(c1)Cl)C	0.63	0.543	0.223	0.386	0.549	0.616	0.854	0.277	0.446	0.011	0.627
Compound_88	O=N(=O)c1ccc(cc1)N1CCN([C@@H](C1)C)S(=O)(=O)c1ccc(cc1)C(C)(C)C	0.147	0.594	0.095	0.459	0.421	0.691	0.023	0.364	0.393	0.728	0.448
Compound_89	COCCNc1cc(ccc1C(=O)N)n1c2ccccc2c2c1CCCC2=O	0.382	0.669	0.038	0.349	0.855	0.676	0.735	0.035	0.289	0.002	0.572
Compound_90	Fc1ccc(c(c1)C[C@H](c1ccc(cc1)c1cccc(c1)C(=O)N)N)F	0.193	0.514	0.069	0.477	0.269	0.953	0.943	0.02	0.42	0.178	0.321
Compound_91	N[C@H](C(=O)O)Cc1ccc(cc1)CC(F)(F)F	0.088	0.178	0.012	0.318	0.067	0.05	0.225	0.294	0.098	0.0	0.058
Compound_92	OC[C@H]1O[C@@H](Oc2ccc(cc2N(=O)=O)N(=O)=O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)F	0.539	0.508	0.107	0.505	0.884	0.79	0.075	0.257	0.614	0.777	0.768
Compound_93	CC(C[C@@H](C(=O)N[C@H](P(=O)(O)O)Cc1c[nH]c2c1cccc2)NC(=O)c1ccco1)C	0.416	0.466	0.498	0.392	0.5	0.642	0.272	0.579	0.413	0.099	0.228
Compound_94	CCCC[C@@H](NC(=O)CCCCCCCCCCC)CO[P@](=O)(OCCO)O	0.201	0.12	0.007	0.356	0.045	0.215	0.014	0.041	0.328	0.026	0.137
Compound_95	FCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)C)CC(=O)O	0.174	0.381	0.05	0.362	0.049	0.092	0.004	0.976	0.39	0.303	0.275
Compound_96	ClCCN([P@@]1(=O)OCC[C@@H](N1)SCCS(=O)(=O)O)CCCl	0.163	0.338	0.036	0.468	0.689	0.483	0.002	0.949	0.387	0.228	0.528
Compound_97	Nc1nc(N)c2c(n1)n(CCOCP(=O)(O)O)cn2	0.505	0.598	0.099	0.368	0.329	0.381	0.002	0.066	0.636	0.565	0.39
Compound_98	O[C@@H](CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1)COc1cccc2c1cccn2	0.055	0.506	0.801	0.294	0.612	0.642	0.858	0.079	0.311	0.266	0.22
Compound_99	CN[C@H]1CN(C[C@@H]1OC)c1ccc2c(n1)n(cc(c2=O)C(=O)O)c1nccs1	0.757	0.571	0.002	0.224	0.231	0.686	0.05	0.296	0.313	0.027	0.635
Compound_100	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)NC(=O)c1cc(OC)cc(c1)OC)n1cnc2c1ncnc2NCc1cccc2c1cccc2	0.478	0.78	0.813	0.489	0.519	0.841	0.956	0.934	0.431	0.351	0.838
Compound_101	FCC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C	0.405	0.575	0.229	0.375	0.334	0.852	0.071	0.824	0.413	0.439	0.285
Compound_102	FCC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C	0.421	0.61	0.494	0.443	0.34	0.935	0.11	0.984	0.49	0.719	0.215
Compound_103	N[C@@H]1[C@@H]2CC[C@H]1c1c2c(ccc1)C(F)(F)F	0.405	0.538	0.44	0.53	0.207	0.241	0.091	0.399	0.241	0.808	0.435
Compound_104	O[C@H]1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.971	1.0	0.302	0.707	0.978	0.887	0.006	0.993	0.264	0.992	0.367
Compound_105	OC(=O)C1=NCCC1	0.071	0.275	0.136	0.23	0.017	0.061	0.105	0.468	0.226	0.005	0.161
Compound_106	c1cnc([nH]1)Nc1ccc(cc1)Nc1ccc(cc1)Nc1ncc[nH]1	0.884	0.707	0.46	0.549	0.426	0.798	0.525	0.754	0.814	0.782	0.746
Compound_107	Cc1ccc(cc1)S(=O)(=O)N=C(Nc1ccc(cc1)S(=O)(=O)N)O	0.155	0.251	0.032	0.181	0.425	0.391	0.021	0.386	0.299	0.006	0.123
Compound_108	O=C1C(=O)C2C1NCCCN2CCP(=O)(O)O	0.052	0.438	0.001	0.119	0.678	0.629	0.001	0.05	0.211	0.007	0.337
Compound_109	O=[S@](c1ccccc1O)CCCCP(=O)(O)O	0.47	0.425	0.103	0.423	0.665	0.499	0.413	0.01	0.397	0.577	0.238
Compound_110	CCC(=O)N(C1(CCN(CC1)CCc1ccccc1)c1ccccc1)c1ccccc1	0.465	0.648	0.061	0.137	0.321	0.92	0.07	0.073	0.217	0.058	0.299
Compound_111	OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)O	0.058	0.166	0.262	0.15	0.003	0.015	0.031	0.132	0.219	0.021	0.009
Compound_112	CC(=O)N[C@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O	0.549	0.65	0.009	0.348	0.53	0.528	0.984	0.095	0.448	0.221	0.271
Compound_113	Oc1cc2CC[C@H]3[C@H](c2cc1O)c1ccccc1CN3	0.551	0.483	0.397	0.315	0.407	0.312	0.046	0.157	0.371	0.017	0.16
Compound_114	Nc1nc(Sc2ccccc2)c2c(n1)n(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cn2	0.554	0.522	0.699	0.562	0.731	0.624	0.919	0.046	0.363	0.745	0.616
Compound_115	O=C(c1ccc2c(c1)ccc(c2)C(=N)N)Nc1ccc2c(c1)[C@@H](NCC2)C(C)C	0.423	0.532	0.585	0.477	0.368	0.92	0.972	0.331	0.595	0.001	0.052
Compound_116	NCCO/N=C/c1c2Cn3c(c2nc2c1cccc2)cc1c(c3=O)COC(=O)[C@]1(O)CC	0.787	0.779	0.136	0.467	0.423	0.653	0.214	0.543	0.383	0.017	0.747
Compound_117	CCCC[P@@](=O)(CCCN)O	0.08	0.118	0.004	0.216	0.612	0.26	0.0	0.003	0.377	0.025	0.261
Compound_118	CCCC[C@H](NC(=O)O[C@@H](C(C)C)Cc1ccccc1)C=O	0.14	0.258	0.292	0.4	0.031	0.369	0.013	0.681	0.272	0.023	0.027
Compound_119	C=CCOC(=O)N[C@H](C(=O)NCCCCOc1cccc(c1C(=O)OC)O)Cc1ccc(cc1)N(c1ccccc1C(=O)O)C(=O)C(=O)O	0.756	0.62	0.086	0.497	0.937	0.769	0.411	0.865	0.411	0.468	0.392
Compound_120	CCCC[C@H](NC(=O)OC1(CCCC1)Cc1ccccc1)C=O	0.218	0.385	0.074	0.395	0.052	0.632	0.027	0.874	0.252	0.043	0.059
Compound_121	COC(=O)C[C@@H]1C[C@H](NC1=O)COc1ccc(cc1)c1ccc(cc1)C(=N)NC(=O)OC	0.336	0.595	0.825	0.597	0.144	0.674	0.904	0.949	0.435	0.216	0.543
Compound_122	C=CC(=O)Nc1cc2c(ncnc2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F	0.952	0.606	0.977	0.497	0.905	0.761	0.79	0.969	0.244	0.981	0.918
Compound_123	OC(=O)COc1ccc(cc1P(=O)(O)O)C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)NC(=O)C	0.433	0.687	0.009	0.355	0.635	0.569	0.903	0.199	0.386	0.368	0.28
Compound_124	CCCCC[C@@](/C=C/[C@H]1[C@@H](O)C[C@@H]([C@@H]1CC=CCCCC(=O)O)O)(O)C	0.965	0.732	0.028	0.133	0.895	0.707	0.534	0.401	0.214	0.974	0.274
Compound_125	OCC1(CO)C/C/1=C/n1cnc2c1nc(N)[nH]c2=O	0.206	0.448	0.029	0.228	0.174	0.275	0.001	0.064	0.175	0.0	0.573
Compound_126	CN(CCNC(=O)c1cccc2c1nc1c(Br)cccc1c2N)C	0.172	0.479	0.284	0.199	0.618	0.579	0.26	0.688	0.456	0.012	0.167
Compound_127	C=CC[C@@H]1CN(C)CC[C@@]1(OC(=O)CC)c1ccccc1	0.117	0.5	0.069	0.168	0.03	0.037	0.001	0.679	0.157	0.057	0.2
Compound_128	COc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C	0.298	0.756	0.219	0.183	0.621	0.887	0.62	0.015	0.129	0.109	0.418
Compound_129	CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)C#N	0.622	0.595	0.559	0.49	0.86	0.699	0.969	0.658	0.451	0.909	0.815
Compound_130	CCC=CCC=CCC=CCC=CCC=CC=C[C@H](CCC(=O)O)O	0.468	0.065	0.326	0.163	0.533	0.223	0.859	0.401	0.138	0.796	0.13
Compound_131	CC(C[C@@H]([C@H](C[C@H](C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C)C)O)NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@H](C(=O)N1)C(C)C)C	0.574	0.477	0.084	0.312	0.075	0.263	0.002	0.122	0.407	0.185	0.082
Compound_132	Fc1ccc(cc1)CC1CCN(CC1)C(=O)C(=O)Nc1ccc2c(c1)oc(n2)O	0.261	0.539	0.954	0.648	0.684	0.645	0.895	0.906	0.331	0.804	0.313
Compound_133	CCCC/C(=C/C=C(C(=O)c1c(O)cc(oc1=O)CCC/C=C/NC(=O)OC)C)/C	0.66	0.483	0.406	0.484	0.524	0.688	0.01	0.942	0.646	0.122	0.594
Compound_134	O=c1[nH]c2c3ccc(cc3Cc2c2c1cccc2)S(=O)(=O)NCCCN1CCOCC1	0.561	0.559	0.023	0.197	0.37	0.598	0.021	0.522	0.309	0.022	0.305
Compound_135	OCCN1CCN(CC1)C(=O)N1[C@H](c2ccc(cc2)Br)[C@@H](N=C1c1ccc(cc1OCC)OC)c1ccc(cc1)Br	0.505	0.489	0.943	0.41	0.316	0.649	0.051	0.769	0.403	0.016	0.279
Compound_136	COc1cc2cnc3c(c2cc1OC)Cc1c3cc2c(c1)OCO2	0.306	0.688	0.973	0.637	0.441	0.621	0.084	0.972	0.314	0.43	0.978
Compound_137	ONC(=O)CCCP(=O)(O)O	0.103	0.06	0.204	0.289	0.351	0.277	0.048	0.019	0.349	0.007	0.435
Compound_138	O=C1CC[C@@]2([C@@]3(C1)CCN([C@@H]2Cc1c3c(O)c(cc1)C(=O)N)CC1CC1)O	0.623	0.611	0.001	0.295	0.454	0.671	0.706	0.089	0.225	0.141	0.235
Compound_139	FC(c1ccc2c(c1)[C@H]1CNC[C@@H]2C1)(F)F	0.052	0.469	0.142	0.417	0.047	0.121	0.022	0.059	0.432	0.387	0.205
Compound_140	CCCCNc1cc(C)nc2n1nc(n2)Nc1cc(Cl)ccc1C	0.378	0.61	0.813	0.411	0.509	0.785	0.164	0.943	0.385	0.753	0.375
Compound_141	O=C1O[C@@H]2[C@@]([C@@H]1C)(O)[C@@]13[C@]4([C@H]2O)[C@H](OC3=O)[C@@H]([C@H]([C@@]24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C)O	0.545	0.227	0.013	0.528	0.744	0.652	0.635	0.432	0.361	0.122	0.561
Compound_142	CCCCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O	0.157	0.463	0.027	0.268	0.111	0.239	0.025	0.045	0.332	0.231	0.018
Compound_143	CC[C@H]1O[C@@]2([C@@H]([C@@]1(C)O[C@H]([C@@H]2O)/C=C/C=C/C=C/c1oc(=O)cc(c1C)OC)OC(=O)C)C	0.819	0.776	0.044	0.598	0.833	0.904	0.975	0.921	0.858	0.627	0.964
Compound_144	Nc1[nH]nc2c1cc(nn2)c1c(nn2c1cccc2)c1ccccc1	0.342	0.709	0.919	0.709	0.683	0.685	0.838	0.341	0.731	0.156	0.241
Compound_145	Clc1ccc(cc1)C1=C(O)C(=Cc2cccc3c2cccc3)OC1=O	0.648	0.571	0.846	0.664	0.971	0.963	0.995	0.698	0.846	0.696	0.86
Compound_146	Clc1ccc2c(c1)C(=Cc1c([C@H]2C2CCN(CC2)S(=O)(=O)C)nccc1)N1CCNCC1	0.519	0.517	0.055	0.177	0.204	0.569	0.013	0.822	0.376	0.247	0.408
Compound_147	CC[C@H](C(=O)O)Cc1ccc(c(c1)CNC(=O)c1ccc(cc1F)C(F)(F)F)OC	0.595	0.683	0.168	0.353	0.534	0.955	0.867	0.714	0.352	0.044	0.365
Compound_148	OCC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC([C@@H]1C(=O)NO)(C)C	0.199	0.534	0.26	0.476	0.208	0.668	0.011	0.339	0.377	0.041	0.459
Compound_149	CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N	0.41	0.564	0.975	0.499	0.697	0.765	0.156	0.314	0.396	0.352	0.643
Compound_150	Fc1ccc(c(c1)C1=C[C@H](N(C1)C(=O)N(C)C)c1ccccc1)F	0.193	0.714	0.744	0.642	0.137	0.754	0.711	0.36	0.542	0.658	0.201
Compound_151	Clc1ccc(cc1)Cc1nc2c3CCCCc3ccc2c(c1O)C(=O)O	0.529	0.48	0.738	0.386	0.885	0.67	0.975	0.694	0.464	0.354	0.356
Compound_152	Clc1ccc2c(c1)c(cs2)[C@H](P(=O)(O)O)C(=O)Nc1ccc2c(c1)cccc2	0.535	0.566	0.865	0.531	0.777	0.643	0.997	0.136	0.718	0.898	0.5
Compound_153	Cc1cccc(c1Nc1ncc(n2c1cnc2)c1ccccc1)C	0.344	0.746	0.468	0.632	0.639	0.762	0.989	0.828	0.925	0.265	0.314
Compound_154	OCCN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.065	0.497	0.131	0.293	0.684	0.25	0.531	0.082	0.058	0.045	0.18
Compound_155	O=C(Nc1ccccc1C(=O)O)CNc1cc(Cl)c(cc1C(=O)C)F	0.278	0.476	0.764	0.293	0.811	0.391	0.255	0.645	0.424	0.352	0.264
Compound_156	NCCCNc1ccc(cc1N(=O)=O)C	0.723	0.226	0.914	0.478	0.507	0.059	0.04	0.824	0.551	0.029	0.565
Compound_157	C[C@@]1(CSC(=N1)c1cccc(c1O)OCCOCCOCCOC)C(=O)O	0.27	0.712	0.022	0.375	0.413	0.147	0.384	0.051	0.329	0.014	0.584
Compound_158	N#Cc1cccc(c1)[C@@H]([C@@H](NC(=O)C(Oc1ccc(cn1)C(F)(F)F)(C)C)C)Cc1ccc(cc1)Cl	0.52	0.533	0.036	0.389	0.519	0.549	0.558	0.907	0.211	0.38	0.402
Compound_159	CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(c(c1)C)OCC(=O)O	0.222	0.599	0.361	0.496	0.657	0.708	0.733	0.785	0.234	0.856	0.808
Compound_160	N#Cc1ccc(cc1C(F)(F)F)NC(=O)[C@@]1(C)NN=C(C1)C(F)(F)F	0.598	0.589	0.882	0.657	0.675	0.485	0.93	0.985	0.418	0.004	0.762
Compound_161	O=C([C@H](NC(=O)C1(CCCC1)NC(=O)c1cc2c(s1)cc(cc2)C)Cc1ccccc1)NCC1CCN(CC1)CC1CCOCC1	0.79	0.586	0.841	0.307	0.54	0.697	0.996	0.647	0.418	0.065	0.686
Compound_162	OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)NC(=O)C(Br)Br	0.13	0.382	0.088	0.314	0.55	0.449	0.002	0.045	0.361	0.267	0.124
Compound_163	CCc1ccc(o1)C=C1SC(=NC1=O)N[C@H](c1nn[nH]n1)c1ccc(cc1)F	0.561	0.533	0.397	0.359	0.211	0.715	0.729	0.426	0.433	0.171	0.468
Compound_164	OCCNC(=O)CN1C(=O)[C@@H](NC(=O)c2cc3c([nH]2)sc(c3)Cl)Cc2c1cccc2	0.777	0.478	0.199	0.241	0.543	0.681	0.735	0.234	0.359	0.729	0.583
Compound_165	COC(=O)c1c(Cl)cccc1c1ccc(c(c1)F)[C@H](NC(=O)C1(CC1)NC(=O)C(F)(F)F)C	0.17	0.655	0.345	0.489	0.594	0.657	0.479	0.169	0.408	0.135	0.446
Compound_166	Cc1cc(c2c(c1)c(=O)c(c(o2)c1ccc(c(c1)O)O)O)N1CCCS1(=O)=O	0.709	0.742	0.513	0.68	0.626	0.718	0.443	0.993	0.396	0.085	0.366
Compound_167	N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(cc1F)F)N1CCn2c(C1)nnc2C(F)(F)F	0.302	0.584	0.032	0.295	0.451	0.776	0.895	0.938	0.431	0.013	0.077
Compound_168	COc1ccc(cn1)c1ncnc(c1)N1C[C@@H]([C@H](C1)c1cc(F)c(cc1F)F)N	0.462	0.559	0.855	0.531	0.437	0.584	0.974	0.842	0.397	0.013	0.103
Compound_169	CCCOc1ccc(cc1)c1csc(c1CC(=O)N=C(N)N)c1ccccc1Cl	0.168	0.543	0.266	0.62	0.747	0.938	0.965	0.401	0.57	0.013	0.441
Compound_170	O=c1cc(CCc2ccc3c(c2)[nH]cc3)nc([nH]1)N	0.24	0.651	0.765	0.455	0.282	0.685	0.009	0.659	0.695	0.005	0.607
Compound_171	COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)OC	0.37	0.732	0.903	0.519	0.266	0.611	0.05	0.702	0.328	0.056	0.366
Compound_172	O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccn2)N[C@@H]1CC[C@H](CN(C1=O)CC(F)(F)F)c1cccc(c1F)F	0.6	0.551	0.233	0.486	0.677	0.566	0.271	0.943	0.401	0.029	0.1
Compound_173	CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)NO	0.498	0.448	0.148	0.314	0.364	0.532	0.003	0.094	0.4	0.22	0.543
Compound_174	O=C(c1ccc(cc1)/C=C/c1cnc2c(c1)cccc2)Nc1cc(n(c1)C)C(=O)Nc1cc(n(c1)C)C(=O)NCCN1CCOCC1	0.631	0.653	0.813	0.36	0.831	0.555	0.986	0.279	0.423	0.23	0.547
Compound_175	Clc1cc(cnc1Cl)N1C[C@@H]2[C@H](C1)CN2	0.064	0.481	0.121	0.263	0.196	0.388	0.031	0.268	0.869	0.028	0.256
Compound_176	CN(CCNC(=O)c1csc(n1)NC(=O)c1ccc2c(c1)c1[C@@H](C)CNC(=O)c1[nH]2)C	0.669	0.593	0.165	0.243	0.393	0.692	0.72	0.924	0.305	0.131	0.398
Compound_177	Brc1cnn2c1nc(cc2NCc1ccncc1)c1ccccc1	0.364	0.702	0.317	0.653	0.632	0.666	0.905	0.471	0.522	0.101	0.196
Compound_178	Clc1c(Cl)cccc1c1cc(NCc2ccncc2)n2c(n1)ccn2	0.377	0.699	0.709	0.766	0.527	0.616	0.89	0.603	0.447	0.064	0.185
Compound_179	Brc1cnn2c1nc(cc2NCc1cccnc1)c1ccccc1	0.487	0.702	0.251	0.63	0.632	0.666	0.905	0.46	0.492	0.101	0.196
Compound_180	c1ccc(cc1)c1cc(NCc2cccnc2)n2c(n1)c(cn2)C1CC1	0.487	0.711	0.077	0.755	0.644	0.687	0.876	0.126	0.437	0.043	0.34
Compound_181	OCc1cnn2c1nc(cc2NCc1cccnc1)c1ccccc1	0.46	0.639	0.092	0.749	0.576	0.684	0.485	0.298	0.273	0.058	0.668
Compound_182	COc1cc(OC)c(c(c1)OC)/C=C/S(=O)(=O)Cc1ccc(c(c1)OP(=O)(O)O)OC	0.639	0.739	0.732	0.578	0.557	0.388	0.911	0.292	0.402	0.916	0.466
Compound_183	NCCOc1c(Cl)cc(cc1Cl)C(=O)Nc1cccc(c1)OC(C)C	0.857	0.623	0.934	0.723	0.799	0.689	0.129	0.24	0.374	0.012	0.171
Compound_184	Clc1cccc(c1)[C@@H](Oc1cccc2c1c(N)nc(n2)N)C	0.365	0.673	0.833	0.532	0.928	0.78	0.898	0.674	0.48	0.709	0.786
Compound_185	Nc1nc(N)c2c(n1)cccc2OCC1CCN(CC1)Cc1ccccc1F	0.18	0.433	0.738	0.316	0.926	0.793	0.114	0.156	0.547	0.644	0.895
Compound_186	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)N1CCOCC1)OCO2	0.72	0.626	0.976	0.421	0.538	0.63	0.345	0.944	0.511	0.705	0.706
Compound_187	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)C)OCO2	0.695	0.472	0.933	0.524	0.548	0.644	0.424	0.783	0.423	0.855	0.589
Compound_188	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)S(=O)(=O)N)OCO2	0.671	0.331	0.109	0.227	0.536	0.646	0.374	0.035	0.45	0.1	0.557
Compound_189	N#Cc1cc(cc(c1)Cl)Oc1cc(ccc1Cl)OCc1n[nH]c2c1cccc2	0.773	0.673	0.992	0.655	0.756	0.662	0.968	0.926	0.604	0.333	0.959
Compound_190	ONC(=O)[C@H]([C@H](O)C)NC(=O)c1ccc(cc1)C#Cc1ccc(cc1)CN1CCOCC1	0.094	0.564	0.309	0.269	0.108	0.864	0.281	0.008	0.281	0.56	0.527
Compound_191	Cc1ccc(c(c1)Cc1nn(c2c1c(N)ncn2)C(C)(C)C)C	0.347	0.602	0.939	0.561	0.333	0.819	0.708	0.975	0.916	0.047	0.252
Compound_192	Oc1cccc(c1)Cc1nn(c2c1c(N)ncn2)C(C)(C)C	0.41	0.612	0.919	0.563	0.448	0.811	0.381	0.96	0.723	0.409	0.661
Compound_193	COC1=CC(=NC1=Cc1[nH]c(cc1C)C)c1cc2c([nH]1)cccc2	0.677	0.707	0.959	0.563	0.714	0.697	0.925	0.629	0.77	0.373	0.953
Compound_194	BrCCNP(=O)(NCCBr)OCc1cnc(n1C)N(=O)=O	0.333	0.434	0.1	0.347	0.509	0.547	0.001	0.848	0.546	0.082	0.535
Compound_195	COC(=O)c1cncn1[C@@H](c1ccc(cc1)I)C	0.134	0.597	0.159	0.662	0.155	0.499	0.002	0.049	0.567	0.074	0.423
Compound_196	CCCn1c(=O)c2[nH]c(nc2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F	0.461	0.653	0.165	0.487	0.44	0.704	0.804	0.124	0.461	0.012	0.216
Compound_197	Clc1ccc(c(c1)Cl)Oc1ccc(cc1O)Cc1ccccn1	0.319	0.558	0.723	0.686	0.341	0.731	0.188	0.931	0.594	0.731	0.942
Compound_198	CC(=O)C1=C(O)N2[C@H](C1=O)[C@H]1c3c[nH]c4c3c(C[C@H]1C2(C)C)ccc4	0.726	0.652	0.645	0.2	0.424	0.645	0.58	0.439	0.278	0.762	0.789
Compound_199	CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@@H]2[C@H]1O[C@H](O2)/C=C/c1ccccc1)COP(=O)(O)O	0.635	0.716	0.91	0.506	0.427	0.653	0.093	0.289	0.425	0.084	0.408
Compound_200	NCc1c(c(C#N)cc2c1n(C)cn2)c1ccccc1Cl	0.4	0.633	0.439	0.793	0.652	0.617	0.979	0.223	0.729	0.108	0.742
Compound_201	COc1ccc2c(c1)S(=O)(=O)N=C(N2)c1c(O)c(nn(c1=O)CCC(C)C)c1ccccc1	0.653	0.549	0.966	0.665	0.513	0.662	0.48	0.987	0.127	0.734	0.263
