File: MORSE.out

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ZINC03815361	595	30.883	-0.872	-1.301	-4.581	-2.397	4.85	0.49	0.094	-0.262	-0.403	-0.781	0.569	0.285	0.522	0.921	-0.752	-1.837	0.391	1.388	-0.233	-0.362	-0.562	-0.234	0.937	-0.023	0.273	-0.561	-0.285	0.181	0.52	-0.128	210.466	18.568	-1.624	-1.279	-3.174	0.613	4.075	-1.579	-1.794	0.472	0.558	0.792	-0.995	-0.729	0.939	0.399	0.059	-0.744	-0.05	0.611	0.088	-0.287	-0.375	0.119	0.405	-0.025	-0.154	-0.103	0.045	0.222	-0.072	-0.182	238.247	18.486	-1.021	-1.085	-3.119	0.064	3.564	-0.914	-1.29	0.319	0.5	0.112	-0.577	-0.319	0.763	0.397	-0.213	-0.788	0.122	0.645	-0.028	-0.298	-0.358	0.082	0.458	-0.056	-0.076	-0.135	0.03	0.103	0.045	-0.093	585.063	30.748	-0.959	-1.102	-4.789	-2.289	5.136	0.344	-0.096	-0.225	-0.304	-0.625	0.379	0.19	0.626	0.895	-0.667	-1.807	0.312	1.387	-0.161	-0.354	-0.567	-0.251	0.942	-0.003	0.228	-0.532	-0.279	0.199	0.477	-0.155	268.832	19.345	-0.772	-1.062	-3.184	-0.297	3.473	-0.599	-1.045	0.231	0.408	-0.174	-0.354	-0.134	0.687	0.42	-0.349	-0.863	0.206	0.706	-0.092	-0.304	-0.372	0.049	0.518	-0.066	-0.031	-0.176	0	0.067	0.129	-0.066	757.011	36.001	-1.49	-1.185	-5.302	-3.217	5.64	0.778	0.676	-0.464	-0.784	-0.858	0.868	0.334	0.515	1.183	-0.83	-2.326	0.39	1.714	-0.251	-0.398	-0.597	-0.372	1.061	0.005	0.431	-0.72	-0.405	0.274	0.613	-0.185	1445.262	87.323	-3.605	-1.843	-16.162	-3.495	17.948	-1.852	-3.163	-0.162	0.252	0.663	-1.525	-0.71	3.16	1.951	-0.798	-4.535	0.19	3.953	0.064	-1.053	-1.884	-0.572	2.672	0.285	-0.03	-1.129	-0.691	0.785	0.91	-0.676
ZINC00007282	496	26.683	-1.067	-1.801	-4.085	-1.628	4.558	0.376	-0.313	0.03	-0.001	-0.533	0.155	-0.082	0.666	0.705	-0.483	-1.708	0.249	1.106	-0.075	-0.419	-0.532	-0.211	1.012	-0.092	0.169	-0.372	-0.324	0.236	0.438	-0.132	243.771	18.284	-2.782	-1.433	-3.465	1.528	3.365	-1.419	-1.677	0.395	0.957	0.898	-0.901	-0.988	0.931	0.302	0.292	-0.692	-0.372	0.842	0.033	-0.218	-0.392	0.073	0.629	-0.115	-0.137	-0.074	-0.023	0.25	-0.031	-0.071	222.944	17.067	-1.521	-1.29	-2.998	0.409	3.238	-0.815	-1.272	0.359	0.65	0.272	-0.583	-0.549	0.829	0.324	-0.059	-0.77	-0.073	0.682	-0.016	-0.279	-0.369	0.076	0.574	-0.131	-0.08	-0.075	0.006	0.158	-0.007	-0.066	500.519	26.842	-1.424	-1.612	-4.394	-1.425	4.738	0.267	-0.493	0.047	0.111	-0.37	0.016	-0.206	0.762	0.686	-0.365	-1.692	0.147	1.135	-0.022	-0.404	-0.544	-0.237	1.028	-0.072	0.134	-0.351	-0.334	0.263	0.402	-0.143	247.875	17.586	-1.344	-1.297	-3.028	0.149	3.087	-0.52	-1.037	0.305	0.584	-0.003	-0.407	-0.389	0.761	0.323	-0.159	-0.832	0.01	0.709	-0.067	-0.289	-0.374	0.051	0.618	-0.145	-0.039	-0.096	-0.029	0.119	0.071	-0.039	628.001	30.964	-1.577	-1.757	-4.783	-2.216	5.339	0.63	0.029	-0.095	-0.226	-0.605	0.307	-0.075	0.685	0.897	-0.525	-2.137	0.263	1.328	-0.043	-0.485	-0.562	-0.361	1.159	-0.054	0.266	-0.484	-0.466	0.328	0.544	-0.192	1392.113	79.269	-8.534	-3.392	-16.059	0.098	15.588	-1.518	-4.074	0.229	1.836	1.558	-1.862	-2.281	3.382	1.345	0.348	-4.285	-0.683	3.791	0.156	-0.948	-1.887	-0.626	3.225	-0.002	-0.141	-0.758	-0.966	1.047	0.824	-0.38
ZINC03815304	528	27.18	-0.729	-2.047	-4.122	-1.899	5.26	0.182	-0.232	-0.077	-0.194	-0.479	0.168	0.104	0.58	0.788	-0.769	-1.695	0.376	1.012	-0.104	-0.547	-0.431	-0.283	1.051	-0.174	0.171	-0.316	-0.309	0.35	0.352	-0.096	229.423	18.448	-1.788	-1.716	-3.221	0.517	4.189	-1.538	-1.75	0.435	0.41	1.018	-0.862	-0.727	1.01	0.393	0.014	-0.754	-0.081	0.539	0.017	-0.36	-0.331	0.075	0.529	-0.132	-0.21	0.007	0.006	0.385	-0.181	-0.154	237.348	17.658	-1.226	-1.484	-3.025	0.173	3.696	-0.963	-1.312	0.35	0.42	0.335	-0.578	-0.431	0.849	0.372	-0.218	-0.809	0.067	0.563	-0.056	-0.353	-0.315	0.065	0.563	-0.177	-0.11	-0.024	-0.001	0.229	-0.08	-0.056	529.304	27.333	-0.885	-1.936	-4.358	-1.859	5.541	0.059	-0.382	-0.065	-0.137	-0.297	0.041	0.031	0.667	0.791	-0.688	-1.674	0.297	1.011	-0.05	-0.554	-0.433	-0.312	1.058	-0.153	0.128	-0.287	-0.306	0.394	0.307	-0.125	256.788	18.064	-0.993	-1.474	-3.02	-0.095	3.614	-0.701	-1.104	0.297	0.372	0.057	-0.426	-0.291	0.781	0.381	-0.338	-0.88	0.145	0.601	-0.096	-0.36	-0.325	0.043	0.614	-0.194	-0.058	-0.057	-0.027	0.183	-0.006	-0.025	669.003	31.393	-1.062	-2.137	-4.749	-2.654	6.227	0.413	0.206	-0.242	-0.465	-0.527	0.338	0.197	0.539	1.017	-0.894	-2.097	0.409	1.206	-0.069	-0.665	-0.429	-0.469	1.207	-0.147	0.27	-0.409	-0.434	0.483	0.444	-0.159	1625.097	85.884	-3.656	-7.436	-16.185	-4.487	19.885	-1.593	-2.811	-0.692	-0.975	2.64	-0.888	0.084	2.657	1.717	-1.305	-3.954	0.777	2.362	-0.254	-2.24	-1.105	-1.018	3.15	-0.361	-0.59	-0.113	-0.781	2.279	0.198	-0.663
ZINC03815353	595	19.476	1.58	-1.513	-4.842	-1.796	3.844	0.309	-0.509	0.101	-0.475	-0.488	0.251	-0.156	0.446	0.626	-0.346	-1.86	0.453	1.629	-0.447	-0.651	-0.522	-0.26	1.154	-0.002	-0.031	-0.21	-0.499	0.204	0.409	-0.031	270.477	13.31	-1.652	-1.325	-3.303	1.01	3.405	-1.563	-1.343	0.677	0.799	0.932	-1.069	-1.074	1.048	0.359	0.133	-0.805	-0.334	0.883	-0.022	-0.385	-0.263	0.033	0.707	-0.36	-0.149	0.013	-0.032	0.282	-0.151	-0.025	256.438	12.057	-0.436	-1.193	-3.122	0.01	3.152	-0.881	-1.226	0.624	0.438	0.398	-0.685	-0.614	0.817	0.278	-0.117	-0.792	0.043	0.832	-0.058	-0.416	-0.276	0.036	0.694	-0.233	-0.135	0.003	-0.074	0.193	-0.081	-0.004	595.994	19.923	1.105	-1.443	-4.952	-1.718	4.084	0.184	-0.718	0.171	-0.307	-0.353	0.081	-0.272	0.537	0.605	-0.271	-1.862	0.354	1.605	-0.402	-0.637	-0.54	-0.277	1.173	-0.021	-0.075	-0.192	-0.485	0.235	0.362	-0.028	288.744	12.21	0.037	-1.105	-3.319	-0.179	2.977	-0.534	-1.024	0.53	0.279	0.103	-0.46	-0.439	0.738	0.278	-0.197	-0.868	0.131	0.905	-0.13	-0.437	-0.298	-0.01	0.731	-0.212	-0.113	-0.014	-0.127	0.148	0.007	0.016	754.867	23.225	1.398	-1.521	-5.511	-2.329	4.378	0.45	-0.263	-0.076	-0.722	-0.58	0.437	-0.171	0.349	0.807	-0.296	-2.382	0.49	1.99	-0.603	-0.745	-0.578	-0.376	1.311	0.077	-0.004	-0.281	-0.659	0.271	0.549	-0.069	1584.586	59.514	0.1	-3.252	-16.127	-2.354	13.126	-1.593	-4.05	1.164	0.801	1.142	-1.929	-2.206	3.093	1.095	0.006	-4.725	-0.175	4.321	-0.614	-1.733	-1.737	-0.689	3.582	-0.37	-0.594	-0.313	-1.134	0.994	0.485	-0.048
ZINC00118570	378	25.335	-1.422	0.197	-3.815	-3.284	4.334	-0.282	-0.712	0.006	0.225	0.023	-0.5	0.027	0.543	0.401	-0.67	-1.323	0.272	1.203	-0.49	0.248	-1.008	-0.328	1.244	-0.19	-0.019	-0.303	0.024	0.033	0.035	-0.095	160.653	17.146	-1.967	-0.328	-3.451	1.072	3.353	-1.335	-1.496	0.497	0.086	1.364	-1.068	-1.086	1.189	0.026	0.35	-0.862	-0.381	0.89	-0.16	-0.094	-0.532	0.019	0.654	-0.269	-0.22	-0.052	0.139	0.356	-0.281	-0.153	175.528	17.311	-1.573	-0.339	-3.037	0.159	3.075	-0.901	-1.18	0.317	0.233	0.797	-0.857	-0.646	0.94	0.129	0.057	-0.909	-0.096	0.847	-0.255	-0.059	-0.586	0.053	0.693	-0.317	-0.168	-0.025	0.111	0.238	-0.232	-0.122	373.63	25.432	-1.59	0.276	-4.004	-3.03	4.426	-0.349	-0.849	0.027	0.221	0.183	-0.574	-0.116	0.636	0.376	-0.579	-1.278	0.132	1.23	-0.434	0.215	-0.966	-0.357	1.228	-0.168	-0.046	-0.312	0.021	0.088	0.018	-0.118	192.873	17.977	-1.38	-0.366	-2.902	-0.399	3.071	-0.706	-1.043	0.243	0.266	0.549	-0.746	-0.449	0.828	0.183	-0.097	-0.953	0.034	0.859	-0.305	-0.028	-0.641	0.045	0.746	-0.328	-0.138	-0.034	0.092	0.177	-0.186	-0.111	467.819	28.405	-1.96	0.86	-4.551	-4.362	4.989	-0.286	-0.588	-0.067	0.209	-0.05	-0.517	0.125	0.492	0.444	-0.847	-1.467	0.27	1.358	-0.545	0.36	-1.104	-0.536	1.438	-0.084	0.002	-0.433	0.031	0.005	0.068	-0.078	1022.506	81.4	-6.254	0.168	-14.387	-3.843	15.126	-2.674	-4.867	0.89	0.257	3.27	-2.97	-2.609	3.614	0.649	-0.269	-3.672	-1.153	4.267	-0.828	0.046	-2.683	-0.912	3.515	-0.547	-0.604	-0.815	0.107	1.019	-0.292	-0.666
ZINC03815331	378	25.806	-2.142	0.384	-4.058	-3.042	4.192	-0.338	-0.497	0.122	0.074	-0.091	-0.503	0.052	0.706	0.481	-0.779	-1.404	0.367	1.252	-0.754	0.387	-1.157	-0.327	1.311	-0.263	-0.01	-0.293	-0.076	0.098	0.09	-0.119	160.653	16.671	-2.026	-0.275	-3.535	1.408	3.162	-1.456	-1.444	0.699	0.135	1.221	-1.147	-1.018	1.303	-0.007	0.302	-1.014	-0.26	0.921	-0.305	-0.054	-0.588	0.062	0.729	-0.331	-0.293	0.035	0.051	0.358	-0.31	-0.181	175.528	17.496	-1.725	-0.223	-3.147	0.453	2.91	-1.023	-1.141	0.436	0.274	0.704	-0.948	-0.593	1.072	0.078	0.003	-1.002	-0.024	0.926	-0.412	0.008	-0.64	0.059	0.776	-0.395	-0.193	0.034	0.027	0.244	-0.254	-0.143	373.63	25.578	-2.149	0.342	-4.241	-2.757	4.248	-0.427	-0.638	0.181	0.068	0.054	-0.556	-0.105	0.798	0.457	-0.694	-1.39	0.239	1.254	-0.693	0.352	-1.117	-0.349	1.303	-0.23	-0.044	-0.278	-0.084	0.148	0.076	-0.144	192.873	18.499	-1.597	-0.208	-3.026	-0.122	2.935	-0.811	-1.012	0.33	0.305	0.474	-0.845	-0.4	0.964	0.142	-0.155	-1.026	0.092	0.954	-0.469	0.054	-0.702	0.037	0.83	-0.409	-0.146	0.006	0.008	0.193	-0.202	-0.131	467.819	28.557	-2.749	0.786	-4.893	-4.119	4.809	-0.349	-0.271	0.077	-0.064	-0.184	-0.433	0.117	0.661	0.596	-0.968	-1.592	0.394	1.355	-0.847	0.525	-1.315	-0.52	1.504	-0.154	0.012	-0.417	-0.086	0.095	0.163	-0.104	1022.506	79.157	-6.072	-0.407	-15.032	-2.411	14.361	-3.059	-4.474	1.786	0.183	2.605	-2.88	-2.655	4.072	0.947	-0.704	-4.359	-0.671	4.136	-1.482	0.395	-3.151	-0.814	3.885	-0.641	-0.717	-0.578	-0.291	1.203	-0.19	-0.756
ZINC00151213	378	23.986	-1.654	-0.136	-3.778	-2.585	3.868	-0.023	-0.93	0.188	0.226	0.226	-0.553	0.018	0.599	0.519	-0.653	-1.27	0.04	1.233	-0.434	0.192	-0.952	-0.408	1.068	-0.178	-0.08	-0.307	0.069	0.052	-0.03	-0.099	281.126	16.96	-4.095	-0.727	-3.693	1.896	2.861	-0.305	-2.017	0.689	-0.498	1.709	-0.992	-0.511	1.14	0.411	0.219	-0.997	-0.476	1.093	-0.078	-0.189	-0.359	-0.372	0.551	-0.303	-0.184	-0.436	0.403	0.205	-0.323	-0.286	194.912	16.974	-1.948	-0.369	-3.081	0.419	2.855	-0.723	-1.275	0.415	0.139	0.913	-0.864	-0.559	0.938	0.215	0.053	-0.91	-0.144	0.882	-0.236	-0.079	-0.548	-0.027	0.637	-0.32	-0.17	-0.083	0.162	0.22	-0.261	-0.135	379.793	24.138	-1.948	-0.08	-3.985	-2.309	3.964	-0.08	-1.085	0.209	0.193	0.392	-0.624	-0.095	0.681	0.508	-0.575	-1.235	-0.095	1.272	-0.38	0.165	-0.917	-0.444	1.055	-0.156	-0.103	-0.329	0.073	0.102	-0.052	-0.122	219.489	17.463	-1.851	-0.399	-2.964	-0.048	2.727	-0.451	-1.183	0.396	0.143	0.713	-0.764	-0.329	0.812	0.307	-0.101	-0.937	-0.05	0.903	-0.289	-0.053	-0.595	-0.061	0.661	-0.322	-0.145	-0.112	0.155	0.155	-0.22	-0.129	463.076	26.838	-2.18	0.307	-4.476	-3.465	4.435	0.057	-0.885	0.142	0.232	0.181	-0.573	0.099	0.566	0.593	-0.839	-1.404	-0.043	1.4	-0.468	0.285	-1.045	-0.626	1.22	-0.068	-0.084	-0.428	0.079	0.029	-0.01	-0.084	1086.244	76.87	-8.243	-0.603	-14.385	-1.799	13.855	-1.791	-5.415	1.287	-0.187	3.927	-3.016	-2.263	3.629	1.098	-0.398	-3.595	-1.609	4.377	-0.631	-0.024	-2.481	-1.265	3.085	-0.533	-0.684	-1.03	0.345	0.976	-0.469	-0.698
ZINC00151212	378	24.837	-1.615	0.059	-4.074	-2.768	4.393	-0.38	-0.855	-0.046	0.319	0.161	-0.613	-0.231	0.739	0.434	-0.606	-1.294	-0.051	1.262	-0.397	0.167	-0.976	-0.405	1.211	-0.157	-0.087	-0.276	0.034	0.143	-0.006	-0.139	188.125	18.183	-2.038	-0.419	-3.693	1.078	3.698	-1.516	-1.633	0.468	-0.048	1.534	-1.148	-1.294	1.416	0.014	0.43	-0.948	-0.585	1.046	-0.123	-0.059	-0.625	-0.057	0.778	-0.244	-0.225	-0.099	0.13	0.474	-0.275	-0.206	182.775	17.496	-1.656	-0.381	-3.163	0.288	3.189	-1.009	-1.243	0.31	0.21	0.894	-0.906	-0.756	1.051	0.123	0.102	-0.93	-0.199	0.902	-0.232	-0.057	-0.601	0.022	0.715	-0.313	-0.176	-0.025	0.115	0.293	-0.248	-0.139	387.421	25.267	-1.954	0.205	-4.406	-2.551	4.629	-0.538	-1.003	-0.08	0.285	0.331	-0.716	-0.417	0.867	0.42	-0.513	-1.267	-0.246	1.332	-0.331	0.138	-0.966	-0.46	1.25	-0.116	-0.117	-0.3	0.022	0.234	-0.02	-0.182	191.643	17.748	-1.439	-0.393	-2.964	-0.213	3.076	-0.773	-1.081	0.256	0.279	0.628	-0.783	-0.533	0.909	0.178	-0.058	-0.954	-0.043	0.881	-0.281	-0.04	-0.629	0.028	0.726	-0.33	-0.149	-0.02	0.103	0.214	-0.21	-0.114	477.993	27.962	-2.361	0.725	-5.005	-3.723	5.157	-0.43	-0.77	-0.206	0.344	0.084	-0.679	-0.227	0.745	0.524	-0.792	-1.424	-0.213	1.457	-0.404	0.236	-1.084	-0.664	1.438	-0.016	-0.104	-0.407	0.03	0.168	0.024	-0.158	1321.62	86.066	-9.831	1.443	-17.645	-3.623	18.148	-4.91	-5.367	-0.03	-0.688	4.321	-3.955	-4.564	5.498	0.651	0.116	-4.019	-3.524	5.594	-0.286	0.046	-3.33	-1.829	4.65	-0.006	-0.81	-1.14	-0.117	2.207	-0.174	-1.265