Compound_202	O=C1CCCCc2cnn3c2nc(Nc2cc(N1)ccc2)nc3NC1CC1	0.607	0.518	0.804	0.603	0.382	0.681	0.449	0.694	0.572	0.052	0.462
Compound_203	N#Cc1cccc(c1)NC(=O)c1ccc(cc1)c1cc(ccc1C)c1nnc(o1)C	0.539	0.623	0.963	0.826	0.74	0.65	0.994	0.894	0.511	0.163	0.84
Compound_204	O=C(c1cn2c(s1)cc(=O)n(c2=O)Cc1ccccc1)OCc1ccccc1	0.548	0.592	0.536	0.529	0.079	0.984	0.987	0.035	0.511	0.241	0.702
Compound_205	C[C@@H](OC(=O)[C@@H](N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C	0.645	0.69	0.432	0.44	0.595	0.649	0.993	0.429	0.392	0.072	0.624
Compound_206	COC[C@H]1OC(=O)/C(=C/N(CC=C)CC=C)/C2=C(C(=O)C3=C([C@@]12C)[C@H](OC(=O)C)C[C@]1([C@H]3CCC1=O)C)O	0.717	0.92	0.091	0.23	0.298	0.732	0.086	0.879	0.359	0.365	0.31
Compound_207	COC(=O)[C@@]1(Cc2ccc(cc2)OCc2cc(C)nc3c2cccc3)C[C@@H]1C(=O)NO	0.485	0.734	0.843	0.537	0.943	0.893	0.715	0.891	0.408	0.014	0.46
Compound_208	N#CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1cc(OC)c(c2)OS(=O)(=O)N	0.72	0.717	0.034	0.267	0.714	0.891	0.608	0.141	0.266	0.04	0.531
Compound_209	Clc1ccc(cc1c1cc(C)c2c(c1)nnc(n2)Nc1ccc(cc1)OCCN1CCCC1)OC(=O)c1ccccc1	0.378	0.575	0.97	0.466	0.735	0.709	0.999	0.714	0.428	0.186	0.554
Compound_210	O=C1CNC(=O)[C@H](NC(=O)[C@H](Cc2ccc(cc2)O)N)C(C)(C)SSC([C@@H](NC(=O)[C@@H](N1)Cc1ccccc1)C(=O)O)(C)C	0.565	0.636	0.0	0.299	0.519	0.748	0.042	0.007	0.33	0.388	0.536
Compound_211	OC(=O)CCON=C1c2ccccc2c2c1cccc2	0.612	0.578	0.669	0.318	0.642	0.858	0.989	0.224	0.375	0.045	0.747
Compound_212	CSCC[C@@H]([P@@H](=O)O)N	0.069	0.065	0.005	0.242	0.465	0.22	0.002	0.002	0.319	0.187	0.38
Compound_213	ONC(=O)[C@H](C(=O)N[C@H](C(=O)NCC(=O)Nc1ccc(cc1)N(=O)=O)C)Cc1ccccc1	0.519	0.471	0.902	0.409	0.208	0.848	0.123	0.515	0.394	0.76	0.514
Compound_214	CCC(CCCO[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=C/C=C/1\C[C@@H](O)C[C@@H](C1=C)O)C)(CC)O	0.893	0.98	0.223	0.733	0.923	0.92	0.367	0.991	0.519	0.963	0.958
Compound_215	O[C@H]1C[C@H](O)C(=C)/C(=C/C=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](OCCC(O)(C)C)C)C)/C1	0.928	0.99	0.56	0.716	0.938	0.94	0.447	0.991	0.464	0.903	0.918
Compound_216	Nc1ccc(cn1)/C=C/C(=O)N(Cc1cc2c(n1C)cccc2)C	0.407	0.649	0.995	0.616	0.113	0.809	0.289	0.786	0.309	0.023	0.096
Compound_217	Cc1cc(/C=C/c2ccccc2)cc(c1O)C	0.825	0.602	0.692	0.647	0.628	0.982	0.031	0.964	0.952	0.988	0.9
Compound_218	NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)[C@@H](NC(=O)C(N)(C)C)Cc1c[nH]cn1	0.624	0.537	0.005	0.356	0.384	0.747	0.991	0.497	0.462	0.015	0.529
Compound_219	CNCC(=O)OCc1cccnc1N(C(=O)O[C@@H]([n+]1cnn(c1)C[C@](c1cc(F)ccc1F)([C@H](c1scc(n1)c1ccc(cc1)C#N)C)O)C)C	0.686	0.719	0.133	0.626	0.601	0.717	0.998	0.895	0.379	0.908	0.628
Compound_220	CN(CCCCSC(=N)N)C	0.059	0.215	0.002	0.152	0.048	0.269	0.002	0.031	0.382	0.346	0.244
Compound_221	CCCCP(=O)(O)O	0.623	0.033	0.04	0.342	0.429	0.173	0.988	0.058	0.839	0.386	0.212
Compound_222	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1OS(=O)(=O)O)O)NC(=O)C	0.137	0.472	0.0	0.166	0.056	0.338	0.002	0.339	0.192	0.138	0.412
Compound_223	NCCCCNCCCN[C@H]1CC[C@]2([C@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)OS(=O)(=O)O)C)C)O)C	0.197	0.759	-0.0	0.142	0.406	0.663	0.003	0.119	0.133	0.102	0.5
Compound_224	CC(Cn1c(C)nc2c1c1ncccc1nc2N)C	0.318	0.572	0.091	0.412	0.685	0.645	0.096	0.214	0.685	0.44	0.14
Compound_225	CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F	0.123	0.674	0.414	0.455	0.675	0.776	0.892	0.362	0.383	0.494	0.151
Compound_226	C1NCc2c3N(C1)C[C@@H]1CCC[C@@H]1c3ccc2	0.555	0.426	0.008	0.35	0.162	0.29	0.0	0.187	0.511	0.011	0.053
Compound_227	OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2[C@H](Cl)CC2=CC(=O)C=C[C@]12C	0.967	1.0	0.484	0.966	0.914	0.924	0.186	0.227	0.076	0.015	0.097
Compound_228	CCCc1c(ncn2c1nc(n2)C)Cn1ccnc1c1ncccc1F	0.538	0.785	0.249	0.566	0.623	0.646	0.785	0.115	0.602	0.079	0.106
Compound_229	OC[C@H](C(C(F)(F)F)C(F)(F)F)NS(=O)(=O)c1ccc(s1)Cl	0.155	0.397	0.073	0.363	0.62	0.616	0.36	0.555	0.296	0.008	0.441
Compound_230	COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C	0.488	0.705	0.903	0.682	0.569	0.839	0.976	0.574	0.554	0.3	0.201
Compound_231	CC[C@@H](CC([C@@]1(O)CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)(F)F)C	0.712	0.669	0.082	0.467	0.905	0.512	0.93	0.806	0.13	0.603	0.198
Compound_232	OCCN(S(=O)(=O)C)c1cc2oc(c(c2cc1C1CC1)C(=O)NC)c1ccc(cc1)F	0.496	0.704	0.422	0.682	0.566	0.648	0.421	0.324	0.422	0.193	0.568
Compound_233	O[C@@H](COc1cc(CCC(=O)O)cc(c1F)F)CNC(CC1Cc2c(C1)cccc2)(C)C	0.108	0.749	0.364	0.339	0.317	0.263	0.814	0.552	0.366	0.059	0.087
Compound_234	OC[C@H]([C@H]1O[C@](C[C@H]([C@H]1O)O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=N)nc1O)O)C(=O)O)O	0.652	0.518	0.079	0.347	0.321	0.296	0.117	0.029	0.197	0.251	0.532
Compound_235	O=C[C@@H]1CCN2N1C(=O)[C@](CC2)(N)Cc1ccccc1	0.302	0.478	0.012	0.348	0.01	0.529	0.001	0.039	0.445	0.011	0.109
Compound_236	O=C(N[C@H](P(=O)(O)O)c1ccc(cc1)C(=N)N)OCc1ccccc1	0.275	0.645	0.156	0.357	0.372	0.665	0.134	0.22	0.583	0.008	0.231
Compound_237	OC(=O)/C=C/c1cccc(n1)/C(=C\CN1CCCC1)/c1ccc(cc1)C	0.246	0.627	0.025	0.346	0.657	0.882	0.359	0.21	0.471	0.074	0.124
Compound_238	O[C@@H](CN1CCN(CC1)c1ccccn1)COc1ccc(cc1)C1CCCCC1	0.054	0.445	0.009	0.139	0.276	0.337	0.023	0.484	0.309	0.191	0.237
Compound_239	Clc1cc(c(cc1c1cc(Cl)c(cc1Cl)S(=O)(=O)C)Cl)S(=O)(=O)C	0.869	0.652	0.918	0.703	0.729	0.701	0.754	0.776	0.42	0.982	0.243
Compound_240	CCN(c1ccc(c(c1)O)C=C(C(=O)O)C)CC	0.551	0.647	0.367	0.45	0.867	0.125	0.322	0.502	0.408	0.354	0.79
Compound_241	O[C@@H]1CS[C@H]([C@@H]([C@H]1O)O)Oc1ccc2c(c1)oc(=O)cc2C	0.56	0.518	0.568	0.534	0.877	0.364	0.248	0.345	0.416	0.099	0.393
Compound_242	OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F	0.518	0.854	0.92	0.72	0.624	0.652	0.696	0.971	0.36	0.045	0.682
Compound_243	O=C([C@H](Cc1c[nH]cn1)N)O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O	0.709	0.553	0.111	0.525	0.571	0.65	0.08	0.245	0.415	0.031	0.525
Compound_244	CCCCC[C@H]1O[C@H](C[C@@H]1SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O	0.195	0.47	0.002	0.452	0.374	0.307	0.037	0.57	0.184	0.03	0.131
Compound_245	OC(=O)C[C@@H](C(=O)O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)N	0.707	0.553	0.015	0.408	0.145	0.369	0.011	0.042	0.427	0.031	0.538
Compound_246	C[C@H]([C@@H](c1nccs1)N)O	0.093	0.446	0.034	0.426	0.115	0.499	0.009	0.185	0.33	0.185	0.544
Compound_247	N[C@@H]1[C@@H](CO[P@](=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.763	0.639	0.022	0.504	0.114	0.594	0.012	0.041	0.443	0.102	0.5
Compound_248	CC[C@@H]([C@@H](/C(=N/S(=O)(=O)NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)/O)N)C	0.565	0.521	0.098	0.429	0.15	0.381	0.032	0.726	0.389	0.034	0.443
Compound_249	O[C@@H]1[C@H](O)[C@H](O[C@@H]1n1cnc2c1cnc(n2)N)COP(=O)(O)O	0.58	0.599	0.12	0.556	0.134	0.283	0.006	0.006	0.299	0.155	0.555
Compound_250	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)OS(=O)(=O)O)OS(=O)(=O)O	0.646	0.481	0.004	0.285	0.134	0.523	0.016	0.819	0.161	0.099	0.281
Compound_251	NCC(=O)N[C@H](C(=O)O)CCCCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.071	0.348	-0.0	0.085	0.387	0.054	0.001	0.008	0.219	0.003	0.168
Compound_252	CSC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1nc[nH]c2=O	0.55	0.557	0.005	0.302	0.304	0.623	0.048	0.264	0.114	0.001	0.145
Compound_253	OC(=O)C1=CN=C(CS[C@H]1c1cn2c(n1)sc1c2CCC1)C(=O)O	0.665	0.621	0.114	0.27	0.46	0.653	0.071	0.043	0.406	0.048	0.611
Compound_254	OCN([C@@H](C(=O)O)CCCN1C(=O)N[C@]2(C1=O)O[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)O)O	0.379	0.376	0.001	0.235	0.33	0.415	0.004	0.041	0.205	0.017	0.514
Compound_255	OC(=O)CCC1c2ccc(cc2Oc2c1ccc(c2)O)O	0.78	0.568	0.263	0.389	0.969	0.806	0.972	0.021	0.383	0.522	0.056
Compound_256	OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1	0.614	0.618	0.279	0.263	0.769	0.897	0.611	0.671	0.418	0.023	0.404
Compound_257	Clc1ccc(c(c1)C(=O)Nc1cc(Br)c(c(c1)Br)O)Cl	0.939	0.704	0.987	0.81	0.674	0.653	0.927	0.967	0.547	0.984	0.967
Compound_258	CO[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1S[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)O)O)O)O	0.441	0.428	0.036	0.364	0.349	0.36	0.26	0.107	0.592	0.343	0.107
Compound_259	C=CCN(C(=O)c1cc(OCCCON=C(N)N)cc(c1)Cl)C1CCCC1	0.215	0.539	0.624	0.648	0.263	0.795	0.057	0.811	0.354	0.482	0.382
Compound_260	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)c3n([C@@H]2CO)ccn3)[C@@H]([C@H]([C@@H]1O)O)O	0.356	0.541	0.046	0.321	0.373	0.481	0.001	0.009	0.431	0.598	0.56
Compound_261	O=C(NCC(=O)C)OCc1ccccc1	0.109	0.23	0.877	0.278	0.022	0.107	0.004	0.826	0.439	0.035	0.063
Compound_262	O=C[C@@H]([C@@H](COP(=O)(O)O)O)O	0.348	0.169	0.005	0.283	0.081	0.31	0.034	0.004	0.33	0.008	0.16
Compound_263	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[P@@](=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCC=CCCCCCCCC	0.873	0.257	0.015	0.594	0.5	0.124	0.561	0.501	0.209	0.115	0.398
Compound_264	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CO[P@@](=O)(OCCN)O	0.712	0.121	0.005	0.463	0.163	0.104	0.165	0.001	0.217	0.013	0.096
Compound_265	CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(OC[C@H](CO)O)O	0.867	0.226	0.005	0.575	0.261	0.204	0.867	0.008	0.176	0.657	0.174
Compound_266	CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](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_267	Fc1ccccc1c1cc(NCc2ccncc2)n2c(n1)ccn2	0.373	0.699	0.469	0.774	0.642	0.672	0.901	0.424	0.45	0.022	0.217
Compound_268	Clc1ccc2c(c1)c(N[C@@H]1CN3CCC1CC3)c(c(=O)[nH]2)c1nc2c([nH]1)cccc2	0.567	0.709	0.717	0.232	0.539	0.787	0.391	0.325	0.378	0.02	0.155
Compound_269	N#CSc1cnn2c1nc(cc2NCc1ccncc1)c1cccc(c1Cl)Cl	0.392	0.579	0.741	0.799	0.59	0.627	0.913	0.724	0.504	0.079	0.614
Compound_270	CNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(Cl)cc2	0.623	0.714	0.843	0.547	0.606	0.68	0.814	0.807	0.773	0.926	0.929
Compound_271	N=C1NC(=O)C(=Cc2ccccn2)S1	0.278	0.432	0.299	0.414	0.046	0.456	0.002	0.693	0.398	0.028	0.314
Compound_272	N#CCC1C=CC(=Nc2nc(Nc3n[nH]c(c3)C3CC3)c3c(n2)cccc3)C=C1	0.589	0.647	0.518	0.506	0.742	0.715	0.161	0.251	0.593	0.008	0.788
Compound_273	F[C@@H]1C[C@H](CC(=C1)C(=O)Nc1ccc(c(c1)COc1cccnc1)Cl)N1CCOCC1	0.466	0.713	0.922	0.441	0.384	0.601	0.29	0.528	0.427	0.895	0.419
Compound_274	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2NCc1ccccc1)CO[P@](=O)(OP(=O)(O)O)O	0.361	0.745	0.108	0.63	0.242	0.624	0.023	0.053	0.495	0.731	0.44
Compound_275	Fc1ccccc1c1nc(NCc2cccnc2)c2n(c1)ccn2	0.337	0.7	0.56	0.741	0.706	0.712	0.927	0.421	0.629	0.146	0.237
Compound_276	CCc1cnn2c1nc(cc2NCc1cnc(nc1)N)c1c(F)cccc1F	0.462	0.682	0.536	0.707	0.666	0.667	0.938	0.538	0.405	0.175	0.59
Compound_277	CCOC(=O)c1c(C(=CN)C#N)c2c(n1C)c(Cl)c(cc2)Cl	0.513	0.657	0.867	0.488	0.559	0.576	0.194	0.851	0.5	0.492	0.883
Compound_278	NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)c1cccc(c1)F	0.505	0.539	0.496	0.577	0.416	0.576	0.019	0.858	0.467	0.019	0.163
Compound_279	NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2	0.17	0.384	0.618	0.256	0.308	0.814	0.573	0.379	0.339	0.044	0.104
Compound_280	Cc1cc(Br)c(c(c1)c1cc2c([nH]1)ccc(c2)C(=N)N)O	0.753	0.705	0.959	0.513	0.7	0.661	0.857	0.952	0.729	0.744	0.697
Compound_281	Oc1c(cccc1c1cc2c([nH]1)ccc(c2)C(=N)N)OC1CCCC1	0.735	0.567	0.667	0.61	0.878	0.692	0.741	0.954	0.246	0.575	0.646
Compound_282	N#Cc1cc(cc(c1)Cl)Oc1c(Br)ccc(c1F)Cc1n[nH]c2c1ccnn2	0.77	0.646	0.945	0.59	0.691	0.653	0.949	0.631	0.47	0.783	0.851
Compound_283	O=Cc1c(COP(=O)(O)O)cn(=O)c(c1O)C	0.269	0.292	0.006	0.281	0.28	0.511	0.178	0.001	0.464	0.02	0.552
Compound_284	O=C[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)NC(=O)C(=NOC)c1csc(n1)N	0.318	0.371	0.008	0.19	0.169	0.541	0.003	0.053	0.131	0.082	0.524
Compound_285	O[C@H](Nc1ccc(cc1)N1C(=O)CCC1=O)CCC(=O)O	0.487	0.35	0.155	0.241	0.19	0.249	0.001	0.025	0.261	0.003	0.086
Compound_286	S[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O	0.505	0.351	0.003	0.254	0.239	0.236	0.214	0.001	0.501	0.087	0.436
Compound_287	O[C@@H]1Cc2c([C@H]([C@@H]1O)O)ccc1c2c2ccccc2cc1	0.343	0.651	0.811	0.465	0.902	0.894	0.281	0.231	0.543	0.335	0.189
Compound_288	CC(C[C@@H](C(=O)O)C[C@@H]([C@H](CC1CCCCC1)N)O)C	0.033	0.193	0.032	0.181	0.03	0.046	0.006	0.171	0.057	0.004	-0.0
Compound_289	OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(O)n1ccc(nc1=S)N	0.634	0.371	0.032	0.399	0.241	0.174	0.067	0.093	0.297	0.048	0.837
Compound_290	CC(c1sc(nc1C(=O)O)[C@H]1NCc2c(C1)cccc2)C	0.454	0.514	0.032	0.316	0.188	0.561	0.028	0.085	0.38	0.007	0.14
Compound_291	NC(=O)[C@H](Cc1cccc2c1cccc2)N	0.122	0.5	0.135	0.434	0.006	0.103	0.087	0.069	0.505	0.524	0.6
Compound_292	O=C(N[C@H]1[C@@H](S)N(C1=O)[C@@H](C(=O)O)C[S@](=O)C)CCC[C@@H](C(=O)O)N	0.074	0.273	0.0	0.157	0.262	0.14	0.001	0.124	0.276	0.12	0.267
Compound_293	Nc1nc(N)c2c(n1)NC[C@@H](N2)[C@H]([C@@H](O)C)O	0.092	0.515	0.357	0.263	0.097	0.182	0.002	0.12	0.274	0.015	0.554
Compound_294	O[C@H]1C=C[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.518	0.636	0.277	0.54	0.393	0.591	0.004	0.961	0.595	0.075	0.656
Compound_295	CO[C@H]([C@H](C[C@@H](CC[C@@H]([C@@H](C(=O)O)C)N)C)C)Cc1ccccc1	0.087	0.213	0.014	0.183	0.023	0.11	0.013	0.007	0.035	0.001	0.028
Compound_296	OCC1=C[C@@H]([C@@H]([C@H](C1)O)O)N	0.134	0.445	0.029	0.553	0.052	0.058	0.008	0.234	0.157	0.001	0.165
Compound_297	OCC1=C[C@H](N[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2O)O)O)[C@@H]([C@H]([C@H]1O)O)O	0.312	0.572	0.018	0.438	0.085	0.206	0.005	0.858	0.252	0.053	0.052
Compound_298	OC[C@@H]1[C@@H](O)[C@@H]([C@@H]2[C@H]1OC(=N2)N=C)O	0.283	0.461	0.204	0.614	0.536	0.651	0.055	0.986	0.14	0.016	0.634
Compound_299	OC[C@@H]1[C@@H](O)[C@@H]([C@@H]2[C@H]1OC(=N2)N(C)C)O	0.274	0.421	0.045	0.499	0.51	0.649	0.01	0.112	0.124	0.042	0.335
Compound_300	O=C[C@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)NC(=O)[C@@H](c1ccc(cc1)O)N	0.072	0.355	0.004	0.175	0.283	0.292	0.007	0.034	0.109	0.002	0.22
Compound_301	OCCOCn1c(=O)[nH]c(=O)c(c1O)Cc1cccc(c1)OCc1ccccc1	0.493	0.445	0.049	0.398	0.559	0.587	0.689	0.173	0.138	0.035	0.441
Compound_302	C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O	0.008	0.303	0.11	0.271	0.238	0.201	0.009	0.023	0.355	0.057	0.266
Compound_303	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cccc[nH]c1=O	0.322	0.13	0.053	0.379	0.483	0.213	0.01	0.811	0.255	0.177	0.803
Compound_304	O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(O3)(F)F)/S1	0.666	0.612	0.722	0.449	0.666	0.691	0.91	0.732	0.382	0.765	0.539
Compound_305	N[C@H]([C@H](C[C@H](C(=O)O)C(C)C)O)CC1CCCCC1	0.033	0.136	0.004	0.13	0.017	0.028	0.011	0.192	0.116	0.006	0.002
Compound_306	O=CC1(CCC1)[C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)NC1CCCC1)NC(=O)C1CC1	0.186	0.388	0.12	0.321	0.524	0.647	0.189	0.043	0.381	0.027	0.305
Compound_307	OC[C@H]1O[C@H](OCC[C@H]2CO2)[C@@H]([C@H]([C@@H]1O)O)O	0.251	0.373	0.019	0.435	0.301	0.283	0.056	0.046	0.683	0.629	0.11
Compound_308	C[C@@H]([C@@H](n1cnc(c1)C(=O)N)CCc1cccc2c1oc(n2)c1ccc(cc1)Cl)O	0.435	0.608	0.909	0.612	0.5	0.641	0.837	0.862	0.111	0.062	0.591
Compound_309	CCN(C(=O)[C@@H]1O[C@H](C[C@@H]([C@H]1NC(=O)C)N)C(=O)O)CC	0.069	0.31	0.003	0.278	0.007	0.029	0.008	0.003	0.179	0.047	0.116
Compound_310	OC[C@H]([C@H]([C@@H]1O[C@H](C[C@@H]([C@H]1NC(=O)C)NC(=N)N)C(=O)O)O)O	0.148	0.292	0.002	0.293	0.009	0.2	0.01	0.025	0.092	0.055	0.083
Compound_311	OC(=O)CN(C(=O)O)O	0.195	0.108	0.015	0.147	0.12	0.024	0.005	0.359	0.094	0.088	0.58
Compound_312	CCCC(=O)OC[C@@H](OC(=O)CCC)COP(O)(O)(O)O	0.847	0.134	0.051	0.643	0.209	0.046	0.792	0.138	0.307	0.728	0.214
Compound_313	OCC(=O)CO[P@](=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O	0.353	0.332	0.003	0.367	0.483	0.481	0.102	0.008	0.285	0.266	0.142
Compound_314	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](c2n1cc(n2)c1ccccc1)O	0.255	0.724	0.793	0.583	0.102	0.438	0.0	0.451	0.17	0.071	0.546
Compound_315	OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1SC)O)O	0.411	0.323	0.007	0.41	0.08	0.258	0.063	0.519	0.321	0.147	0.069
Compound_316	CCN(c1ccc2c(c1)oc(=O)c(c2)C(=O)NC=CN1C(=O)CCC1=O)CC	0.546	0.606	0.863	0.551	0.755	0.398	0.068	0.907	0.54	0.455	0.584
Compound_317	CO[C@@H]([C@@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)O)C)N)\C)C)Cc1ccccc1	0.273	0.438	0.041	0.273	0.053	0.032	0.005	0.264	0.141	0.06	0.622
Compound_318	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)N[C@@H](O)C	0.014	0.133	0.008	0.255	0.028	0.023	0.001	0.046	0.044	0.071	0.045
Compound_319	OC(=O)CCC(=O)O[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.934	1.0	0.027	0.503	0.954	0.873	0.029	0.848	0.457	0.979	0.067
Compound_320	OC[C@@]12O[C@@H]1C[C@@H]([C@H]([C@@H]2O)O)O	0.713	0.4	0.014	0.475	0.538	0.279	0.081	0.172	0.359	0.182	0.163
Compound_321	CO/C=C(\c1ccccc1/C=C/c1ccccc1)/C(=O)OC	0.712	0.685	0.774	0.659	0.405	0.523	0.999	0.823	0.945	0.82	0.929
Compound_322	OC(CN(CP(=O)(O)O)C[C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O	0.168	0.119	0.002	0.159	0.155	0.365	0.009	0.007	0.319	0.07	0.189
Compound_323	CNC(=O)[C@H]1[C@@H]([C@H]1c1ccc(cc1)OP(=O)(O)O)C(=O)O	0.065	0.523	0.02	0.253	0.151	0.141	0.046	0.021	0.408	0.025	0.171
Compound_324	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1N[C@@H](c2c1ncnc2N)I	0.598	0.559	0.255	0.59	0.118	0.489	0.005	0.783	0.333	0.02	0.709
Compound_325	COCCN1CCCC[C@@H](C1=O)NC(=O)[C@@H]([C@@H](C(=O)NO)CCCO)CC(C)C	0.176	0.504	0.843	0.383	0.332	0.16	0.009	0.319	0.379	0.018	0.544
Compound_326	OCN(CCCc1ccccc1)O	0.22	0.29	0.408	0.535	0.039	0.868	0.042	0.495	0.339	0.118	0.512
Compound_327	COC[C@H]([C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)O	0.129	0.333	0.413	0.383	0.02	0.092	0.008	0.801	0.424	0.064	0.15
Compound_328	CSCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CS	0.65	0.363	0.023	0.333	0.332	0.499	0.012	0.043	0.292	0.012	0.178
Compound_329	CN(NC(=O)OC(C)(C)C)C#N	0.353	0.12	0.196	0.402	0.096	0.092	0.004	0.877	0.433	0.067	0.485
Compound_330	CC(C[C@@H](CN1CCCN2[C@H]1CCC2)N)C	0.015	0.397	0.046	0.213	0.014	0.041	0.0	0.032	0.446	0.015	0.015
Compound_331	OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)F)n1ccc(=O)[nH]c1=O	0.857	0.408	0.01	0.276	0.5	0.247	0.157	0.038	0.23	0.025	0.507
Compound_332	CO[C@@H]1O[C@H](C=S)[C@@H]([C@@H]([C@H]1O)O)O	0.296	0.268	0.055	0.385	0.057	0.23	0.107	0.099	0.469	0.627	0.05
Compound_333	N[C@H]1C[C@H]([C@@H](N1)C(=O)O)C	0.003	0.314	0.021	0.108	0.029	0.0	0.001	0.033	0.121	0.001	0.017
Compound_334	Nc1[nH]c(=O)c2c(n1)c(CCc1ccccc1)c1c(c2)[nH]cn1	0.461	0.66	0.841	0.401	0.48	0.678	0.721	0.25	0.28	0.02	0.543
Compound_335	OC[C@H]([C@H]([C@@H]1O[C@](O)(C(=O)O)[C@@H]([C@@H]([C@H]1O)O)F)O)O	0.664	0.231	0.01	0.455	0.098	0.338	0.022	0.288	0.048	0.294	0.021
Compound_336	OC[C@H]([C@@H]([C@H](C=O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O	0.067	0.15	0.036	0.34	0.149	0.678	0.014	0.022	0.409	0.578	0.03
Compound_337	COc1cccc(c1)c1ccc2c(c1)C[C@@H]([C@H]2[C@H](C(=O)O)CCCCC(=N)N)O	0.11	0.603	0.237	0.382	0.291	0.763	0.349	0.729	0.175	0.156	0.085
Compound_338	C#CCN(CC1=Cc2ccccc2Oc2c1cccc2)C	0.159	0.599	0.097	0.189	0.222	0.735	0.02	0.011	0.572	0.965	0.411
Compound_339	OC[C@H](CCONc1c2ccccc2[nH]c1C1=c2ccccc2=NC1=O)O	0.565	0.729	0.659	0.328	0.826	0.722	0.248	0.029	0.068	0.087	0.562
Compound_340	Clc1cccc(c1)Nc1ccn2c(n1)c(cn2)c1cccc(c1)N	0.602	0.752	0.674	0.713	0.644	0.794	0.995	0.955	0.646	0.102	0.219
Compound_341	CC[C@@H](Nc1ccc2n(n1)c(cn2)c1ccc(cc1)C(=O)O)CO	0.244	0.612	0.12	0.297	0.349	0.686	0.876	0.158	0.29	0.01	0.61
Compound_342	CCC(=O)N(c1ccccc1)C1CCN(CC1)C[C@H](c1ccccc1)C	0.389	0.499	0.099	0.186	0.131	0.739	0.005	0.057	0.227	0.48	0.122
Compound_343	COc1cc(OC)ccc1/C=C\1/CCCN=C1c1cccnc1	0.6	0.736	0.842	0.574	0.447	0.681	0.002	0.077	0.737	0.005	0.639
Compound_344	CC(=CC=CC(=CC(=O)O)C)/C=C/c1c(C)cc(c(c1C)C)O	0.839	0.442	0.938	0.71	0.772	0.916	0.258	0.986	0.902	0.982	0.807
Compound_345	c1cnc2c(c1)C[C@]1(O2)CN2CCC1CC2	0.424	0.586	0.001	0.151	0.06	0.429	0.002	0.095	0.228	0.848	0.404
Compound_346	NC(=O)c1ccc(c(c1)N(=O)=O)I	0.899	0.299	0.203	0.398	0.115	0.083	0.763	0.285	0.42	0.88	0.199
Compound_347	Cc1nnc(o1)c1ccc(c(c1)C)c1cc(ccc1C)C(=O)NC1CC1	0.186	0.694	0.713	0.595	0.414	0.625	0.995	0.911	0.497	0.426	0.472
Compound_348	Oc1ccc(c(c1)O)C(=O)N1CCC[C@@H]1c1ccccc1C	0.298	0.586	0.237	0.585	0.402	0.963	0.586	0.08	0.309	0.013	0.107
Compound_349	COc1ccc(cc1)Oc1ncnc(c1)N(CCOc1ccc(cc1)C[C@H]1SC(=O)NC1=O)C	0.527	0.608	0.611	0.552	0.602	0.759	0.509	0.874	0.261	0.192	0.346
Compound_350	COc1ccc(cc1)Oc1ncnc(c1)N(CCOc1ccc(cc1)C[C@@H]1SC(=O)NC1=O)C	0.527	0.608	0.611	0.552	0.602	0.759	0.509	0.874	0.261	0.192	0.346
Compound_351	O=C1NC(=O)[C@H](S1)Cc1ccc(cc1)OCc1nc2c(n1C)cc(cc2)Oc1cc(C)c(c(c1)C)N	0.403	0.638	0.572	0.48	0.772	0.766	0.945	0.323	0.285	0.307	0.801
Compound_352	CCC(C(=O)C(=O)N1CCC[C@H]1C(=O)O)(C)C	0.06	0.377	0.041	0.17	0.063	0.04	0.103	0.09	0.331	0.02	0.052
Compound_353	CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@@H](O)C[C@@H](C1=C)O)C	0.937	0.98	0.268	0.733	0.905	0.928	0.169	0.992	0.287	0.998	0.97
Compound_354	Fc1ccc(cc1)CN1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(c2cc1Cl)C)C(=O)C(=O)N(C)C	0.39	0.731	0.614	0.309	0.57	0.451	0.838	0.413	0.424	0.072	0.314
Compound_355	Cc1ccc(cc1)Sc1ccccc1C1CCNCC1	0.066	0.342	0.049	0.39	0.541	0.253	0.083	0.036	0.246	0.008	0.047
Compound_356	COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)OCCS(=O)(=O)C)C	0.17	0.618	0.56	0.749	0.398	0.832	0.901	0.555	0.427	0.532	0.308
Compound_357	CC[C@H](Nc1nc(C)nc2n1nc(c2c1ccc(nc1C)OC)C)C	0.377	0.596	0.745	0.602	0.495	0.703	0.083	0.862	0.608	0.829	0.647
Compound_358	CC(Oc1cc(OCCN2CCN(CC2)C(=O)C)cc2c1c(ncn2)Nc1c(Cl)cnc2c1OCO2)C	0.574	0.682	0.997	0.535	0.54	0.635	0.366	0.948	0.469	0.989	0.455
Compound_359	O=C([C@H](c1ccccc1)N1CCN(CC1)CC1CC1)N(CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C	0.036	0.636	0.253	0.308	0.427	0.479	0.121	0.975	0.399	0.029	0.27
Compound_360	O=n1cccc(c1)C#Cc1cccc(c1)n1cc(C(=O)NC2CC2)c(=O)c2c1nccc2	0.672	0.745	0.162	0.467	0.292	0.762	0.11	0.61	0.542	0.005	0.617
Compound_361	CCCN1CCC(CC1)c1nc2c([nH]1)cccc2C(=O)N	0.144	0.589	0.381	0.198	0.193	0.733	0.247	0.027	0.355	0.074	0.245
Compound_362	Clc1ccc(cc1)CCCOCCCN1CCCCC1	0.151	0.264	0.117	0.098	0.118	0.595	0.035	0.178	0.37	0.851	0.202
Compound_363	ClCC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCOCCO)/c1ccccc1	0.255	0.513	0.215	0.632	0.994	0.991	0.219	0.362	0.396	0.863	0.874
Compound_364	OCC(NC(=O)c1ccc2c(c1)c(cn2C)c1cc2c([nH]1)nccc2)(C)C	0.372	0.61	0.302	0.453	0.529	0.679	0.995	0.122	0.234	0.246	0.392
Compound_365	O=C(c1n[nH]c2c1cccc2)N[C@@H]1CN2CCC1CC2	0.26	0.485	0.14	0.33	0.544	0.691	0.051	0.667	0.511	0.019	0.233
Compound_366	CN1CCN(CC1)C(=O)O	0.063	0.307	0.005	0.11	0.01	0.01	0.001	0.03	0.364	0.008	0.065
Compound_367	O[C@@H]1[C@@H](CO[P@](=O)(OP(=N)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O	0.419	0.467	0.011	0.421	0.293	0.621	0.001	0.004	0.265	0.005	0.5
Compound_368	O=C1CCC2=C3[C@H](C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(O)C(=O)C)C)c1ccc(cc1)N(C)C	0.929	0.97	0.65	0.641	0.856	0.981	0.94	0.86	0.163	0.031	0.547
Compound_369	Nc1scc(n1)c1ccnc(n1)N	0.494	0.67	0.928	0.604	0.165	0.706	0.011	0.103	0.774	0.588	0.272
Compound_370	NCCCn1c2ccc(cc2c2c1cc(C)c1c2c(=O)[nH]c1=O)C	0.489	0.566	0.287	0.47	0.57	0.76	0.992	0.029	0.446	0.002	0.472
Compound_371	Fc1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)N)N	0.548	0.714	0.728	0.418	0.057	0.599	0.215	0.128	0.462	0.287	0.405
Compound_372	OC(=O)[C@H](CCCC/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)N	0.239	0.392	0.016	0.202	0.065	0.228	0.002	0.031	0.278	0.01	0.118
Compound_373	OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2CC=C1[C@H](O)COC1=O)C	0.952	0.98	0.326	0.657	0.955	0.812	0.864	0.976	0.755	0.739	0.194
Compound_374	CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1scc(n1)c1cccnc1)C	0.559	0.667	0.97	0.494	0.336	0.744	0.986	0.531	0.54	0.114	0.042
Compound_375	Oc1cc(O)c(cc1c1[nH]ncc1N1CCN(CC1)Cc1ccc(cc1)S(=O)(=O)C)Cl	0.173	0.536	0.649	0.303	0.738	0.659	0.017	0.74	0.39	0.246	0.384
Compound_376	OCCO[C@@H]1C[C@H](C)CC[C@H]1C(C)C	0.909	0.315	0.038	0.452	0.199	0.132	0.875	0.372	0.257	0.583	0.238
Compound_377	CNc1ccc(cc1F)c1nc2c(s1)cc(cc2)O	0.819	0.687	0.999	0.722	0.654	0.846	0.414	0.997	0.888	0.995	0.929
Compound_378	O=C(Cc1c(Cl)ccc(c1F)NCC(c1ccccc1)(F)F)NCCON=C(N)N	0.331	0.642	0.029	0.222	0.694	0.855	0.535	0.196	0.372	0.122	0.432
Compound_379	OC[C@H](CONC(=O)c1ccc(c(c1Nc1ccc(cc1Cl)I)F)F)O	0.566	0.558	0.961	0.681	0.84	0.641	0.898	0.789	0.361	0.7	0.803
Compound_380	ON1C(C)(C)CC(CC1(C)C)OC(=O)C1CC1	0.396	0.617	0.028	0.393	0.111	0.201	0.302	0.5	0.386	0.19	0.72
Compound_381	NCCNc1nnc(o1)c1ccc(c(c1Nc1ccc(cc1F)I)F)F	0.282	0.584	0.905	0.641	0.611	0.634	0.381	0.463	0.396	0.01	0.475
Compound_382	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)C(=O)N)OCO2	0.796	0.521	0.847	0.348	0.485	0.623	0.547	0.034	0.586	0.483	0.644
Compound_383	Clc1ccc2c(c1Nc1ccnc(n1)Nc1cccc(c1)NS(=O)(=O)C)OCO2	0.742	0.52	0.981	0.654	0.491	0.631	0.622	0.744	0.44	0.711	0.748
Compound_384	Cc1ccc(cc1c1ccc2c(c1)cnnc2c1ccccc1C)C(=O)NC1CC1	0.155	0.656	0.946	0.627	0.409	0.579	0.837	0.909	0.582	0.006	0.368
Compound_385	CCn1c(nc2c1c(OC[C@H]1CCCNC1)cnc2C#CC(O)(C)C)c1nonc1N	0.559	0.616	0.168	0.31	0.579	0.643	0.05	0.238	0.39	0.316	0.682
Compound_386	OCCCc1cc(Cl)cc(c1)c1noc2c1cc(nc2)N[C@H](c1ccccc1)C	0.407	0.672	0.844	0.621	0.596	0.648	0.96	0.747	0.345	0.065	0.385
Compound_387	CC[C@@H](Nc1nc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C)CO	0.324	0.634	0.131	0.479	0.203	0.664	0.051	0.028	0.598	0.703	0.64
Compound_388	O=C(Nc1cc(oc1C(F)(F)F)C)Nc1ncc(s1)CCNc1ncnc(c1)Nc1ncn[nH]1	0.543	0.6	0.875	0.411	0.648	0.652	0.749	0.507	0.538	0.001	0.458
Compound_389	COc1ccc2c(c1)nccc2OCc1nnc2n1nc(cc2)c1ccccc1	0.412	0.826	0.928	0.68	0.714	0.68	0.879	0.925	0.864	0.122	0.781
Compound_390	CC[C@@H](c1cc(ccc1O)C(=O)N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(cc1)C(=O)c1cc(OC)ccc1O)C	0.614	0.685	0.236	0.496	0.816	0.877	0.931	0.248	0.444	0.451	0.298
Compound_391	OC(=O)Cn1cc(c2c1nccc2)Cc1sc2c(n1)c(F)c(cc2F)F	0.533	0.469	0.914	0.428	0.644	0.658	0.995	0.869	0.564	0.211	0.085
Compound_392	OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl	0.481	0.507	0.105	0.18	0.523	0.928	0.808	0.067	0.364	0.084	0.524
Compound_393	CCCCCCC(c1cc(OC(=O)/C=C/C(=O)O)c(c(c1)O)[C@H]1CC(=O)[C@H]2C[C@@H]1C2(C)C)(C)C	0.798	0.694	0.092	0.429	0.977	0.679	0.736	0.876	0.453	0.984	0.925
Compound_394	C[C@H]1NC(=NC(=N1)N)N(C)C	0.052	0.297	0.189	0.538	0.019	0.046	0.0	0.907	0.281	0.063	0.198
Compound_395	CC(CCNc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O)C	0.57	0.648	0.541	0.52	0.083	0.313	0.014	0.263	0.447	0.346	0.281
Compound_396	O[C@@H](c1ccncc1)c1ccc(cc1)OCCN1CCCC1	0.078	0.516	0.1	0.402	0.344	0.447	0.001	0.177	0.351	0.64	0.308
Compound_397	OC[C@H](C(CC)CC)NS(=O)(=O)c1ccc(s1)Cl	0.19	0.392	0.112	0.312	0.474	0.609	0.026	0.294	0.337	0.011	0.236
Compound_398	CCCN=C1SC(=Cc2ccc(c(c2)Cl)OC[C@@H](CO)O)C(=O)N1c1ccccc1C	0.475	0.594	0.406	0.61	0.736	0.771	0.316	0.146	0.39	0.404	0.333
Compound_399	Brc1cc(Oc2ccccc2)cc(c1O)Br	0.961	0.663	0.65	0.668	0.424	0.618	0.995	0.937	0.659	0.99	0.996
Compound_400	CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl	0.635	0.578	0.965	0.289	0.847	0.854	0.391	0.885	0.474	0.487	0.481
Compound_401	OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1)S(=O)(=O)C	0.285	0.551	0.3	0.327	0.383	0.637	0.67	0.055	0.355	0.062	0.139
Compound_402	CCCC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)/O[C@@H]([C@H]([C@@H]1O)O)CO	0.392	0.556	0.138	0.493	0.13	0.152	0.002	0.227	0.313	0.238	0.386
Compound_403	Oc1cc(cc(c1O)N(=O)=O)c1onc(n1)c1c(C)c(Cl)c(n(=O)c1Cl)C	0.41	0.634	0.889	0.593	0.875	0.682	0.561	0.976	0.603	0.896	0.765
Compound_404	O=C(Nc1ncc(s1)CCNc1ncnc2c1n(C)nc2)Nc1cccc(c1)C(F)(F)F	0.64	0.624	0.864	0.571	0.558	0.656	0.836	0.632	0.599	0.004	0.304
Compound_405	N#Cc1ccc(c(c1)F)OCCN1C[C@@H]2CN(C[C@H](C1)O2)CCNC(=O)OC(C)(C)C	0.306	0.575	0.047	0.384	0.5	0.434	0.017	0.506	0.366	0.477	0.351
Compound_406	CC(OCCn1c(=S)nc(c2c1cc[nH]2)O)C	0.255	0.516	0.601	0.404	0.266	0.635	0.001	0.449	0.839	0.043	0.232
Compound_407	Fc1ccc(cc1)c1nc([nH]c1c1ccc2c(n1)n(CC(C)(C)C)c(n2)N)C(C)(C)C	0.519	0.65	0.905	0.537	0.717	0.727	0.99	0.277	0.61	0.651	0.572
Compound_408	O=C(CC(C)(C)C)O/N=C/c1ccc(cc1)O	0.565	0.316	0.314	0.584	0.599	0.853	0.007	0.565	0.5	0.013	0.253
Compound_409	COc1cc(ccc1c1ccccc1)[C@@H](C#Cc1c(C)nc(nc1N)N)C	0.598	0.482	0.262	0.6	0.748	0.857	0.531	0.829	0.426	0.53	0.742
Compound_410	N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(cc1F)F)nc1c2ccc(c1)S(=O)(=O)C	0.336	0.53	0.783	0.491	0.555	0.673	0.982	0.854	0.403	0.056	0.201
Compound_411	O=C(N[C@H](C(=O)N[C@H](C(=O)O)C)CCC(=O)O)CCCC[C@H]1SSCC1	0.143	0.268	0.007	0.213	0.358	0.118	0.012	0.092	0.383	0.337	0.34
Compound_412	Nc1cccc(c1)Sc1ccc(c(c1C(F)(F)F)C(F)(F)F)/C=C/C(=O)N1CCOCC1	0.432	0.518	0.896	0.701	0.67	0.645	0.938	0.786	0.393	0.52	0.458
Compound_413	COc1ccc2c(c1)CC[C@@H]([C@@H]2c1ccccc1)CN(CC(=O)O)C	0.181	0.621	0.036	0.164	0.679	0.641	0.028	0.16	0.132	0.122	0.069
Compound_414	OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C	0.517	0.575	0.376	0.389	0.377	0.703	0.41	0.094	0.224	0.055	0.147
Compound_415	CC(n1c(=O)c(C(=O)NCCCN2CCCCC2)c(c2c1scc2)O)C	0.599	0.435	0.052	0.33	0.199	0.716	0.002	0.206	0.465	0.001	0.088
Compound_416	OC(=O)c1ccc(cc1)c1c[nH]c2c1cc(cn2)c1ccccc1	0.25	0.633	0.867	0.495	0.48	0.792	0.973	0.109	0.472	0.016	0.53
Compound_417	CCN(C(=O)Cc1cccc(n1)NS(=O)(=O)c1cccc(c1C)Cl)CC	0.2	0.468	0.139	0.293	0.661	0.67	0.029	0.529	0.127	0.414	0.241
Compound_418	COc1ccc(c(c1)C)c1c(C)nn2c1nc(C)cc2N[C@H](c1onc(n1)C)CC	0.505	0.69	0.162	0.688	0.697	0.703	0.851	0.667	0.209	0.766	0.522
Compound_419	COC[C@@H](Cn1c(=O)cnn(c1=O)c1ccc(c(c1)C(=O)NCC1(O)CCCCCC1)Cl)O	0.635	0.535	0.261	0.435	0.524	0.832	0.017	0.129	0.458	0.022	0.293
Compound_420	O=C(Nc1cccc(c1)C(F)(F)F)Nc1ccc(cc1)Oc1ccncc1	0.64	0.625	0.988	0.689	0.899	0.738	0.985	0.918	0.546	0.053	0.877
Compound_421	Oc1cccc(c1)[C@H]1NC(=S)N(C(=C1C(=O)c1ccccc1)C)C	0.347	0.627	0.063	0.404	0.438	0.927	0.142	0.437	0.414	0.146	0.52
Compound_422	O=C1OCC[C@H]1N	0.044	0.269	0.044	0.436	0.034	0.015	0.021	0.015	0.345	0.0	0.135
Compound_423	C[C@H]1CNCCN1S(=O)(=O)c1cccc2c1ccnc2	0.073	0.413	0.06	0.286	0.079	0.682	0.002	0.235	0.187	0.007	0.116
Compound_424	CCCCCCCCSCC(=O)C(F)(F)F	0.955	0.118	0.196	0.748	0.615	0.099	0.996	0.948	0.422	1.0	0.965
Compound_425	BrCC(=O)N1CC(C1)(N(=O)=O)N(=O)=O	0.114	0.25	0.26	0.655	0.509	0.415	0.01	0.998	0.599	0.641	0.484
Compound_426	N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(cc1F)F)nc1c2ccnc1	0.345	0.569	0.779	0.53	0.762	0.804	0.953	0.939	0.582	0.091	0.085
Compound_427	O[C@@H]1[C@@H](/C=C/CNC(=O)c2cc(cc(c2O)O)N(=O)=O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.684	0.661	0.197	0.529	0.614	0.674	0.25	0.883	0.418	0.054	0.747
Compound_428	N#Cc1nn(c2cc(Cl)c(c(c2)Cl)Oc2nnc(c(c2)C(C)C)O)c(=O)nc1O	0.804	0.606	0.15	0.616	0.734	0.624	0.659	0.717	0.698	0.109	0.427
Compound_429	CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F	0.505	0.521	0.638	0.688	0.227	0.622	0.244	0.22	0.588	0.055	0.39