ZINC03815388	435	27.572	-1.366	0.293	-4.191	-3.669	4.44	-0.284	-0.47	-0.151	0.095	-0.034	-0.688	0.088	0.869	0.29	-0.441	-1.462	-0.14	1.392	-0.228	0.26	-0.915	-0.371	1.163	-0.12	-0.11	-0.053	-0.01	0.035	0.017	-0.217	183.793	18.082	-2.14	-0.383	-3.565	0.942	3.618	-1.426	-1.583	0.48	-0.084	1.54	-1.136	-1.215	1.369	-0.013	0.492	-0.866	-0.537	0.949	-0.107	-0.038	-0.553	-0.037	0.662	-0.212	-0.247	-0.071	0.136	0.359	-0.23	-0.212	195.309	18.147	-1.616	-0.262	-3.178	0.039	3.231	-0.951	-1.183	0.277	0.162	0.882	-0.927	-0.702	1.073	0.076	0.179	-0.929	-0.244	0.9	-0.188	-0.031	-0.581	0.012	0.686	-0.269	-0.198	0.005	0.111	0.248	-0.217	-0.167	433.237	27.935	-1.463	0.428	-4.496	-3.479	4.564	-0.366	-0.618	-0.137	0.053	0.107	-0.784	-0.065	0.99	0.284	-0.351	-1.422	-0.289	1.416	-0.155	0.247	-0.883	-0.422	1.147	-0.084	-0.129	-0.07	-0.013	0.079	0.001	-0.241	213.288	18.73	-1.431	-0.259	-3.033	-0.506	3.185	-0.744	-1.012	0.189	0.235	0.606	-0.82	-0.478	0.953	0.12	0.031	-0.982	-0.124	0.918	-0.227	-0.012	-0.62	0.014	0.731	-0.284	-0.176	0.022	0.092	0.192	-0.185	-0.154	547.214	31.843	-1.714	0.941	-5.179	-4.995	5.113	-0.262	-0.224	-0.279	-0.047	-0.207	-0.778	0.235	0.962	0.34	-0.588	-1.677	-0.292	1.623	-0.163	0.39	-0.984	-0.608	1.32	0.006	-0.105	-0.076	-0.03	-0.017	0.045	-0.253	1240.953	91.583	-6.045	1.295	-16.972	-5.979	16.364	-3.071	-4.433	0.374	-1.039	3.268	-3.819	-2.778	5.222	0.497	0.564	-3.977	-2.611	4.746	0.108	0.469	-2.515	-1.458	3.223	-0.122	-0.769	-0.353	-0.013	0.836	-0.197	-1.086
ZINC00104621	465	28.395	-2.124	0.566	-4.378	-3.252	4.067	-0.165	-0.194	-0.197	-0.035	0.035	-0.112	0.103	0.479	0.491	-0.856	-1.42	0.361	1.401	-0.702	0.27	-0.998	-0.366	1.241	-0.021	0.029	-0.396	-0.074	0.071	0.172	-0.049	182.352	18.218	-2.005	-0.208	-3.608	1.143	3.407	-1.495	-1.386	0.538	0.119	1.198	-1.083	-1.014	1.13	0.012	0.291	-0.874	-0.295	0.802	-0.197	-0.072	-0.498	0.043	0.592	-0.211	-0.207	-0.064	0.152	0.328	-0.226	-0.133	205.395	18.696	-1.622	-0.125	-3.342	0.212	3.108	-1.011	-1.024	0.316	0.233	0.639	-0.818	-0.564	0.882	0.131	-0.032	-0.919	-0.009	0.803	-0.313	-0.035	-0.57	0.058	0.645	-0.237	-0.169	-0.053	0.113	0.211	-0.165	-0.099	456.68	28.325	-2.235	0.697	-4.54	-2.986	4.198	-0.26	-0.34	-0.163	-0.022	0.174	-0.211	-0.028	0.569	0.451	-0.762	-1.361	0.229	1.405	-0.634	0.237	-0.956	-0.388	1.222	-0.004	-0.005	-0.395	-0.07	0.117	0.152	-0.073	229.118	19.581	-1.466	-0.102	-3.287	-0.358	3.079	-0.779	-0.851	0.215	0.239	0.403	-0.667	-0.364	0.771	0.196	-0.203	-0.967	0.119	0.848	-0.381	-0.002	-0.633	0.037	0.707	-0.235	-0.142	-0.072	0.085	0.155	-0.11	-0.085	578.096	32.09	-3.021	1.179	-5.092	-4.307	4.572	-0.115	0.088	-0.347	-0.158	0.053	0.019	0.191	0.427	0.576	-1.056	-1.614	0.37	1.644	-0.814	0.37	-1.077	-0.567	1.441	0.114	0.09	-0.544	-0.114	0.077	0.233	-0.025	1196.119	86.59	-6.828	2.266	-15.853	-3.584	14.928	-2.849	-3.358	0.48	-0.219	2.826	-2.346	-2.144	3.339	0.647	-0.786	-3.667	-0.831	4.316	-1.149	0.127	-2.621	-0.945	3.385	-0.052	-0.532	-1	-0.022	0.964	0.075	-0.502
ZINC03815229	351	22.796	-1.67	0.27	-3.667	-2.136	3.66	0.13	-1.038	-0.107	0.581	0.499	-0.538	-0.264	0.722	0.326	-0.255	-1.024	-0.156	1.296	-0.209	0.012	-0.817	-0.23	0.995	-0.013	-0.053	-0.44	0.094	0.218	0.107	-0.112	283.012	19.364	-3.279	1.169	-3.817	1.953	2.988	-0.444	-2.527	0.845	-0.166	2.108	-1.233	-0.854	0.578	0.076	0.345	-0.865	-0.643	1.148	0.085	-0.226	-0.456	-0.204	0.676	0.036	-0.046	-0.42	0.474	0.329	-0.18	-0.327	185.08	16.682	-1.809	0.042	-2.997	0.421	2.865	-0.668	-1.371	0.362	0.226	1.019	-0.813	-0.723	0.86	0.171	0.125	-0.741	-0.275	0.897	-0.126	-0.11	-0.487	0.017	0.651	-0.163	-0.148	-0.173	0.246	0.24	-0.152	-0.142	358.425	23.457	-1.943	0.41	-3.933	-1.916	3.815	0.063	-1.222	-0.064	0.545	0.694	-0.611	-0.399	0.782	0.319	-0.177	-1.007	-0.301	1.353	-0.171	0.003	-0.803	-0.293	1.009	0.027	-0.074	-0.475	0.107	0.271	0.074	-0.14	203.968	16.736	-1.721	0.151	-2.85	0.036	2.722	-0.419	-1.305	0.317	0.272	0.847	-0.748	-0.502	0.736	0.219	-0.005	-0.764	-0.176	0.908	-0.165	-0.101	-0.516	0.037	0.652	-0.158	-0.113	-0.194	0.248	0.195	-0.103	-0.122	435.471	25.919	-2.212	0.683	-4.345	-2.932	4.173	0.304	-1.036	-0.256	0.728	0.542	-0.559	-0.243	0.753	0.351	-0.284	-1.118	-0.303	1.523	-0.2	0.047	-0.901	-0.427	1.141	0.11	-0.038	-0.599	0.061	0.269	0.144	-0.12	1084.244	79.124	-7.441	1.738	-15.116	-1.277	14.08	-1.621	-6.008	0.845	0.484	5.04	-2.926	-3.452	3.505	0.676	0.611	-3.032	-2.375	4.657	-0.079	-0.296	-2.41	-1.209	3.241	0.296	-0.605	-1.612	0.565	1.391	-0.152	-0.797
ZINC03815317	990	44.366	-11.151	7.51	-8.122	-3.094	2.127	0.739	2.342	0.135	-0.673	-3.603	0.628	3.222	0.732	-0.565	-1.201	-1.581	1.546	1.59	-1.048	0.209	-0.501	-0.332	0.16	0.516	0.02	-0.124	-1.207	0.013	0.847	0.218	212.675	16.838	-3.799	-0.484	-2.937	2.198	1.534	-2.174	-0.349	1.334	0.047	-0.722	-1.126	1.208	0.833	-0.515	-0.408	-0.273	0.875	-0.128	-0.493	0.146	0.225	0.064	-0.254	0.008	0.246	0.086	-0.108	-0.191	0.247	0.086	276.775	19.618	-3.962	0.566	-3.077	0.959	1.328	-1.063	0.114	0.78	0.106	-1.4	-0.525	1.538	0.539	-0.492	-0.468	-0.43	0.979	0.047	-0.493	0.198	-0.008	-0.058	-0.101	0.202	0.198	-0.081	-0.32	-0.04	0.398	0.017	956.246	44.449	-10.81	7.095	-8.029	-2.866	2.132	0.608	2.153	0.27	-0.477	-3.637	0.465	3.174	0.864	-0.562	-1.199	-1.585	1.518	1.534	-1.013	0.217	-0.421	-0.339	0.107	0.471	0.059	-0.058	-1.103	-0.101	0.765	0.248	339.15	21.992	-4.413	1.301	-3.371	0.262	1.35	-0.556	0.371	0.56	0.043	-1.742	-0.226	1.745	0.442	-0.507	-0.538	-0.542	1.075	0.191	-0.537	0.209	-0.138	-0.102	-0.013	0.291	0.158	-0.145	-0.463	0.029	0.503	-0.003	1324.702	54.86	-15.043	10.895	-10.752	-4.427	2.453	0.912	3.451	0.112	-1.027	-4.389	0.822	3.882	1.014	-0.548	-1.48	-2.065	1.584	2.304	-1.263	0.222	-0.503	-0.496	0.097	0.567	0.001	-0.048	-1.446	-0.113	0.884	0.377	1732.601	92.81	-18.723	11.694	-15.928	-4.196	4.752	-0.354	3.153	2.321	-0.329	-7.119	-0.581	5.889	3.241	-1.243	-2.574	-2.974	2.716	2.703	-1.784	0.452	-0.211	-0.753	-0.301	0.567	0.333	0.531	-1.495	-1.21	1.028	0.69
ZINC03815247	351	23.14	-1.423	-0.169	-3.671	-2.151	3.639	0.19	-1.115	0.109	0.196	0.351	-0.42	-0.472	0.978	0.285	-0.352	-1.083	-0.369	1.298	-0.294	-0.069	-0.779	-0.372	0.894	-0.021	-0.152	-0.28	0.005	0.137	0.034	-0.136	283.012	17.214	-4.026	-0.748	-3.714	1.789	2.982	-0.238	-2.088	0.509	-0.434	1.732	-0.942	-0.672	1.189	0.289	0.264	-0.934	-0.62	1.038	-0.047	-0.192	-0.42	-0.381	0.586	-0.183	-0.206	-0.551	0.455	0.184	-0.153	-0.262	185.08	16.458	-1.897	-0.355	-3.032	0.401	2.821	-0.636	-1.34	0.299	0.128	0.936	-0.747	-0.735	0.98	0.12	0.139	-0.796	-0.355	0.854	-0.174	-0.127	-0.519	-0.045	0.592	-0.179	-0.19	-0.176	0.188	0.212	-0.157	-0.153	358.425	23.728	-1.786	-0.083	-3.898	-1.907	3.796	0.13	-1.265	0.138	0.192	0.537	-0.513	-0.574	1.053	0.292	-0.258	-1.088	-0.5	1.368	-0.257	-0.081	-0.782	-0.414	0.911	-0.005	-0.177	-0.317	0.022	0.187	0.011	-0.162	203.968	16.565	-1.775	-0.385	-2.87	0.005	2.634	-0.368	-1.24	0.282	0.123	0.723	-0.639	-0.529	0.886	0.173	-0.005	-0.799	-0.274	0.85	-0.218	-0.133	-0.537	-0.072	0.587	-0.18	-0.169	-0.182	0.173	0.145	-0.127	-0.13	435.471	26.404	-1.921	0.229	-4.273	-2.936	4.164	0.382	-1.135	0.074	0.229	0.357	-0.443	-0.514	1.076	0.331	-0.427	-1.214	-0.539	1.573	-0.317	-0.05	-0.836	-0.577	1.017	0.08	-0.166	-0.373	-0.018	0.166	0.05	-0.14	1084.244	78.91	-8.106	-0.441	-14.607	-1.134	14.09	-1.329	-5.975	0.989	-0.014	4.558	-2.871	-3.584	4.463	0.679	0.568	-3.554	-2.797	4.8	-0.346	-0.471	-2.563	-1.269	3.065	-0.009	-0.911	-1.364	0.385	1.214	-0.162	-0.857
ZINC03815375	351	23.584	-1.774	-0.123	-3.56	-2.343	3.793	0.032	-0.968	0.113	0.292	0.388	-0.356	-0.08	0.821	0.649	-0.29	-1.058	-0.293	1.287	-0.12	0.109	-0.801	-0.319	0.85	0.033	-0.12	-0.428	0.189	0.097	0.141	-0.086	283.012	17.923	-4.139	-0.646	-3.756	1.646	3.034	-0.167	-2.15	0.871	-0.705	2.023	-0.976	-0.552	0.878	0.69	0.362	-0.824	-0.86	1.223	0.039	-0.099	-0.356	-0.391	0.39	-0.03	-0.19	-0.555	0.448	0.262	-0.198	-0.338	185.08	16.576	-1.952	-0.323	-2.943	0.283	2.883	-0.62	-1.264	0.396	0.146	0.982	-0.695	-0.637	0.884	0.336	0.128	-0.703	-0.365	0.882	-0.066	-0.083	-0.442	-0.096	0.544	-0.117	-0.181	-0.181	0.23	0.218	-0.137	-0.153	358.425	24.139	-2.026	-0.097	-3.781	-2.149	3.953	-0.029	-1.167	0.143	0.241	0.581	-0.438	-0.217	0.868	0.656	-0.212	-1.037	-0.445	1.343	-0.07	0.088	-0.775	-0.379	0.838	0.088	-0.148	-0.469	0.209	0.141	0.113	-0.103	203.968	16.674	-1.918	-0.302	-2.82	-0.097	2.69	-0.363	-1.151	0.396	0.139	0.783	-0.594	-0.396	0.803	0.423	-0.004	-0.73	-0.277	0.901	-0.126	-0.06	-0.483	-0.09	0.538	-0.14	-0.147	-0.2	0.221	0.162	-0.099	-0.144	435.471	26.973	-2.215	0.223	-4.182	-3.168	4.395	0.117	-1.004	0.06	0.32	0.404	-0.356	-0.005	0.86	0.755	-0.329	-1.192	-0.457	1.521	-0.076	0.174	-0.888	-0.491	0.954	0.176	-0.137	-0.585	0.241	0.099	0.188	-0.057	1084.244	80.85	-8.444	-0.65	-14.016	-2.465	14.642	-1.602	-5.948	1.102	-0.199	4.816	-2.578	-2.87	3.581	1.746	0.509	-2.96	-2.846	4.613	0.324	-0.16	-2.066	-1.501	2.473	0.67	-0.909	-1.671	0.873	0.953	0.029	-0.558
ZINC03815227	351	23.621	-1.738	-0.269	-3.69	-2.574	4.426	0.045	-1.315	0.135	0.496	0.13	-0.623	0.079	0.703	0.314	-0.179	-1.054	-0.22	1.434	-0.256	0.07	-0.979	-0.114	0.859	-0.018	-0.125	-0.35	0.184	0.014	0.154	-0.068	283.012	20.057	-3.213	1.218	-3.79	0.752	3.127	-0.26	-2.083	0.83	-0.126	1.691	-1.278	-0.589	0.798	-0.07	0.661	-0.907	-0.743	1.203	-0.347	-0.14	-0.333	-0.126	0.723	0.015	-0.15	-0.505	0.51	0.218	-0.114	-0.322	185.08	16.897	-1.887	-0.258	-2.977	0.03	3.033	-0.661	-1.416	0.338	0.33	0.915	-0.852	-0.506	0.952	0.034	0.22	-0.785	-0.338	0.952	-0.217	-0.079	-0.521	0.078	0.569	-0.102	-0.177	-0.197	0.256	0.133	-0.132	-0.179	358.425	24.214	-2.028	-0.142	-3.933	-2.356	4.539	-0.025	-1.465	0.158	0.491	0.338	-0.714	-0.048	0.795	0.294	-0.059	-1.053	-0.359	1.52	-0.251	0.072	-0.968	-0.152	0.871	0.01	-0.148	-0.37	0.198	0.049	0.131	-0.105	203.968	17.14	-1.85	-0.204	-2.805	-0.418	2.956	-0.396	-1.362	0.365	0.335	0.67	-0.754	-0.283	0.782	0.094	0.076	-0.78	-0.249	0.954	-0.251	-0.081	-0.55	0.078	0.584	-0.101	-0.141	-0.209	0.252	0.092	-0.085	-0.142	435.471	26.844	-2.281	0.098	-4.367	-3.362	5.19	0.179	-1.376	0.066	0.552	0.053	-0.685	0.172	0.72	0.393	-0.17	-1.192	-0.333	1.743	-0.264	0.155	-1.126	-0.242	0.97	0.047	-0.135	-0.439	0.201	-0.007	0.218	-0.051	1084.244	81.026	-7.814	0.088	-15.001	-2.795	15.422	-1.781	-6.432	1.044	1.003	4.212	-3.537	-2.23	4.215	0.289	1.418	-3.469	-2.538	5.403	-0.812	0.077	-2.852	-0.601	2.877	0.155	-0.811	-1.296	0.834	0.619	0.055	-0.875
ZINC03815274	435	27.055	-1.396	1.255	-4.231	-3.538	4.211	-0.301	-0.625	-0.043	0.16	-0.044	-0.638	0.015	0.841	0.418	-0.443	-1.449	-0.032	1.39	-0.348	0.172	-0.953	-0.444	1.174	-0.19	-0.049	-0.095	-0.018	0.045	-0.102	-0.099	183.793	17.873	-1.962	-0.451	-3.615	0.953	3.685	-1.374	-1.575	0.635	-0.028	1.561	-1.088	-1.21	1.371	0.032	0.473	-0.878	-0.48	0.981	-0.155	-0.081	-0.566	-0.025	0.709	-0.253	-0.233	-0.047	0.126	0.375	-0.273	-0.184	195.309	17.858	-1.595	-0.211	-3.234	0.09	3.21	-0.951	-1.209	0.365	0.179	0.873	-0.911	-0.714	1.069	0.123	0.155	-0.942	-0.196	0.902	-0.235	-0.066	-0.593	0.01	0.699	-0.3	-0.186	0.01	0.102	0.249	-0.255	-0.135	433.237	27.448	-1.445	1.325	-4.492	-3.329	4.365	-0.344	-0.727	0.008	0.133	0.131	-0.707	-0.136	0.96	0.415	-0.352	-1.403	-0.174	1.424	-0.283	0.154	-0.923	-0.492	1.167	-0.158	-0.066	-0.106	-0.021	0.094	-0.119	-0.127	213.288	18.402	-1.446	-0.103	-3.104	-0.446	3.124	-0.762	-1.059	0.251	0.239	0.587	-0.815	-0.498	0.943	0.17	0.006	-0.996	-0.077	0.908	-0.275	-0.048	-0.635	0.005	0.732	-0.312	-0.163	0.019	0.085	0.189	-0.225	-0.118	547.214	31.33	-1.703	2.329	-5.123	-4.809	4.818	-0.235	-0.393	-0.107	0.085	-0.178	-0.67	0.141	0.923	0.51	-0.568	-1.635	-0.137	1.643	-0.329	0.271	-1.033	-0.713	1.35	-0.094	-0.009	-0.135	-0.038	0.005	-0.12	-0.083	1240.953	89.312	-4.936	2.58	-16.753	-5.606	16.347	-2.498	-4.278	1.365	-0.634	3.753	-3.151	-2.99	5.064	0.942	0.554	-3.879	-2.209	4.953	-0.291	0.1	-2.67	-1.59	3.555	-0.324	-0.587	-0.268	-0.015	1.036	-0.565	-0.809
ZINC00151214	378	23.894	-1.589	-0.178	-3.624	-2.749	4.111	-0.128	-0.875	0.112	0.331	0.035	-0.522	-0.023	0.597	0.437	-0.591	-1.273	0.11	1.208	-0.474	0.184	-0.93	-0.268	1.124	-0.205	-0.1	-0.21	0.006	0.073	-0.002	-0.086	352.9	15.892	-5.301	-1.031	-3.1	0.693	4.322	-0.245	-2.255	0.83	-0.015	0.048	-1.169	-0.101	0.782	0.262	0.309	-0.823	-0.514	1.025	-0.792	0.097	-0.579	0.711	0.559	-0.265	-0.488	0.449	-0.306	0.531	-0.207	0.083	200.426	16.806	-1.996	-0.381	-2.945	0.208	3.107	-0.786	-1.294	0.394	0.251	0.667	-0.866	-0.535	0.885	0.154	0.076	-0.894	-0.128	0.876	-0.324	-0.041	-0.584	0.149	0.652	-0.324	-0.216	0.068	0.06	0.274	-0.244	-0.089	375.489	24.088	-1.823	-0.108	-3.83	-2.506	4.236	-0.209	-1.005	0.126	0.313	0.184	-0.598	-0.156	0.686	0.414	-0.503	-1.237	-0.018	1.238	-0.424	0.156	-0.894	-0.293	1.117	-0.182	-0.122	-0.223	0.001	0.126	-0.02	-0.105	245.209	17.102	-2.106	-0.424	-2.695	-0.38	3.112	-0.479	-1.266	0.376	0.314	0.292	-0.738	-0.221	0.693	0.225	-0.06	-0.915	-0.013	0.923	-0.442	0.006	-0.643	0.233	0.679	-0.341	-0.23	0.136	-0.006	0.24	-0.195	-0.062	459.452	26.806	-2.056	0.265	-4.312	-3.652	4.704	-0.07	-0.793	0.05	0.343	-0.02	-0.538	0.03	0.579	0.498	-0.759	-1.41	0.048	1.361	-0.502	0.264	-1.005	-0.482	1.292	-0.099	-0.097	-0.334	0.014	0.044	0.027	-0.076	1057.999	76.797	-7.624	-0.671	-13.882	-2.685	14.785	-2.306	-5.056	1.087	0.321	3.077	-3.049	-2.467	3.614	0.753	-0.151	-3.504	-1.434	4.24	-0.904	-0.011	-2.506	-0.634	3.213	-0.538	-0.764	-0.58	-0.039	1.122	-0.388	-0.536