Compound_430	C[C@@H]1NCCN(C1)Cc1ccc(cc1)CC(=O)N1CCC(CC1)Nc1cccc(c1)F	0.254	0.396	0.814	0.185	0.089	0.715	0.426	0.719	0.379	0.006	0.154
Compound_431	O=C(Nc1ccccc1N)/C=C/c1ccn(c1)S(=O)(=O)c1ccc(cc1)c1cnn(c1)C	0.4	0.556	0.413	0.652	0.553	0.594	0.999	0.06	0.578	0.04	0.358
Compound_432	Clc1cc2c(s1)[nH]c(c2)C(=O)N[C@@H]1Cc2c([C@H]1O)cccc2	0.592	0.625	0.343	0.309	0.641	0.66	0.315	0.171	0.41	0.511	0.465
Compound_433	O=C1Nc2ccccc2C[C@H]1NC(=O)c1cc2c([nH]1)sc(c2)Cl	0.707	0.534	0.739	0.498	0.521	0.687	0.839	0.852	0.567	0.797	0.569
Compound_434	NC(=O)[C@@H](/N=C/c1ccc(cc1)OCc1cccc(c1)F)C	0.465	0.637	0.778	0.381	0.384	0.777	0.0	0.03	0.511	0.205	0.254
Compound_435	FC(c1ccc(cc1)C[C@H]1SC(=S)NC1=O)(F)F	0.277	0.504	0.514	0.367	0.085	0.454	0.991	0.945	0.416	0.469	0.407
Compound_436	Clc1cccc(c1)c1onc(c1)[C@H](Oc1nnc(n1C)c1ccncc1)C	0.419	0.606	0.837	0.733	0.602	0.68	0.874	0.801	0.494	0.568	0.5
Compound_437	N#Cc1cc(cc(c1)Cl)Oc1cc(ccc1Cl)OCc1n[nH]c2c1cccn2	0.627	0.683	0.971	0.65	0.655	0.663	0.947	0.835	0.592	0.184	0.869
Compound_438	N#Cc1cc(cc(c1)Cl)Oc1cc(ccc1Cl)OCc1n[nH]c2c1ccc(n2)N	0.627	0.665	0.989	0.624	0.68	0.664	0.491	0.755	0.574	0.04	0.841
Compound_439	NC(=O)[C@@H]1CC[C@@H](N1)c1ccc(cc1)OCc1ccccc1F	0.292	0.487	0.361	0.334	0.138	0.653	0.012	0.01	0.343	0.077	0.245
Compound_440	CCOC(=O)[C@@H](NP(=O)(N[C@H](C(=O)OCC)C)COCCn1cnc2c1nc(N)nc2NC1CC1)C	0.492	0.648	0.135	0.339	0.576	0.589	0.245	0.209	0.573	0.43	0.5
Compound_441	OCC[C@@H]1CCCCN1c1cc(NCc2cccn(=O)c2)n2c(n1)c(CC)cn2	0.552	0.59	0.002	0.405	0.466	0.654	0.182	0.188	0.199	0.155	0.649
Compound_442	NC1N=c2c(=N1)cccc2	0.679	0.612	0.907	0.489	0.027	0.012	0.017	0.046	0.849	0.783	0.662
Compound_443	O[C@H]1O[C@@H](C(=O)O)[C@@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O	0.534	0.374	0.008	0.352	0.099	0.49	0.005	0.699	0.093	0.19	0.229
Compound_444	O=C(N[C@H](C(=O)NC[P@](=O)(O[C@H](C(=O)O)Cc1ccccc1)O)C)OCc1ccccc1	0.192	0.622	0.036	0.191	0.209	0.207	0.11	0.144	0.318	0.087	0.375
Compound_445	N[C@@H](Cc1ccc(cc1)O)CC[C@H](O)N	0.256	0.275	0.098	0.417	0.191	0.789	0.001	0.072	0.259	0.004	0.019
Compound_446	OC[C@H](CCCCNC(=O)O)N	0.025	0.073	0.008	0.134	0.021	0.107	0.0	0.361	0.37	0.003	0.065
Compound_447	COc1cccc(c1C(=O)N[C@@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N)OC	0.196	0.502	0.03	0.392	0.335	0.184	0.087	0.051	0.362	0.073	0.356
Compound_448	CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC	0.398	0.613	0.702	0.787	0.351	0.771	0.987	0.527	0.434	0.755	0.159
Compound_449	CCc1ccc(o1)C=C1SC(=NC1=O)N[C@@H](c1ccc(cc1)F)C(=O)O	0.54	0.53	0.27	0.392	0.051	0.424	0.528	0.513	0.394	0.533	0.398
Compound_450	O=C([C@H]1CCCN1c1cc(C)nc(n1)n1cncc1)NCCc1ccc2c(c1)OCO2	0.386	0.558	0.414	0.333	0.395	0.616	0.088	0.608	0.329	0.068	0.326
Compound_451	S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2	0.343	0.612	0.994	0.393	0.336	0.64	0.888	0.768	0.336	0.902	0.347
Compound_452	Fc1ccc(cc1F)CN1CCC(CC1)Nc1ccc(nn1)C(F)(F)F	0.257	0.618	0.472	0.201	0.538	0.774	0.363	0.925	0.672	0.079	0.11
Compound_453	O=C1CCc2c(N1)nc(cc2)OCCCCN1CCN(CC1)c1cccc2c1cccc2	0.449	0.613	0.556	0.226	0.447	0.716	0.626	0.798	0.467	0.696	0.281
Compound_454	O=C(c1ccc(cc1)CN1CCOCC1)N1CCN(CC1)C1CC1	0.017	0.482	0.255	0.166	0.036	0.61	0.574	0.1	0.375	0.583	0.268
Compound_455	Oc1cccc(c1)OC1CN(C1)C(CCC(c1ccccc1)(c1ccccc1)C(=O)N)(C)C	0.108	0.552	0.196	0.424	0.601	0.669	0.247	0.033	0.1	0.001	0.294
Compound_456	COc1cc(ccc1n1cnc(c1)C)C=C1CCCN(C1=O)[C@H](c1ccc(cc1)F)C	0.312	0.735	0.511	0.613	0.449	0.646	0.661	0.726	0.677	0.646	0.237
Compound_457	OCC(Nc1nc(c2ccc(cc2C)F)c2c(n1)n(c(=O)cc2)c1c(F)cccc1F)CO	0.665	0.491	0.908	0.627	0.923	0.734	0.954	0.873	0.49	0.007	0.523
Compound_458	CN(CCCOc1ccc2c(c1)c(n[nH]2)S(=O)(=O)c1cccc2c1cccc2)C	0.215	0.636	0.098	0.383	0.755	0.671	0.983	0.76	0.459	0.005	0.234
Compound_459	O=C(Nc1c(O)ccc(c1O)C(=O)O)CC[C@]1(C)C(=O)CC[C@]23[C@H]1[C@@H]1C[C@H](C2)[C@@](O1)(C3)C	0.372	0.819	0.002	0.337	0.669	0.777	0.939	0.158	0.387	0.548	0.523
Compound_460	CN([C@H]1CCN(C1)C(=O)c1ccc(cc1)Nc1ncc(c(n1)c1cnc(n1C(C)C)C)F)C	0.468	0.609	0.447	0.347	0.316	0.772	0.275	0.858	0.454	0.143	0.108
Compound_461	CSCC[C@@H](C(=O)O)NC(=O)O	0.018	0.081	0.081	0.288	0.165	0.012	0.001	0.341	0.295	0.044	0.12
Compound_462	ONC(=O)CCCC/C=C(/C(=O)NCCCN(C)C)\COc1cccc2c1cccc2	0.245	0.708	0.155	0.203	0.112	0.866	0.334	0.499	0.411	0.101	0.555
Compound_463	OC(=O)/C(=N\Cc1c(cnc(c1O)C)COP(=O)(O)O)/C=CCP(=O)(O)O	0.368	0.494	0.045	0.228	0.34	0.603	0.001	0.563	0.424	0.046	0.151
Compound_464	O=C1c2cccc(c2C(=O)c2c1c(ccc2O)N(=O)=O)O	0.898	0.87	0.936	0.794	0.929	0.905	0.994	0.998	0.498	0.995	0.991
Compound_465	O=C(C(C)C)O[C@@H]1[C@@H](COC(=O)C(C)C)O[C@H]([C@]1(C)F)n1ccc(nc1=O)N	0.851	0.46	0.251	0.535	0.454	0.047	0.181	0.447	0.242	0.167	0.755
Compound_466	CCn1c(=O)c(cc2c1nc(N)nc2C)c1ccn[nH]1	0.535	0.685	0.961	0.499	0.426	0.734	0.001	0.676	0.511	0.003	0.431
Compound_467	CCS(=O)(=O)c1cccc(c1)c1cc(C(=O)NC2CCN(CC2)C)c(c2c1c1cc(C)cnc1[nH]2)C	0.505	0.702	0.064	0.366	0.489	0.701	0.996	0.63	0.397	0.684	0.15
Compound_468	O=C(c1ccc(cc1)C(F)(F)F)NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2[C@H]1C2	0.574	0.534	0.444	0.508	0.621	0.785	0.839	0.921	0.411	0.56	0.508
Compound_469	C=CC(=O)N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1	0.439	0.675	0.985	0.718	0.556	0.827	0.944	0.918	0.619	0.048	0.179
Compound_470	N#N=N[C@]1(COC(=O)C(C)C)O[C@H]([C@@H]([C@@H]1OC(=O)C(C)C)OC(=O)C(C)C)n1ccc(nc1=O)N	0.633	0.328	0.172	0.459	0.526	0.091	0.126	0.077	0.212	0.075	0.618
Compound_471	CN[C@@H](C[C@H]1CCCOC1)CNC(=O)N1CCC[C@H](C1)[C@H](c1cccc(c1)Cl)OCCNC(=O)OC	0.34	0.45	0.022	0.277	0.16	0.377	0.035	0.227	0.411	0.222	0.403
Compound_472	COc1ccc(cc1)S(=O)(=O)[C@@H](C(F)F)CC(=O)O	0.277	0.381	0.054	0.353	0.341	0.376	0.643	0.062	0.371	0.244	0.219
Compound_473	OC(=O)C1=C[C@@H]2[C@]3([C@@H]1CC[C@@H]3C)CC(C2)(C)C	0.962	0.405	0.084	0.361	0.87	0.158	0.373	0.494	0.22	0.969	0.847
Compound_474	O=C(c1ccc(nc1)c1cc(cc(c1C)F)C(=O)NC1CC1)NCC(C)(C)C	0.276	0.612	0.478	0.502	0.119	0.37	0.063	0.915	0.435	0.104	0.158
Compound_475	FC(c1cccc(c1)C1=CCN(CC1)CCc1ccc(cc1)c1ccccc1)(F)F	0.207	0.512	0.202	0.264	0.586	0.237	0.965	0.488	0.433	0.13	0.139
Compound_476	ONC(=O)c1cnc(nc1)N1CCC(CC1)CNCc1cn(c2c1cccc2)C	0.401	0.637	0.058	0.266	0.41	0.758	0.625	0.033	0.182	0.038	0.57
Compound_477	O=C(CN(c1c(C)cccc1C)C(=O)C1CCS(=O)(=O)CC1)Nc1ccc(cc1)c1nocn1	0.222	0.654	0.713	0.598	0.437	0.701	0.779	0.74	0.395	0.302	0.168
Compound_478	Cn1nc(c(c1)c1ccncc1)c1ccc(cc1)OCc1ccc2c(n1)cccc2	0.505	0.809	0.92	0.688	0.748	0.623	0.844	0.728	0.862	0.103	0.839
Compound_479	CCCCC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)/O[C@@H]([C@H]([C@@H]1O)O)CO	0.388	0.563	0.138	0.506	0.123	0.155	0.003	0.263	0.367	0.188	0.413
Compound_480	Fc1ccc(cc1)[C@@H]1CCCN1C(=O)C1=C(C)Nc2n([C@@H]1c1ccc(c(c1)Cl)Cl)ncc2	0.678	0.784	0.856	0.441	0.333	0.596	0.942	0.835	0.477	0.023	0.116
Compound_481	Nc1ncc(cc1O[C@@H](c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1	0.429	0.635	0.421	0.534	0.543	0.599	0.062	0.669	0.455	0.031	0.258
Compound_482	OCCc1cn(c2c1c1c(=O)[nH]c(=O)c1c(c2)c1ccccc1Cl)C	0.525	0.626	0.98	0.581	0.6	0.702	0.988	0.237	0.417	0.045	0.833
Compound_483	n1ccc(cc1)c1c[nH]nc1c1ccc(cc1)OCc1ccc2c(n1)cccc2	0.451	0.801	0.99	0.666	0.789	0.669	0.866	0.848	0.723	0.044	0.947
Compound_484	O=N(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CCCC1	0.369	0.63	0.044	0.487	0.141	0.287	0.012	0.939	0.485	0.562	0.357
Compound_485	CCCc1c(OCc2ccc(cc2)[C@@H](c2cccc(c2)C(=O)O)O)ccc(c1O)C(=O)C	0.474	0.715	0.042	0.415	0.989	0.992	0.827	0.075	0.627	0.332	0.446
Compound_486	COc1cc(ccc1OC)N1CC[C@@H]([C@@H](C1)c1cccc(c1)C)N	0.124	0.59	0.351	0.396	0.356	0.619	0.113	0.203	0.573	0.016	0.217
Compound_487	Fc1cc2CCOc2c(c1)C(C[C@](C(F)(F)F)(CNc1cccc2c1ccc(n2)C)O)(C)C	0.467	0.608	0.895	0.603	0.99	0.736	0.965	0.687	0.557	0.738	0.451
Compound_488	COC(=O)N1CCC(CC1)CC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)C(=O)NC1CC1	0.553	0.593	0.036	0.477	0.197	0.63	0.04	0.799	0.434	0.204	0.683
Compound_489	CNC(=O)[C@H](N1CCc2c([C@@H]1CCc1ccc(cc1)C(F)(F)F)cc(c(c2)OC)OC)c1ccccc1	0.336	0.643	0.135	0.271	0.268	0.342	0.237	0.703	0.4	0.083	0.179
Compound_490	FC[C@@]1(O)OC(=O)C[C@@H]1NC(=O)[C@]1(ON=C(C1)c1nccc2c1cccc2)C(C)C	0.468	0.666	0.081	0.511	0.101	0.499	0.541	0.937	0.386	0.299	0.698
Compound_491	COc1ccc(cc1)N(c1nc(C)nc2c1cccc2)C	0.729	0.775	0.962	0.658	0.905	0.852	0.868	0.837	0.889	0.986	0.65
Compound_492	CCCC(C(=O)Nc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H](C1(F)F)O)CO)CCC	0.851	0.471	0.099	0.517	0.5	0.153	0.902	0.557	0.407	0.029	0.764
Compound_493	CCN(C(=O)Cc1ccc(cc1)S(=O)(=O)C)C1CCN(CC1)CC[C@@H](c1cc(F)cc(c1)F)c1ccc(cc1)S(=O)(=O)C	0.266	0.563	0.045	0.179	0.534	0.556	0.595	0.278	0.402	0.611	0.161
Compound_494	C[C@@H](C(=O)c1ccc2c(c1)OCO2)N	0.199	0.286	0.861	0.477	0.023	0.634	0.019	0.081	0.261	0.222	0.553
Compound_495	Clc1ccc(cc1)CCC1(OCCO1)Cn1cncc1	0.631	0.684	0.321	0.753	0.46	0.806	0.019	0.382	0.37	0.94	0.382
Compound_496	NCCC[C@]1(CC(=NN1C(=O)NCC)c1cc(F)ccc1F)c1ccccc1	0.444	0.696	0.489	0.386	0.125	0.645	0.51	0.262	0.407	0.049	0.196
Compound_497	COc1cc2nc(oc2c(c1)c1cccc(c1)N)NS(=O)(=O)c1cc(Cl)ccc1Cl	0.261	0.423	0.942	0.524	0.713	0.653	0.973	0.833	0.334	0.054	0.376
Compound_498	Clc1ccc(c(c1)S(=O)(=O)Nc1oc2c(n1)cc(cc2)Cl)Cl	0.127	0.396	0.882	0.427	0.704	0.653	0.041	0.909	0.366	0.418	0.361
Compound_499	Fc1ccc(c(c1)F)c1nc(ccc1C(=O)N)N(c1c(F)cccc1F)C(=O)N	0.749	0.536	0.847	0.593	0.957	0.873	0.952	0.918	0.523	0.033	0.239
Compound_500	CN1CCC(CC1)N1CCN(CC1)C(=O)[C@@H](c1ccccc1)NC(=O)c1ccc2c(c1)[nH]cc2	0.188	0.62	0.21	0.281	0.341	0.707	0.981	0.214	0.361	0.116	0.368
Compound_501	COC(=O)c1c(C)cc(cc1O)Oc1cc(C)cc(c1O)O	0.824	0.715	0.975	0.565	0.922	0.376	0.969	0.172	0.723	0.486	0.704
Compound_502	CC#C[C@H]1CC[C@H](N1C(=O)[C@H](C1CCCC1)N)CN	0.168	0.328	0.179	0.316	0.018	0.765	0.003	0.008	0.276	0.004	0.319
Compound_503	NC[C@@H]1CC[C@@H](N1C(=O)[C@H](C1CCCC1)N)C#C	0.176	0.354	0.179	0.282	0.027	0.433	0.002	0.016	0.278	0.006	0.379
Compound_504	O=CCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.108	0.35	0.068	0.315	0.293	0.645	0.005	0.202	0.406	0.318	0.382
Compound_505	N#CC1(CC1)NC(=O)[C@H](CS(=O)(=O)C[C@@H]1CCC(=O)N1)N[C@H](C(F)(F)F)c1ccc(cc1)F	0.237	0.552	0.073	0.525	0.647	0.44	0.317	0.557	0.42	0.567	0.512
Compound_506	OC(=O)CCCN/C=C\1/N=C(OC1=O)c1ccccc1	0.236	0.298	0.315	0.241	0.059	0.051	0.005	0.006	0.366	0.019	0.326
Compound_507	COc1cc(N)c(c(c1OC)CCOC(=O)c1cc(Cl)c(cc1O)O)OC	0.417	0.682	0.984	0.61	0.721	0.624	0.979	0.202	0.455	0.492	0.814
Compound_508	O=C[C@@]1(NC(=O)[C@H]2[C@]1(C)OCC2)[C@H]([C@H]1CCCC=C1)O	0.559	0.644	0.017	0.382	0.24	0.45	0.607	0.765	0.39	0.253	0.9
Compound_509	CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc1cc(ccc1C)C(=O)NC1CC1	0.584	0.676	0.081	0.349	0.225	0.602	0.671	0.534	0.541	0.18	0.219
Compound_510	CCCCC[C@@H](c1ccc(cc1)N1[C@@H](COCc2ccc(s2)C(=O)OC(C)C)CCC1=O)O	0.771	0.709	0.011	0.414	0.5	0.781	0.284	0.039	0.503	0.793	0.538
Compound_511	O=C(N1CSCC1)[C@H]1NC[C@H](C1)N1CCN(CC1)c1cc(nn1c1ccccc1)C	0.256	0.6	0.045	0.13	0.549	0.652	0.02	0.11	0.202	0.008	0.064
Compound_512	CN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)c1ccc(c(c1)C#Cc1cnc2n1nccc2)C	0.491	0.781	0.246	0.522	0.473	0.718	0.998	0.727	0.458	0.075	0.267
Compound_513	O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)N1CN(c2c1nc(N)[nH]c2=O)C	0.574	0.518	0.002	0.36	0.245	0.48	0.004	0.024	0.402	0.014	0.373
Compound_514	ON=C1NC[C@H]([C@@H]([C@H]1O)O)O	0.019	0.421	0.125	0.343	0.014	0.042	0.0	0.07	0.304	0.004	0.218
Compound_515	CC(=C/C=C/C(=C/C(=O)O)/C)C=CC1=C(C)CCCC1(C)C	0.944	0.269	0.785	0.523	0.905	0.898	0.997	0.884	0.934	0.994	0.576
Compound_516	OC[C@@]12CC[C@@H]([C@H]([C@H]2C)[C@H](OC1)c1ccc(cc1)O)C	0.799	0.629	0.247	0.544	0.966	0.983	0.159	0.063	0.152	0.274	0.383
Compound_517	S[C@H]([C@H](C(=O)N)C#N)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.397	0.407	0.045	0.277	0.53	0.261	0.211	0.118	0.486	0.396	0.853
Compound_518	CCNC(=O)c1sc2c(c1)c(nc(n2)N)c1ccc(cc1Cl)Cl	0.505	0.611	0.974	0.57	0.476	0.776	0.121	0.912	0.511	0.187	0.361
Compound_519	CCNC(=O)c1sc2c(c1)c(nc(n2)N)c1cc(OCCN2CCCC2)c(cc1Cl)Cl	0.556	0.472	0.6	0.562	0.586	0.715	0.613	0.903	0.444	0.119	0.585
Compound_520	Cc1cc(CNS(=O)(=O)c2cccc(c2)NC=C2CCOC2=O)nc(n1)N	0.569	0.589	0.061	0.322	0.323	0.731	0.084	0.126	0.288	0.021	0.342
Compound_521	Nc1nc(N)nc(n1)c1cc2ccccc2cc1Br	0.716	0.762	0.99	0.695	0.652	0.678	0.867	0.679	0.821	0.866	0.37
Compound_522	CCCN(CCc1c[nH]c2c1c(O)ccc2)CCC	0.148	0.508	0.707	0.313	0.587	0.652	0.014	0.292	0.443	0.917	0.706
Compound_523	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cccc(c4cc3Cn1c2=O)N	0.891	0.864	0.463	0.591	0.817	0.834	0.08	0.964	0.278	0.053	0.874
Compound_524	Clc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C(=O)Nc1ccncc1	0.422	0.639	0.982	0.644	0.563	0.394	0.995	0.452	0.208	0.312	0.786
Compound_525	O=C[C@H]([C@H]1[C@@H](CCN1C(=O)/C=C/CN1CCCCC1)NS(=O)(=O)C)C(C)C	0.281	0.555	0.239	0.398	0.077	0.688	0.036	0.254	0.404	0.987	0.312
Compound_526	O=C(N(C1CCN(CC1)CC1(CC1)C(=O)N)C1CC1)c1ccc(cc1)[C@@](C(F)(F)F)(O)C	0.195	0.542	0.012	0.307	0.371	0.587	0.062	0.206	0.38	0.005	0.305
Compound_527	O[C@@H]1[C@@H](CO[P@](=O)(O[P@@](=O)(NP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O	0.443	0.447	0.012	0.425	0.307	0.622	0.001	0.003	0.266	0.005	0.484
Compound_528	CC1=C(C(=O)OCCN(c2ccccc2)Cc2ccccc2)[C@H](C(=C(N1)C)P1(=O)OCC(CO1)(C)C)c1cccc(c1)N(=O)=O	0.952	0.747	0.876	0.549	0.959	0.098	0.998	0.528	0.708	0.972	0.614
Compound_529	COCCN([C@@H](C(=O)Oc1c(OC)cc(cc1OC)C)CC)CCOC	0.105	0.402	0.302	0.176	0.308	0.03	0.066	0.062	0.329	0.081	0.296
Compound_530	CC(OC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1)N(=O)=O)C(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1)N)C	0.854	0.619	0.296	0.381	0.923	0.898	0.729	0.94	0.95	0.504	0.612
Compound_531	N#CC1=C(N)Oc2c([C@H]1c1cc(Br)c(c(c1)OC)OC)ccc(c2N)N	0.638	0.761	0.838	0.608	0.686	0.647	0.979	0.872	0.572	0.058	0.622
Compound_532	O=C1O[C@@H](C[C@@H]2O[C@]2(C)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](C1)O)(C)C)C)O)C)/C(=C\c1csc(n1)C)/C	0.952	0.895	0.077	0.7	0.376	0.7	0.74	0.916	0.335	0.973	0.918
Compound_533	O=C1N=NC(=O)c2c1cc(cc2)n1nc([nH]n1c1nc2c(s1)cccc2)/C=C/c1ccccc1	0.678	0.58	0.998	0.668	0.555	0.757	0.96	0.841	0.972	0.485	0.194
Compound_534	OC(=O)c1ccccc1/N=N/c1ccc(c(c1)C(C)(C)C)O	0.819	0.764	0.831	0.516	0.959	0.924	0.813	0.587	0.802	0.651	0.707
Compound_535	O=C(c1cccc(c1C)O)Nc1cccc2c1cc(cc2)C(=N)N	0.852	0.749	0.955	0.662	0.821	0.973	0.76	0.986	0.763	0.54	0.215
Compound_536	COC(=O)c1cc(NC(=O)c2cccc(c2C)O)c2c(c1)ccc(c2)C(=N)N	0.691	0.8	0.885	0.647	0.824	0.965	0.935	0.943	0.562	0.182	0.085
Compound_537	SCCNC(=O)c1cc2c(s1)n(nc2C(F)(F)F)C	0.419	0.562	0.485	0.382	0.472	0.695	0.368	0.435	0.52	0.014	0.652
Compound_538	OC[C@]12CO[C@@H]([C@@H]([C@@H]2C)C(=C[C@@H]1C)C)c1ccc(cc1)O	0.874	0.608	0.336	0.677	0.945	0.979	0.096	0.8	0.267	0.871	0.876
Compound_539	CC(CCC(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCNC(N)N)C(C)C)C	0.287	0.446	0.022	0.367	0.213	0.644	0.06	0.13	0.289	0.038	0.26
Compound_540	CS[C@@H]1[C@@H](NCc2ccccc2)[C@H]([C@H]([C@H]1O)O)O	0.066	0.332	0.01	0.315	0.429	0.652	0.008	0.343	0.27	0.005	0.155
Compound_541	CCc1nc(N)nc(c1c1ccc2c(c1)N(CCNC(=O)C)C(=O)C(S2)(C)C)N	0.387	0.511	0.011	0.367	0.691	0.487	0.091	0.918	0.393	0.129	0.553
Compound_542	CCC[C@@H](C(=O)Nc1ncn(c1)C(CNCC(C)(C)C)(C)C)N[C@H]1CCc2c(C1)c(F)cc(c2)F	0.422	0.698	0.202	0.349	0.204	0.809	0.82	0.566	0.441	0.956	0.265