ZINC03815386	351	21.792	-1.347	0.068	-3.48	-2.914	4.543	-0.592	-0.987	0.016	0.663	-0.014	-0.577	0.059	0.662	0.467	-0.454	-1.251	0.365	1.629	-0.446	0.196	-0.978	-0.073	1.305	-0.333	-0.038	-0.327	0.095	0.136	0.058	-0.122	282.966	17.914	-3.939	-0.202	-4.267	1.268	2.513	-1.246	-1.975	1.015	-0.281	1.465	-1.129	-0.398	1.105	0.127	0.348	-0.767	-0.605	1.416	-0.283	-0.069	-0.319	-0.055	0.826	-0.279	0.064	-0.272	0.41	0.235	-0.311	-0.479	188.834	16.347	-1.906	-0.282	-3.056	0.025	3.003	-0.978	-1.134	0.4	0.372	0.709	-0.91	-0.539	1.074	0.089	0.125	-0.846	-0.051	1.181	-0.238	-0.03	-0.523	0.123	0.762	-0.372	-0.155	-0.037	0.154	0.239	-0.262	-0.191	358.589	22.053	-1.802	0.059	-3.749	-2.671	4.679	-0.746	-1.113	0.075	0.611	0.201	-0.665	-0.077	0.768	0.398	-0.365	-1.216	0.203	1.691	-0.421	0.175	-0.946	-0.106	1.32	-0.308	-0.071	-0.328	0.095	0.196	0.034	-0.161	208.001	16.76	-1.704	-0.232	-2.941	-0.44	2.866	-0.75	-1.11	0.362	0.396	0.479	-0.816	-0.293	0.904	0.215	-0.018	-0.859	0.068	1.197	-0.29	-0.004	-0.559	0.122	0.783	-0.375	-0.105	-0.078	0.162	0.169	-0.205	-0.167	424.785	23.769	-1.71	0.437	-3.925	-3.782	5.275	-0.66	-0.998	-0.087	0.769	-0.054	-0.565	0.176	0.55	0.531	-0.572	-1.386	0.385	1.836	-0.52	0.271	-1.101	-0.161	1.51	-0.277	-0.014	-0.461	0.109	0.136	0.146	-0.112	1083.744	73.036	-8.772	-0.584	-14.346	-3.924	15.717	-4.241	-4.681	1.4	0.73	3.527	-3.337	-2.31	4.416	0.161	0.262	-3.445	-1.196	5.832	-0.911	0.191	-2.577	-0.485	4.026	-0.864	-0.611	-0.762	0.331	1.236	-0.289	-0.983
ZINC00118581	378	24.313	-1.725	-0.072	-4.07	-2.342	3.736	-0.101	-0.795	0.136	0.356	0.16	-0.486	-0.175	0.643	0.349	-0.484	-1.294	0.081	1.226	-0.442	0.184	-0.943	-0.378	1.136	-0.192	-0.046	-0.252	0.025	0.055	0.018	-0.06	213.246	17.843	-2.724	-0.534	-3.96	2.24	2.651	-1.434	-1.283	0.512	0.303	1.392	-0.973	-1.163	1.021	-0.032	0.53	-0.785	-0.547	1.082	-0.234	-0.034	-0.495	-0.053	0.756	-0.34	-0.147	-0.076	0.134	0.25	-0.191	-0.083	191.174	17.32	-1.869	-0.399	-3.276	0.69	2.737	-0.916	-1.1	0.357	0.308	0.835	-0.83	-0.699	0.922	0.096	0.149	-0.886	-0.167	0.912	-0.269	-0.05	-0.562	0.024	0.7	-0.345	-0.15	-0.015	0.117	0.216	-0.218	-0.093	382.337	24.512	-2.057	0.005	-4.337	-1.988	3.766	-0.178	-0.925	0.158	0.357	0.325	-0.544	-0.327	0.717	0.312	-0.365	-1.254	-0.055	1.268	-0.396	0.16	-0.909	-0.413	1.135	-0.17	-0.06	-0.265	0.015	0.101	0.009	-0.071	209.758	17.876	-1.72	-0.431	-3.204	0.236	2.651	-0.692	-0.965	0.301	0.348	0.599	-0.716	-0.523	0.826	0.137	0.022	-0.929	-0.053	0.927	-0.317	-0.026	-0.61	0.013	0.742	-0.356	-0.123	-0.017	0.1	0.16	-0.171	-0.08	466.142	27.166	-2.327	0.424	-4.838	-3.178	4.246	-0.001	-0.748	0.097	0.376	0.122	-0.487	-0.144	0.621	0.387	-0.613	-1.437	0.019	1.379	-0.474	0.269	-1.031	-0.602	1.297	-0.075	-0.038	-0.369	0.021	0.033	0.05	-0.036	1147.267	78.511	-9.313	-0.184	-16.129	0.436	12.384	-2.416	-4.758	1.047	0.87	3.728	-2.654	-3.206	3.446	0.307	0.547	-3.374	-1.713	4.542	-0.871	0.107	-2.503	-1.185	3.471	-0.588	-0.443	-0.805	0.067	0.871	-0.157	-0.369
ZINC03815055	435	25.721	-1.581	0.754	-4.117	-2.985	4.013	-0.139	-0.784	0.045	0.29	0.012	-0.65	-0.072	0.876	0.458	-0.365	-1.406	-0.188	1.374	-0.328	0.14	-0.865	-0.388	1.049	-0.202	-0.13	-0.007	-0.044	0.079	-0.139	-0.087	389.149	15.698	-5.791	-1.21	-3.078	0.736	4.645	-0.408	-2.43	0.993	-0.009	0.339	-1.196	-0.321	0.918	0.288	0.487	-0.807	-0.625	1.065	-0.807	0.131	-0.57	0.701	0.606	-0.292	-0.539	0.464	-0.292	0.559	-0.222	0.03	221.552	17.289	-2.081	-0.289	-3.143	0.154	3.243	-0.842	-1.327	0.446	0.215	0.758	-0.918	-0.617	1.007	0.148	0.177	-0.927	-0.229	0.926	-0.304	-0.039	-0.586	0.111	0.657	-0.31	-0.237	0.101	0.052	0.284	-0.27	-0.102	435.24	26.195	-1.713	0.821	-4.38	-2.787	4.195	-0.198	-0.88	0.091	0.248	0.175	-0.722	-0.213	0.992	0.458	-0.278	-1.367	-0.319	1.412	-0.271	0.125	-0.84	-0.431	1.051	-0.171	-0.143	-0.023	-0.047	0.128	-0.158	-0.11	268.299	17.425	-2.291	-0.258	-2.929	-0.412	3.174	-0.539	-1.288	0.395	0.326	0.361	-0.804	-0.298	0.79	0.212	0.045	-0.963	-0.128	0.962	-0.406	0.005	-0.627	0.199	0.666	-0.329	-0.264	0.182	-0.018	0.249	-0.237	-0.071	538.149	29.912	-1.802	1.575	-4.98	-4.074	4.567	-0.007	-0.593	-0.02	0.245	-0.087	-0.677	-0.004	0.987	0.572	-0.482	-1.585	-0.349	1.616	-0.284	0.216	-0.921	-0.668	1.196	-0.106	-0.106	-0.043	-0.063	0.038	-0.161	-0.077	1280.117	84.705	-6.842	1.539	-16.184	-4.342	16.015	-2.192	-4.475	1.535	-0.482	3.699	-3.236	-2.961	5.015	1.062	0.69	-3.702	-2.486	4.866	-0.385	0.104	-2.444	-1.297	3.23	-0.315	-0.768	-0.061	-0.124	1.133	-0.684	-0.671
ZINC03815319	990	43.193	-9.832	8.936	-7.192	-3.107	2.126	2.103	0.981	-0.29	-0.205	-4.199	0.87	3.146	0	-0.162	-1.402	-1.502	1.343	1.452	-0.899	0.176	-0.464	-0.706	0.598	0.401	0.234	-0.14	-0.937	-0.119	0.445	0.278	433	15.678	-7.545	0.099	-3.717	0.289	2.416	-1.068	-2.382	2.958	-0.226	-0.757	-1.525	2.701	0.518	0.322	-0.94	0.04	0.832	-0.058	-0.772	0.473	-0.396	0.442	0.053	-0.375	0.099	0.52	-0.349	-0.105	0.124	0.47	307.902	19.791	-4.507	1.449	-2.936	0.579	1.386	-0.596	-0.457	0.883	0.153	-1.391	-0.596	1.676	0.268	-0.326	-0.597	-0.357	0.892	0.032	-0.524	0.26	-0.103	-0.141	-0.028	0.047	0.237	-0.055	-0.252	-0.134	0.302	0.105	959.237	43.259	-9.961	8.663	-7.329	-2.894	2.218	1.902	0.822	-0.137	-0.011	-4.242	0.663	3.105	0.173	-0.216	-1.389	-1.487	1.309	1.428	-0.915	0.216	-0.364	-0.717	0.533	0.331	0.273	-0.078	-0.867	-0.211	0.386	0.333	408.348	21.567	-5.35	2.324	-3.099	-0.313	1.465	0.016	-0.486	0.78	0.103	-1.82	-0.245	1.991	0.13	-0.201	-0.714	-0.403	0.995	0.188	-0.532	0.287	-0.276	-0.192	0.15	0.101	0.183	-0.066	-0.383	-0.074	0.363	0.117	1310.495	53.011	-13.175	12.779	-9.626	-4.222	2.412	2.743	1.589	-0.553	-0.319	-5.339	1.177	3.716	0.03	-0.038	-1.722	-1.994	1.328	2.103	-1.073	0.167	-0.422	-0.98	0.74	0.452	0.307	-0.073	-1.149	-0.199	0.336	0.435	1788.425	87.181	-21.892	16.277	-16.249	-4.716	6.022	1.73	0.715	1.725	0.371	-8.097	-0.669	6.189	1.731	-1.025	-2.79	-2.785	2.305	2.68	-1.908	0.808	-0.03	-1.531	0.655	-0.039	0.868	0.424	-1.329	-1.2	0.336	1.107
ZINC03815146	406	24.392	-1.713	0.622	-4.052	-2.495	3.796	-0.209	-1.023	0.258	0.153	0.384	-0.701	-0.198	0.924	0.566	-0.405	-1.221	-0.087	1.213	-0.324	0.138	-0.833	-0.404	1.045	-0.235	-0.123	-0.233	0.079	0.127	-0.102	-0.204	314.422	17.009	-4.446	-0.855	-3.685	1.935	3.179	-0.493	-2.14	0.922	-0.534	1.946	-1.072	-0.719	1.369	0.466	0.4	-1.016	-0.6	1.185	-0.075	-0.126	-0.388	-0.434	0.626	-0.338	-0.173	-0.427	0.39	0.243	-0.37	-0.346	209.349	17.242	-2.049	-0.318	-3.23	0.461	2.968	-0.823	-1.328	0.506	0.089	1.032	-0.923	-0.672	1.085	0.214	0.156	-0.919	-0.201	0.916	-0.232	-0.068	-0.543	-0.036	0.667	-0.344	-0.172	-0.08	0.159	0.254	-0.292	-0.17	417.049	25.038	-1.974	0.718	-4.354	-2.274	3.976	-0.268	-1.141	0.331	0.115	0.576	-0.783	-0.346	1.052	0.595	-0.3	-1.193	-0.258	1.276	-0.278	0.142	-0.802	-0.46	1.065	-0.224	-0.153	-0.256	0.092	0.2	-0.137	-0.245	229.222	17.435	-1.982	-0.258	-3.093	0.048	2.742	-0.551	-1.23	0.444	0.113	0.802	-0.83	-0.427	0.938	0.299	-0.003	-0.943	-0.089	0.905	-0.267	-0.059	-0.572	-0.052	0.663	-0.343	-0.144	-0.101	0.157	0.178	-0.254	-0.156	500.564	27.586	-2.133	1.406	-4.757	-3.41	4.332	-0.129	-0.966	0.224	0.144	0.364	-0.737	-0.161	0.971	0.689	-0.525	-1.322	-0.213	1.377	-0.312	0.211	-0.882	-0.631	1.19	-0.141	-0.155	-0.32	0.092	0.129	-0.096	-0.235	1354.552	84.02	-8.964	1.95	-16.498	-2.859	15.782	-2.623	-5.27	2.676	-0.957	5.429	-3.45	-3.627	5.613	1.664	1.142	-3.424	-2.718	4.912	-0.496	0.409	-2.243	-1.723	3.739	-0.826	-0.889	-0.891	0.45	1.649	-0.862	-1.317
ZINC03815314	990	43.496	-10.776	10.052	-8.321	-2.965	1.688	1.732	1.498	-0.016	-0.277	-3.579	-0.14	3.108	0.171	-0.301	-1.17	-1.649	1.47	1.359	-0.898	0.212	-0.553	-0.462	0.087	0.649	0.357	0.102	-1.162	-0.291	0.93	0.052	350.743	11.015	-4.866	1.025	-3.83	3.29	0.469	-0.74	-1.234	1.298	-0.07	-0.348	-1.811	0.97	0.291	-0.734	-0.325	-0.59	1.058	-0.283	-0.431	0.161	0.177	-0.089	-0.184	0.273	0.341	0.318	-0.272	0.037	-0.001	0.316	301.009	19.026	-4.079	1.383	-3.193	0.908	1.065	-0.584	-0.259	0.722	0.124	-1.252	-0.757	1.262	0.303	-0.503	-0.566	-0.498	0.948	-0.047	-0.4	0.201	-0.032	-0.149	-0.137	0.229	0.24	0.054	-0.331	-0.101	0.399	0.088	966.163	43.212	-10.571	9.633	-8.315	-2.713	1.748	1.548	1.303	0.18	-0.086	-3.604	-0.307	3.041	0.303	-0.338	-1.221	-1.655	1.423	1.348	-0.91	0.243	-0.486	-0.48	0.038	0.591	0.395	0.161	-1.098	-0.363	0.858	0.134	374.341	20.886	-4.661	2.343	-3.588	0.184	0.948	0.046	-0.068	0.527	0.059	-1.546	-0.555	1.518	0.184	-0.512	-0.628	-0.625	1.059	0.078	-0.406	0.201	-0.143	-0.196	-0.045	0.351	0.226	0.005	-0.439	-0.052	0.5	0.043	1316.648	53.433	-14.339	14.359	-11.044	-4.029	1.872	2.168	2.313	-0.083	-0.417	-4.456	-0.266	3.827	0.23	-0.151	-1.375	-2.171	1.494	2.028	-1.168	0.283	-0.611	-0.66	0.036	0.779	0.512	0.212	-1.453	-0.49	1.003	0.109	1825.28	85.574	-18.705	15.849	-17.071	-3.531	4.423	1.28	1.391	2.583	0.362	-7.141	-2.095	5.434	1.848	-1.15	-2.921	-3.446	2.462	2.683	-1.863	0.587	-0.482	-1.015	-0.456	0.701	1.093	0.839	-1.687	-1.359	1.165	0.875
ZINC03815398	990	45.89	-10.715	8.311	-7.764	-2.513	2.062	0.907	1.849	-0.139	0.214	-3.191	0.05	2.948	-0.133	-0.191	-1.092	-1.557	1.345	1.379	-0.329	-0.281	-0.355	-0.378	-0.029	0.955	0.063	0.081	-1.323	0.035	0.881	0.171	244.16	19.463	-3.592	-0.46	-3.507	2.579	1.758	-2.229	-0.751	1.406	0.047	-0.245	-1.228	0.768	0.731	-0.604	-0.421	-0.109	0.681	-0.066	-0.418	0.15	0.246	-0.13	-0.275	0.08	0.247	0.016	-0.165	-0.214	0.283	0.13	285.836	21.1	-3.868	0.822	-3.286	1.292	1.328	-1.052	-0.185	0.764	0.269	-1.071	-0.69	1.31	0.337	-0.541	-0.499	-0.355	0.894	0	-0.345	0.135	0.026	-0.157	-0.15	0.31	0.193	-0.073	-0.317	-0.103	0.408	0.064	978.439	46.776	-10.583	8.145	-8.046	-2.24	2.137	0.646	1.689	-0.105	0.434	-3.162	-0.144	2.819	0.053	-0.207	-1.083	-1.546	1.219	1.371	-0.307	-0.255	-0.293	-0.415	-0.061	0.881	0.081	0.132	-1.248	-0.06	0.835	0.198	337.523	22.971	-4.298	1.593	-3.397	0.594	1.272	-0.503	0.092	0.533	0.271	-1.459	-0.43	1.585	0.173	-0.527	-0.566	-0.499	1.029	0.098	-0.335	0.102	-0.09	-0.165	-0.08	0.429	0.158	-0.102	-0.437	-0.043	0.496	0.04	1341.976	57.057	-14.555	12.263	-10.348	-3.693	2.379	1.084	2.878	-0.434	0.289	-3.901	0.058	3.523	-0.2	0.068	-1.305	-2.044	1.259	2.042	-0.289	-0.464	-0.329	-0.567	-0.133	1.149	0.061	0.247	-1.705	-0.007	0.964	0.275	2132.404	107.152	-19.549	16.296	-20.915	-2.532	6.215	-2.049	2.295	0.319	1.471	-5.082	-2.008	3.579	2.045	-0.551	-2.223	-2.49	0.586	2.829	0.132	-0.558	0.015	-1.407	-0.311	1.273	0.047	0.709	-2.134	-0.856	1.532	0.392
ZINC00104782	496	29.19	-1.982	0.968	-4.948	-2.966	3.937	-0.194	-0.717	-0.3	0.093	0.065	-0.495	-0.19	1.022	0.257	-0.568	-1.585	0.211	1.704	-0.44	0.054	-0.979	-0.331	1.224	0.017	-0.081	-0.291	0.015	0.185	0.187	-0.081	208.453	18.976	-2.077	-0.24	-3.965	1.262	3.626	-1.553	-1.638	0.461	0.021	1.481	-1.196	-1.252	1.516	0.041	0.414	-0.991	-0.409	1.104	-0.122	-0.099	-0.579	-0.022	0.792	-0.302	-0.25	0.014	0.166	0.458	-0.339	-0.173	220.19	18.479	-1.671	-0.004	-3.576	0.38	3.096	-0.985	-1.202	0.25	0.165	0.851	-0.91	-0.741	1.202	0.075	0.112	-1.01	-0.082	1.015	-0.234	-0.075	-0.613	0.019	0.752	-0.291	-0.185	0.015	0.108	0.315	-0.225	-0.107	497.459	29.907	-2.369	1.033	-5.142	-2.735	4.161	-0.287	-0.939	-0.308	0.158	0.2	-0.613	-0.33	1.136	0.254	-0.454	-1.577	0.056	1.774	-0.389	0.032	-0.943	-0.359	1.241	0.046	-0.116	-0.3	0.05	0.247	0.134	-0.105	239.037	18.811	-1.42	0.099	-3.491	-0.16	2.949	-0.73	-0.991	0.164	0.173	0.583	-0.762	-0.526	1.08	0.097	-0.05	-1.047	0.063	1.018	-0.282	-0.059	-0.664	0.014	0.772	-0.276	-0.152	-0.005	0.072	0.252	-0.145	-0.084	619.906	33.907	-2.896	1.779	-5.783	-4.054	4.457	-0.14	-0.645	-0.471	0.065	0.006	-0.49	-0.15	1.057	0.297	-0.711	-1.808	0.147	2.028	-0.486	0.093	-1.034	-0.517	1.4	0.201	-0.084	-0.42	0.041	0.185	0.272	-0.083	1370.536	93.805	-8.305	2.209	-17.831	-2.967	15.323	-3.053	-5.281	0.051	0.203	3.364	-3.461	-3.219	5.351	0.429	0.088	-4.585	-1.355	5.857	-0.584	-0.264	-2.722	-0.99	3.911	-0.108	-0.826	-0.678	0.34	1.551	-0.31	-0.659
ZINC03815197	351	22.409	-1.866	0.495	-3.768	-1.886	3.86	-0.111	-1.272	0.079	0.406	0.793	-0.519	-0.424	0.826	0.477	-0.146	-1.014	-0.291	1.301	-0.14	-0.069	-0.774	-0.248	0.977	0.009	-0.114	-0.394	0.109	0.24	0.106	-0.173	320.447	19.431	-3.594	1.087	-3.729	1.622	3.387	-0.498	-2.611	1.018	-0.433	2.394	-1.17	-1.002	0.736	0.107	0.446	-0.826	-0.799	1.189	0.179	-0.256	-0.443	-0.241	0.706	0.121	-0.104	-0.451	0.503	0.359	-0.122	-0.317	192.527	16.78	-1.879	-0.032	-3.038	0.45	3.031	-0.76	-1.453	0.456	0.14	1.168	-0.834	-0.797	0.932	0.209	0.172	-0.75	-0.343	0.915	-0.089	-0.136	-0.481	0.012	0.657	-0.141	-0.184	-0.172	0.265	0.248	-0.142	-0.157	371.932	23.415	-2.255	0.602	-4.069	-1.747	4.191	-0.234	-1.477	0.152	0.307	1.068	-0.581	-0.597	0.929	0.5	-0.048	-0.997	-0.462	1.381	-0.064	-0.111	-0.757	-0.306	0.995	0.087	-0.155	-0.44	0.136	0.302	0.086	-0.206	202.701	16.562	-1.791	0.192	-2.878	0.159	2.76	-0.504	-1.362	0.397	0.213	0.952	-0.762	-0.557	0.773	0.248	0.034	-0.765	-0.233	0.913	-0.145	-0.113	-0.502	0.031	0.65	-0.161	-0.133	-0.182	0.257	0.198	-0.106	-0.135	445.279	25.677	-2.562	1.049	-4.501	-2.684	4.565	-0.044	-1.359	-0.011	0.453	0.96	-0.485	-0.479	0.912	0.596	-0.136	-1.09	-0.487	1.547	-0.08	-0.1	-0.839	-0.447	1.118	0.17	-0.132	-0.537	0.084	0.307	0.154	-0.213	1392.802	84.741	-12.379	2.144	-15.388	-3.926	19.008	-3.415	-7.397	2.469	-1.9	8.079	-2.552	-4.908	4.964	1.641	1.429	-2.787	-3.555	5.12	1.065	-1.286	-2.102	-1.232	3.28	1.324	-1.388	-1.611	1.082	1.543	0.179	-0.972
ZINC03815196	465	30.313	-1.311	-0.347	-4.461	-2.782	4.368	0.698	-1.089	0.076	0.037	0.2	-0.392	-0.067	1.228	0.277	0.235	-1.312	-0.154	1.559	-0.109	-0.173	-0.851	-0.233	0.819	0.342	-0.263	-0.455	0.116	0.029	0.225	0.04	210.048	19.924	-2.041	-0.864	-3.972	0.292	4.105	-1.225	-1.878	0.218	0.193	1.687	-1.04	-1.258	1.354	0.139	0.569	-0.778	-0.709	0.975	0.077	-0.085	-0.6	-0.019	0.563	0.015	-0.222	-0.274	0.207	0.143	-0.069	-0.184	205.787	18.273	-1.3	-0.752	-3.275	-0.247	3.366	-0.646	-1.351	0.144	0.28	0.941	-0.77	-0.697	1.034	0.168	0.301	-0.759	-0.333	0.849	0.035	-0.116	-0.573	0.056	0.558	0.007	-0.205	-0.225	0.151	0.093	-0.07	-0.102	472.785	31.423	-1.529	-0.293	-4.768	-2.673	4.678	0.613	-1.307	0.102	0.073	0.382	-0.484	-0.208	1.352	0.26	0.351	-1.316	-0.327	1.641	-0.076	-0.172	-0.842	-0.294	0.829	0.364	-0.285	-0.458	0.144	0.036	0.222	0.02	218.696	18.359	-1.059	-0.725	-3.06	-0.618	3.186	-0.386	-1.15	0.127	0.258	0.649	-0.638	-0.479	0.944	0.172	0.184	-0.775	-0.185	0.842	0.009	-0.129	-0.593	0.077	0.576	0.022	-0.195	-0.228	0.128	0.068	-0.042	-0.069	600.519	36.861	-2.108	0.189	-5.394	-3.752	5.099	1.136	-1.195	0.146	-0.071	0.143	-0.351	0.021	1.485	0.3	0.414	-1.595	-0.285	1.989	-0.174	-0.2	-0.904	-0.454	0.882	0.525	-0.326	-0.557	0.172	0.004	0.315	0.096	1369.036	102.466	-6.746	-1.38	-17.644	-4.773	17.92	-0.71	-6.788	0.831	0.114	4.351	-2.824	-3.047	5.871	0.315	2.243	-3.876	-2.754	5.482	0.015	-0.449	-2.827	-0.948	2.749	0.89	-0.978	-1.381	0.687	0.27	0.537	-0.356
ZINC03815276	435	24.468	-2.303	-0.452	-4.046	-2.518	3.818	0.257	-1.337	0.194	0.308	0.169	-0.804	0.086	0.875	0.532	-0.154	-1.253	0.016	1.512	-0.056	0.222	-1.243	-0.06	0.751	-0.178	-0.027	-0.149	0.096	-0.037	0.017	-0.041	312.481	17.156	-4.403	-0.934	-3.692	1.967	3.057	-0.286	-2.323	0.359	-0.385	1.757	-1.186	-0.27	0.96	0.376	0.225	-0.872	-0.352	1.302	-0.151	0.004	-0.345	-0.228	0.451	-0.251	-0.143	-0.425	0.511	0.136	-0.417	-0.283	215.741	16.774	-2.03	-0.494	-3.269	0.479	2.905	-0.713	-1.502	0.29	0.146	0.917	-0.999	-0.502	0.916	0.26	0.117	-0.877	-0.054	1.032	-0.189	-0.064	-0.574	0.072	0.497	-0.245	-0.131	-0.095	0.195	0.143	-0.278	-0.12	439.88	24.69	-2.526	-0.373	-4.326	-2.244	3.949	0.21	-1.464	0.231	0.241	0.342	-0.871	0.007	0.949	0.542	-0.103	-1.246	-0.128	1.57	-0.014	0.227	-1.219	-0.105	0.733	-0.13	-0.026	-0.163	0.111	-0.013	0.003	-0.07	241.264	17.247	-2.021	-0.528	-3.125	-0.012	2.755	-0.449	-1.414	0.243	0.17	0.715	-0.94	-0.282	0.817	0.329	0.021	-0.888	0.041	1.058	-0.219	-0.049	-0.633	0.081	0.518	-0.27	-0.121	-0.102	0.192	0.091	-0.247	-0.105	542.075	28.055	-3.04	-0.096	-4.861	-3.422	4.378	0.544	-1.356	0.256	0.339	0.047	-0.823	0.224	0.967	0.612	-0.174	-1.433	-0.131	1.757	0.082	0.38	-1.506	-0.171	0.813	-0.088	0.011	-0.191	0.105	-0.1	0.095	-0.017	1311.302	76.337	-8.841	-0.749	-16.403	-1.589	14.174	-1.002	-6.156	1.435	-0.713	3.939	-3.626	-1.642	4.253	1.461	0.512	-3.811	-1.799	5.425	0.231	0.523	-3.21	-0.656	2.005	0.132	-0.234	-0.567	0.538	0.394	-0.308	-0.658
ZINC03815251	496	29.753	-1.766	0.292	-4.636	-2.884	4.168	0.187	-0.605	-0.064	0.003	0.074	-0.456	-0.06	1.054	0.162	-0.432	-1.496	0.234	1.614	-0.532	0.047	-0.949	-0.27	1.288	0.034	-0.059	-0.38	-0.118	0.062	0.127	-0.117	208.453	19.224	-2.072	-0.47	-3.845	1.245	3.686	-1.498	-1.59	0.63	-0.049	1.51	-1.23	-1.292	1.505	0.029	0.432	-0.987	-0.395	1.059	-0.174	-0.085	-0.574	0.014	0.779	-0.27	-0.267	-0.078	0.132	0.387	-0.303	-0.173	220.19	18.828	-1.539	-0.239	-3.476	0.329	3.167	-0.905	-1.169	0.374	0.109	0.885	-0.923	-0.757	1.197	0.042	0.13	-1.011	-0.094	0.97	-0.255	-0.073	-0.615	0.054	0.761	-0.263	-0.199	-0.048	0.086	0.26	-0.225	-0.115	497.459	30.657	-2.069	0.383	-4.865	-2.697	4.407	0.094	-0.829	-0.046	0.039	0.22	-0.578	-0.209	1.168	0.161	-0.314	-1.486	0.096	1.682	-0.491	0.027	-0.913	-0.298	1.29	0.062	-0.096	-0.407	-0.089	0.112	0.086	-0.134	239.037	19.154	-1.293	-0.194	-3.382	-0.192	3.034	-0.636	-0.968	0.272	0.129	0.617	-0.77	-0.528	1.081	0.057	-0.025	-1.042	0.04	0.97	-0.294	-0.059	-0.665	0.053	0.795	-0.248	-0.161	-0.055	0.046	0.198	-0.161	-0.095	619.906	34.631	-2.572	0.894	-5.411	-3.936	4.775	0.387	-0.487	-0.185	-0.053	-0.019	-0.429	0.045	1.107	0.19	-0.513	-1.677	0.209	1.913	-0.624	0.076	-0.985	-0.459	1.469	0.209	-0.044	-0.537	-0.156	0.024	0.196	-0.133	1370.536	97.742	-7.41	0.286	-17.346	-3.153	16.23	-2.078	-5.171	0.875	-0.314	3.497	-3.499	-3.032	5.401	0.273	0.508	-4.358	-1.145	5.578	-0.993	-0.26	-2.671	-0.749	3.916	-0.044	-0.827	-1.154	0.002	1.064	-0.313	-0.648
ZINC03815264	325	22.041	-1.877	0.006	-3.658	-1.532	4.274	-0.142	-1.256	0.193	0.573	0.472	-0.496	-0.323	0.704	0.377	0.013	-0.858	-0.56	1.316	-0.046	-0.114	-0.785	-0.21	0.675	0.12	-0.152	-0.355	0.113	-0.119	0.167	-0.118	356.807	23.402	-5.494	1.911	-4.004	1.012	3.426	-0.465	-1.811	0.932	0.106	1.563	-0.837	-0.817	0.473	0.409	0.445	-0.734	-1.017	0.921	0.102	-0.452	-0.243	-0.079	0.39	0.15	-0.126	-0.6	0.382	0.038	0.039	-0.355	191.162	16.627	-2.107	-0.175	-2.927	0.328	3.016	-0.656	-1.299	0.292	0.404	0.953	-0.671	-0.625	0.767	0.219	0.241	-0.651	-0.498	0.807	-0.03	-0.175	-0.458	0.032	0.426	0.005	-0.162	-0.263	0.197	0.035	-0.041	-0.194	345.943	23.226	-2.342	0.204	-4.032	-1.298	4.462	-0.228	-1.356	0.211	0.618	0.662	-0.568	-0.451	0.758	0.401	0.104	-0.872	-0.722	1.397	-0.024	-0.132	-0.769	-0.255	0.67	0.149	-0.177	-0.375	0.108	-0.11	0.18	-0.16	205.767	16.388	-2.067	-0.116	-2.685	0.006	2.885	-0.427	-1.228	0.374	0.382	0.734	-0.568	-0.421	0.612	0.266	0.11	-0.642	-0.398	0.796	-0.055	-0.19	-0.474	0.056	0.415	0.004	-0.133	-0.266	0.197	-0.004	-0.019	-0.152	407.141	25.489	-2.503	0.494	-4.427	-2.053	5.05	-0.06	-1.331	0.195	0.668	0.495	-0.539	-0.359	0.775	0.435	0.067	-0.966	-0.792	1.65	-0.038	-0.101	-0.885	-0.385	0.768	0.204	-0.182	-0.412	0.099	-0.186	0.244	-0.125	1210.94	83.921	-12.264	2.734	-16.719	0.151	15.776	-2.656	-5.157	0.749	2.113	4.658	-2.775	-3.13	3.298	1.343	1.4	-2.924	-3.779	4.701	0.2	-0.745	-2.099	-0.965	1.987	0.629	-0.935	-1.324	0.302	-0.196	0.6	-1.155
ZINC03815202	465	30.042	-1.704	-0.012	-4.417	-3.142	4.296	0.343	-0.774	0.019	-0.006	0.175	-0.177	-0.349	1.02	0.387	-0.139	-1.084	-0.582	1.66	-0.179	-0.018	-0.793	-0.381	0.7	0.161	0.084	-0.457	0.039	0.007	0.239	-0.035	210.048	20.262	-2.307	-0.655	-3.766	0.338	3.964	-1.34	-1.836	0.078	0.204	1.529	-0.951	-1.167	1.176	0.163	0.46	-0.688	-0.71	0.889	0.058	-0.038	-0.573	-0.078	0.496	0.035	-0.136	-0.312	0.171	0.115	-0.019	-0.198	205.787	18.753	-1.545	-0.548	-3.202	-0.237	3.258	-0.785	-1.32	0.061	0.325	0.817	-0.694	-0.668	0.892	0.192	0.15	-0.657	-0.378	0.801	-0.002	-0.069	-0.517	-0.005	0.468	0.002	-0.12	-0.245	0.134	0.062	-0.02	-0.114	472.785	31.134	-1.937	0.11	-4.754	-3.093	4.595	0.237	-0.952	0.027	-0.009	0.362	-0.291	-0.483	1.159	0.374	-0.039	-1.08	-0.733	1.722	-0.138	0	-0.801	-0.442	0.713	0.184	0.073	-0.465	0.047	0.017	0.231	-0.062	218.696	18.841	-1.318	-0.5	-3.02	-0.631	3.088	-0.532	-1.124	0.06	0.324	0.536	-0.55	-0.486	0.802	0.201	0.01	-0.661	-0.264	0.816	-0.04	-0.076	-0.524	0.008	0.476	0.001	-0.102	-0.242	0.119	0.037	0.006	-0.08	600.519	36.193	-2.502	0.465	-5.365	-4.315	5.039	0.621	-0.659	0.116	-0.234	0.176	-0.097	-0.403	1.273	0.464	-0.076	-1.32	-0.89	2.144	-0.23	0.01	-0.88	-0.623	0.764	0.251	0.188	-0.55	0.029	-0.013	0.305	-0.022	1427.677	105.877	-8.957	0.53	-17.808	-7.743	18.202	-1.823	-5.897	0.344	-0.709	3.876	-2.342	-3.53	5.338	1.111	0.827	-3.212	-3.712	5.308	0.307	0.104	-2.817	-1.561	2.212	0.709	0.13	-1.576	0.447	0.21	0.376	-0.502
ZINC03815203	351	22.91	-2.086	-0.026	-3.791	-1.689	4.221	-0.166	-1.167	0.254	0.518	0.288	-0.61	-0.053	0.725	0.327	-0.164	-0.97	-0.312	1.407	-0.232	0.081	-0.897	-0.148	0.846	-0.036	-0.118	-0.257	0.1	0.03	0.159	-0.13	354.678	22.588	-5.326	1.966	-4.069	1.454	3.177	-0.616	-1.712	0.982	0.112	1.651	-1.019	-0.654	0.699	0.124	0.544	-0.822	-0.995	1.192	-0.251	-0.281	-0.231	-0.16	0.687	0.017	-0.08	-0.414	0.515	0.186	-0.093	-0.214	201.157	17.1	-2.214	-0.099	-3.078	0.51	2.925	-0.761	-1.258	0.357	0.426	0.924	-0.806	-0.512	0.904	0.091	0.224	-0.786	-0.403	0.954	-0.208	-0.09	-0.491	0.059	0.565	-0.125	-0.15	-0.157	0.232	0.144	-0.117	-0.166	366.953	23.631	-2.482	0.148	-4.138	-1.388	4.318	-0.27	-1.264	0.28	0.552	0.477	-0.667	-0.17	0.796	0.328	-0.055	-0.981	-0.465	1.481	-0.221	0.083	-0.885	-0.188	0.86	-0.008	-0.131	-0.271	0.105	0.066	0.142	-0.158	221.365	17.289	-2.218	-0.013	-2.912	0.16	2.839	-0.515	-1.19	0.41	0.422	0.698	-0.707	-0.307	0.738	0.147	0.087	-0.776	-0.322	0.957	-0.237	-0.091	-0.515	0.061	0.573	-0.126	-0.115	-0.167	0.224	0.102	-0.07	-0.127	433.854	25.936	-2.675	0.387	-4.551	-2.271	4.935	-0.11	-1.193	0.23	0.569	0.253	-0.646	-0.008	0.762	0.402	-0.172	-1.068	-0.448	1.689	-0.229	0.172	-1.028	-0.287	0.963	0.035	-0.127	-0.313	0.074	0.011	0.229	-0.144	1212.94	80.749	-11.491	2.188	-16.698	0.94	14.364	-2.764	-4.978	1.177	1.969	4.187	-2.943	-2.288	3.779	0.743	1.245	-3.322	-3.044	5.133	-0.724	0.035	-2.477	-0.795	2.889	0.04	-0.607	-0.857	0.462	0.717	0.111	-0.849
ZINC03815236	351	22.431	-1.801	0.15	-3.789	-1.261	3.451	0.22	-1.189	0.092	0.427	0.469	-0.399	-0.54	0.964	0.353	-0.267	-1.052	-0.483	1.289	-0.282	-0.052	-0.708	-0.35	0.922	-0.073	-0.12	-0.18	0.017	0.168	0.035	-0.18	354.678	16.739	-4.396	-0.024	-4.396	3.033	2.878	-0.379	-1.996	0.505	-0.017	1.487	-0.599	-0.517	0.884	0.443	0.255	-1.052	-0.871	1.267	0.007	-0.319	-0.21	-0.33	0.625	-0.291	0.029	-0.453	0.409	0.268	-0.22	-0.292	201.157	16.569	-2.107	-0.159	-3.129	0.929	2.679	-0.651	-1.309	0.265	0.274	0.93	-0.694	-0.737	0.917	0.16	0.147	-0.812	-0.439	0.897	-0.162	-0.133	-0.464	-0.025	0.623	-0.228	-0.13	-0.123	0.19	0.226	-0.169	-0.151	366.953	23.16	-2.226	0.329	-4.124	-0.911	3.599	0.159	-1.31	0.087	0.46	0.644	-0.457	-0.635	1.033	0.375	-0.194	-1.07	-0.621	1.382	-0.237	-0.067	-0.703	-0.386	0.949	-0.062	-0.12	-0.203	0.026	0.225	0.011	-0.203	221.365	16.565	-2.002	-0.13	-2.984	0.631	2.468	-0.383	-1.23	0.258	0.293	0.725	-0.59	-0.541	0.816	0.216	0.023	-0.822	-0.371	0.897	-0.21	-0.137	-0.472	-0.042	0.614	-0.237	-0.1	-0.126	0.178	0.163	-0.14	-0.131	433.854	25.503	-2.359	0.641	-4.481	-1.819	3.964	0.449	-1.226	0.028	0.523	0.506	-0.396	-0.604	1.079	0.432	-0.337	-1.168	-0.67	1.556	-0.292	-0.031	-0.757	-0.556	1.056	0.026	-0.132	-0.239	-0.017	0.208	0.063	-0.208	1212.94	78.301	-10.89	2.128	-16.247	3.033	12.981	-1.27	-5.509	0.435	1.454	4.538	-2.19	-3.312	4.114	1.135	0.349	-3.523	-3.27	5.07	-0.209	-0.534	-2.052	-1.122	3.3	-0.297	-0.365	-0.839	0.33	1.401	-0.269	-0.861