Compound_543	CC#CCOc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)O)Cc1c[nH]c2c1cc(C)cc2	0.399	0.445	0.269	0.284	0.558	0.664	0.985	0.609	0.166	0.106	0.315
Compound_544	CCc1nc2c(n1c1ccc(cc1)CCN/C(=N/S(=O)(=O)c1ccc(cc1)C)/O)cc(nc2C)C	0.266	0.531	0.257	0.377	0.741	0.765	0.971	0.469	0.377	0.394	0.226
Compound_545	COc1cc2nc(oc2c(c1)c1ccc(nc1)OC)NS(=O)(=O)c1cc(Cl)ccc1Cl	0.366	0.473	0.973	0.528	0.704	0.652	0.995	0.899	0.274	0.27	0.352
Compound_546	COc1ccc(cc1c1c(Br)cnn1C)NC(=O)Nc1ccc(cc1F)F	0.698	0.628	0.951	0.752	0.648	0.645	0.935	0.738	0.665	0.581	0.669
Compound_547	COC(=O)N1CCN(CC1)Cc1cccc(c1F)NC(=O)Nc1ccc(nc1)C	0.225	0.661	0.701	0.297	0.218	0.746	0.07	0.235	0.401	0.065	0.338
Compound_548	COc1ccc(cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(c1)N)Br	0.549	0.556	0.989	0.61	0.669	0.653	0.949	0.687	0.455	0.151	0.46
Compound_549	OCCNC(=O)c1c(Br)c2c(n1C)cc(c1c2c(=O)[nH]c1=O)c1ccccc1Cl	0.596	0.587	0.822	0.478	0.601	0.66	0.983	0.393	0.378	0.275	0.794
Compound_550	COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C	0.499	0.659	0.624	0.47	0.34	0.632	0.494	0.918	0.452	0.816	0.219
Compound_551	Cc1nc2cccc(c2c(=O)n1c1ccc(cc1)OCCCN1CCCC1)C(F)(F)F	0.478	0.599	0.258	0.392	0.93	0.866	0.867	0.728	0.273	0.041	0.193
Compound_552	OC(=O)C[C@@H]1Nc2ccccc2CN(C1=O)C	0.088	0.532	0.152	0.128	0.266	0.059	0.006	0.008	0.304	0.023	0.295
Compound_553	CCC[C@H](C[C@@H](CC(=O)O)N)C	0.036	0.047	0.008	0.124	0.028	0.01	0.002	0.008	0.173	0.144	0.177
Compound_554	O[C@H]1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.971	0.99	0.033	0.714	0.973	0.917	0.036	0.787	0.243	0.998	0.439
Compound_555	COc1cc(/N=N/c2ccccc2C(=O)O)cc(c1O)OC	0.737	0.876	0.741	0.445	0.834	0.378	0.97	0.057	0.86	0.799	0.569
Compound_556	n1nnc([nH]1)c1[nH]nc2c1CCC2	0.406	0.458	0.308	0.361	0.606	0.663	0.318	0.027	0.761	0.057	0.78
Compound_557	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CNc2c1nc[nH]c2=O	0.5	0.461	0.051	0.328	0.164	0.07	0.003	0.223	0.342	0.108	0.422
Compound_558	CC[C@@H]([C@@H]1[C@H](CCN1C(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C)C=O	0.212	0.445	0.049	0.351	0.088	0.648	0.056	0.215	0.401	0.945	0.463
Compound_559	CCCCc1nc(cn1c1ccc(cc1)Oc1ccc(cc1)Cl)c1ccc(cc1)OCCCN(CC)CC	0.151	0.668	0.141	0.498	0.783	0.885	0.865	0.754	0.402	0.917	0.689
Compound_560	COc1ccc(cc1C[C@]([C@@H]1CNCCO1)(C1CCOCC1)O)F	0.114	0.557	0.728	0.418	0.196	0.037	0.204	0.127	0.412	0.124	0.2
Compound_561	FC[C@H]1CC(=O)N(C1)[C@H]1CN2CCc3c([C@@H]2C[C@@H]1N)cc(c(c3)OC)OC	0.522	0.577	0.051	0.363	0.007	0.395	0.013	0.426	0.624	0.009	0.076
Compound_562	CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc1ccccc1)N[C@H](OC(C)(C)C)O)O)O	0.403	0.75	0.005	0.197	0.124	0.68	0.065	0.022	0.416	0.257	0.363
Compound_563	CSC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1NC=N[C@@H]2N	0.629	0.58	0.186	0.33	0.271	0.657	0.007	0.173	0.104	0.002	0.309
Compound_564	CSC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1N=CN[C@H]2N	0.59	0.55	0.013	0.334	0.277	0.659	0.007	0.101	0.111	0.002	0.235
Compound_565	S=C(Nc1ccc(cc1)S(=O)(=O)N)OCCc1cscc1	0.427	0.361	0.002	0.207	0.201	0.647	0.078	0.058	0.339	0.002	0.125
Compound_566	CCCCCCCCCCCCCC[C@@H](OC[C@H](CO[P@](=O)(OC[C@@H](C(=O)O)N)O)O)O	0.495	0.18	0.001	0.248	0.18	0.266	0.014	0.009	0.282	0.037	0.118
Compound_567	Oc1c(cccc1c1[nH]c2c(c1)cc(c(c2)Cl)C(=N)N)OC1CCCC1	0.756	0.635	0.278	0.594	0.908	0.678	0.512	0.925	0.26	0.692	0.726
Compound_568	Oc1ccc(cc1c1nc2c([nH]1)ccc(c2)C(=N)N)OC(F)(F)F	0.512	0.589	0.991	0.599	0.801	0.702	0.113	0.704	0.346	0.103	0.838
Compound_569	N#N=N[C@@]1(O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)[C@H](O)N	0.1	0.432	0.009	0.431	0.04	0.104	0.0	0.055	0.232	0.001	0.214
Compound_570	CCCCCCCCN=C1OC[C@H]2N1[C@@H](O)[C@H](O)[C@H]([C@H]2O)O	0.337	0.421	0.422	0.515	0.022	0.061	0.003	0.386	0.396	0.679	0.336
Compound_571	CSCC[C@@H](/C(=N/S(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1C=NC2=C(NC=N[C@H]12)N)/O)N	0.619	0.498	0.007	0.395	0.125	0.342	0.004	0.24	0.14	0.015	0.533
Compound_572	COc1cc(cc(c1OC)OC)N(C[C@H]1CCC2=C(C1)C(=N[C@@H](N2)N)N)C	0.35	0.508	0.026	0.335	0.49	0.42	0.069	0.035	0.855	0.002	0.385
Compound_573	CC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)[C@H](O)C)Cc1cc(I)c(c(c1)I)O	0.151	0.49	0.001	0.385	0.323	0.103	0.0	0.116	0.275	0.087	0.029
Compound_574	OC[C@H]1O[C@@H](c2nc3c([nH]2)ccc(c3)C)[C@@H]([C@H]([C@@H]1O)O)O	0.3	0.695	0.967	0.476	0.278	0.667	0.049	0.187	0.376	0.1	0.689
Compound_575	OC[C@H]1O[C@@H](c2nc3c(s2)ccc(c3)C)[C@@H]([C@H]([C@@H]1O)O)O	0.65	0.627	0.969	0.463	0.474	0.702	0.308	0.565	0.628	0.083	0.538
Compound_576	CCC(COC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)Oc1cccc(c1c1[nH]nnn1)Cl)CC	0.296	0.646	0.102	0.401	0.623	0.661	0.124	0.023	0.289	0.192	0.57
Compound_577	COCCCC(=O)NCc1ccc(cc1)C(F)(F)F	0.11	0.355	0.217	0.392	0.028	0.261	0.158	0.928	0.433	0.001	0.078
Compound_578	CN1CCN(CC1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)N[C@H](C2)C1CCCC1	0.191	0.483	0.124	0.177	0.135	0.662	0.006	0.004	0.331	0.157	0.09
Compound_579	Oc1cccc2c1CC[C@H]2/N=C/C=C	0.412	0.51	0.968	0.689	0.3	0.335	0.07	0.939	0.439	0.477	0.512
Compound_580	CCn1ncc2c1ncc(c2NC1CCOCC1)c1nnc(o1)Cc1sc(nc1C)C	0.45	0.661	0.718	0.579	0.647	0.653	0.846	0.704	0.48	0.784	0.2
Compound_581	Cc1cccc(n1)c1nc(Nc2ccncc2)c2c(n1)cccc2	0.544	0.89	0.993	0.645	0.81	0.65	0.815	0.853	0.83	0.471	0.518
Compound_582	FC([C@H]1N(Cc2ccc(cc2)F)C(=O)[C@H]2[C@@H]1[C@@H]1CCCN1[C@H]2c1ccc(cc1)C(N)N)F	0.538	0.598	0.086	0.208	0.335	0.646	0.58	0.574	0.397	0.018	0.204
Compound_583	O=C(C1=C(CC=C1)C(=O)O)Nc1c(F)c(F)c(c(c1F)F)c1cccc(c1)OC(F)(F)F	0.459	0.617	0.804	0.512	0.958	0.733	0.984	0.921	0.378	0.257	0.691
Compound_584	CCCOC(=O)Cc1ccc(c(c1)OCC)OCC(=O)N(CC)CC	0.088	0.519	0.836	0.731	0.06	0.125	0.418	0.899	0.064	0.378	0.121
Compound_585	OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1F)Br)F	0.497	0.834	0.92	0.72	0.607	0.652	0.572	0.971	0.343	0.033	0.591
Compound_586	OC(=O)c1ccc(cc1)/C=C/c1cc2c(cc1Cn1cccn1)C(C)(C)CCC2(C)C	0.746	0.737	0.259	0.422	0.653	0.641	0.954	0.646	0.131	0.106	0.301
Compound_587	CN(C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCCCc2c1cccc2)C	0.57	0.691	0.239	0.293	0.601	0.702	0.99	0.468	0.43	0.018	0.112
Compound_588	CC(C[C@@H](C(=O)N[C@@H]1CO[C@@H](C1)O)NC(=S)Nc1ccccc1)C	0.336	0.436	0.553	0.396	0.11	0.518	0.003	0.35	0.511	0.1	0.122
Compound_589	CCc1nc2c(n1CCCCNS(=O)(=O)C)c1ccccc1nc2N	0.341	0.604	0.377	0.459	0.594	0.884	0.19	0.866	0.41	0.106	0.39
Compound_590	Oc1ccc(cc1)C(=O)NNCc1ccc(cc1)C(C)C	0.44	0.572	0.855	0.422	0.427	0.971	0.152	0.117	0.681	0.008	0.071
Compound_591	C[P@@H](=O)O[C@@H](C(C)(C)C)C	0.713	0.128	0.282	0.492	0.2	0.054	0.956	0.74	0.684	0.983	0.778
Compound_592	C=CC(=O)Nc1ccc2c(c1)c(ncn2)Nc1ccccc1	0.792	0.821	0.999	0.75	0.543	0.818	0.444	0.988	0.884	0.949	0.722
Compound_593	Oc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C	0.869	0.81	0.984	0.758	0.659	0.868	0.96	0.997	0.921	0.991	0.875
Compound_594	N[C@@H](CC1=C2C=CC=C[C@@H]2N=C1)COc1cncc(c1)c1ccc2c(c1)cn[nH]2	0.628	0.749	1.0	0.564	0.69	0.672	0.824	0.558	0.467	0.013	0.758
Compound_595	N[C@@H](CC1=C2C=CC=C[C@H]2N=C1)COc1cncc(c1)c1ccc2c(c1)cn[nH]2	0.628	0.749	1.0	0.564	0.69	0.672	0.824	0.558	0.467	0.013	0.758
Compound_596	N[C@@H](CC1=C2C=CCC=C2N=C1)COc1cncc(c1)C1=NCC2=NN=CC2=C1	0.59	0.689	0.971	0.566	0.204	0.652	0.017	0.589	0.453	0.011	0.54
Compound_597	O=C(C1CCCCC1)O/N=C/c1ccc(cc1)O	0.741	0.485	0.223	0.593	0.702	0.92	0.159	0.625	0.384	0.959	0.567
Compound_598	Oc1ccc(cc1)C[C@@]1(O)N=c2n(C1=O)cc(nc2Cc1ccccc1)c1ccc(cc1)O	0.427	0.6	0.762	0.66	0.147	0.588	0.024	0.876	0.474	0.074	0.457
Compound_599	O=C(N[C@@H]([C@@H]1N[C@H](C(S1)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N)Cc1ccccc1	0.124	0.401	0.009	0.275	0.202	0.048	0.022	0.009	0.384	0.005	0.31
Compound_600	CC(=O)OC[C@@H]1CS[C@H]2N([C@@H]1C(=O)O)C(=O)[C@H]2NC(=O)CCCC[C@@H](C(=O)O)NC(=O)CN	0.21	0.358	0.0	0.135	0.4	0.109	0.001	0.016	0.353	0.179	0.153
Compound_601	CNC(=O)c1c(oc2c1cc(OC(C)C)c(c2)NS(=O)(=O)C)c1ccc(cc1)F	0.473	0.634	0.959	0.678	0.535	0.614	0.731	0.611	0.503	0.988	0.863
Compound_602	OC(=O)CCO/N=C/c1ccccc1C(F)(F)F	0.505	0.414	0.074	0.361	0.399	0.156	0.991	0.961	0.161	0.002	0.648
Compound_603	O=C1CCc2c(N1)ncc(c2)/C=C/C(=O)N(Cc1oc2c(c1C)cccc2)C	0.391	0.529	0.817	0.533	0.051	0.528	0.414	0.761	0.442	0.038	0.128
Compound_604	Fc1ccc(cc1)Sc1ccc(nc1C(=O)Nc1scc(n1)C)Sc1nncn1C	0.634	0.607	0.559	0.535	0.489	0.681	0.515	0.923	0.538	0.08	0.217
Compound_605	C1CCN(CC1)CCOc1cccc(c1)c1n[nH]c2c1cc(cc2)c1nc[nH]n1	0.166	0.613	0.936	0.544	0.696	0.749	0.972	0.649	0.339	0.445	0.475
Compound_606	Fc1ccc(cc1)c1[nH]nc(n1)c1ccccc1	0.49	0.632	0.982	0.695	0.613	0.796	0.568	0.414	0.999	0.076	0.307
Compound_607	COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(cn1)C(=O)N	0.47	0.522	0.083	0.399	0.088	0.407	0.009	0.255	0.086	0.017	0.38
Compound_608	OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2cc3c(s2)cccc3)F)[C@@H]([C@H]([C@@H]1O)O)O	0.659	0.471	0.992	0.592	0.637	0.576	0.114	0.685	0.571	0.129	0.484
Compound_609	Fc1cc(CNCCC2CCOCC2)ccc1Oc1ccc(cn1)C(=O)N	0.704	0.475	0.022	0.37	0.161	0.404	0.007	0.187	0.139	0.009	0.309
Compound_610	O[C@H]1C[C@H](O)CC(=C/C=C/[C@@H]2CC[C@](C2(C)C)(C)CCC#CC(C(F)(F)F)(C(F)(F)F)O)C1	0.944	0.709	0.185	0.786	0.94	0.946	0.735	0.986	0.365	0.969	0.506
Compound_611	CCOc1c(OCC)cc2c(c1F)C(=N)N(C2)CC(=O)c1cc(N2CCOCC2)c(c(c1)C(C)(C)C)OC	0.615	0.662	0.689	0.445	0.256	0.564	0.445	0.887	0.485	0.922	0.507
Compound_612	O=C(Nc1cccc(c1Cl)F)Nc1ccc(c(c1O)S(=O)(=O)N1CCNCC1)Cl	0.331	0.42	0.293	0.386	0.69	0.648	0.057	0.66	0.393	0.123	0.377
Compound_613	O=C(OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1)CCCc1ccccc1	0.831	0.621	0.363	0.725	0.874	0.911	0.995	0.231	0.369	0.947	0.926
Compound_614	OC[C@H]1O[C@]2(ON=C(C2)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O	0.727	0.575	0.047	0.49	0.159	0.49	0.13	0.195	0.246	0.083	0.663
Compound_615	OC[C@H]1O[C@]2(ON[C@@H](C2)c2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O)O)O	0.534	0.56	0.019	0.379	0.045	0.489	0.003	0.03	0.366	0.052	0.366
Compound_616	OC[C@H]1O[C@]2(ON[C@@H](C2)c2ccc3c(c2)cccc3)[C@@H]([C@H]([C@@H]1O)O)O	0.516	0.644	0.163	0.398	0.161	0.802	0.164	0.266	0.479	0.071	0.542
Compound_617	N#C[C@@](NC(=O)[C@@H](NC(=O)N1CCOCC1)CC1CCCCC1)(COCc1ccccc1)C	0.217	0.359	0.135	0.347	0.144	0.359	0.139	0.643	0.406	0.776	0.766
Compound_618	O=C(c1cnc2c(n1)cccc2)N1C[C@H]([C@H](C1)N)C(=O)N1CCCC1	0.224	0.449	0.054	0.382	0.161	0.196	0.009	0.047	0.301	0.234	0.161
Compound_619	O[C@@H](C(=O)O)CNC(=O)NCc1ccccc1	0.06	0.231	0.033	0.214	0.007	0.042	0.008	0.021	0.221	0.016	0.048
Compound_620	SCCNC(=NS(=O)(=O)c1ccc(cc1)N)O	0.107	0.217	0.173	0.394	0.228	0.417	0.0	0.011	0.146	0.0	0.117
Compound_621	N#Cc1cnn2c1nc(Cl)cc2NC(C)C	0.2	0.607	0.278	0.503	0.309	0.558	0.016	0.079	0.208	0.087	0.336
Compound_622	OCC(=O)N1CCN(CC1)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C(C)C)C	0.473	0.611	0.364	0.51	0.29	0.623	0.078	0.26	0.423	0.09	0.29
Compound_623	O=C(Nc1ccc(cc1F)n1ccccc1=O)CN1C[C@@H]([C@H](C1)F)NC(=O)c1ccc(s1)Cl	0.567	0.525	0.005	0.447	0.735	0.812	0.615	0.839	0.48	0.025	0.306
Compound_624	O=C(Nc1ccc(cc1F)n1ccccc1=O)CN1C[C@@H]([C@H](C1)O)NC(=O)c1ccc(s1)Cl	0.596	0.538	0.002	0.4	0.692	0.747	0.38	0.667	0.419	0.142	0.453
Compound_625	OC(=O)N1CCC(CC1)Cc1cnc2c(c1)cccc2	0.101	0.457	0.747	0.444	0.183	0.722	0.068	0.777	0.539	0.206	0.247
Compound_626	COCCNS(=O)(=O)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C(C)C)C	0.522	0.599	0.008	0.221	0.302	0.49	0.071	0.596	0.348	0.084	0.529
Compound_627	CNS(=O)(=O)c1ccc(cc1)Nc1nccc(n1)c1cnc(n1C1CC1)C	0.475	0.559	0.057	0.249	0.431	0.57	0.073	0.24	0.28	0.037	0.666
Compound_628	O=C(c1ccccc1)Nc1c[nH]nc1c1nc2c([nH]1)cccc2	0.359	0.796	0.967	0.629	0.565	0.717	0.894	0.341	0.481	0.494	0.784
Compound_629	O=C(Nc1c[nH]nc1c1nc2c([nH]1)ccc(c2)CN1CCOCC1)NC1CC1	0.347	0.503	0.529	0.369	0.572	0.696	0.614	0.122	0.439	0.159	0.431
Compound_630	COc1cc2CCN=C(c2cc1Cl)c1cccc(c1)Br	0.678	0.731	0.918	0.684	0.682	0.633	0.139	0.358	0.657	0.244	0.858
Compound_631	OC(=O)N1CCC(CC1)Cc1cccc(c1)Oc1ccc(cn1)C(F)(F)F	0.518	0.485	0.09	0.536	0.372	0.645	0.43	0.936	0.135	0.03	0.353
Compound_632	Cn1nc(c2c1c1nc(ncc1CC2)Nc1ccccc1)C(=O)O	0.662	0.689	0.444	0.476	0.333	0.581	0.888	0.352	0.799	0.094	0.526
Compound_633	NC[C@@H]1OCCN(C1)c1c(Br)cnc2c1c[nH]n2	0.132	0.726	0.71	0.406	0.559	0.696	0.005	0.272	0.387	0.052	0.278
Compound_634	NC[C@@H]1OCCN(C1)c1c(cnc2c1c[nH]n2)c1ccccc1	0.212	0.644	0.693	0.485	0.5	0.811	0.417	0.138	0.364	0.025	0.385
Compound_635	Nc1[nH]c2c(n1)cc1c(c2)nc([nH]c1=O)N	0.512	0.659	0.945	0.509	0.423	0.672	0.174	0.341	0.447	0.028	0.507
Compound_636	OC(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1cccc(c1)C)C(=O)N	0.314	0.613	0.072	0.335	0.487	0.643	0.916	0.007	0.504	0.002	0.181
Compound_637	O=C([C@@H]1CCCN1C(=O)CCC1CCCCC1)NCc1ccc(cc1)C(=N)N	0.273	0.371	0.096	0.383	0.028	0.816	0.726	0.568	0.261	0.045	0.059
Compound_638	O=C([C@@H]1CCCN1C(=O)COC1CCCCC1)NCc1ccc(cc1)C(=N)N	0.247	0.406	0.058	0.422	0.014	0.471	0.183	0.448	0.236	0.011	0.054
Compound_639	O=C([C@@H]1CCCN1C(=O)CCC1CCCC1)NCc1ccc(cc1)C(=N)N	0.256	0.348	0.096	0.383	0.023	0.572	0.176	0.568	0.225	0.014	0.062
Compound_640	O=C([C@@H]1CCCN1C(=O)COC1CCCC1)NCc1ccc(cc1)C(=N)N	0.236	0.35	0.058	0.422	0.013	0.415	0.148	0.448	0.226	0.005	0.054
Compound_641	Fc1cccc(c1)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N	0.384	0.499	0.351	0.336	0.049	0.393	0.389	0.051	0.265	0.01	0.079
Compound_642	CSc1sc(c2c1cccc2)C(=O)N1CCC2(CC1)COc1c2cc(CN)cc1	0.601	0.572	0.903	0.564	0.586	0.843	0.558	0.939	0.42	0.001	0.275
Compound_643	NCc1ccc2c(c1)C1(CCN(CC1)C(=O)/C=C/c1ccccc1)CO2	0.399	0.615	0.681	0.754	0.172	0.98	0.433	0.813	0.569	0.006	0.308
Compound_644	Cc1cccc(c1)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N	0.383	0.479	0.405	0.285	0.015	0.275	0.447	0.031	0.337	0.006	0.149
Compound_645	CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)Cl)N	0.172	0.416	0.763	0.345	0.029	0.117	0.165	0.107	0.271	0.078	0.063
Compound_646	O=C([C@@H]1CCCN1C(=O)CNC1CCCCCC1)NCc1ccc(cc1)C(=N)N	0.207	0.32	0.004	0.252	0.097	0.564	0.331	0.091	0.25	0.021	0.074
Compound_647	CC(C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)Cl)N)C	0.172	0.421	0.86	0.354	0.031	0.134	0.165	0.103	0.286	0.01	0.058
Compound_648	CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)N	0.178	0.346	0.501	0.322	0.008	0.281	0.116	0.6	0.222	0.032	0.031
Compound_649	O=C([C@@H]1CCCN1C(=O)CNC1CCCCCCC1)NCc1ccc(cc1)C(=N)N	0.231	0.32	0.004	0.252	0.015	0.625	0.526	0.091	0.316	0.021	0.463
Compound_650	O=C([C@@H]1CCCN1C(=O)CCc1ccccc1)NCc1ccc(cc1)C(=N)N	0.344	0.503	0.074	0.402	0.035	0.705	0.666	0.743	0.233	0.06	0.08
Compound_651	CCCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N	0.156	0.408	0.105	0.382	0.008	0.281	0.116	0.596	0.215	0.04	0.063
Compound_652	CC(CCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)C	0.156	0.434	0.447	0.376	0.009	0.304	0.116	0.597	0.214	0.015	0.052
Compound_653	SCCCC(=O)NC1CCN(CC1)Cc1ccccc1	0.167	0.299	0.025	0.147	0.022	0.499	0.014	0.0	0.48	0.048	0.099
Compound_654	SCCNC(=O)[C@H]1NCCN(C1)Cc1ccc(cc1)F	0.108	0.377	0.019	0.125	0.045	0.208	0.0	0.046	0.42	0.015	0.12
Compound_655	SCCCNC(=O)[C@H]1NCCN(C1)Cc1ccc(cc1)F	0.065	0.377	0.029	0.115	0.045	0.208	0.0	0.051	0.475	0.017	0.115
Compound_656	SCCCC(=O)NC1CCN(CC1)Cc1cc(Br)cc(c1OC)OC	0.193	0.482	0.109	0.157	0.686	0.63	0.007	0.012	0.471	0.004	0.067
Compound_657	C[C@@H]1NCCN(C1)c1ccc2c(c1)n1cncc1c(n2)Nc1c(C)cccc1Cl	0.377	0.514	0.074	0.372	0.612	0.589	0.978	0.501	0.33	0.056	0.067
Compound_658	Clc1ccccc1Nc1ncc(n2c1cnc2)c1ccccc1	0.539	0.737	0.564	0.758	0.655	0.784	0.975	0.816	0.919	0.78	0.215