ZINC03815238	1128	49.699	-12.276	10.039	-9.653	-1.956	1.216	1.41	2.732	-0.662	-0.076	-4.267	0.702	3.342	0.252	-0.431	-1.267	-1.855	1.593	2.252	-1.544	0.358	-0.776	-0.253	0.153	0.599	0.424	-0.225	-1.45	0.133	0.977	0.097	237.503	18.874	-3.773	-0.507	-3.297	3.21	1.471	-2.375	-0.152	1.586	0.218	-0.671	-1.081	1.044	0.701	-0.697	-0.484	-0.187	0.895	-0.11	-0.706	0.156	0.266	0.008	-0.399	-0.019	0.301	-0.009	-0.224	-0.176	0.24	0.131	313.864	22.372	-4.008	0.955	-3.77	1.718	1.156	-1.062	0.197	0.826	0.292	-1.54	-0.469	1.437	0.413	-0.657	-0.571	-0.396	1.001	0.152	-0.685	0.255	-0.049	-0.097	-0.178	0.192	0.275	-0.175	-0.425	-0.062	0.42	0.03	1086.554	49.471	-11.847	9.473	-9.61	-1.611	1.311	1.143	2.559	-0.425	0.135	-4.263	0.542	3.237	0.475	-0.464	-1.268	-1.805	1.53	2.189	-1.516	0.331	-0.641	-0.294	0.095	0.536	0.444	-0.168	-1.33	0.029	0.897	0.162	386.564	25.2	-4.538	1.957	-4.231	0.947	1.092	-0.431	0.438	0.482	0.255	-1.979	-0.154	1.676	0.294	-0.651	-0.655	-0.54	1.102	0.36	-0.737	0.287	-0.224	-0.122	-0.07	0.294	0.261	-0.24	-0.575	0	0.538	-0.013	1506.367	60.823	-16.696	14.356	-12.518	-2.907	1.243	1.748	4.063	-1.011	-0.223	-5.203	0.839	4.11	0.349	-0.24	-1.482	-2.497	1.634	3.184	-1.916	0.385	-0.833	-0.392	0.117	0.694	0.572	-0.154	-1.759	0.115	1.056	0.221	1965.904	99.83	-19.738	15.369	-19.87	-0.558	3.933	-0.204	4.712	1.653	0.925	-8.142	-0.193	5.889	3.065	-1.451	-2.78	-3.263	2.734	4.039	-2.873	0.345	-0.395	-0.774	-0.54	0.63	1.071	0.046	-1.767	-0.865	1.322	0.854
ZINC03815259	1035	47.793	-11.166	9.096	-9.034	-2.227	1.837	0.864	2.352	-0.521	0.474	-3.844	0.026	2.939	0.264	-0.39	-1.12	-1.561	1.124	2.032	-1.229	0.24	-0.314	-0.365	0.306	0.38	0.344	-0.151	-1.246	0.24	0.581	0.211	240.789	19.306	-3.702	-0.661	-3.278	2.932	1.734	-2.425	-0.31	1.639	0.103	-0.45	-1.121	0.77	0.878	-0.647	-0.451	-0.12	0.703	0.048	-0.652	0.124	0.394	-0.114	-0.246	-0.048	0.216	0.12	-0.258	-0.104	0.184	0.079	293.86	21.8	-3.888	0.693	-3.494	1.527	1.295	-1.149	0.062	0.829	0.306	-1.329	-0.586	1.212	0.482	-0.595	-0.508	-0.313	0.798	0.204	-0.599	0.201	0.108	-0.181	-0.085	0.145	0.212	-0.077	-0.402	-0.006	0.318	0.022	1014.951	48.419	-10.889	8.744	-9.229	-1.896	1.909	0.611	2.279	-0.319	0.67	-3.87	-0.112	2.843	0.502	-0.379	-1.12	-1.482	1.012	2.007	-1.206	0.199	-0.142	-0.434	0.268	0.326	0.346	-0.076	-1.145	0.176	0.505	0.245	351.15	23.979	-4.355	1.586	-3.774	0.787	1.214	-0.561	0.284	0.48	0.333	-1.747	-0.322	1.461	0.315	-0.594	-0.57	-0.446	0.892	0.355	-0.625	0.227	-0.05	-0.192	0	0.236	0.207	-0.156	-0.525	0.045	0.409	0.004	1387.662	58.832	-15.072	13.246	-11.969	-3.286	2.138	1.089	3.593	-0.806	0.546	-4.717	-0.047	3.603	0.365	-0.22	-1.324	-2.092	1.058	2.872	-1.512	0.253	-0.245	-0.516	0.324	0.394	0.49	-0.1	-1.48	0.249	0.536	0.381	2079.904	106.217	-20.072	16.955	-21.245	-1.803	5.456	-1.618	5.251	1.838	1.893	-7.158	-1.437	4.856	3.452	-0.716	-2.212	-2.029	0.65	4.06	-2.121	-0.021	1.424	-1.739	0.283	0.249	0.532	0.617	-1.707	0.107	0.447	0.592
ZINC03815280	496	29.342	-1.878	0.99	-4.686	-3.052	4.033	0.183	-0.616	0.052	0.18	0.135	-0.359	-0.094	1	0.233	-0.494	-1.49	0.231	1.67	-0.553	0.005	-1.026	-0.287	1.181	-0.026	-0.091	-0.316	-0.086	0.076	0.127	-0.098	208.453	18.817	-1.934	-0.397	-3.936	1.147	3.73	-1.448	-1.648	0.808	0.044	1.557	-1.142	-1.273	1.501	0.008	0.454	-0.945	-0.395	1.077	-0.224	-0.138	-0.638	0.022	0.781	-0.315	-0.269	-0.039	0.141	0.393	-0.33	-0.15	220.19	18.413	-1.588	-0.051	-3.53	0.296	3.141	-0.901	-1.19	0.5	0.166	0.875	-0.869	-0.746	1.175	0.043	0.141	-0.986	-0.095	0.988	-0.296	-0.096	-0.662	0.053	0.75	-0.303	-0.2	-0.025	0.077	0.26	-0.236	-0.103	497.459	30.192	-2.198	1.027	-4.873	-2.841	4.273	0.118	-0.855	0.089	0.245	0.307	-0.473	-0.235	1.113	0.223	-0.37	-1.467	0.085	1.731	-0.518	-0.029	-0.995	-0.326	1.191	-0.009	-0.132	-0.326	-0.041	0.131	0.084	-0.113	239.037	18.777	-1.358	0.093	-3.435	-0.216	2.986	-0.642	-0.964	0.375	0.175	0.595	-0.717	-0.522	1.047	0.07	-0.021	-1.027	0.039	0.994	-0.331	-0.072	-0.706	0.05	0.772	-0.287	-0.163	-0.039	0.032	0.196	-0.167	-0.087	619.906	34.237	-2.725	1.813	-5.408	-4.19	4.596	0.406	-0.507	-0.06	0.213	0.115	-0.301	-0.011	1.039	0.272	-0.608	-1.662	0.209	1.987	-0.636	0.025	-1.08	-0.482	1.323	0.134	-0.094	-0.436	-0.091	0.053	0.197	-0.102	1370.536	95.228	-7.179	1.563	-17.379	-3.452	15.978	-1.812	-5.373	1.452	0.345	3.936	-2.911	-3.063	5.143	0.307	0.481	-4.177	-1.252	5.677	-1.127	-0.557	-2.929	-0.832	3.789	-0.292	-0.892	-0.832	0.197	1.178	-0.361	-0.528
ZINC03815242	351	23.306	-1.936	-0.22	-3.873	-2.32	4.648	-0.216	-1.352	0.181	0.267	0.445	-0.787	-0.137	0.896	0.309	-0.172	-0.911	-0.353	1.423	-0.15	0.016	-0.898	-0.158	0.835	0.013	-0.183	-0.262	0.186	0.025	0.147	-0.179	320.447	21.896	-4.187	1.116	-3.881	0.142	3.749	-0.44	-2.4	0.995	-0.48	1.894	-1.257	-0.803	0.954	0.035	0.589	-0.908	-0.824	1.196	-0.19	-0.184	-0.364	-0.114	0.678	0.042	-0.154	-0.494	0.554	0.257	-0.143	-0.312	192.527	17.124	-1.995	-0.303	-3.065	0.001	3.198	-0.766	-1.487	0.359	0.208	1.053	-0.913	-0.599	1.027	0.053	0.228	-0.777	-0.394	0.969	-0.167	-0.1	-0.501	0.06	0.555	-0.082	-0.199	-0.175	0.273	0.147	-0.131	-0.202	371.932	24.246	-2.372	-0.126	-4.271	-2.266	4.936	-0.347	-1.523	0.206	0.177	0.698	-0.896	-0.293	1.044	0.301	-0.063	-0.905	-0.526	1.505	-0.101	-0.007	-0.888	-0.198	0.837	0.06	-0.223	-0.285	0.223	0.059	0.136	-0.216	202.701	16.985	-1.905	-0.174	-2.832	-0.301	3.015	-0.485	-1.392	0.384	0.253	0.788	-0.81	-0.356	0.832	0.107	0.083	-0.754	-0.287	0.957	-0.221	-0.087	-0.52	0.06	0.569	-0.098	-0.154	-0.179	0.259	0.103	-0.097	-0.169	445.279	26.644	-2.653	0.152	-4.766	-3.171	5.611	-0.207	-1.402	0.12	0.193	0.472	-0.898	-0.12	1.025	0.385	-0.186	-0.963	-0.532	1.707	-0.092	0.056	-1.019	-0.305	0.932	0.107	-0.229	-0.318	0.214	-0.004	0.227	-0.205	1392.802	88.797	-15.397	-0.306	-17.708	-6.879	20.191	-3.962	-7.619	1.793	-2.2	6.224	-4.127	-3.717	6.355	0.436	1.262	-2.914	-3.811	5.434	0.392	-0.702	-2.493	-0.768	2.381	0.657	-1.428	-1.096	1.395	0.642	0.392	-1.04
ZINC03813425	990	48.883	-12.045	11.452	-10.135	-0.1	1.136	1.701	1.356	-0.18	0.261	-3.148	0.294	3.335	-0.176	-0.337	-1.311	-1.957	1.352	1.949	-1.398	0.47	-0.805	-0.611	0.401	0.105	0.886	-0.2	-1.139	0.002	0.923	0.456	350.743	21.536	-6.569	1.834	-4.32	3.379	0.033	-1.434	-1.092	2.305	-0.299	0.242	-1.311	0.745	0.532	-0.96	-0.284	-0.679	1.253	-0.352	-0.28	-0.058	0.24	-0.292	-0.149	-0.184	0.415	-0.128	-0.317	-0.019	-0.172	0.387	301.009	22.006	-4.596	1.652	-3.731	1.804	0.843	-0.793	-0.262	1.038	0.257	-1.023	-0.533	1.383	0.303	-0.601	-0.49	-0.499	1.005	0.07	-0.476	0.214	-0.08	-0.213	-0.041	0.007	0.425	-0.117	-0.357	-0.035	0.325	0.191	966.163	48.568	-11.903	11.11	-10.121	0.031	1.211	1.436	1.172	0.025	0.374	-3.164	0.13	3.22	0.022	-0.39	-1.278	-1.969	1.351	1.872	-1.367	0.461	-0.707	-0.662	0.367	0.044	0.913	-0.148	-1.06	-0.093	0.817	0.51	374.341	24.98	-5.308	2.779	-4.31	1.326	0.662	-0.128	-0.118	0.811	0.269	-1.318	-0.294	1.694	0.109	-0.588	-0.61	-0.619	1.059	0.242	-0.508	0.222	-0.216	-0.268	0.043	0.099	0.448	-0.18	-0.47	0.009	0.448	0.164	1316.648	59.797	-16.085	16.54	-13.441	-0.411	1.236	2.197	2.116	-0.456	0.195	-3.858	0.252	4.05	-0.222	-0.185	-1.562	-2.71	1.384	2.777	-1.828	0.623	-0.937	-0.882	0.474	0.045	1.175	-0.175	-1.388	-0.086	0.997	0.687	1825.28	97.184	-23.212	19.908	-20.463	0.812	3.382	0.582	1.262	2.366	0.627	-5.771	-1.149	5.336	2.038	-1.099	-2.447	-4.033	2.748	3.207	-2.403	0.685	-0.714	-1.546	0.475	-0.349	2.019	0.011	-1.546	-0.814	0.603	1.451
ZINC03815036	406	25.983	-1.513	-0.117	-4.013	-2.54	3.783	0.036	-0.738	-0.06	0.125	0.242	-0.577	0.063	0.931	0.559	-0.057	-1.246	-0.577	1.476	0.043	0.123	-0.733	-0.419	0.85	0.072	-0.169	-0.33	0.115	0.062	-0.019	-0.055	314.47	18.215	-3.931	-0.812	-3.948	1.679	3.146	-0.261	-2.201	0.805	-0.8	2.254	-1.122	-0.519	0.942	0.609	0.577	-0.92	-1.019	1.337	0.046	-0.035	-0.358	-0.45	0.38	0.014	-0.25	-0.544	0.388	0.26	-0.148	-0.423	205.392	17.38	-1.965	-0.248	-3.098	0.225	2.99	-0.675	-1.252	0.337	0.105	1.065	-0.782	-0.626	0.941	0.28	0.247	-0.762	-0.494	0.955	-0.016	-0.061	-0.434	-0.139	0.541	-0.085	-0.214	-0.178	0.197	0.224	-0.158	-0.176	416.869	26.693	-1.665	-0.036	-4.342	-2.39	3.956	-0.019	-0.95	-0.036	0.059	0.445	-0.68	-0.063	1.014	0.576	0.029	-1.242	-0.74	1.535	0.116	0.124	-0.72	-0.498	0.828	0.132	-0.191	-0.371	0.131	0.1	-0.038	-0.089	224.983	17.41	-1.936	-0.199	-2.962	-0.131	2.755	-0.412	-1.095	0.325	0.12	0.822	-0.69	-0.366	0.837	0.367	0.111	-0.79	-0.41	0.98	-0.076	-0.054	-0.458	-0.124	0.532	-0.111	-0.183	-0.18	0.187	0.167	-0.138	-0.153	512.179	30.548	-1.609	0.159	-4.937	-3.526	4.334	0.183	-0.69	-0.157	0.02	0.141	-0.657	0.223	1.057	0.67	-0.036	-1.47	-0.822	1.771	0.169	0.218	-0.82	-0.651	0.949	0.218	-0.179	-0.438	0.137	0.028	-0.029	-0.015	1309.302	89.667	-6.937	-0.093	-16.489	-3.924	15.195	-1.777	-5.613	0.509	-1.227	5.061	-3.505	-2.384	4.607	1.364	1.449	-3.722	-3.986	5.22	1.098	0.34	-2.003	-2.119	2.205	0.894	-1.019	-1.477	0.548	0.754	-0.225	-0.871
ZINC03815410	990	46.331	-11.015	6.991	-8.348	-1.476	1.244	1.252	0.968	0.025	-0.231	-3.898	0.171	2.614	0.215	-0.408	-1.076	-1.675	1.124	1.736	-1.05	0.139	-0.273	-0.693	0.513	0.436	0.38	0.118	-1.079	0.125	0.873	0.11	350.743	22.232	-6.857	1.682	-3.796	4.143	0.424	-1.489	-1.388	1.65	-0.241	-0.111	-0.883	0.518	0.721	-0.864	-0.233	-0.42	0.904	-0.062	-0.249	-0.026	0.291	-0.166	-0.155	0.004	0.149	-0.013	-0.288	0.05	-0.052	0.166	301.009	21.641	-4.622	0.835	-3.386	1.658	0.923	-0.882	-0.331	0.964	0.122	-1.158	-0.572	1.173	0.398	-0.572	-0.454	-0.426	0.84	0.111	-0.504	0.157	0.081	-0.183	-0.022	0.139	0.282	-0.089	-0.347	0.013	0.318	-0.018	966.163	46.379	-10.9	6.824	-8.393	-1.228	1.325	0.997	0.842	0.179	-0.107	-3.8	-0.031	2.525	0.431	-0.434	-1.075	-1.634	1.079	1.701	-1.028	0.123	-0.179	-0.718	0.433	0.374	0.393	0.163	-1.002	0.027	0.783	0.144	374.341	24.324	-5.324	1.641	-3.802	1.086	0.738	-0.216	-0.229	0.718	0.064	-1.543	-0.318	1.389	0.225	-0.526	-0.541	-0.592	0.914	0.241	-0.519	0.175	-0.033	-0.236	0.095	0.231	0.279	-0.135	-0.454	0.086	0.424	-0.046	1316.648	56.52	-14.377	10.279	-10.964	-2.276	1.437	1.46	1.664	-0.144	-0.419	-4.834	0.091	3.103	0.358	-0.347	-1.253	-2.206	1.016	2.481	-1.263	0.113	-0.218	-1.018	0.58	0.498	0.437	0.307	-1.287	0.048	0.952	0.236	1825.28	94.891	-21.639	12.998	-18.109	-0.679	3.813	-0.76	1.172	2.201	-0.144	-6.274	-1.529	3.934	2.865	-1.195	-2.188	-2.716	1.853	3.264	-1.822	-0.003	0.404	-1.783	0.295	0.173	0.901	0.694	-1.398	-0.753	0.968	0.539
ZINC03815046	435	25.925	-1.832	1.551	-4.376	-2.644	3.748	-0.25	-0.43	-0.067	0.21	-0.02	-0.583	-0.183	0.968	0.424	-0.271	-1.398	-0.122	1.492	-0.298	0.092	-0.843	-0.469	1.097	-0.189	-0.042	-0.015	-0.073	0.099	-0.1	-0.069	239.972	19.343	-2.415	0.166	-3.937	1.689	3.256	-1.486	-1.059	0.346	0.01	1.397	-0.981	-1.235	1.422	0.148	0.517	-0.862	-0.632	1.341	-0.233	-0.142	-0.517	-0.113	0.801	-0.329	-0.129	-0.024	0.094	0.342	-0.13	-0.108	211.801	18.037	-1.862	0.037	-3.399	0.493	3.002	-0.991	-1.002	0.294	0.191	0.838	-0.866	-0.754	1.113	0.142	0.207	-0.927	-0.253	1.026	-0.255	-0.091	-0.556	-0.013	0.709	-0.329	-0.153	0.035	0.093	0.249	-0.226	-0.101	442.624	26.484	-2.035	1.777	-4.673	-2.371	3.859	-0.292	-0.481	-0.029	0.168	0.117	-0.643	-0.334	1.092	0.431	-0.177	-1.36	-0.267	1.556	-0.239	0.071	-0.816	-0.524	1.101	-0.158	-0.047	-0.029	-0.086	0.149	-0.106	-0.084	231.036	18.454	-1.803	0.194	-3.315	0.064	2.863	-0.791	-0.828	0.18	0.249	0.548	-0.76	-0.561	1	0.179	0.08	-0.977	-0.143	1.041	-0.293	-0.081	-0.584	-0.019	0.736	-0.339	-0.13	0.052	0.071	0.195	-0.197	-0.081	545.397	29.931	-2.235	2.68	-5.251	-3.672	4.207	-0.117	-0.168	-0.128	0.148	-0.156	-0.589	-0.12	1.085	0.531	-0.352	-1.571	-0.248	1.767	-0.252	0.163	-0.893	-0.747	1.249	-0.083	-0.001	-0.033	-0.127	0.081	-0.112	-0.052	1378.677	87.337	-7.861	6.297	-17.824	-2.321	14.374	-2.449	-2.748	0.653	-0.564	3.255	-2.866	-3.455	5.466	1.168	0.948	-3.675	-2.623	5.764	-0.294	-0.196	-2.354	-1.856	3.514	-0.379	-0.32	-0.128	-0.249	1.111	-0.321	-0.48
ZINC03815035	990	45.427	-12.901	8.776	-9.015	-2.484	2.078	1.263	1.463	-0.286	-0.346	-3.139	0.11	2.989	0.392	-0.389	-0.974	-1.823	1.505	1.525	-1.277	0.26	-0.78	-0.323	0.312	0.463	0.387	-0.1	-1.15	0.125	0.546	0.213	350.743	21.395	-5.591	1.42	-4.134	3.992	1.678	-1.226	-1.345	1.509	0.13	-0.041	-1.295	0.576	0.688	-0.563	-0.342	-0.467	0.808	-0.092	-0.319	-0.14	0.187	0.091	0.037	0.13	0.197	0.083	-0.386	0.098	-0.091	0.267	301.009	20.652	-4.452	1.011	-3.492	1.285	1.489	-0.838	-0.193	0.732	0.18	-1.155	-0.6	1.313	0.538	-0.467	-0.428	-0.497	0.915	0.053	-0.507	0.214	-0.078	-0.074	-0.021	0.121	0.263	-0.065	-0.442	0.031	0.254	0.065	966.163	45.563	-12.577	8.315	-8.967	-2.115	2.182	1.116	1.209	-0.132	-0.132	-3.186	-0.053	2.896	0.582	-0.38	-0.978	-1.829	1.456	1.51	-1.248	0.258	-0.671	-0.353	0.277	0.412	0.411	-0.049	-1.084	0.04	0.47	0.269	374.341	23.262	-5.226	2.209	-3.994	0.693	1.364	-0.216	-0.024	0.526	0.082	-1.45	-0.388	1.523	0.359	-0.454	-0.485	-0.617	1.012	0.175	-0.558	0.22	-0.233	-0.094	0.075	0.231	0.254	-0.111	-0.548	0.088	0.329	0.037	1316.648	55.992	-17.395	12.417	-11.83	-3.565	2.37	1.616	2.21	-0.525	-0.494	-3.77	0.046	3.624	0.535	-0.305	-1.127	-2.454	1.574	2.222	-1.596	0.277	-0.864	-0.505	0.318	0.554	0.516	-0.043	-1.343	0.07	0.514	0.366	1825.28	94.016	-23.083	12.83	-18.152	-0.944	6.157	0.688	0.307	1.152	0.511	-6.276	-1.7	4.829	3.135	-0.629	-2.174	-3.64	2.236	2.957	-2.241	0.218	-0.586	-0.931	0.161	0.4	0.926	0.308	-1.571	-0.538	0.35	0.938
ZINC03815034	435	26.164	-1.609	-0.039	-4.133	-2.956	3.938	-0.007	-0.683	0.034	0.103	0.171	-0.759	0.126	0.922	0.405	-0.413	-1.406	-0.368	1.402	-0.154	0.179	-0.859	-0.451	0.996	-0.108	-0.127	-0.073	0.045	0.038	-0.022	-0.239	312.481	17.274	-3.919	-0.842	-3.929	1.934	3.025	-0.423	-2.024	0.65	-0.693	1.96	-1.12	-0.621	1.345	0.346	0.397	-1	-0.698	1.202	-0.042	-0.156	-0.34	-0.444	0.536	-0.209	-0.217	-0.466	0.418	0.195	-0.277	-0.352	215.741	17.722	-1.954	-0.291	-3.235	0.326	2.991	-0.771	-1.269	0.379	0.065	1.01	-0.942	-0.606	1.072	0.158	0.181	-0.931	-0.304	0.939	-0.171	-0.056	-0.54	-0.069	0.628	-0.267	-0.195	-0.058	0.164	0.224	-0.244	-0.189	439.88	26.539	-1.816	0.078	-4.464	-2.732	4.06	-0.08	-0.845	0.051	0.031	0.325	-0.855	0.003	1.034	0.413	-0.335	-1.377	-0.515	1.443	-0.085	0.173	-0.832	-0.508	0.981	-0.069	-0.144	-0.103	0.049	0.078	-0.045	-0.264	241.264	18.101	-1.87	-0.29	-3.1	-0.127	2.816	-0.49	-1.142	0.352	0.107	0.779	-0.849	-0.347	0.939	0.241	0.029	-0.966	-0.218	0.965	-0.211	-0.046	-0.57	-0.095	0.642	-0.271	-0.175	-0.065	0.158	0.164	-0.213	-0.184	542.075	30.213	-1.953	0.39	-5.075	-4.082	4.509	0.111	-0.517	-0.07	-0.012	0.03	-0.86	0.275	1.034	0.489	-0.562	-1.61	-0.596	1.638	-0.059	0.281	-0.925	-0.697	1.119	0.02	-0.126	-0.09	0.034	-0.012	0.003	-0.281	1311.302	86.096	-7.597	0.528	-17.13	-3.629	14.856	-2.123	-4.909	0.766	-1.476	4.068	-3.975	-2.279	5.257	0.904	0.494	-3.886	-3.146	4.858	0.33	0.35	-2.28	-1.775	2.791	-0.048	-0.787	-0.597	0.25	0.725	-0.337	-1.168
ZINC03815282	351	22.831	-1.628	-0.102	-3.841	-1.797	3.916	-0.02	-1.311	0.193	0.08	0.602	-0.513	-0.641	1.036	0.334	-0.192	-1.005	-0.548	1.249	-0.187	-0.091	-0.725	-0.411	0.831	0.032	-0.222	-0.264	0.051	0.16	0.062	-0.224	320.447	17.544	-3.989	-0.948	-3.943	1.866	3.348	-0.524	-2.13	0.504	-0.744	2.097	-1.071	-0.888	1.434	0.273	0.356	-0.86	-0.816	1.116	0.123	-0.247	-0.381	-0.416	0.51	-0.081	-0.254	-0.641	0.515	0.207	-0.145	-0.308	192.527	16.653	-1.948	-0.385	-3.094	0.47	2.977	-0.741	-1.405	0.324	0.031	1.087	-0.798	-0.825	1.038	0.126	0.205	-0.773	-0.43	0.866	-0.124	-0.129	-0.507	-0.068	0.577	-0.146	-0.217	-0.189	0.213	0.228	-0.147	-0.183	371.932	23.786	-2.068	0.009	-4.204	-1.623	4.247	-0.186	-1.494	0.224	-0.03	0.838	-0.626	-0.797	1.155	0.352	-0.084	-1.011	-0.721	1.338	-0.099	-0.117	-0.719	-0.461	0.818	0.085	-0.258	-0.323	0.074	0.21	0.057	-0.263	202.701	16.425	-1.843	-0.373	-2.896	0.139	2.696	-0.444	-1.294	0.321	0.078	0.843	-0.679	-0.591	0.916	0.179	0.055	-0.771	-0.335	0.845	-0.188	-0.131	-0.521	-0.086	0.577	-0.167	-0.188	-0.179	0.199	0.158	-0.128	-0.156	445.279	26.249	-2.265	0.376	-4.644	-2.544	4.681	0.035	-1.424	0.18	0.002	0.669	-0.559	-0.768	1.172	0.423	-0.223	-1.113	-0.807	1.511	-0.127	-0.103	-0.752	-0.633	0.898	0.181	-0.27	-0.361	0.033	0.187	0.114	-0.273	1392.802	86.034	-13.533	0.025	-16.595	-2.15	18.664	-4.356	-7.441	1.394	-3.092	6.683	-3.708	-5.281	5.976	0.922	1.364	-3.037	-4.35	5.103	1.073	-0.838	-1.943	-1.612	2.154	0.939	-1.566	-1.825	0.75	1.182	0.276	-1.338
ZINC03815281	990	43.971	-10.038	9.274	-7.762	-2.651	1.79	2.194	1.179	-0.279	-0.046	-4.194	0.853	3.025	0.097	-0.351	-1.307	-1.544	1.331	1.467	-0.856	0.127	-0.411	-0.65	0.473	0.486	0.232	-0.124	-0.947	-0.073	0.464	0.226	272.95	18.065	-5.21	0.441	-3.726	2.578	0.973	-1.879	-0.029	0.92	0.294	-0.587	-1.171	0.832	0.677	-0.549	-0.462	-0.115	0.768	0.003	-0.684	0.196	0.368	-0.08	-0.253	-0.169	0.507	-0.185	-0.003	-0.263	0.122	0.085	296.336	20.429	-4.365	1.459	-3.248	1.019	1.054	-0.645	-0.031	0.564	0.248	-1.355	-0.536	1.381	0.349	-0.467	-0.551	-0.368	0.858	0.074	-0.533	0.214	0.038	-0.201	-0.086	0.093	0.311	-0.177	-0.198	-0.146	0.293	0.049	970.258	43.991	-10.388	9.114	-8.001	-2.346	1.79	2.013	1.051	-0.12	0.172	-4.239	0.66	2.921	0.298	-0.425	-1.272	-1.519	1.305	1.453	-0.864	0.154	-0.275	-0.677	0.414	0.416	0.292	-0.077	-0.868	-0.172	0.393	0.283	361.475	22.754	-4.638	2.221	-3.535	0.365	1.014	-0.029	0.165	0.327	0.218	-1.745	-0.19	1.567	0.262	-0.464	-0.628	-0.474	0.935	0.215	-0.535	0.203	-0.073	-0.266	0.022	0.208	0.269	-0.227	-0.308	-0.092	0.367	0.034	1321.855	53.767	-13.657	13.325	-10.323	-3.678	2.004	2.869	1.761	-0.446	-0.103	-5.347	1.145	3.603	0.142	-0.277	-1.577	-2.047	1.335	2.105	-0.99	0.096	-0.373	-0.895	0.585	0.559	0.296	-0.02	-1.178	-0.131	0.363	0.374	1904.904	88.687	-24.801	18.283	-18.795	-2.47	4.167	2.064	1.813	1.613	1.276	-8.227	-0.521	4.868	2.37	-1.763	-2.232	-2.728	2.371	2.792	-1.764	0.541	0.579	-1.654	0.47	0.106	1.184	0.187	-1.172	-1.259	0.241	0.951
ZINC03813430	990	43.892	-11.19	9.146	-7.553	-2.474	1.417	1.331	1.717	0.23	0.022	-3.178	0.002	3.167	-0.155	-0.27	-1.276	-1.658	1.532	1.353	-0.563	-0.268	-0.424	-0.268	0.001	0.939	0.131	0.098	-1.277	0.066	0.877	0.155	350.743	18.763	-5.392	1.372	-4.369	2.515	0.613	-1.236	-1.353	1.945	-0.184	-0.381	-1.135	0.76	0.261	-0.803	-0.233	-0.463	0.944	-0.385	-0.415	-0.145	0.381	-0.134	-0.334	0.094	0.123	0.156	-0.354	-0.094	0.104	0.242	301.009	20.366	-4.363	1.403	-3.367	1.328	0.947	-0.794	-0.235	0.917	0.214	-1.097	-0.707	1.406	0.229	-0.569	-0.522	-0.433	0.993	-0.066	-0.408	0.078	0.034	-0.116	-0.155	0.313	0.194	-0.037	-0.338	-0.081	0.382	0.079	966.163	44.038	-11.036	8.814	-7.681	-2.195	1.404	1.171	1.556	0.358	0.182	-3.203	-0.195	3.085	0.006	-0.31	-1.282	-1.685	1.475	1.335	-0.6	-0.228	-0.361	-0.278	-0.054	0.859	0.174	0.15	-1.179	-0.042	0.806	0.204	374.341	22.655	-5.064	2.562	-3.662	0.67	0.805	-0.164	-0.044	0.742	0.15	-1.403	-0.489	1.658	0.067	-0.537	-0.597	-0.582	1.1	0.042	-0.382	0.032	-0.089	-0.127	-0.072	0.457	0.15	-0.073	-0.48	-0.009	0.483	0.036	1316.648	53.8	-14.851	12.903	-9.803	-3.685	1.592	1.674	2.643	0.165	-0.042	-3.932	0.02	3.805	-0.169	-0.079	-1.553	-2.198	1.555	2.037	-0.656	-0.391	-0.433	-0.407	-0.1	1.111	0.187	0.251	-1.595	0.024	0.937	0.271	1825.28	90.288	-19.999	14.293	-16.845	-2.479	3.188	0.537	2.017	2.451	0.715	-6.276	-2.079	5.294	1.433	-1.235	-2.723	-3.495	2.352	2.594	-1.424	-0.372	-0.078	-0.648	-0.722	1.034	0.662	0.767	-1.574	-0.979	1.073	0.844
ZINC03813429	990	43.552	-10.102	9.098	-7.552	-2.826	1.876	2.462	1.083	-0.19	-0.31	-3.851	0.622	2.999	0.018	-0.132	-1.415	-1.479	1.227	1.477	-0.989	0.07	-0.33	-0.742	0.53	0.457	0.266	-0.039	-0.937	-0.174	0.483	0.339	350.743	17.317	-6.662	0.441	-4.262	2.083	0.98	-0.874	-1.05	1.474	-0.024	-0.176	-1.347	1.051	0.219	-0.794	-0.155	-0.625	0.813	-0.331	-0.356	0.059	0.205	-0.141	-0.347	-0.008	0.274	0.095	-0.106	-0.097	0.057	0.226	301.009	20.119	-4.502	1.484	-3.171	0.856	1.112	-0.44	-0.291	0.748	0.138	-1.227	-0.631	1.462	0.24	-0.483	-0.488	-0.457	0.857	-0.032	-0.483	0.184	-0.011	-0.203	-0.104	0.126	0.257	-0.095	-0.227	-0.126	0.296	0.092	966.163	43.524	-10.366	8.87	-7.711	-2.615	1.935	2.274	0.914	-0.02	-0.108	-3.87	0.411	2.969	0.153	-0.19	-1.395	-1.459	1.193	1.444	-0.998	0.12	-0.241	-0.755	0.458	0.388	0.305	0.009	-0.865	-0.26	0.424	0.379	374.341	22.334	-4.943	2.298	-3.476	0.195	1.024	0.252	-0.145	0.55	0.078	-1.521	-0.337	1.661	0.102	-0.446	-0.58	-0.569	0.915	0.095	-0.505	0.17	-0.118	-0.262	0.004	0.243	0.219	-0.132	-0.334	-0.081	0.365	0.074	1316.648	53.316	-13.628	12.997	-10.034	-3.929	2.156	3.18	1.699	-0.401	-0.466	-4.906	0.839	3.562	0.054	0.069	-1.756	-1.93	1.186	2.148	-1.205	0.03	-0.248	-1.046	0.679	0.496	0.353	0.077	-1.158	-0.283	0.397	0.529	1825.28	87.513	-23.273	16.874	-17.27	-4.028	5.217	2.564	0.992	1.95	0.332	-7.275	-1.129	5.767	1.46	-1.103	-2.694	-2.75	2.083	2.7	-2.044	0.694	0.139	-1.623	0.375	0.143	0.945	0.499	-1.233	-1.245	0.449	1.067
ZINC03815072	435	25.518	-1.8	1.442	-4.258	-2.81	3.812	-0.192	-0.812	0.069	0.199	0.276	-0.723	-0.037	0.809	0.472	-0.323	-1.375	-0.153	1.441	-0.304	0.133	-0.903	-0.47	1.033	-0.133	-0.04	-0.066	-0.012	0.096	-0.13	-0.092	312.481	18.976	-3.4	1.23	-3.885	1.762	3.133	-0.438	-2.476	1.013	-0.369	2.225	-1.259	-0.833	0.681	-0.028	0.558	-0.95	-0.641	1.142	-0.016	-0.132	-0.527	-0.286	0.637	0.004	0.058	-0.34	0.339	0.34	-0.243	-0.263	215.741	17.653	-1.96	0.135	-3.307	0.376	3.058	-0.805	-1.37	0.471	0.129	1.045	-0.982	-0.66	0.967	0.141	0.2	-0.939	-0.25	0.935	-0.211	-0.073	-0.576	-0.028	0.655	-0.255	-0.14	-0.03	0.151	0.256	-0.266	-0.136	439.88	25.994	-1.956	1.6	-4.527	-2.595	3.952	-0.218	-0.944	0.138	0.152	0.471	-0.796	-0.165	0.902	0.468	-0.24	-1.332	-0.294	1.482	-0.241	0.121	-0.883	-0.524	1.027	-0.09	-0.044	-0.089	-0.012	0.145	-0.15	-0.116	241.264	18.036	-1.982	0.36	-3.216	-0.042	2.905	-0.563	-1.299	0.396	0.173	0.831	-0.928	-0.423	0.8	0.21	0.067	-0.984	-0.165	0.952	-0.252	-0.056	-0.615	-0.04	0.667	-0.242	-0.108	-0.036	0.147	0.202	-0.232	-0.12	542.075	29.49	-2.111	2.444	-5.11	-3.897	4.295	-0.086	-0.612	0.015	0.151	0.215	-0.742	0.062	0.896	0.582	-0.425	-1.534	-0.287	1.714	-0.272	0.218	-0.972	-0.745	1.177	-0.027	-0.001	-0.087	-0.055	0.073	-0.151	-0.079	1311.302	84.718	-6.963	4.672	-16.91	-3.771	14.92	-1.93	-4.89	1.848	-0.907	4.766	-3.342	-2.783	4.606	0.959	0.766	-3.635	-2.507	5.063	-0.095	0.042	-2.56	-1.822	3.165	-0.017	-0.344	-0.401	0.084	1.106	-0.655	-0.725
ZINC03815374	351	23.224	-1.964	0.114	-3.642	-2.117	4.032	-0.085	-1.216	0.256	0.217	0.668	-0.572	-0.282	0.918	0.628	-0.325	-0.985	-0.343	1.222	0.027	0.089	-0.763	-0.305	0.823	0.073	-0.175	-0.416	0.201	0.062	0.152	-0.161	320.447	17.996	-4.526	-0.8	-3.684	1.352	3.495	-0.289	-2.298	1.163	-0.907	2.256	-1.088	-0.641	1.049	0.662	0.318	-0.838	-0.908	1.242	0.092	-0.15	-0.311	-0.339	0.346	0.046	-0.283	-0.573	0.493	0.222	-0.16	-0.399	192.527	16.674	-2.03	-0.405	-2.992	0.301	3.072	-0.692	-1.358	0.501	0.09	1.126	-0.769	-0.709	0.942	0.339	0.131	-0.712	-0.4	0.882	-0.014	-0.088	-0.435	-0.089	0.537	-0.084	-0.214	-0.192	0.245	0.202	-0.128	-0.179	371.932	24.101	-2.352	0.1	-3.903	-2.016	4.399	-0.191	-1.463	0.321	0.127	0.929	-0.694	-0.462	1.017	0.63	-0.274	-0.969	-0.504	1.275	0.114	0.062	-0.733	-0.355	0.813	0.164	-0.239	-0.465	0.23	0.089	0.143	-0.193	202.701	16.517	-1.986	-0.262	-2.859	0.013	2.74	-0.427	-1.211	0.483	0.105	0.89	-0.656	-0.445	0.825	0.427	0.007	-0.719	-0.303	0.891	-0.087	-0.059	-0.474	-0.086	0.527	-0.127	-0.159	-0.199	0.232	0.151	-0.103	-0.163	445.279	26.749	-2.571	0.611	-4.302	-2.963	4.868	-0.037	-1.37	0.226	0.206	0.792	-0.674	-0.314	1.031	0.715	-0.427	-1.069	-0.52	1.419	0.156	0.138	-0.835	-0.465	0.92	0.253	-0.239	-0.565	0.249	0.038	0.226	-0.174	1392.802	85.869	-13.574	-0.601	-14.693	-5.235	20.323	-2.929	-8.224	2.928	-1.732	7.355	-3.941	-4.715	5.303	1.359	-0.237	-2.848	-3.278	4.4	1.368	-0.529	-1.679	-1.284	2.128	1.671	-1.842	-1.952	1.217	0.398	0.449	-1.122
ZINC03815124	1128	49.836	-12.222	8.95	-9.515	-2.091	1.028	1.531	1.62	-0.378	0.288	-3.704	0.788	2.894	0.07	-0.436	-1.342	-1.957	2.052	2.049	-1.531	0.062	-0.752	-0.149	0.276	0.43	0.469	-0.237	-1.458	-0.16	1.17	-0.157	237.503	18.874	-3.987	-0.398	-3.293	3.01	1.557	-2.252	-0.404	1.451	0.206	-0.404	-1.198	1.15	0.672	-0.696	-0.484	-0.188	1.08	-0.198	-0.637	0.085	0.071	-0.019	-0.299	-0.127	0.435	0.002	-0.299	-0.077	0.203	0.09	313.864	22.229	-4.028	0.841	-3.757	1.736	1.148	-0.959	-0.008	0.783	0.396	-1.193	-0.519	1.506	0.377	-0.641	-0.582	-0.402	1.214	0.028	-0.628	0.175	-0.187	-0.084	-0.135	0.074	0.406	-0.164	-0.43	-0.033	0.433	-0.018	1086.554	49.681	-11.89	8.459	-9.418	-1.819	1.134	1.293	1.437	-0.195	0.451	-3.697	0.588	2.828	0.263	-0.507	-1.311	-1.945	1.976	1.978	-1.519	0.072	-0.68	-0.213	0.246	0.37	0.495	-0.18	-1.368	-0.243	1.066	-0.088	386.564	25.025	-4.508	1.681	-4.204	1.034	1.051	-0.333	0.191	0.495	0.411	-1.591	-0.173	1.704	0.251	-0.621	-0.673	-0.548	1.337	0.221	-0.678	0.189	-0.334	-0.089	-0.041	0.171	0.387	-0.231	-0.551	-0.009	0.578	-0.075	1506.367	61.135	-16.705	12.829	-12.247	-3.268	0.927	1.905	2.431	-0.659	0.252	-4.587	0.926	3.364	0.073	-0.298	-1.574	-2.686	2.2	2.952	-1.97	0	-0.759	-0.273	0.325	0.503	0.559	-0.177	-1.83	-0.322	1.317	-0.145	1965.904	101.745	-21.141	12.986	-19.245	-1.65	4.025	0.459	1.701	1.573	1.213	-6.963	-0.554	5.036	2.412	-1.68	-2.627	-3.795	3.361	3.532	-3.031	0.058	-0.946	-0.646	0.153	0.416	1.184	0.012	-2.081	-1.137	1.351	0.321