Compound_659	CC(C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(=N)N)N)C	0.178	0.391	0.607	0.332	0.009	0.304	0.116	0.59	0.241	0.007	0.029
Compound_660	O=C([C@@H]1CCCN1C(=O)CNC1CCCCC1)NCc1ccc(cc1)C(=N)N	0.181	0.305	0.004	0.252	0.024	0.553	0.223	0.091	0.259	0.079	0.058
Compound_661	Clc1ccc(cc1)CNCCN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(n1)N	0.26	0.575	0.118	0.29	0.426	0.863	0.042	0.231	0.28	0.008	0.033
Compound_662	Clc1cccc(c1)CNCCN[C@H]1CNC[C@@H]1Cc1cc(C)cc(n1)N	0.337	0.575	0.199	0.298	0.427	0.822	0.061	0.264	0.33	0.008	0.033
Compound_663	N#Cc1ccc(cc1C(F)(F)F)NC(=O)[C@](COc1ccc(c(c1)F)Cl)(O)C	0.567	0.558	0.818	0.667	0.859	0.566	0.98	0.834	0.422	0.651	0.767
Compound_664	N#Cc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)I)C#N)(O)C	0.356	0.588	0.171	0.605	0.799	0.549	0.861	0.373	0.414	0.294	0.715
Compound_665	N#Cc1ccc(cc1C(F)(F)F)N[C@@H]([C@](COc1ccc(cc1)N(=O)=O)(O)C)O	0.669	0.642	0.596	0.635	0.949	0.6	0.268	0.685	0.28	0.474	0.733
Compound_666	O=C([C@](COc1c(F)c(F)c(c(c1F)F)F)(O)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.84	0.67	0.022	0.653	0.679	0.873	0.882	0.862	0.416	0.826	0.604
Compound_667	O=C(OC(C)(C)C)NCc1c[nH]c2c1c(=O)[nH]c(n2)N	0.341	0.464	0.072	0.348	0.155	0.674	0.013	0.36	0.336	0.036	0.436
Compound_668	N#Cc1ccc(cc1)N1C(=O)c2c(C1=O)c(C)ccc2	0.891	0.736	0.708	0.495	0.835	0.584	0.97	0.376	0.868	0.931	0.891
Compound_669	Oc1ccc(cc1N1C(=O)c2c(C1=O)c(C)ccc2)c1ccccc1	0.802	0.707	0.908	0.739	0.916	0.861	0.964	0.905	0.601	0.886	0.361
Compound_670	Clc1nccc(c1)N1C(=O)c2c(C1=O)c(C)ccc2	0.625	0.669	0.822	0.467	0.279	0.327	0.03	0.236	0.68	0.509	0.72
Compound_671	Nc1nc2cc3[nH]c(nc3cc2c(=O)[nH]1)NCCN1CCOCC1	0.424	0.51	0.317	0.205	0.445	0.66	0.012	0.172	0.282	0.015	0.128
Compound_672	F[C@H]1CCN(C1)C(=O)[C@H]([C@@H]([C@@H]1ON[C@@H](N1)c1ccc(cc1F)S(=O)(=O)C)CC1CC1)N	0.487	0.493	0.606	0.423	0.475	0.547	0.16	0.846	0.394	0.061	0.418
Compound_673	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(Cl)cn2)F	0.527	0.574	0.994	0.651	0.493	0.713	0.974	0.852	0.437	0.104	0.545
Compound_674	CCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cccnc1)F	0.484	0.569	0.991	0.682	0.554	0.678	0.987	0.637	0.414	0.022	0.564
Compound_675	CN(c1nccc(n1)c1cnc2n1cccc2)C1CCCCC1	0.353	0.735	0.013	0.387	0.717	0.657	0.295	0.211	0.668	0.226	0.462
Compound_676	CCc1ccsc1c1ccc(c(c1)O)O	0.781	0.526	0.821	0.706	0.669	0.581	0.932	0.973	0.384	0.947	0.358
Compound_677	C[C@@H]1CN(CCN1S(=O)(=O)c1ccc(cc1)[C@@](C(F)(F)F)(O)C)CC1(CC1)C(=O)N	0.028	0.603	0.014	0.283	0.362	0.275	0.253	0.054	0.375	0.272	0.26
Compound_678	ON=C1CCc2c1ccc(c2)c1cn(nc1c1ccncc1)C1CCNCC1	0.32	0.562	0.434	0.565	0.558	0.717	0.513	0.297	0.365	0.004	0.401
Compound_679	OC(=O)[C@@H](NC(=O)N[C@H](C(=O)O)CCC(=O)O)CSCc1ccc(cc1)F	0.217	0.235	0.292	0.267	0.414	0.073	0.029	0.037	0.365	0.056	0.114
Compound_680	Oc1ccc2c(c1)C=CC1=CCC=C[C@@H]1N2Cc1cnc2c(n1)c(N)nc(n2)N	0.674	0.509	0.347	0.523	0.839	0.692	0.253	0.99	0.832	0.237	0.778
Compound_681	CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c1ccccc1)c1ccccc1)N	0.391	0.43	0.111	0.189	0.021	0.128	0.547	0.008	0.28	0.043	0.176
Compound_682	CCC[C@@H](c1c[nH]c2c1cccc2)C(=O)O	0.093	0.469	0.225	0.332	0.191	0.619	0.06	0.413	0.237	0.022	0.237
Compound_683	O=C1N=C(CC(=N1)c1ccccc1)c1ccc(c(c1)C)O	0.536	0.56	0.432	0.559	0.844	0.982	0.13	0.948	0.704	0.002	0.081
Compound_684	NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(=C2)CC1CCCCCC1	0.657	0.53	0.45	0.447	0.484	0.724	0.44	0.03	0.304	0.276	0.462
Compound_685	Fc1ccc(cc1)COc1nc(Cl)c2n(c1=O)[C@@H](C=C2)C(=O)N1CCCC1	0.604	0.51	0.654	0.557	0.196	0.562	0.048	0.759	0.395	0.104	0.199
Compound_686	CC(=O)O[C@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1cccc(c1)Cl	0.656	0.598	0.872	0.548	0.397	0.419	0.996	0.823	0.372	0.708	0.669
Compound_687	FCCOc1cccc(c1)NC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O	0.409	0.68	0.78	0.57	0.777	0.376	0.993	0.609	0.394	0.361	0.71
Compound_688	Cn1ncc(c1)c1ccc2n(n1)c(nn2)Sc1ccc2c(c1)cccn2	0.52	0.63	0.595	0.585	0.667	0.648	0.752	0.768	0.815	0.409	0.427
Compound_689	OC(=O)CCc1ccc(s1)c1cccc(c1)N(=O)=O	0.718	0.506	0.94	0.417	0.385	0.466	0.958	0.74	0.486	0.037	0.393
Compound_690	n1ccc(cc1)c1n[nH]c2c1cccc2	0.301	0.746	0.993	0.622	0.608	0.691	0.02	0.468	0.798	0.17	0.798
Compound_691	CC(CCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(c1)Cl)C	0.17	0.489	0.896	0.393	0.031	0.134	0.165	0.272	0.279	0.037	0.059
Compound_692	OCCn1c2ccccc2c2c1c1CCc3c(c1c1c2C=NC1=O)ccc(c3)OC(C)C	0.498	0.581	0.892	0.725	0.908	0.913	0.995	0.614	0.346	0.011	0.132
Compound_693	FCC[C@H]1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N	0.554	0.596	0.24	0.311	0.175	0.706	0.01	0.282	0.603	0.067	0.613
Compound_694	Clc1cccc(c1)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)N	0.271	0.398	0.478	0.346	0.083	0.454	0.405	0.142	0.31	0.017	0.093
Compound_695	NC(=O)C[C@@H]1CCCc2c1c1c(=O)[nH]c(nc1s2)C(=O)NCc1ccc2c(c1)NC(=O)CO2	0.698	0.515	0.453	0.39	0.437	0.573	0.245	0.054	0.425	0.258	0.365
Compound_696	CC(Nc1ccc2c(c1)n(nc2)c1cncc(n1)n1ccc(c1)CC(=O)O)C	0.23	0.574	0.415	0.331	0.621	0.641	0.978	0.295	0.02	0.019	0.368
Compound_697	Nc1[nH]nc2c1cc(cc2)c1ccccc1	0.28	0.776	0.983	0.609	0.695	0.716	0.962	0.26	0.85	0.558	0.344
Compound_698	Nc1[nH]nc2c1cc(cc2)c1ccc(cc1)S(=O)(=O)NC(C)(C)C	0.099	0.447	0.229	0.322	0.652	0.671	0.958	0.689	0.26	0.425	0.434
Compound_699	NCc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cccc(c1C(=N2)N)F	0.558	0.528	0.101	0.422	0.459	0.711	0.21	0.764	0.493	0.002	0.106
Compound_700	CCOC(=O)N1CCC(CC1)Nc1nccc(c1)Cl	0.092	0.423	0.169	0.482	0.046	0.406	0.018	0.404	0.348	0.907	0.286
Compound_701	O=C(c1ccoc1)NCC[C@H]1N=C(N)c2c(N1)c(F)ccc2F	0.578	0.638	0.055	0.315	0.379	0.675	0.062	0.095	0.532	0.008	0.168
Compound_702	CCN1c2c(F)ccc(c2C(=NC21CCN(CC2)C(=O)C1=CN=C(CC1)C#N)N)F	0.628	0.656	0.323	0.458	0.407	0.681	0.109	0.871	0.46	0.019	0.361
Compound_703	NC[C@H](c1ccccc1)NC(=O)c1ccc(s1)c1ccnc2c1cc[nH]2	0.399	0.547	0.623	0.448	0.52	0.691	0.99	0.414	0.49	0.028	0.316
Compound_704	OC[C@H](CC1(CC1)S(=O)(=O)Nc1c(OC)cc(c(c1Nc1ccc(cc1F)I)F)F)O	0.612	0.589	0.831	0.581	0.631	0.499	0.373	0.634	0.403	0.529	0.63
Compound_705	CCC[C@H]1COc2c(C(=N)N1)scc2	0.477	0.497	0.485	0.516	0.313	0.63	0.007	0.909	0.615	0.563	0.321
Compound_706	NC1=N[C@H](COc2ccc3c(c2)CNCC3)COc2c1scc2	0.391	0.468	0.096	0.338	0.466	0.667	0.067	0.209	0.445	0.145	0.199
Compound_707	O=C(Cc1cccc(c1)Cl)OC[C@@H]1CCCN1C(=O)CNC(=O)OC(C)(C)C	0.172	0.565	0.038	0.336	0.106	0.12	0.107	0.18	0.374	0.502	0.222
Compound_708	CC(C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccccc1)C	0.202	0.47	0.154	0.254	0.286	0.195	0.623	0.147	0.353	0.07	0.109
Compound_709	COc1cc(ccc1Nc1nc(Nc2cccc(c2C(=O)N)F)c2c(n1)[nH]cc2)CS(=O)(=O)C	0.625	0.596	0.725	0.427	0.537	0.672	0.944	0.095	0.511	0.105	0.61
Compound_710	OC[C@@H](NC(=O)c1sc(nc1C)c1ccnc(n1)Nc1cc(C)cc(c1)C)C	0.557	0.709	0.861	0.392	0.235	0.654	0.405	0.26	0.436	0.11	0.489
Compound_711	O=C(N1CC(C[C@H]1C(=O)N1CCCC1)(F)F)CCN1C(=O)c2c(C1=O)cccc2	0.56	0.594	0.679	0.638	0.413	0.638	0.465	0.776	0.264	0.545	0.429
Compound_712	COc1ccc(cc1)S(=O)(=O)n1cc(c2c1ccc(c2)OC)CCC(=O)O	0.383	0.575	0.424	0.39	0.436	0.645	0.993	0.007	0.176	0.029	0.211
Compound_713	Cc1ccc(cc1NS(=O)(=O)C)Nc1ncnc(c1)c1ccccc1	0.658	0.462	0.894	0.633	0.761	0.825	0.862	0.783	0.483	0.03	0.571
Compound_714	C[C@@H](c1ccc(cc1)F)NC1=NC(=O)[C@](S1)(C)C(O)(C)C	0.243	0.488	0.091	0.582	0.03	0.161	0.006	0.335	0.404	0.325	0.372
Compound_715	c1[nH]c2c(c1)cc(cc2)OCCn1cccc1	0.448	0.616	0.978	0.501	0.493	0.687	0.008	0.595	0.78	0.765	0.809
Compound_716	C1CN[C@H](C1)COc1ccc(cc1)NCc1ccccc1	0.267	0.484	0.44	0.198	0.592	0.813	0.014	0.176	0.345	0.42	0.347
Compound_717	O=C(c1ccc(cc1)c1cscc1)c1ccc(cc1)OC[C@H]1CCCN1	0.263	0.437	0.134	0.49	0.607	0.909	0.754	0.445	0.502	0.041	0.241
Compound_718	C#CCN1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(o1)Br	0.36	0.679	0.605	0.319	0.488	0.637	0.18	0.884	0.448	0.487	0.274
Compound_719	O=N(=O)CC(C[C@H](C(=O)O)Cc1ccccc1)(O)O	0.493	0.221	0.079	0.281	0.054	0.241	0.19	0.828	0.262	0.003	0.42
Compound_720	C[C@@H]1CNc2c(C(=O)N1)sc1c2c2ccc(nc2cc1)c1ccc(nc1)C	0.575	0.637	0.943	0.648	0.679	0.639	0.995	0.768	0.377	0.007	0.474
Compound_721	COc1cc2c3NC[C@H](NC(=O)c3sc2cc1)CN	0.429	0.597	0.841	0.511	0.529	0.587	0.042	0.277	0.431	0.005	0.486
Compound_722	CSc1nc2ccccc2c(=O)n1c1c(F)cccc1F	0.63	0.584	0.829	0.569	0.649	0.242	0.965	0.284	0.443	0.198	0.41
Compound_723	ON=C1c2c(cccc2N(C1=O)Cc1cc(F)cc2c1OCOC2)/C=C/c1ccccc1	0.661	0.668	0.99	0.687	0.564	0.828	0.964	0.857	0.511	0.652	0.435
Compound_724	ON=C1C(=O)N(c2c1c(ccc2)c1ccccc1)Cc1cc(F)cc2c1OCOC2	0.518	0.698	0.997	0.647	0.525	0.842	0.955	0.891	0.494	0.445	0.445
Compound_725	Fc1ccc(c(c1)F)n1ncc2c1n(C)c(=O)cc2Nc1cc(ccc1C)C(=O)NC1CC1	0.599	0.67	0.377	0.492	0.74	0.679	0.802	0.606	0.573	0.002	0.095
Compound_726	COC(=O)C[C@@H](C(=O)C)NC(=O)OC(C)(C)C	0.102	0.079	0.112	0.41	0.069	0.056	0.014	0.82	0.396	0.023	0.257
Compound_727	CNc1ccc(cc1C(=O)Nc1scc(n1)C)Sc1nncn1C	0.589	0.58	0.933	0.514	0.386	0.694	0.022	0.912	0.541	0.57	0.293
Compound_728	Cc1cccc(n1)c1nc(Nc2ccc3c(c2)cn[nH]3)c2c(n1)cccc2	0.644	0.837	1.0	0.629	0.769	0.689	0.96	0.965	0.763	0.052	0.48
Compound_729	COc1ccc(cc1C[C@H](c1c[nH]c(n1)N)c1ccc(c(c1)F)OC)N(=O)=O	0.512	0.652	0.629	0.6	0.697	0.728	0.134	0.939	0.502	0.951	0.863
Compound_730	N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cccc(c1)S(=O)(=O)C)Cc1cccc(c1)Cl	0.228	0.434	0.049	0.229	0.137	0.648	0.574	0.053	0.363	0.015	0.176
Compound_731	CN1CCN(CC1)S(=O)(=O)c1cc2c(cc1C)C[C@@H](NS2(=O)=O)C1CCCC1	0.313	0.624	0.14	0.185	0.111	0.657	0.009	0.005	0.336	0.196	0.105
Compound_732	O=C(N[C@H](C(=O)N[C@H]([P@](=O)(O[C@H](C(=O)O)Cc1ccccc1)O)C)C)OCc1ccccc1	0.269	0.625	0.053	0.201	0.354	0.427	0.11	0.173	0.32	0.036	0.288
Compound_733	NC[C@@H]1CCCN1	0.011	0.212	0.014	0.244	0.012	0.029	0.0	0.014	0.391	0.016	0.148
Compound_734	SCCCC(=O)NC1CCN(CC1)Cc1c(OC)cccc1OC	0.082	0.495	0.051	0.152	0.062	0.265	0.01	0.005	0.539	0.001	0.048
Compound_735	OC(=O)C(=O)CCCc1ccccc1	0.517	0.093	0.112	0.233	0.029	0.047	0.985	0.089	0.029	0.004	0.026
Compound_736	CCOC(=O)[C@H](c1ccc(cc1)O[C@@H]1CNCC1)Cc1ccc2c(c1)cc(cc2)C(N)N	0.165	0.519	0.091	0.547	0.569	0.729	0.784	0.125	0.284	0.031	0.121
Compound_737	CC(C[C@@H]1CN(CCN1C(=O)c1ncc(cn1)c1ccncc1)S(=O)(=O)c1cc2c([nH]1)ccc(c2)Cl)C	0.453	0.623	0.959	0.473	0.655	0.657	0.997	0.526	0.365	0.205	0.182
Compound_738	Nc1nc2cc3[nH]c(nc3cc2c(=O)[nH]1)NCc1cccs1	0.557	0.613	0.934	0.447	0.542	0.673	0.12	0.42	0.469	0.005	0.278
Compound_739	O=NC(=O)CNS(=O)(=O)c1ccc(cc1)c1ccccc1	0.477	0.437	0.085	0.326	0.233	0.305	0.049	0.337	0.302	0.054	0.166
Compound_740	O=NC(=O)CNS(=O)(=O)c1ccc(cc1)F	0.441	0.353	0.017	0.163	0.047	0.322	0.01	0.254	0.208	0.031	0.318
Compound_741	O=NC(=O)CNS(=O)(=O)c1ccccc1	0.254	0.365	0.029	0.107	0.041	0.401	0.008	0.113	0.298	0.015	0.14
Compound_742	O=C(Nc1cccc2c1cccc2)Nc1cc(nn1c1cccc(c1)N)C(C)(C)C	0.432	0.653	0.612	0.511	0.824	0.787	0.326	0.953	0.766	0.037	0.468
Compound_743	CCOc1ccn(c(=O)c1C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)c1ccc(cc1)F	0.668	0.607	0.691	0.642	0.788	0.708	0.989	0.717	0.525	0.015	0.741
Compound_744	CC(=O)Nc1nc(c([nH]1)c1ccc2c(c1)nccn2)c1ccc(c(n1)C)F	0.302	0.664	0.778	0.529	0.529	0.69	0.996	0.567	0.559	0.068	0.485
Compound_745	NS(=O)(=O)c1ccc2c(c1)nc([nH]2)c1cscn1	0.284	0.304	0.02	0.203	0.539	0.662	0.047	0.002	0.31	0.037	0.098
Compound_746	O/N=C/1\C[C@H](Cc2c1c(C)nc(n2)N)c1ccc(cc1c1cccnc1)F	0.542	0.622	0.865	0.571	0.585	0.817	0.722	0.895	0.429	0.004	0.645
Compound_747	OC(=O)c1cccc2c1n(Cc1ccccc1)c1c2CCCC1	0.365	0.546	0.314	0.331	0.911	0.885	0.896	0.219	0.479	0.191	0.313
Compound_748	C/C(=C\CNCCNC1C2CC3CC1CC(C2)C3)/CCC=C(C)C	0.2	0.331	0.086	0.293	0.273	0.682	0.408	0.201	0.289	0.036	0.233
Compound_749	O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)/C=C/c1ccc(cc1N(=O)=O)N(=O)=O)Cc1cccs1	0.338	0.354	0.134	0.299	0.648	0.399	0.014	0.912	0.391	0.817	0.326
Compound_750	O=C1Nc2ccc(cc2[C@@]2(N(C1)CCO2)c1ccccc1F)Br	0.481	0.689	0.852	0.315	0.646	0.652	0.128	0.248	0.438	0.354	0.382
Compound_751	c1cc(nc(n1)Nc1ccc2c(c1)[nH]cn2)Nc1n[nH]c(c1)C1CC1	0.489	0.652	0.273	0.398	0.627	0.658	0.625	0.343	0.411	0.103	0.729
Compound_752	CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)c1ccc(cc1)CNCc1n[nH]nc1	0.636	0.584	0.035	0.372	0.481	0.639	0.981	0.643	0.39	0.009	0.255
Compound_753	COc1cc(cc(c1)c1ccccc1)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.589	0.482	0.262	0.621	0.768	0.844	0.596	0.813	0.483	0.53	0.742
Compound_754	O=C(Nc1ncc(s1)CCNc1ncnc2c1scc2)Nc1cccc(c1)Cl	0.563	0.465	0.988	0.546	0.531	0.709	0.84	0.498	0.64	0.084	0.164
Compound_755	NCCON=C1CC[C@]2([C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.465	0.699	0.02	0.369	0.635	0.838	0.023	0.042	0.248	0.001	0.443
Compound_756	Clc1ccc(c(c1)Cl)[C@H]1C2=C(Nc3c(N1C(=O)C)cccc3O)CC(CC2=O)(C)C	0.635	0.698	0.865	0.649	0.841	0.602	0.084	0.853	0.436	0.891	0.649
Compound_757	N#Cc1cc(ccc1F)CN1CCC(CC1)Nc1ncnc2c1cc(s2)Cl	0.611	0.454	0.946	0.306	0.422	0.729	0.876	0.505	0.68	0.949	0.361
Compound_758	Clc1ccc(c(c1Oc1ccccc1)F)Cc1ccc(=O)[nH]n1	0.831	0.681	0.454	0.518	0.914	0.771	0.734	0.438	0.754	0.19	0.685
Compound_759	O=C(c1ccc2c(c1)cccc2)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.877	0.726	0.967	0.591	0.693	0.717	0.455	0.954	0.4	0.982	0.732
Compound_760	Cc1cc(Nc2ccc(cc2)C(F)(F)F)n2c(n1)ncn2	0.438	0.771	0.325	0.561	0.442	0.713	0.357	0.353	0.222	0.112	0.674
Compound_761	O=C(N1CCN(CC1)C(=O)c1cc(ccc1F)Cc1n[nH]c(=O)c2c1cccc2)C1CC1	0.377	0.577	0.655	0.442	0.255	0.52	0.154	0.856	0.466	0.028	0.079
Compound_762	COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N	0.28	0.562	0.065	0.238	0.263	0.232	0.114	0.77	0.516	0.005	0.593
Compound_763	O=C(NCCc1c[nH]cn1)CCCC(=O)O	0.082	0.302	0.018	0.153	0.157	0.736	0.001	0.191	0.354	0.002	0.133
Compound_764	CCN1c2cc3c(cc2C(C1=O)(C)C)[nH]c1c3CCCc2c1[nH]nc2C	0.632	0.687	0.485	0.479	0.641	0.653	0.985	0.742	0.558	0.568	0.604
Compound_765	CCCCCC(=O)N[C@H](C(=O)O)CCO	0.013	0.114	0.006	0.202	0.037	0.023	0.001	0.038	0.177	0.018	0.088
Compound_766	NC[C@H](C[P@@H](=O)O)F	0.131	0.183	0.01	0.28	0.412	0.181	0.001	0.05	0.382	0.025	0.349
Compound_767	NCC(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)c1ccccc1	0.094	0.349	0.007	0.144	0.01	0.04	0.004	0.008	0.252	0.02	0.14
Compound_768	Brc1cc(/C=C/c2ccccc2)cc(c1O)Br	0.9	0.663	0.833	0.688	0.678	0.821	0.987	0.992	0.573	0.998	0.995
Compound_769	O=C(c1cc(C)c(c(c1)C)O)Nc1cc(Br)c(c(c1)Br)O	0.763	0.749	0.963	0.757	0.604	0.654	0.69	0.954	0.637	0.776	0.672
Compound_770	ClN(C(CS(=O)(=O)O)(C)C)Cl	0.256	0.232	0.003	0.336	0.079	0.203	0.803	0.235	0.39	0.117	0.538
Compound_771	CNS(=O)(=O)c1ccc(cc1)Nc1ncc(c(n1)N[C@@H]1CCC[C@H]1N(C)C)C(F)(F)F	0.315	0.609	0.001	0.157	0.197	0.32	0.439	0.398	0.115	0.248	0.678
Compound_772	CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(c(c1)F)F)C	0.603	0.662	0.899	0.502	0.835	0.69	0.975	0.852	0.496	0.813	0.659
Compound_773	N#Cc1ccc(c(c1)F)COc1ccc2c(c1)ccc(c2)S(=O)(=O)N[C@@H](C(=O)O)CCC(=O)O	0.305	0.455	0.133	0.394	0.755	0.671	0.559	0.619	0.402	0.257	0.5
Compound_774	COc1cc(cc(c1)c1c(C)cccc1C)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.551	0.482	0.25	0.579	0.751	0.83	0.596	0.819	0.478	0.53	0.742
Compound_775	O=C(N1CCC[C@H]1C(=O)N1CCCC1)CCn1c2ccccc2nc(c1=O)c1ccccc1	0.541	0.707	0.205	0.737	0.632	0.641	0.139	0.508	0.176	0.015	0.173
Compound_776	Nc1nc(c2ccco2)c2c(n1)n(nn2)Cc1ccc(c(c1)C)N	0.422	0.74	0.983	0.568	0.56	0.664	0.941	0.288	0.681	0.002	0.741