ZINC03815338	406	27.115	-2.369	0.175	-4.121	-1.909	4.207	-0.011	-0.706	-0.124	0.214	0.172	-0.1	-0.211	0.712	0.385	-0.163	-0.974	-0.438	1.546	-0.264	-0.125	-0.826	-0.229	0.728	0.21	-0.011	-0.438	0.061	-0.081	0.393	-0.046	241.656	20.558	-3.253	-0.192	-3.935	1.634	3.429	-1.541	-1.19	0.067	0.685	1.302	-0.856	-0.937	0.894	0.315	0.432	-0.729	-0.771	0.871	0.152	-0.305	-0.449	0.077	0.286	0.036	-0.227	-0.204	0.079	-0.028	0.079	-0.291	201.552	18.185	-1.84	-0.359	-3.126	0.416	3.041	-0.885	-1.117	0.11	0.438	0.738	-0.612	-0.573	0.806	0.189	0.161	-0.644	-0.378	0.805	-0.029	-0.172	-0.489	0.082	0.379	0.023	-0.149	-0.222	0.148	-0.013	0.056	-0.144	419.539	28.067	-2.673	0.33	-4.443	-1.64	4.43	-0.136	-0.822	-0.12	0.301	0.339	-0.213	-0.334	0.793	0.388	-0.063	-0.966	-0.586	1.609	-0.223	-0.147	-0.809	-0.269	0.718	0.231	-0.047	-0.431	0.054	-0.088	0.399	-0.084	215.129	18.296	-1.653	-0.4	-2.938	0.02	2.934	-0.662	-0.951	0.107	0.425	0.469	-0.458	-0.392	0.691	0.227	0.012	-0.653	-0.254	0.811	-0.061	-0.186	-0.511	0.102	0.391	0.02	-0.116	-0.221	0.129	-0.043	0.095	-0.102	515.408	31.762	-3.376	0.681	-4.877	-2.566	4.918	0.148	-0.618	-0.16	0.152	0.203	-0.03	-0.239	0.797	0.453	-0.114	-1.139	-0.664	1.962	-0.345	-0.127	-0.925	-0.418	0.839	0.312	0.023	-0.528	0.045	-0.115	0.512	-0.036	1327.065	94.459	-11.541	2.757	-17.559	0.004	16.026	-3	-3.942	-0.477	1.787	3.543	-2.324	-2.599	3.583	1.106	1.027	-2.904	-3.299	5.129	-0.087	-0.806	-2.304	-0.867	1.962	0.811	-0.707	-1.174	0.115	-0.334	1.109	-0.882
ZINC03815176	1128	48.123	-10.463	8.296	-7.425	-3.787	2.989	2.135	1.327	-0.932	0.476	-3.651	0.74	3.692	-0.207	-0.603	-1.459	-1.679	1.501	2.085	-1.7	0.185	-0.638	-0.551	0.843	0.315	0.437	-0.371	-1.279	-0.117	0.881	0.402	237.503	18.317	-4.025	0.273	-3.23	2.695	1.521	-2.03	-1.073	1.286	0.325	-0.458	-1.447	1.395	0.505	-0.537	-0.568	-0.275	0.913	-0.039	-0.728	0.14	0.232	0.035	-0.077	-0.131	0.34	-0.003	-0.209	-0.282	0.171	0.135	313.864	21.121	-3.732	1.168	-3.339	1.058	1.429	-0.772	-0.449	0.587	0.47	-1.33	-0.719	1.733	0.187	-0.542	-0.68	-0.383	0.996	0.115	-0.704	0.225	-0.041	-0.092	0.078	0.085	0.315	-0.195	-0.356	-0.151	0.344	0.108	1086.554	48.214	-10.421	8.069	-7.443	-3.401	3.023	1.882	1.032	-0.752	0.699	-3.706	0.524	3.624	-0.058	-0.62	-1.429	-1.685	1.473	2.026	-1.698	0.189	-0.532	-0.588	0.807	0.278	0.437	-0.295	-1.189	-0.221	0.788	0.446	386.564	23.602	-3.952	1.811	-3.579	0.167	1.534	-0.145	-0.143	0.265	0.461	-1.732	-0.359	1.964	0.053	-0.562	-0.778	-0.487	1.074	0.288	-0.754	0.247	-0.2	-0.141	0.192	0.176	0.304	-0.279	-0.478	-0.09	0.458	0.102	1506.367	59.699	-14.66	11.979	-9.409	-5.27	3.596	2.793	2.035	-1.39	0.586	-4.415	1.023	4.437	-0.238	-0.58	-1.672	-2.295	1.544	2.994	-2.18	0.143	-0.638	-0.865	1.072	0.323	0.541	-0.316	-1.587	-0.213	0.959	0.597	1886.768	96.649	-19.549	13.593	-15.154	-3.573	6.634	1.456	-0.356	0.118	2.146	-6.949	-0.814	6.817	1.147	-1.486	-2.809	-3.192	2.897	3.642	-3.388	0.279	-0.398	-1.273	1.414	0.262	0.852	-0.079	-1.841	-1.174	1.054	1.11
ZINC03815111	435	26.576	-1.623	1.088	-4.476	-2.995	4.272	-0.398	-0.776	-0.142	0.273	0.139	-0.756	-0.288	1.04	0.468	-0.38	-1.416	-0.336	1.421	-0.266	0.122	-0.912	-0.524	1.128	-0.156	-0.115	-0.059	-0.006	0.153	-0.142	-0.138	213.138	18.739	-2.04	-0.487	-3.854	0.934	4.036	-1.534	-1.721	0.591	-0.153	1.744	-1.176	-1.433	1.611	0.028	0.544	-0.967	-0.677	1.141	-0.125	-0.045	-0.651	-0.098	0.822	-0.226	-0.23	-0.094	0.118	0.492	-0.263	-0.236	202.948	18.01	-1.693	-0.244	-3.352	0.221	3.322	-1.054	-1.273	0.35	0.16	0.976	-0.962	-0.833	1.184	0.121	0.198	-0.963	-0.295	0.957	-0.215	-0.06	-0.606	-0.019	0.716	-0.296	-0.192	0.011	0.11	0.304	-0.271	-0.15	448.105	27.214	-1.891	1.244	-4.851	-2.827	4.562	-0.528	-0.894	-0.151	0.226	0.334	-0.861	-0.493	1.199	0.48	-0.289	-1.387	-0.53	1.496	-0.195	0.11	-0.909	-0.597	1.173	-0.107	-0.137	-0.082	-0.015	0.239	-0.156	-0.188	211.995	18.18	-1.511	-0.132	-3.164	-0.255	3.128	-0.828	-1.096	0.256	0.254	0.67	-0.854	-0.589	1.026	0.168	0.044	-0.997	-0.149	0.928	-0.253	-0.054	-0.623	-0.012	0.71	-0.313	-0.173	0.033	0.099	0.225	-0.25	-0.119	558.236	30.85	-2.196	2.161	-5.531	-4.13	4.984	-0.375	-0.594	-0.321	0.258	0.035	-0.844	-0.289	1.183	0.618	-0.516	-1.586	-0.59	1.696	-0.208	0.195	-0.994	-0.846	1.328	-0.027	-0.113	-0.092	-0.035	0.166	-0.162	-0.159	1571.178	91.17	-9.319	4.72	-19.706	-5.664	19.323	-4.432	-4.997	0.083	-1.32	5.21	-4.377	-5.285	7.113	1.126	0.83	-4.255	-4.405	6.208	0.095	0.165	-3.135	-2.48	4.52	0.197	-0.723	-0.545	-0.239	2.206	-0.39	-1.422
ZINC03815343	435	24.814	-1.662	-0.145	-3.988	-2.834	3.796	0.16	-0.779	-0.007	0.063	0.268	-0.746	-0.104	0.954	0.428	-0.459	-1.257	-0.252	1.358	-0.24	0.154	-0.866	-0.6	1.032	-0.32	-0.022	-0.192	0.038	0.054	-0.061	-0.122	312.481	17.105	-3.688	-0.873	-4.029	1.943	2.827	-0.309	-2.004	0.665	-0.544	1.855	-1.091	-0.58	1.289	0.362	0.392	-1.048	-0.609	1.248	-0.118	-0.107	-0.371	-0.45	0.608	-0.36	-0.145	-0.425	0.359	0.261	-0.34	-0.353	215.741	17.312	-1.864	-0.367	-3.247	0.342	2.908	-0.723	-1.258	0.409	0.084	1.02	-0.954	-0.64	1.106	0.154	0.155	-0.917	-0.249	0.954	-0.214	-0.063	-0.525	-0.088	0.645	-0.356	-0.145	-0.064	0.158	0.24	-0.275	-0.155	439.88	25.186	-1.832	-0.044	-4.308	-2.65	3.903	0.113	-0.935	0.033	0.018	0.421	-0.836	-0.217	1.076	0.42	-0.383	-1.232	-0.388	1.419	-0.197	0.157	-0.839	-0.656	1.026	-0.297	-0.032	-0.217	0.04	0.105	-0.093	-0.146	241.264	17.616	-1.822	-0.373	-3.085	-0.122	2.766	-0.442	-1.148	0.366	0.091	0.82	-0.867	-0.404	0.976	0.249	0.004	-0.938	-0.159	0.961	-0.252	-0.053	-0.553	-0.127	0.657	-0.366	-0.116	-0.084	0.151	0.179	-0.235	-0.149	542.075	28.392	-2.031	0.271	-4.835	-3.905	4.292	0.374	-0.666	-0.126	-0.015	0.135	-0.818	-0.026	1.043	0.508	-0.614	-1.4	-0.433	1.585	-0.187	0.259	-0.96	-0.909	1.172	-0.266	0.005	-0.258	0.024	0.014	-0.06	-0.104	1311.302	81.163	-6.543	0.282	-17.194	-3.431	13.463	-1.178	-4.706	0.904	-0.808	3.941	-3.689	-2.787	5.419	0.626	0.222	-3.576	-2.7	5.214	-0.369	0.434	-2.29	-2.115	3.107	-0.944	-0.261	-0.821	0.247	0.917	-0.691	-0.782
ZINC03815100	378	24.578	-1.242	-0.269	-3.834	-2.754	4.343	0.172	-1.279	0.334	0.397	0.402	-0.66	-0.366	1.012	0.385	0.06	-0.986	-0.711	1.471	-0.04	-0.014	-0.733	-0.35	0.716	0.095	-0.021	-0.369	0.067	0.006	0.03	-0.167	316.466	22.449	-3.963	1.092	-3.793	-0.069	3.616	-0.096	-2.451	0.764	-0.108	1.752	-1.09	-0.861	0.68	0.23	0.636	-0.811	-0.91	1.056	-0.131	-0.125	-0.389	-0.258	0.73	0.121	-0.065	-0.589	0.326	0.229	0.033	-0.352	195.299	17.204	-1.819	-0.401	-2.966	-0.336	3.208	-0.545	-1.514	0.244	0.334	1.017	-0.789	-0.682	0.856	0.227	0.25	-0.671	-0.5	0.836	-0.03	-0.084	-0.476	-0.042	0.533	-0.012	-0.118	-0.275	0.165	0.123	-0.109	-0.19	394.469	25.991	-1.639	-0.113	-4.224	-2.739	4.607	0.111	-1.452	0.361	0.36	0.608	-0.738	-0.496	1.122	0.397	0.158	-0.999	-0.871	1.556	-0.024	0.006	-0.743	-0.415	0.735	0.128	-0.018	-0.399	0.075	0.028	0.03	-0.2	209.274	16.949	-1.724	-0.294	-2.718	-0.635	2.996	-0.285	-1.407	0.319	0.333	0.78	-0.713	-0.465	0.728	0.24	0.13	-0.659	-0.409	0.838	-0.071	-0.092	-0.476	-0.03	0.526	-0.008	-0.1	-0.272	0.162	0.092	-0.094	-0.162	483.124	29.32	-1.66	0.165	-4.755	-3.783	5.153	0.353	-1.299	0.466	0.332	0.362	-0.719	-0.394	1.247	0.453	0.14	-1.17	-1.024	1.879	-0.03	0.034	-0.821	-0.576	0.789	0.175	0.033	-0.429	0.053	-0.036	0.059	-0.187	1307.302	95.075	-9.776	0.296	-16.637	-7.692	17.922	-1.462	-7.181	1.646	-0.085	4.753	-3.066	-3.65	4.984	1.434	1.41	-3.245	-4.135	5.116	0.315	0.136	-2.574	-1.569	2.478	0.576	0.053	-1.608	0.509	0.42	-0.056	-1.011
ZINC03815101	378	25.15	-1.589	-0.412	-3.779	-2.749	4.215	-0.007	-1.159	0.087	0.309	0.506	-0.656	-0.146	0.963	0.533	0.085	-1.075	-0.624	1.353	0.041	-0.046	-0.604	-0.503	0.695	0.16	0.113	-0.289	-0.079	0.104	-0.003	-0.027	316.466	22.13	-3.769	1.051	-3.807	-0.024	3.812	-0.368	-2.394	0.668	-0.262	2.021	-1.146	-0.69	0.558	0.223	0.538	-0.81	-0.784	1.071	-0.054	-0.155	-0.321	-0.421	0.698	0.269	0.002	-0.49	0.361	0.228	-0.139	-0.204	195.299	17.212	-1.941	-0.325	-3.01	-0.299	3.167	-0.62	-1.448	0.164	0.338	1.041	-0.802	-0.56	0.82	0.275	0.205	-0.704	-0.444	0.793	-0.036	-0.106	-0.381	-0.155	0.531	0.021	-0.09	-0.22	0.139	0.217	-0.136	-0.105	394.469	26.408	-1.822	-0.286	-4.167	-2.738	4.494	-0.105	-1.351	0.102	0.256	0.756	-0.759	-0.266	1.061	0.544	0.198	-1.104	-0.756	1.436	0.075	-0.032	-0.625	-0.563	0.709	0.206	0.114	-0.316	-0.069	0.142	-0.002	-0.06	209.274	17.009	-1.944	-0.207	-2.784	-0.596	2.944	-0.353	-1.318	0.211	0.346	0.777	-0.692	-0.351	0.692	0.306	0.074	-0.689	-0.373	0.788	-0.076	-0.123	-0.378	-0.152	0.525	0.01	-0.057	-0.212	0.134	0.168	-0.136	-0.065	483.124	29.996	-1.842	-0.12	-4.668	-3.765	4.999	0.068	-1.183	0.116	0.184	0.563	-0.744	-0.114	1.174	0.647	0.222	-1.304	-0.87	1.715	0.117	0.013	-0.697	-0.738	0.746	0.273	0.216	-0.347	-0.146	0.083	0.032	-0.02	1307.302	94.374	-8.444	-0.352	-16.803	-7.232	17.618	-2.224	-6.881	0.856	-0.428	5.97	-3.586	-2.841	4.762	1.473	1.817	-3.674	-3.538	4.915	0.698	0.046	-2.219	-1.997	2.4	1.167	0.278	-1.244	0.061	0.979	-0.031	-0.642
ZINC00020362	496	30.397	-2.166	-0.705	-4.517	-2.367	4.315	0.819	-1.331	0.236	-0.106	0.206	-0.54	0.316	0.962	0.287	-0.053	-1.322	-0.284	1.646	-0.392	0.026	-0.919	-0.201	0.775	0.208	-0.161	-0.453	0.119	0.07	0.236	-0.028	345.4	18.3	-4.184	-1.555	-4.002	1.521	3.436	-0.229	-2.399	0.285	-0.427	1.885	-1.159	-0.396	1.166	0.118	0.341	-0.972	-0.674	1.076	-0.164	0.009	-0.464	-0.239	0.532	-0.008	-0.096	-0.651	0.512	0.142	-0.127	-0.288	237.613	18.362	-1.908	-0.728	-3.463	0.104	3.228	-0.543	-1.552	0.298	0.138	1.03	-0.912	-0.435	1.052	0.077	0.242	-0.883	-0.378	0.989	-0.192	-0.068	-0.54	0.036	0.552	-0.067	-0.166	-0.276	0.246	0.117	-0.11	-0.171	504.386	30.948	-2.394	-0.736	-4.781	-2.21	4.571	0.723	-1.528	0.234	-0.084	0.398	-0.642	0.206	1.065	0.284	0.042	-1.331	-0.45	1.71	-0.374	0.044	-0.917	-0.262	0.789	0.219	-0.187	-0.469	0.157	0.092	0.215	-0.052	264.05	18.656	-1.869	-0.698	-3.335	-0.226	3.022	-0.185	-1.428	0.316	0.105	0.77	-0.789	-0.167	0.908	0.121	0.091	-0.884	-0.27	1.001	-0.228	-0.077	-0.567	0.037	0.56	-0.047	-0.145	-0.293	0.223	0.078	-0.069	-0.134	627.315	36.477	-2.974	-0.487	-5.321	-3.251	5.05	1.226	-1.4	0.226	-0.241	0.115	-0.516	0.472	1.056	0.368	-0.011	-1.551	-0.44	2.005	-0.474	0.099	-1.031	-0.38	0.835	0.353	-0.189	-0.542	0.144	0.073	0.334	0.021	1444.927	94.782	-8.752	-3.027	-17.256	-2.69	16.764	-0.284	-7.123	1.056	-0.549	4.405	-3.365	-1.473	4.915	0.366	1.315	-4.194	-2.851	5.551	-0.998	0.17	-2.818	-0.939	2.642	0.455	-0.784	-1.617	0.888	0.613	0.286	-0.656
ZINC03815232	465	26.344	-1.696	0.645	-4.408	-1.976	3.161	0.456	-0.816	-0.192	0.461	0.33	-0.426	-0.104	1.079	0.37	-0.255	-1.215	-0.259	1.881	-0.338	-0.245	-0.75	-0.376	1.124	0.105	-0.052	-0.503	0.032	0.339	0.106	-0.139	347.443	19.903	-3.686	1.321	-3.888	1.848	3.139	-0.653	-2.571	1.093	-0.267	2.282	-1.323	-0.933	0.894	0.075	0.429	-0.881	-0.769	1.405	0.078	-0.26	-0.417	-0.261	0.787	0.043	-0.078	-0.393	0.487	0.33	-0.201	-0.318	230.907	17.581	-1.734	0.179	-3.308	0.437	2.838	-0.691	-1.33	0.441	0.164	1.087	-0.869	-0.694	1.078	0.143	0.167	-0.793	-0.34	1.142	-0.168	-0.164	-0.475	-0.026	0.756	-0.147	-0.181	-0.173	0.256	0.266	-0.168	-0.154	479.926	27.764	-2.204	0.786	-4.636	-1.82	3.477	0.346	-1.101	-0.118	0.456	0.556	-0.521	-0.245	1.186	0.379	-0.149	-1.199	-0.438	1.984	-0.293	-0.282	-0.714	-0.435	1.159	0.157	-0.098	-0.526	0.074	0.382	0.053	-0.16	251.454	17.234	-1.571	0.425	-3.191	0.09	2.52	-0.373	-1.168	0.355	0.193	0.854	-0.773	-0.433	0.929	0.174	0.017	-0.822	-0.23	1.153	-0.22	-0.15	-0.51	-0.024	0.747	-0.134	-0.125	-0.208	0.233	0.229	-0.105	-0.126	582.584	31.168	-2.484	1.219	-5.178	-2.717	3.525	0.754	-0.774	-0.416	0.595	0.276	-0.336	-0.064	1.169	0.467	-0.292	-1.349	-0.455	2.265	-0.36	-0.32	-0.784	-0.625	1.283	0.27	-0.018	-0.674	-0.031	0.432	0.14	-0.165	1442.427	92.785	-9.163	2.968	-17.19	-1.64	14.612	-1.587	-6.131	1.21	0.113	5.321	-2.902	-3.217	5.091	0.802	0.839	-3.312	-3.002	6.59	-0.278	-1.087	-2.034	-1.571	3.897	0.634	-0.899	-1.527	0.684	1.546	-0.301	-0.812