Compound_777	O[C@H]1C[C@@H](O[C@@H]1CN1CCCCC1)n1cc(C)c(=O)[nH]c1=O	0.505	0.393	0.002	0.098	0.066	0.035	0.002	0.006	0.1	0.084	0.43
Compound_778	N#Cc1cc(cc(c1)C)Oc1ccc(cc1Br)Cc1n[nH]c2c1ccnn2	0.631	0.66	0.984	0.616	0.708	0.657	0.864	0.827	0.522	0.375	0.788
Compound_779	CN1CCN(CC1)c1cnc2c(n1)c(cc(c2)C(F)(F)F)c1cccc(c1)O	0.125	0.645	0.734	0.412	0.654	0.59	0.71	0.81	0.227	0.141	0.647
Compound_780	OC(=O)[C@H]1C[C@]21C[C@H](NC2=O)c1ccc(cc1)OCc1cc(nc2c1cccc2)c1ccccc1	0.554	0.524	0.253	0.587	0.906	0.837	0.989	0.609	0.409	0.026	0.871
Compound_781	O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl	0.717	0.577	0.947	0.831	0.697	0.671	0.997	0.468	0.423	0.661	0.13
Compound_782	Brc1ccc(cc1)C(=O)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.86	0.656	0.893	0.545	0.694	0.669	0.072	0.267	0.401	0.967	0.63
Compound_783	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(NCc2ccc(c(c2)Cl)Cl)nc2c1ncnc2N	0.544	0.716	0.942	0.559	0.294	0.632	0.032	0.997	0.429	0.485	0.908
Compound_784	Clc1ccc(cc1)C(=O)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.845	0.663	0.893	0.545	0.693	0.713	0.124	0.267	0.394	0.971	0.754
Compound_785	N#Cc1cc(cc(c1)C#N)Oc1c(F)ccc2c1c(C)n[nH]2	0.755	0.669	0.997	0.629	0.897	0.679	0.864	0.734	0.665	0.944	0.971
Compound_786	CCCCOc1nc(NCCN2CCOCC2)c2c(n1)n(cn2)Cc1c(F)cccc1F	0.621	0.549	0.087	0.252	0.558	0.807	0.794	0.469	0.34	0.589	0.445
Compound_787	Cc1cc(Nc2ccc3c(c2)cc2c(c3)cccc2)n2c(n1)ncn2	0.442	0.75	0.639	0.567	0.54	0.742	0.976	0.545	0.436	0.308	0.527
Compound_788	CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc1ncnc2c1nc[nH]2	0.43	0.495	0.754	0.394	0.318	0.834	0.102	0.52	0.424	0.368	0.379
Compound_789	COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F	0.678	0.636	0.975	0.517	0.831	0.602	0.977	0.884	0.576	0.075	0.716
Compound_790	O=C(c1c(C)cccc1C)Nc1cc(Br)c(c(c1)Br)O	0.856	0.705	0.962	0.823	0.607	0.654	0.739	0.947	0.584	0.906	0.733
Compound_791	O=C(c1ccc(cc1)C(C)(C)C)N/N=C/c1cc(Br)c(c(c1O)Br)O	0.848	0.569	0.902	0.552	0.691	0.722	0.371	0.643	0.403	0.966	0.514
Compound_792	O=C(C12CC3CC(C2)CC(C1)C3)Cn1cncc1	0.912	0.637	0.276	0.454	0.809	0.841	0.021	0.196	0.136	0.818	0.646
Compound_793	CCCCC/C=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C/CCCCC	0.682	0.128	0.051	0.44	0.672	0.188	0.997	0.39	0.896	0.946	0.408
Compound_794	Clc1[nH]c(=O)[nH]c(=O)c1CCCCOP(=O)(O)O	0.306	0.433	0.014	0.272	0.22	0.111	0.521	0.006	0.269	0.057	0.427
Compound_795	CCCC[C@@H](C(=O)N1CCC[C@H]1c1nc2c(o1)cccc2)CN(C=O)O	0.252	0.559	0.875	0.552	0.525	0.604	0.003	0.448	0.309	0.495	0.701
Compound_796	Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C	0.495	0.563	0.885	0.305	0.396	0.604	0.069	0.912	0.446	0.132	0.079
Compound_797	CCn1ncc2c1ncc(c2NC1CCOCC1)C(=O)NCc1ccccc1	0.366	0.659	0.576	0.354	0.283	0.722	0.498	0.44	0.448	0.035	0.259
Compound_798	N#CC1(CC1)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)C	0.158	0.535	0.023	0.447	0.665	0.499	0.76	0.198	0.403	0.884	0.477
Compound_799	Nc1ccc(c(c1)C(=O)N[C@@H](c1cccc2c1cccc2)C)C	0.492	0.779	0.75	0.447	0.366	0.957	0.961	0.856	0.571	0.671	0.928
Compound_800	OC(=O)Cc1ccc(cc1)c1c[nH]c2c1cc(cn2)c1ccc2c(c1)cccc2	0.052	0.511	0.747	0.341	0.452	0.779	0.996	0.051	0.639	0.008	0.267
Compound_801	O=C(Nc1ccc(cc1F)n1ccccc1=O)CN1CC[C@H](C1)NC(=O)c1ccc(s1)Cl	0.542	0.565	0.003	0.438	0.693	0.815	0.209	0.725	0.481	0.039	0.194
Compound_802	n1ccc(cc1)Cc1c[nH]nc1c1ccc(cc1)OCc1ccc2c(n1)cccc2	0.518	0.754	0.969	0.598	0.79	0.67	0.866	0.859	0.716	0.033	0.89
Compound_803	NC(=O)c1cnc2c(c1)n(cc2)S(=O)(=O)c1ccccc1N(=O)=O	0.444	0.502	0.367	0.301	0.453	0.467	0.1	0.019	0.467	0.042	0.397
Compound_804	O=C(N[C@H](C(=O)O)CC(=O)O)Cc1cc(c2nc3c([nH]2)ccc(c3)C(=N)N)c(c(c1)c1cc(ccc1O)S(=O)(=O)N)O	0.441	0.405	0.098	0.205	0.649	0.669	0.913	0.248	0.367	0.09	0.135
Compound_805	FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)OC[C@]1(C)Oc2n(C1)cc(n2)N(=O)=O)(F)F	0.453	0.742	0.091	0.636	0.795	0.551	0.438	0.816	0.287	0.281	0.645
Compound_806	O=C1O[C@H](CN1c1ccc(c(c1)F)c1ccc(nc1)c1nnn(n1)C)COP(=O)(O)O	0.713	0.64	0.47	0.493	0.419	0.569	0.736	0.579	0.276	0.014	0.459
Compound_807	OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C	0.353	0.519	0.254	0.402	0.539	0.688	0.995	0.847	0.363	0.098	0.266
Compound_808	OCCONC(=O)c1cc(CN2OCCCC2=O)c(c(c1Nc1ccc(cc1F)I)F)F	0.419	0.59	0.981	0.607	0.703	0.693	0.657	0.973	0.391	0.076	0.673
Compound_809	Fc1ccc2c(c1)c(Cc1ccc3c(n1)cccc3)c(n2CC(=O)O)C	0.499	0.595	0.874	0.512	0.905	0.665	0.996	0.516	0.581	0.066	0.23
Compound_810	CCOC(=O)C(NP(=O)(c1ccc(o1)c1nc(sc1C(=O)C(C)(C)C)N)NC(C(=O)OCC)(C)C)(C)C	0.51	0.62	0.886	0.483	0.531	0.647	0.912	0.738	0.397	0.046	0.586
Compound_811	COc1cc2c(cc1C(=O)N)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2)C	0.911	0.839	0.128	0.469	0.604	0.98	0.826	0.678	0.638	0.64	0.571
Compound_812	CCN(CCOP(=O)(O)O)CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F	0.567	0.649	0.887	0.419	0.714	0.67	0.942	0.275	0.521	0.704	0.435
Compound_813	Oc1cc(O)c(cc1c1n[nH]c(=O)n1c1ccc2c(c1)ccn2C)C(C)C	0.656	0.71	0.25	0.438	0.612	0.802	0.732	0.588	0.492	0.727	0.534
Compound_814	NCCCC[C@@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)NC(=O)[C@H](Cc1c(C)cc(cc1C)O)NC(=O)[C@@H](CCCNC(=N)N)N	0.714	0.526	0.001	0.247	0.292	0.89	0.178	0.031	0.384	0.018	0.022
Compound_815	O=C(N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2	0.646	0.733	0.173	0.368	0.33	0.685	0.894	0.434	0.382	0.423	0.538
Compound_816	COc1cc(Nc2ncc(c(n2)Nc2ccc3c(n2)N(COP(=O)(O)O)C(=O)C(O3)(C)C)F)cc(c1OC)OC	0.739	0.686	0.193	0.306	0.541	0.608	0.407	0.495	0.553	0.826	0.551
Compound_817	BrCCN(c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)NCCOP(=O)(O)O)CCOS(=O)(=O)C	0.705	0.445	0.035	0.293	0.615	0.467	0.012	0.186	0.401	0.03	0.552
Compound_818	O=C1C=C[C@]2(C(=C1)CC[C@@H]1C2=CC[C@]2([C@H]1C[C@H]([C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)C)C)C	0.456	0.719	0.082	0.499	0.714	0.707	0.159	0.875	0.276	0.822	0.298
Compound_819	O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O	0.554	0.545	0.012	0.28	0.936	0.434	0.846	0.007	0.292	0.192	0.308
Compound_820	COC(=O)N1CCC(CC1)CN1CCC(CC1)CNC(=O)c1cccc2c1nc([nH]2)C(C)C	0.195	0.634	0.8	0.223	0.213	0.736	0.306	0.55	0.38	0.105	0.374
Compound_821	CCCCc1nc2c(n1CCN(CC)CC)ccc(c2)/C=C/C(=O)NO	0.323	0.697	0.359	0.417	0.373	0.733	0.179	0.664	0.423	0.868	0.506
Compound_822	COc1cccc(c1)Nc1ncnn2c1c(cc2)CN1CC[C@H]([C@@H](C1)O)N	0.505	0.623	0.245	0.238	0.286	0.622	0.078	0.577	0.064	0.061	0.507
Compound_823	O=C(Cc1ccc(cn1)c1ccc(cc1)OCCN1CCOCC1)NCc1ccccc1	0.12	0.509	0.25	0.563	0.25	0.844	0.173	0.844	0.241	0.018	0.202
Compound_824	OCCONC(=O)c1cc(C)c(=O)n(c1Nc1ccc(cc1F)I)C	0.505	0.579	0.926	0.574	0.747	0.647	0.097	0.867	0.355	0.007	0.425
Compound_825	CNc1cc2nc(O)n(c(=O)c2cc1F)c1ccc(cc1)N/C(=N/S(=O)(=O)c1ccc(s1)Cl)/O	0.594	0.521	0.303	0.441	0.679	0.663	0.231	0.979	0.443	0.254	0.378
Compound_826	Nc1ncc(c(c1)C(F)(F)F)c1cc(nc(n1)N1CCOCC1)N1CCOCC1	0.41	0.565	0.1	0.535	0.733	0.646	0.34	0.383	0.36	0.117	0.672
Compound_827	CC[C@@H](c1ccccc1)NC(=O)c1c(NS(=O)(=O)C)c(nc2c1cccc2)c1ccccc1	0.638	0.556	0.406	0.675	0.658	0.65	0.69	0.794	0.413	0.023	0.563
Compound_828	COc1ccc2c(c1)nc(n2S(=O)(=O)c1ccc(cc1)OCC(=O)O)[S@@](=O)Cc1ncc(c(c1C)OC)C	0.519	0.604	0.395	0.411	0.511	0.7	0.986	0.031	0.086	0.263	0.188
Compound_829	Cn1ncc(c1)c1ccc2n(n1)c(nn2)C(c1ccc2c(c1)cccn2)(F)F	0.314	0.71	0.108	0.511	0.71	0.644	0.976	0.569	0.843	0.068	0.491
Compound_830	CCO[C@@H]1Cc2c([C@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)ccc(c2)C(F)(F)F	0.558	0.743	0.684	0.416	0.428	0.614	0.339	0.906	0.374	0.864	0.348
Compound_831	Brc1cc(Br)c2c(c1)[C@H](NCCCNc1cc(=O)c3c([nH]1)ccs3)CCO2	0.597	0.578	0.756	0.415	0.699	0.689	0.242	0.348	0.386	0.361	0.303
Compound_832	CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C21CCC2)c1cnc(c(c1)C(F)(F)F)C#N	0.652	0.522	0.457	0.444	0.748	0.654	0.1	0.88	0.45	0.139	0.538
Compound_833	Clc1ccc(cc1)Cc1nn(C[C@H]2CCCN2CCCCc2ccc(cc2)OCCCN2CCCCCC2)c(=O)c2c1cccc2	0.591	0.699	0.61	0.408	0.902	0.949	0.018	0.864	0.366	0.17	0.338
Compound_834	CC(c1ccccc1c1ccc2c(c1)[nH]c(n2)/C=C/c1ccc(cc1)C(F)(F)F)(O)C	0.413	0.617	0.998	0.664	0.778	0.754	0.982	0.585	0.38	0.062	0.879
Compound_835	CN1CCC(CC1)CCCNc1ncc(c(n1)C)c1nc2c([nH]1)cc(cc2C)C	0.232	0.541	0.888	0.315	0.406	0.778	0.925	0.268	0.412	0.484	0.475
Compound_836	O=C1NC(=O)/C(=C/c2ccc3c(c2)c(ccn3)c2ccncc2)/S1	0.394	0.667	0.931	0.702	0.396	0.7	0.945	0.647	0.427	0.243	0.601
Compound_837	OC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@H](C(=O)O)CCCCNC(=O)Nc1ccc(cc1)I	0.375	0.355	0.893	0.541	0.647	0.264	0.007	0.119	0.4	0.023	0.203
Compound_838	O=C(N[C@H](C(=O)O)CCC(=O)O)N[C@H](C(=O)O)CCCCNCc1ccc(cc1)I	0.106	0.217	0.057	0.205	0.135	0.227	0.017	0.005	0.363	0.035	0.176
Compound_839	Clc1ccccc1C(=O)c1cccnc1c1nnn(c1c1ccncc1)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.566	0.657	0.981	0.634	0.798	0.583	0.976	0.529	0.569	0.012	0.626
Compound_840	COc1ccc(cc1)COc1cc2oc(=O)c3c(c2cc1OC)ccc(c3)[C@@H](O)C	0.532	0.675	0.38	0.395	0.959	0.908	0.621	0.376	0.528	0.007	0.918
Compound_841	CN(CCNC(=O)Cn1c2ccc(cc2c2c1nc1cc(C)c(cc1n2)C)Cl)C	0.426	0.595	0.577	0.237	0.665	0.801	0.98	0.946	0.375	0.167	0.044
Compound_842	OCCn1ncc(c1)c1cnc2c(n1)n(nn2)Cc1ccc2c(c1)cccn2	0.451	0.573	0.681	0.462	0.661	0.625	0.978	0.608	0.591	0.015	0.266
Compound_843	CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1nccc(c1)Oc1ccc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F	0.505	0.614	0.94	0.451	0.805	0.696	0.451	0.722	0.418	0.264	0.741
Compound_844	CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2	0.452	0.654	0.821	0.64	0.551	0.654	0.985	0.853	0.785	0.007	0.472
Compound_845	COc1cc2c(cc1OC)CCN1[C@@H]2C[C@@H](OC(=O)[C@H](C(C)C)N)[C@@H](C1)CC(C)C	0.512	0.643	0.126	0.328	0.012	0.224	0.105	0.166	0.469	0.042	0.134
Compound_846	OC(=O)Cn1nnc(n1)c1onc(c1)N1CCC(CC1)Oc1cc(F)ccc1Br	0.459	0.679	0.548	0.385	0.676	0.654	0.202	0.751	0.461	0.565	0.368
Compound_847	OC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)OCC1(O)CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.583	0.667	0.016	0.371	0.918	0.645	0.933	0.169	0.388	0.167	0.479
Compound_848	CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c1c2ccc(c1)Nc1ncc(c(n1)NC1CCC1)C(F)(F)F	0.658	0.57	0.002	0.25	0.473	0.646	0.413	0.869	0.385	0.05	0.648
Compound_849	Fc1ccc(cc1)CC[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@](c1ccccc1)(N1CCCCC1)C	0.199	0.716	0.007	0.183	0.155	0.38	0.226	0.122	0.31	0.12	0.27
Compound_850	ONC(=O)CCCCCCOc1cc2c(ncnc2cc1OC)Nc1cccc(c1)C#C	0.615	0.746	0.982	0.536	0.736	0.723	0.333	0.551	0.42	0.433	0.546
Compound_851	OC[C@@H](Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O	0.616	0.499	0.888	0.52	0.361	0.678	0.847	0.183	0.271	0.009	0.276
Compound_852	C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@@]1([C@@H]2C)CC[C@@H]2C(=C(C1)C)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)NS(=O)(=O)C	0.333	0.679	0.004	0.324	0.433	0.74	0.157	0.033	0.384	0.947	0.465
Compound_853	NC[C@@H](NC(=O)c1sc(c(c1)c1c(Cl)cnn1C)Cl)Cc1cccc(c1)F	0.436	0.552	0.352	0.536	0.588	0.667	0.963	0.157	0.488	0.01	0.442
Compound_854	NC[C@@H](NC(=O)c1oc(c(c1)c1c(Cl)cnn1C)Cl)Cc1ccc(c(c1)F)F	0.373	0.617	0.706	0.544	0.5	0.601	0.85	0.418	0.485	0.013	0.533
Compound_855	OCCOc1c(C)cc(cc1C)c1nc2cc(OC)cc(c2c(=O)[nH]1)OC	0.407	0.764	0.722	0.453	0.6	0.603	0.384	0.632	0.492	0.061	0.207
Compound_856	N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1	0.497	0.515	0.9	0.421	0.376	0.718	0.945	0.647	0.594	0.156	0.777
Compound_857	O=S(=O)(c1cnc2c(c1)cccc2N1CCNCC1)c1ccccc1	0.156	0.378	0.222	0.308	0.383	0.564	0.635	0.245	0.465	0.011	0.13
Compound_858	Fc1cc2C[C@H](COc2c(c1)F)n1c(CCNCc2ccccc2)c[nH]c1=S	0.424	0.533	0.5	0.369	0.083	0.923	0.644	0.095	0.457	0.819	0.237
Compound_859	Cc1ccc(c(c1)C(=O)N1C[C@@H](CC[C@H]1C)COc1ccc(cn1)F)c1ncccn1	0.514	0.553	0.547	0.693	0.345	0.657	0.868	0.728	0.25	0.268	0.134
Compound_860	CCCNS(=O)(=O)Nc1ncnc(c1c1ccc(cc1)Br)OCCOc1ncc(cn1)Br	0.525	0.489	0.935	0.592	0.388	0.649	0.951	0.979	0.394	0.497	0.47
Compound_861	COC[C@@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc(s1)C)COC	0.609	0.623	0.18	0.414	0.294	0.671	0.268	0.542	0.527	0.594	0.876
Compound_862	O=C(c1sc(nc1C)c1cccnc1)Nc1ccccc1c1cn2c(n1)scc2CN1CCOCC1	0.609	0.743	0.472	0.497	0.634	0.653	0.99	0.383	0.462	0.464	0.112
Compound_863	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)C=C2[C@]1(C)CC[C@@H](C2)O	0.98	0.99	0.008	0.589	0.966	0.873	0.01	0.408	0.429	0.99	0.174
Compound_864	NC(=O)[C@H](N(S(=O)(=O)c1ccc(cc1)Cl)Cc1ccc(cc1F)c1nocn1)CCC(F)(F)F	0.246	0.572	0.377	0.551	0.635	0.755	0.819	0.482	0.374	0.519	0.258
Compound_865	OC[C@H]1O[C@H](C[C@@H]1O[P@@](=O)(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O)O)n1cnc(nc1=O)N	0.526	0.586	0.003	0.329	0.487	0.659	0.001	0.006	0.158	0.025	0.543
Compound_866	O=C(CN1[C@@H](CNC2(C1=O)CCCC2)c1cc(F)cc(c1)F)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2c1cccn2	0.593	0.72	0.582	0.554	0.566	0.631	0.814	0.577	0.412	0.087	0.244
Compound_867	CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)n[nH]c2Nc1nc(C)nc2c1scc2)C	0.594	0.652	0.005	0.243	0.664	0.657	0.912	0.206	0.5	0.134	0.215
Compound_868	CCc1c(C)c2c(n1CC(F)(F)F)ccc1c2c(Cl)cc(=O)[nH]1	0.564	0.681	0.918	0.597	0.716	0.734	0.995	0.613	0.641	0.245	0.602
Compound_869	O=C1OCC2=C1CC[C@]1([C@@]2(O)C[C@H]2[C@@]3([C@@]41O[C@H]4[C@@H]1O[C@@]1([C@H]3O)C(C)C)O2)C	0.983	1.0	0.112	0.651	0.964	0.475	0.454	0.84	0.803	0.865	0.2
Compound_870	O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1	0.521	0.687	0.94	0.611	0.674	0.653	0.993	0.897	0.465	0.971	0.67
Compound_871	NCCC[C@]1(SC(=NN1C(=O)N(OC)C)c1cc(F)ccc1F)c1ccccc1	0.62	0.611	0.379	0.493	0.388	0.759	0.844	0.049	0.417	0.007	0.586
Compound_872	OCC[C@@H](c1ccc(cc1)Cl)NC(=O)C1(N)CCN(CC1)c1ncnc2c1cc[nH]2	0.505	0.721	0.561	0.32	0.371	0.741	0.068	0.265	0.378	0.188	0.505
Compound_873	COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F	0.48	0.752	0.966	0.504	0.871	0.739	0.669	0.841	0.406	0.576	0.774
Compound_874	Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F	0.361	0.782	0.498	0.507	0.717	0.69	0.992	0.649	0.692	0.009	0.183
Compound_875	CN1CCN(CC1)c1ccc(c(c1)NC1CCOCC1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(F)cc(c1)F	0.548	0.757	0.956	0.294	0.756	0.688	0.998	0.774	0.429	0.283	0.382
Compound_876	O=CN(C[C@H](C(=O)NNc1nc(C)nc(c1F)N1CCN2[C@@H](C1)COCC2)CC1CCCC1)O	0.341	0.608	0.284	0.191	0.338	0.649	0.042	0.154	0.412	0.602	0.6
Compound_877	CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N	0.722	0.693	0.674	0.648	0.833	0.593	0.996	0.752	0.357	0.019	0.707
Compound_878	CONC(=O)Nc1ccc(cc1)c1sc2c(c1CN(C)C)c(=O)n(c(=O)n2Cc1c(F)cccc1F)c1ccc(nn1)OC	0.654	0.605	0.984	0.578	0.601	0.751	0.999	0.446	0.474	0.28	0.545
Compound_879	OC(=O)Cc1cc(Cl)c(cc1F)Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C1CC1)C(=O)NC(C)(C)C	0.522	0.529	0.034	0.41	0.74	0.652	0.407	0.188	0.367	0.989	0.485
Compound_880	C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@@H](C(=O)NCCCc2c(O1)cccc2)Cc1ccc(cc1)F	0.408	0.63	0.309	0.151	0.136	0.28	0.175	0.059	0.403	0.361	0.478
Compound_881	Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O	0.237	0.558	0.952	0.586	0.772	0.637	0.971	0.246	0.741	0.169	0.76
Compound_882	O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)NC1CCNCC1	0.222	0.478	0.004	0.241	0.115	0.372	0.001	0.062	0.36	0.053	0.576
Compound_883	NC(=O)c1cccc2c1nn(c2)c1ccc(cc1)[C@@H]1CCCNC1	0.106	0.57	0.082	0.272	0.569	0.342	0.639	0.013	0.303	0.001	0.164
Compound_884	OCCONC(=O)c1ccc2n(c1Nc1ccc(cc1F)I)cnc2	0.505	0.745	0.951	0.603	0.4	0.638	0.097	0.961	0.283	0.006	0.633
Compound_885	Cc1cc(C)cc(c1)[C@@H]1CCCN1Cc1ccc(cc1)Oc1ccc(cc1F)C(=O)N	0.571	0.617	0.075	0.246	0.454	0.986	0.117	0.03	0.41	0.367	0.077
Compound_886	OC[C@H]1CN(C(=O)O1)c1ccc(c(c1)F)N1CCN(N=C1)C	0.639	0.498	0.237	0.598	0.214	0.606	0.044	0.183	0.313	0.0	0.056
Compound_887	FCCOCCOCCOc1ccc(cn1)/C=C/c1ccc(cc1)NC	0.677	0.617	0.941	0.568	0.173	0.521	0.014	0.484	0.392	0.449	0.561
Compound_888	C#Cc1cccc(c1)Nc1ncnc2c1cc1OCCOCCOCCOc1c2	0.534	0.754	0.99	0.698	0.776	0.729	0.859	0.964	0.759	0.978	0.422
Compound_889	CN1CCN(CC1)Cc1ccc2c(c1)CN(C2)C(=O)c1cc(C(C)C)c(cc1O)O	0.256	0.778	0.208	0.278	0.341	0.98	0.836	0.078	0.523	0.244	0.134
Compound_890	N#Cc1c[nH]c(n1)C(=O)Nc1ccc(nc1C1=CCC(CC1)(C)C)C1CC(C)(C)OC(C1)(C)C	0.702	0.725	0.263	0.539	0.378	0.726	0.777	0.91	0.458	0.962	0.595
Compound_891	COc1ncc(cc1NS(=O)(=O)c1ccc(cc1F)F)c1ccc2c(c1)c(ccn2)c1ccnnc1	0.596	0.422	0.765	0.502	0.63	0.646	0.853	0.62	0.482	0.595	0.455
Compound_892	O=C1Nc2ccccc2c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2	0.459	0.597	0.999	0.591	0.801	0.591	0.391	0.84	0.375	0.007	0.67
Compound_893	OC(=O)CCCC[C@@H](SCc1ccccc1)CCSCc1ccccc1	0.619	0.372	0.162	0.205	0.782	0.476	0.999	0.041	0.134	0.685	0.095
Compound_894	ClCCN([P@]1(=O)OCC[C@H](N1)OO)CCCl	0.094	0.167	0.201	0.418	0.465	0.098	0.002	0.986	0.633	0.666	0.228
Compound_895	CCCCCCCCCCO[C@H](CO[P@](=O)(OC[C@H]1O[C@H](C[C@@H]1N=N#N)n1cc(C)c(=O)[nH]c1=O)O)CSCCCCCCCCCCCC	0.392	0.502	0.018	0.301	0.74	0.397	0.159	0.011	0.416	0.598	0.4
Compound_896	CCCCCCCCCCCCCCCC(=O)OC[C@H](OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)C	0.982	0.087	0.388	0.728	0.559	0.111	0.998	0.884	0.41	1.0	0.927
Compound_897	O=C(OCc1ccccc1)NCCCC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)OCc1ccccc1	0.45	0.547	0.145	0.322	0.259	0.38	0.1	0.931	0.408	0.326	0.432
Compound_898	CCCCCCCC(=O)N[C@H]1CCOC1=O	0.13	0.364	0.093	0.398	0.064	0.057	0.044	0.114	0.397	0.314	0.15
Compound_899	O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F	0.67	0.609	0.581	0.333	0.888	0.68	0.939	0.847	0.5	0.205	0.604
Compound_900	CCn1nccc1c1c[nH]c2c1cc(cn2)c1ccc(c(c1)C(=O)N(C)C)N	0.379	0.721	0.984	0.616	0.582	0.676	0.908	0.872	0.567	0.037	0.316
Compound_901	N[C@H](C(=O)C)CCc1ccccc1	0.212	0.107	0.175	0.392	0.003	0.039	0.006	0.018	0.396	0.037	0.015
Compound_902	O=C(N1CCC(CC1)c1ccccc1C(F)(F)F)Nc1ccccc1C(=O)O	0.379	0.484	0.091	0.458	0.838	0.551	0.595	0.994	0.434	0.004	0.252
Compound_903	OC(=O)c1c(Br)c(C(=O)O)c(c(c1Br)N)Br	0.487	0.393	0.441	0.337	0.641	0.652	0.806	0.087	0.446	0.143	0.311
Compound_904	OC[C@@H](CCON=C1c2ccccc2N/C/1=C/1\C(=O)Nc2c1cccc2)O	0.555	0.694	0.145	0.398	0.47	0.702	0.278	0.043	0.245	0.078	0.707
Compound_905	COCCOc1cc2ncc3c(c2cc1OC)cc(nc3N)n1cncc1	0.435	0.776	0.635	0.518	0.732	0.693	0.899	0.396	0.54	0.127	0.67
Compound_906	COc1cc(cc(c1)c1cc(C)cc(c1)C)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.558	0.482	0.329	0.579	0.715	0.83	0.666	0.819	0.484	0.53	0.742
Compound_907	COc1cc(cc(c1)c1ccc(cc1)C)[C@H](C#Cc1c(C)nc(nc1N)N)C	0.597	0.482	0.333	0.628	0.774	0.86	0.551	0.839	0.437	0.53	0.742
Compound_908	O=C(C1CCC2(CC1)OC(=O)c1c2cncc1)Nc1ccn(n1)c1ccccc1F	0.393	0.688	0.249	0.502	0.607	0.686	0.839	0.172	0.41	0.016	0.228
Compound_909	COc1ccc(c(c1)CC#Cc1c(N)nc(nc1CC)N)OC	0.6	0.449	0.387	0.498	0.564	0.731	0.05	0.636	0.434	0.135	0.714
Compound_910	O=C1OCCC1=CNc1ccccc1	0.597	0.476	0.55	0.584	0.257	0.499	0.035	0.914	0.808	0.009	0.698
Compound_911	O[C@@H]1[C@@H](CO[P@](=O)(O[P@@](=O)(C[P@](=O)(OP(=O)(O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N	0.83	0.638	0.368	0.594	0.206	0.585	0.008	0.089	0.462	0.16	0.463
Compound_912	CCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)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_913	O=C(Nc1ccc(cc1Cl)S(=O)(=O)N)CSC(=O)N1CCCc2c1ccc(c2)C	0.365	0.545	0.022	0.37	0.678	0.647	0.939	0.086	0.382	0.285	0.257
Compound_914	C[C@H]1Cc2c3cc(F)c(cc3[nH]c2[C@@]2(N1)C(=O)Nc1c2cc(Cl)cc1)Cl	0.711	0.595	0.974	0.499	0.726	0.677	0.853	0.723	0.445	0.462	0.714
Compound_915	CCOc1ccc(cc1)Cc1cc(c(cc1C)OC)[C@@H]1S[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O	0.643	0.607	0.265	0.549	0.874	0.733	0.179	0.884	0.288	0.331	0.656
Compound_916	C=C/C(=C/C=C/C(=C/C=C\1/C(=CCCC1(C)C)C)/C)/C	0.963	0.212	0.877	0.683	0.416	0.357	0.992	0.993	0.961	0.992	0.705
Compound_917	CO[C@H](C(=O)O)Cc1ccc(c2c1scc2)OCCc1nc(oc1C)c1ccccc1	0.534	0.713	0.905	0.566	0.71	0.653	0.988	0.949	0.189	0.078	0.793
Compound_918	COc1ccc(cc1)OC(=O)N(Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1)CC(=O)O	0.352	0.685	0.28	0.525	0.754	0.639	0.997	0.72	0.169	0.029	0.64
Compound_919	OC(=O)CCC(=NOCc1ccc(cc1)OCc1nc(oc1C)c1ccccc1)c1ccccc1	0.337	0.714	0.67	0.477	0.821	0.644	0.995	0.631	0.216	0.902	0.5
Compound_920	O=C(Nc1ccc(cc1)c1nc(nc(n1)N1CCOCC1)N1CCOCC1)Nc1ccc(cc1)C(=O)N1CCC(CC1)N(C)C	0.519	0.608	0.135	0.367	0.805	0.657	0.794	0.775	0.455	0.58	0.664
Compound_921	O[C@@H]1[C@H](O)[C@H](O[C@H]1c1cccc(n1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.636	0.715	0.29	0.633	0.598	0.649	0.042	0.221	0.423	0.13	0.627
Compound_922	O[C@@H]1[C@H](O)[C@H](O[C@H]1c1cncc(c1)C(=O)N)CO[P@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O	0.639	0.715	0.355	0.542	0.554	0.648	0.191	0.042	0.412	0.13	0.627
Compound_923	CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC	0.943	0.92	0.051	0.903	0.913	0.898	0.918	0.288	0.95	0.621	0.918
Compound_924	CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)CC(C)C)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C	0.606	0.692	0.005	0.133	0.659	0.898	0.347	0.051	0.95	0.971	0.918
Compound_925	CCCCCC/C=C/[C@H]1[C@@H]2N=N[C@H]([C@@H]1CC=CCCCC(=O)O)C2	0.65	0.506	0.169	0.174	0.304	0.356	0.586	0.074	0.351	0.211	0.185
Compound_926	COc1cccc(c1F)c1c(=O)n(C[C@@H](c2ccccc2)NCCCC(=O)O)c(=O)n(c1C)Cc1c(F)cccc1C(F)(F)F	0.584	0.47	0.209	0.449	0.863	0.646	0.844	0.371	0.305	0.009	0.487
Compound_927	O=C(CC12CCCN2CCC1)Nc1c(C)cccc1C	0.162	0.606	0.044	0.542	0.021	0.093	0.345	0.006	0.448	0.095	0.213
Compound_928	O=C([C@H]1CC(=O)N(C1)C1CCCCC1)Nc1cc(Cl)ccc1C	0.379	0.486	0.766	0.619	0.6	0.482	0.991	0.768	0.47	0.523	0.129
Compound_929	Nc1nc(nn1c1nnc2c(c1)CCCc1c2cccc1)Nc1ccc2c(c1)CC[C@H](CC2)N1CCCC1	0.621	0.557	0.763	0.402	0.596	0.777	0.989	0.411	0.72	0.03	0.38
Compound_930	CC(CC(=O)Nc1[nH]nc2c1CN(C2(C)C)C(=O)C1CCN(CC1)C)C	0.338	0.624	0.464	0.429	0.28	0.666	0.005	0.126	0.442	0.608	0.22
Compound_931	NC1=N[C@](CCS1)(C)c1cc(c2cncnc2)c(cc1F)F	0.172	0.62	0.68	0.654	0.257	0.485	0.333	0.935	0.413	0.008	0.12
Compound_932	OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C	0.449	0.783	0.773	0.625	0.864	0.658	0.053	0.816	0.428	0.497	0.886
Compound_933	OC([C@H](Cc1ccccc1)N)[C@H](Cc1ccccc1)N	0.076	0.43	0.024	0.386	0.031	0.402	0.005	0.18	0.261	0.09	0.133
Compound_934	O=C(Nc1ccccc1)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C	0.573	0.771	0.085	0.372	0.806	0.356	0.849	0.787	0.452	0.125	0.301
Compound_935	O=C1CN2CCCC[C@H]2c2c1c1ccccc1[nH]2	0.294	0.64	0.375	0.254	0.5	0.64	0.021	0.4	0.467	0.422	0.296
Compound_936	C[C@@H](C(=O)OC(Cc1ccc(cc1)Cl)(C)C)N	0.053	0.168	0.027	0.391	0.274	0.064	0.004	0.033	0.239	0.072	0.069
Compound_937	O=c1[nH]c2c(o1)c(ccc2)N1CCN(CC1)Cc1cccc(c1)c1ccccc1	0.07	0.592	0.873	0.353	0.451	0.418	0.33	0.497	0.468	0.47	0.154
Compound_938	COCCOc1ccc(cc1)N1CCN(CC1)CCn1ncc2c1nc(N)n1c2nc(n1)c1ccco1	0.482	0.621	0.885	0.461	0.642	0.652	0.824	0.856	0.463	0.083	0.645
Compound_939	N#Cc1ccc(cc1)Cn1cncc1CN1CCN(C(=O)C1)c1cccc(c1)Cl	0.446	0.633	0.782	0.333	0.707	0.789	0.594	0.53	0.449	0.607	0.444
Compound_940	C/C=C/C(=C/[C@@]1(C)SC(=O)C(=C1O)C)/C	0.707	0.465	0.076	0.584	0.517	0.099	0.592	0.993	0.348	0.993	0.899
Compound_941	O=C([C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N)NCc1ccccc1	0.321	0.448	0.193	0.272	0.026	0.386	0.387	0.018	0.256	0.007	0.162
Compound_942	OC[C@H]1O[C@H]([C@]([C@@H]1OC(=O)[C@H](C(C)C)N)(C)O)n1ccc(nc1=O)N	0.682	0.403	0.006	0.34	0.288	0.031	0.03	0.039	0.263	0.165	0.838
Compound_943	OC1CN(C1)C1=Nc2ccccc2C(=N[C@@H]1c1cccs1)c1ccccc1	0.566	0.48	0.88	0.612	0.572	0.519	0.105	0.201	0.676	0.857	0.182
Compound_944	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)N)n1cnc2c1ncnc2N	0.662	0.703	0.082	0.401	0.078	0.212	0.009	0.883	0.408	0.016	0.901
Compound_945	Cc1cc(C)c2c(n1)c(ccc2)OCc1c(Cl)ccc(c1Cl)S(=O)(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)c1ccc(cc1)C(=N)N	0.628	0.581	0.028	0.417	0.672	0.656	0.998	0.763	0.407	0.047	0.193
Compound_946	C#CCN([C@@H]1CCc2c1cccc2)C	0.106	0.512	0.07	0.109	0.176	0.119	0.007	0.036	0.415	0.118	0.438
Compound_947	N[C@H](C(=O)NCCOCCOCCNC(=O)c1ccc(cc1)S(=O)(=O)N)Cc1ccccc1	0.106	0.407	-0.0	0.257	0.25	0.559	0.366	0.001	0.307	0.012	0.132
Compound_948	Fc1cc(cnc1N1CCN(CC1)C(=O)c1cc(ccc1O[C@H](C(F)(F)F)C)S(=O)(=O)C)C(F)(F)F	0.184	0.558	0.139	0.5	0.36	0.48	0.657	0.957	0.4	0.259	0.151
Compound_949	Fc1ccc(cc1)Oc1ccc(cn1)C(=O)N1CCCN(CC1)C1CCC1	0.708	0.616	0.355	0.218	0.476	0.617	0.004	0.36	0.421	0.12	0.347
Compound_950	OC(=O)[C@H](CON=C1c2ccccc2c2c1cccc2)C	0.582	0.639	0.703	0.415	0.602	0.803	0.965	0.41	0.194	0.35	0.78
Compound_951	CCCCCC=CC[C@@H](/C=C/CC(=O)CCCCC(=O)O)O	0.908	0.087	0.115	0.126	0.521	0.071	0.846	0.157	0.267	0.927	0.154
Compound_952	CCCCCC=CCC=C[C@@H](CC(=O)CCCCC(=O)O)O	0.842	0.139	0.089	0.108	0.653	0.066	0.846	0.087	0.268	0.955	0.139
Compound_953	OC(=O)c1[nH]c(c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2[nH]1)O	0.505	0.564	0.585	0.346	0.769	0.652	0.998	0.778	0.696	0.49	0.848
Compound_954	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O)N)O	0.08	0.632	0.004	0.399	0.105	0.257	0.008	0.112	0.386	0.153	0.106
Compound_955	CCCCC(=O)OC[C@@H](OC(=O)CCCCCCC)CO[P@](=O)(OC[C@H](CO)O)O	0.859	0.226	0.005	0.575	0.179	0.195	0.808	0.008	0.283	0.657	0.174
Compound_956	CCCCCCCCN=C1SC[C@H]2N1[C@@H](O)[C@H](O)[C@H]([C@@H]2O)O	0.301	0.483	0.422	0.515	0.057	0.132	0.04	0.386	0.373	0.611	0.159
Compound_957	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)N)O	0.067	0.406	0.005	0.394	0.044	0.06	0.003	0.059	0.442	0.101	0.123
Compound_958	O[C@H](C(=O)N(Cc1ccccc1)Cc1ccccc1)CC(=O)N(CC(=O)O)N	0.018	0.453	0.011	0.267	0.092	0.425	0.143	0.046	0.276	0.094	0.169
Compound_959	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1nc(NCc1cccc3c1cccc3)[nH]c2=O	0.458	0.69	0.158	0.381	0.238	0.469	0.138	0.019	0.343	0.193	0.382
Compound_960	CCCCCCCCCCNCCSC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N	0.529	0.574	0.036	0.416	0.291	0.41	0.081	0.874	0.435	0.017	0.612
Compound_961	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc2c1ccc(c2)N(=O)=O	0.661	0.629	0.892	0.441	0.314	0.442	0.177	0.035	0.357	0.51	0.406
Compound_962	CCCCCCCCC(=O)OC[C@@H](OC(=O)CCC)CO	0.925	0.054	0.063	0.713	0.13	0.086	0.823	0.116	0.115	0.896	0.571
Compound_963	COc1ccc(cc1OCc1ccccn1)C	0.28	0.56	0.661	0.538	0.106	0.482	0.003	0.107	0.603	0.026	0.865
Compound_964	COc1ccc(c(c1)OCc1ccncc1)C	0.361	0.666	0.706	0.624	0.235	0.52	0.019	0.024	0.779	0.18	0.908
Compound_965	CCCCCCCCNC(=S)N1[C@@H]2OC[C@H]1[C@H]([C@@H]([C@H]2O)O)O	0.197	0.448	0.007	0.338	0.035	0.152	0.003	0.102	0.545	0.914	0.166
Compound_966	OC(=O)CCCCCNC(=O)Cc1cc(I)c(c(c1)N(=O)=O)O	0.128	0.358	0.097	0.289	0.602	0.593	0.006	0.898	0.392	0.136	0.277
Compound_967	O[P@H](=O)C[C@@H]1CCc2c(O1)ccc(c2)C	0.447	0.389	0.615	0.282	0.615	0.526	0.224	0.021	0.528	0.652	0.37
Compound_968	O=C(Cc1ccc(c(c1)N(=O)=O)O)NCCCCCC(=O)O	0.142	0.253	0.016	0.254	0.569	0.678	0.004	0.859	0.375	0.089	0.125
Compound_969	CN1CCN(CC1)S(=O)(=O)c1cc2c(cc1C)N[C@@H](NS2(=O)=O)C1CCCC1	0.092	0.488	0.071	0.232	0.42	0.613	0.054	0.02	0.333	0.314	0.151
Compound_970	NC(=N)NCCCCNC(=O)c1csc(n1)c1cscn1	0.37	0.459	0.405	0.291	0.317	0.711	0.003	0.354	0.496	0.018	0.208
Compound_971	CC(CN(S(=O)(=O)c1ccccc1)C[C@H]1CNC[C@@H]1COCc1ccccc1)C	0.13	0.502	0.051	0.221	0.042	0.705	0.164	0.005	0.38	0.004	0.213
Compound_972	Brc1cccc(c1)C(=O)c1cnc(o1)N	0.322	0.508	0.648	0.607	0.647	0.623	0.13	0.184	0.641	0.053	0.316
Compound_973	Nc1ncc(o1)C(=O)N(Cc1ccccc1)Cc1ccccc1	0.185	0.613	0.412	0.508	0.229	0.518	0.059	0.047	0.483	0.036	0.408
Compound_974	Nc1nc(OCCOc2ccccc2)nc(n1)N	0.361	0.541	0.867	0.628	0.208	0.264	0.028	0.319	0.797	0.05	0.769
Compound_975	SCCC(=O)NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C	0.227	0.473	0.141	0.207	0.224	0.68	0.772	0.586	0.404	0.008	0.217
Compound_976	CCCCCCCCCC(=O)CC(=O)N[C@H]1CCNC1=O	0.141	0.418	0.116	0.29	0.053	0.093	0.041	0.069	0.44	0.03	0.293
Compound_977	OCCNC(=O)CCNC(=O)[C@@H](C(COC(=O)C(C)(C)C)(C)C)O	0.066	0.133	0.006	0.321	0.023	0.035	0.0	0.171	0.264	0.03	0.065
Compound_978	CC([C@H](c1ocnn1)NC(=O)OC(C)(C)C)C	0.122	0.283	0.106	0.357	0.23	0.427	0.007	0.268	0.398	0.057	0.434
Compound_979	CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N	0.17	0.098	0.026	0.344	0.369	0.045	0.302	0.009	0.099	0.046	0.11
Compound_980	OC(=O)[C@H](CSCCC(=O)c1ccc(c(c1)Cl)Cl)N	0.113	0.333	0.538	0.334	0.415	0.226	0.056	0.516	0.361	0.01	0.168
Compound_981	O=C(Nc1ccc2c(c1)c(ncn2)Nc1ccccc1)CCSC[C@@H](C(=O)O)N	0.547	0.509	0.925	0.501	0.708	0.684	0.908	0.822	0.216	0.098	0.422
Compound_982	CCCCCC(=O)N[C@H](C(=O)O)CCS	0.014	0.085	0.006	0.202	0.121	0.067	0.001	0.038	0.26	0.022	0.107
Compound_983	O[C@H](COc1cccc2c1CC(=N2)C#N)CNC(C)(C)C	0.062	0.574	0.023	0.146	0.521	0.224	0.019	0.006	0.368	0.025	0.42
Compound_984	NCC[C@@H](c1cccc(c1)Cl)C(=O)Nc1ccc2c(c1)c(n[nH]2)NC(=O)c1ccccc1	0.616	0.627	0.999	0.587	0.729	0.71	0.98	0.078	0.356	0.02	0.404
Compound_985	CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(O)(O)O	0.418	0.576	0.201	0.455	0.087	0.316	0.007	0.062	0.366	0.065	0.292
Compound_986	c1ccc(cc1)c1ccc(cc1)Cn1ccnc1	0.871	0.566	0.458	0.734	0.444	0.928	0.178	0.398	0.676	0.65	0.511
Compound_987	CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](C[C@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O	0.55	0.535	0.002	0.461	0.187	0.456	0.505	0.044	0.674	0.805	0.071
Compound_988	CCCCCCCC1=C(O)C(=O)c2c(C1=O)ncs2	0.637	0.648	0.24	0.515	0.17	0.652	0.76	0.282	0.614	0.159	0.653
Compound_989	Nc1nc(N)c2c(n1)cccc2OCC1CCN(CC1)Cc1cccc(c1Cl)Cl	0.247	0.413	0.899	0.27	0.832	0.74	0.274	0.815	0.504	0.82	0.893
Compound_990	OC(=O)[C@@H](NC(=O)COc1ccccc1)CON=C(C(=O)O)CCC(=O)O	0.127	0.482	0.181	0.371	0.118	0.221	0.048	0.051	0.349	0.581	0.197
Compound_991	O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cc(C)c(cc1F)F	0.698	0.447	0.013	0.432	0.167	0.059	0.247	0.05	0.461	0.757	0.242
Compound_992	CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(CO[P@@H](=O)O)(C)C)O	0.132	0.208	0.0	0.373	0.225	0.224	0.003	0.032	0.212	0.09	0.435
Compound_993	CC[C@H](O[P@@](=O)(Cl)C)COc1ccccc1	0.242	0.427	0.459	0.632	0.59	0.051	0.899	0.808	0.666	0.631	0.59
Compound_994	CC([C@@H](C(=O)O)NS(=O)(=O)c1ccc2c(c1)sc1c2cccc1)C	0.289	0.472	0.033	0.274	0.339	0.622	0.934	0.684	0.243	0.225	0.179
Compound_995	COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N	0.549	0.643	0.226	0.437	0.554	0.42	0.242	0.863	0.429	0.034	0.74
Compound_996	Fc1ccc(cc1)n1ncc(c1N)C(=O)c1cccc(c1)OC1CCNCC1	0.128	0.643	0.304	0.377	0.716	0.593	0.67	0.145	0.176	0.008	0.231
Compound_997	C[C@@H](C(=O)C[P@@H](=O)O)[C@H](CC)O	0.405	0.125	0.005	0.19	0.381	0.309	0.903	0.033	0.123	0.192	0.443
Compound_998	OC[C@H]1O[C@H]2C=C[C@@H]3[C@@H](O[C@@H]2CC=C[C@@H]1O)C[C@@H]1[C@@H](O3)[C@H](O)[C@@H]2[C@@H](O1)CC=CCO2	0.944	0.457	0.028	0.404	0.872	0.694	0.492	0.408	0.656	0.502	0.349
Compound_999	CC(=O)Nc1cc2cccnc2c2c1cccn2	0.422	0.831	0.826	0.52	0.253	0.649	0.386	0.545	0.83	0.569	0.85
Compound_1000	O=C(N1CCC(CC1)c1onc(n1)c1cccs1)OC(C)(C)C	0.289	0.609	0.022	0.529	0.317	0.724	0.321	0.806	0.436	0.599	0.227