ZINC03815097	1275	51.971	-13.364	10.175	-10.131	-1.719	1.213	1.968	2.922	-0.725	-0.227	-4.536	1.094	3.318	0.34	-0.597	-1.307	-2.242	1.778	2.588	-1.74	0.117	-0.465	-0.379	0.329	0.715	0.371	-0.115	-1.627	-0.001	1.193	0.13	263.696	19.758	-3.763	-0.581	-3.471	3.381	1.622	-2.37	-0.194	1.743	0.186	-0.742	-1.116	0.997	0.775	-0.781	-0.539	-0.257	0.914	-0.122	-0.76	0.162	0.372	-0.024	-0.349	-0.074	0.298	0.108	-0.25	-0.248	0.206	0.143	353.285	23.122	-4.061	0.957	-3.936	1.839	1.29	-0.965	0.261	0.895	0.246	-1.649	-0.393	1.413	0.484	-0.732	-0.648	-0.481	1.029	0.176	-0.717	0.227	0.041	-0.133	-0.076	0.185	0.274	-0.074	-0.451	-0.117	0.436	0.038	1225.178	51.875	-12.879	9.549	-9.957	-1.387	1.368	1.669	2.66	-0.499	0.041	-4.548	0.919	3.23	0.551	-0.624	-1.299	-2.178	1.708	2.499	-1.705	0.101	-0.339	-0.418	0.268	0.65	0.37	-0.038	-1.495	-0.114	1.104	0.203	437.081	25.979	-4.643	1.998	-4.459	1.069	1.201	-0.275	0.572	0.515	0.187	-2.11	-0.024	1.659	0.371	-0.73	-0.747	-0.646	1.14	0.415	-0.766	0.233	-0.129	-0.165	0.058	0.308	0.262	-0.146	-0.61	-0.05	0.581	-0.006	1699.695	63.911	-18.451	14.512	-12.918	-2.648	1.229	2.489	4.141	-1.099	-0.371	-5.523	1.346	4.075	0.414	-0.447	-1.44	-3.037	1.9	3.662	-2.238	0.07	-0.386	-0.565	0.285	0.862	0.467	-0.023	-2.015	-0.081	1.356	0.269	2129.654	103.516	-20.966	14.308	-19.75	0.226	4.281	0.93	3.858	1.06	1.03	-8.659	0.471	5.902	2.88	-1.903	-2.786	-3.803	3.177	4.293	-3.259	-0.144	0.11	-0.898	0.038	0.822	0.729	0.393	-2.141	-1.077	1.75	0.929
ZINC03815163	465	26.578	-1.976	1.749	-4.579	-2.294	3.5	0.106	-1.039	-0.031	0.298	0.577	-0.81	-0.131	0.95	0.386	0.004	-1.206	-0.378	1.413	0.052	-0.066	-0.859	-0.319	0.858	0.077	0.044	-0.365	0.147	0.162	-0.016	-0.126	347.492	19.915	-3.632	1.339	-3.98	1.811	3.202	-0.574	-2.646	0.997	-0.241	2.358	-1.31	-1.042	0.741	0.134	0.521	-0.902	-0.832	1.296	0.168	-0.215	-0.507	-0.219	0.723	0.09	-0.05	-0.474	0.549	0.38	-0.234	-0.343	226.748	17.57	-1.836	0.249	-3.27	0.353	2.963	-0.722	-1.417	0.449	0.132	1.16	-0.925	-0.759	0.981	0.188	0.231	-0.804	-0.374	0.989	-0.064	-0.128	-0.505	0.003	0.648	-0.131	-0.125	-0.198	0.273	0.259	-0.194	-0.138	479.731	28.014	-2.109	1.83	-4.913	-2.17	3.718	0.085	-1.193	0.043	0.256	0.786	-0.9	-0.306	1.079	0.395	0.066	-1.215	-0.558	1.526	0.113	-0.082	-0.859	-0.385	0.878	0.124	0.037	-0.407	0.168	0.219	-0.06	-0.156	247.01	17.324	-1.841	0.5	-3.136	0.02	2.746	-0.474	-1.341	0.384	0.162	0.961	-0.866	-0.503	0.818	0.235	0.12	-0.831	-0.267	0.968	-0.093	-0.118	-0.522	0.019	0.623	-0.127	-0.077	-0.21	0.271	0.205	-0.152	-0.118	595.129	32.603	-2.467	2.752	-5.662	-3.302	3.963	0.367	-0.962	-0.154	0.344	0.574	-0.917	-0.058	1.138	0.453	0.02	-1.383	-0.639	1.724	0.192	-0.074	-0.985	-0.57	0.951	0.239	0.097	-0.458	0.132	0.17	-0.024	-0.155	1494.677	96.748	-6.363	5.095	-19.178	-2.565	13.994	-1.376	-5.813	1.546	-0.223	5.343	-3.824	-3.749	5.048	0.892	1.103	-3.754	-3.367	5.949	0.637	-0.484	-2.692	-1.391	3.054	0.653	-0.182	-1.563	0.933	1.25	-0.701	-0.75
ZINC03815162	528	29.627	-2.598	1.331	-4.86	-2.703	3.803	0.455	-1.147	0.183	-0.203	0.096	-0.546	-0.055	0.832	0.425	-0.515	-1.52	0.054	1.535	-0.488	0.029	-0.769	-0.482	1.031	0.009	-0.093	-0.329	0.061	0.132	-0.117	-0.1	343.314	17.804	-4.416	-0.858	-4.076	1.922	3.131	-0.564	-2.308	0.947	-0.585	1.803	-1.206	-0.721	1.328	0.442	0.312	-1.114	-0.551	1.178	-0.104	-0.172	-0.312	-0.398	0.594	-0.319	-0.115	-0.388	0.461	0.202	-0.354	-0.257	248.733	18.273	-2.059	-0.09	-3.611	0.482	3.03	-0.737	-1.425	0.579	0.002	0.934	-0.971	-0.625	1.058	0.174	0.104	-1.014	-0.158	0.97	-0.277	-0.117	-0.493	-0.044	0.66	-0.309	-0.154	-0.076	0.194	0.231	-0.299	-0.113	529.651	30.094	-2.804	1.294	-5.057	-2.468	3.99	0.392	-1.315	0.244	-0.18	0.271	-0.643	-0.169	0.927	0.448	-0.42	-1.494	-0.102	1.586	-0.439	0.016	-0.744	-0.538	1.037	0.019	-0.12	-0.337	0.074	0.164	-0.146	-0.115	281.662	18.791	-2.047	0.05	-3.59	0.024	2.806	-0.421	-1.32	0.509	-0.03	0.692	-0.859	-0.379	0.911	0.242	-0.055	-1.05	-0.045	0.995	-0.323	-0.113	-0.53	-0.073	0.671	-0.285	-0.134	-0.113	0.184	0.174	-0.262	-0.102	660.342	35.396	-3.592	2.275	-5.651	-3.792	4.346	0.795	-1.159	0.108	-0.276	-0.01	-0.515	-0.002	0.883	0.549	-0.63	-1.737	-0.048	1.826	-0.538	0.088	-0.796	-0.767	1.168	0.192	-0.107	-0.446	0.06	0.125	-0.128	-0.107	1446.927	89.973	-8.842	1.81	-17.434	-2.126	14.728	-1.022	-6.05	1.811	-1.013	3.922	-3.26	-2.473	4.344	1.02	0.078	-4.178	-1.79	5.129	-0.817	-0.322	-2.042	-1.572	3.189	-0.271	-0.675	-0.95	0.458	1.006	-0.698	-0.557
ZINC03815029	496	30.175	-2.384	0.488	-4.852	-2.176	3.616	0.743	-0.808	0.143	0.143	0.483	-0.383	0.191	1.018	0.542	-0.292	-1.252	-0.283	1.609	-0.188	0.031	-0.726	-0.434	0.664	0.174	-0.199	-0.51	0.1	0.034	0.133	-0.065	345.4	18.722	-4.097	-0.968	-4.118	2.005	3.277	-0.273	-2.278	0.932	-0.814	2.197	-1.161	-0.37	0.956	0.65	0.467	-1.006	-0.95	1.378	0.022	-0.027	-0.379	-0.455	0.358	-0.048	-0.164	-0.537	0.391	0.213	-0.173	-0.399	237.613	18.39	-1.999	-0.19	-3.383	0.415	2.982	-0.583	-1.275	0.46	0.071	1.06	-0.821	-0.49	0.952	0.271	0.16	-0.803	-0.41	1.003	-0.081	-0.075	-0.446	-0.142	0.51	-0.095	-0.172	-0.217	0.199	0.174	-0.141	-0.136	504.386	30.804	-2.513	0.487	-5.103	-2.023	3.865	0.638	-1.058	0.188	0.098	0.664	-0.482	0.076	1.076	0.555	-0.187	-1.261	-0.446	1.676	-0.135	0.039	-0.708	-0.517	0.663	0.214	-0.227	-0.541	0.126	0.054	0.102	-0.078	264.05	18.614	-2.053	-0.107	-3.353	0.051	2.705	-0.239	-1.118	0.433	0.061	0.853	-0.708	-0.216	0.861	0.346	0.019	-0.82	-0.314	1.037	-0.149	-0.078	-0.481	-0.133	0.486	-0.107	-0.145	-0.233	0.179	0.129	-0.1	-0.122	627.315	36.304	-3.093	1.014	-5.852	-3.057	4.176	1.13	-0.835	0.122	0.13	0.487	-0.316	0.313	1.144	0.676	-0.338	-1.47	-0.42	1.941	-0.165	0.096	-0.777	-0.684	0.69	0.363	-0.264	-0.674	0.133	-0.014	0.175	-0.048	1444.927	94.691	-7.922	0.216	-17.393	-2.153	15.201	-0.622	-6.052	1.385	-0.824	5.081	-2.97	-1.829	4.18	1.409	0.707	-3.673	-2.937	5.479	0.204	-0.048	-1.97	-1.925	2.112	0.837	-0.974	-1.884	0.657	0.516	0.009	-0.439
ZINC03815037	1128	49.662	-12.5	9.249	-9.862	-0.607	1.18	1.517	1.671	-0.418	0.014	-3.72	-0.244	3.537	-0.052	-0.688	-1.177	-1.612	1.731	2.306	-1.528	-0.15	-0.5	-0.407	0.215	0.567	0.248	-0.215	-1.239	0.127	1.089	0.333	383.245	21.318	-5.467	1.277	-3.95	4.467	0.354	-1.598	-1.251	1.548	-0.329	-0.104	-0.958	0.778	0.734	-0.765	-0.277	-0.465	1.175	-0.21	-0.319	-0.19	0.261	-0.361	-0.232	-0.11	0.182	0.234	-0.333	0.04	0.071	0.404	339.664	22.172	-4.324	1.253	-3.854	1.915	0.934	-0.924	-0.17	0.838	0.103	-1.275	-0.593	1.386	0.445	-0.708	-0.54	-0.389	0.97	0.157	-0.6	0.053	0.058	-0.254	-0.106	0.144	0.183	-0.036	-0.431	-0.045	0.42	0.153	1097.132	49.703	-12.356	8.814	-9.706	-0.332	1.236	1.328	1.465	-0.229	0.223	-3.704	-0.354	3.447	0.135	-0.687	-1.176	-1.603	1.692	2.232	-1.51	-0.156	-0.38	-0.447	0.167	0.514	0.263	-0.15	-1.137	0.013	1.019	0.399	424.137	24.83	-5.011	2.367	-4.465	1.367	0.765	-0.27	0.004	0.552	0.032	-1.593	-0.371	1.687	0.262	-0.703	-0.617	-0.497	1.073	0.354	-0.631	0.027	-0.101	-0.287	0.003	0.264	0.147	-0.108	-0.559	0.044	0.551	0.134	1497.771	61.446	-17.17	13.144	-12.6	-1.069	1.31	2.02	2.475	-0.669	0.051	-4.545	-0.46	4.356	-0.114	-0.603	-1.323	-2.216	1.927	3.291	-1.986	-0.236	-0.499	-0.531	0.195	0.644	0.372	-0.208	-1.443	0.088	1.218	0.496	1983.404	98.761	-22.257	14.143	-18.74	1.998	3.383	0.84	1.358	1.236	0.943	-6.579	-1.596	6.039	1.83	-1.613	-2.529	-2.955	3.26	3.877	-2.839	-0.606	0.12	-1.148	-0.003	0.61	0.567	0.232	-1.697	-0.802	1.636	1.319
ZINC03815038	435	25.891	-1.726	0.542	-4.362	-2.347	4.083	-0.135	-1.009	0.254	0.206	0.671	-1.064	-0.428	1.378	0.589	-0.228	-1.059	-0.41	1.086	-0.449	0.329	-0.791	-0.471	1.143	-0.289	-0.257	-0.188	0.173	0.2	-0.127	-0.228	349.493	17.574	-4.549	-0.79	-4.109	2.17	3.351	-0.648	-2.159	0.859	-0.699	2.228	-1.179	-0.926	1.682	0.374	0.57	-0.968	-0.844	1.305	-0.102	-0.064	-0.392	-0.452	0.681	-0.321	-0.17	-0.486	0.435	0.244	-0.365	-0.408	224.296	17.933	-2.139	-0.274	-3.383	0.548	3.127	-0.88	-1.359	0.518	0.01	1.219	-1.017	-0.802	1.284	0.174	0.262	-0.881	-0.347	0.926	-0.264	-0.007	-0.56	-0.059	0.716	-0.347	-0.206	-0.082	0.181	0.275	-0.291	-0.206	456.066	27.176	-2.093	0.83	-4.884	-2.177	4.342	-0.254	-1.118	0.34	0.102	0.877	-1.173	-0.61	1.592	0.607	-0.063	-1.041	-0.643	1.188	-0.409	0.368	-0.761	-0.531	1.182	-0.3	-0.276	-0.205	0.185	0.275	-0.159	-0.291	239.162	17.796	-2.024	-0.252	-3.175	0.176	2.849	-0.577	-1.24	0.455	0.072	0.984	-0.935	-0.542	1.113	0.273	0.079	-0.888	-0.22	0.881	-0.299	-0.007	-0.58	-0.077	0.7	-0.339	-0.193	-0.096	0.19	0.2	-0.261	-0.173	539.514	29.716	-2.138	1.26	-5.218	-3.312	4.712	0.01	-0.948	0.19	0.243	0.65	-1.221	-0.427	1.557	0.764	-0.303	-1.118	-0.632	1.207	-0.476	0.468	-0.803	-0.722	1.313	-0.227	-0.32	-0.258	0.208	0.227	-0.123	-0.263	1654.972	99.418	-14.067	6.36	-22.299	-1.704	16.971	-3.132	-5.41	2.248	-1.525	6.079	-4.314	-5.526	8.734	1.342	2.665	-2.765	-5.129	5.6	-1.334	1.899	-2.285	-1.827	4.462	-1.469	-0.766	-1.057	0.939	1.65	-0.772	-1.764
ZINC03815411	496	26.176	-1.797	-0.196	-4.432	-2.243	3.603	-0.005	-1.11	-0.026	-0.372	0.076	-0.598	-0.171	0.837	0.104	-0.476	-1.41	0.061	1.811	-0.486	0.004	-0.962	-0.218	1.04	-0.017	0.148	-0.431	-0.105	0.286	0.162	0.032	345.351	17.37	-4.478	-0.836	-4.294	2.384	2.773	-0.601	-2.167	0.527	-0.573	1.524	-1.137	-0.456	0.982	0.092	0.286	-1.011	-0.433	1.286	-0.278	-0.132	-0.42	-0.165	0.716	-0.469	-0.136	-0.372	0.302	0.393	-0.384	-0.211	241.873	16.619	-1.986	-0.172	-3.61	0.625	2.718	-0.808	-1.348	0.305	-0.059	0.823	-0.943	-0.611	0.952	0.012	0.076	-0.968	-0.073	1.019	-0.313	-0.096	-0.574	0.013	0.685	-0.3	-0.119	-0.136	0.091	0.34	-0.232	-0.066	504.586	26.502	-2.377	-0.219	-4.662	-1.921	3.704	-0.101	-1.326	-0.025	-0.33	0.24	-0.69	-0.264	0.89	0.118	-0.414	-1.404	-0.072	1.897	-0.482	-0.024	-0.926	-0.271	1.09	-0.033	0.124	-0.446	-0.087	0.347	0.109	0.021	268.649	17.098	-1.814	-0.071	-3.491	0.137	2.584	-0.502	-1.195	0.233	-0.104	0.602	-0.832	-0.375	0.833	0.051	-0.042	-0.968	0.014	1.041	-0.332	-0.074	-0.634	0.026	0.654	-0.25	-0.091	-0.17	0.074	0.275	-0.162	-0.051	614.429	30.262	-2.528	0.012	-5.084	-3.163	4.11	0.092	-1.185	-0.098	-0.498	0.014	-0.595	-0.147	0.872	0.142	-0.621	-1.603	-0.032	2.187	-0.551	0.031	-1.023	-0.367	1.171	0.124	0.253	-0.583	-0.154	0.315	0.263	0.059	1444.427	79.56	-10.175	-0.842	-17.351	-0.042	13.002	-2.393	-6.072	0.515	-1.31	3.264	-3.273	-2.549	3.778	0.236	-0.352	-4.096	-1.348	5.946	-1.188	-0.412	-2.639	-1.034	3.74	-0.548	-0.212	-1.164	-0.038	1.755	-0.237	-0.187
ZINC03815159	435	25.137	-1.724	0.638	-4.407	-2.041	3.28	0.036	-0.609	-0.018	0.178	0.266	-0.835	0.097	1.084	0.451	-0.249	-1.398	-0.354	1.413	-0.161	0.137	-0.861	-0.427	0.856	-0.206	-0.057	-0.136	0.019	0.067	-0.041	-0.214	387.497	16.61	-5.279	-0.389	-4.51	3.441	2.292	-0.232	-1.79	0.218	-0.813	1.823	-1.19	-0.492	1.49	0.575	0.457	-1.06	-0.98	1.505	-0.225	-0.077	-0.277	-0.52	0.586	-0.395	-0.223	-0.529	0.424	0.151	-0.099	-0.356	233.081	17.578	-2.239	0.034	-3.511	0.89	2.598	-0.779	-1.134	0.276	0.091	1.027	-0.969	-0.611	1.136	0.189	0.243	-0.942	-0.361	1.032	-0.237	-0.051	-0.53	-0.085	0.616	-0.333	-0.167	-0.071	0.16	0.204	-0.222	-0.179	449.342	25.665	-2.049	0.873	-4.779	-1.705	3.331	-0.019	-0.728	-0.014	0.094	0.426	-0.944	-0.012	1.195	0.471	-0.158	-1.384	-0.51	1.488	-0.12	0.145	-0.843	-0.492	0.857	-0.177	-0.069	-0.176	0.02	0.093	-0.046	-0.243	260.172	17.839	-2.238	0.103	-3.453	0.544	2.358	-0.498	-0.983	0.227	0.146	0.807	-0.878	-0.358	1.021	0.269	0.113	-0.983	-0.278	1.054	-0.284	-0.041	-0.552	-0.104	0.61	-0.351	-0.143	-0.08	0.151	0.15	-0.195	-0.168	540.267	28.956	-2.001	1.251	-5.328	-2.957	3.686	0.226	-0.458	-0.113	0.079	0.144	-0.955	0.26	1.235	0.568	-0.353	-1.592	-0.552	1.65	-0.056	0.222	-0.947	-0.667	0.938	-0.097	-0.035	-0.188	-0.007	0.026	-0.012	-0.255	1452.961	83.471	-9.481	4.277	-18.627	1.157	11.328	-1.441	-4.371	0.354	-1.608	4.304	-4.518	-1.98	5.411	1.383	0.926	-3.879	-3.417	5.46	-0.108	0.456	-2.346	-1.931	2.717	-0.49	-0.432	-1.03	0.205	0.507	-0.012	-1.164
ZINC03815042	1128	49.579	-11.563	8.448	-8.753	-1.65	2.318	1.808	1.817	-0.805	-0.141	-3.646	0.46	3.252	-0.073	-0.351	-1.425	-1.805	1.328	1.955	-1.392	0.024	-0.358	-0.632	0.666	0.673	0.406	-0.286	-1.202	-0.026	1.023	0.397	301.128	20.937	-4.975	0.226	-3.627	4.007	1.121	-2.202	-0.21	1.245	0.248	-0.207	-1.296	0.726	0.714	-0.747	-0.65	-0.16	0.566	0.181	-0.975	0.072	0.342	-0.088	-0.21	-0.148	0.468	-0.036	-0.094	-0.125	0.183	0.231	334.689	22.472	-4.188	0.742	-3.753	1.819	1.171	-0.89	0.016	0.731	0.233	-1.137	-0.592	1.364	0.33	-0.65	-0.678	-0.396	0.805	0.232	-0.796	0.168	0.014	-0.21	-0.001	0.122	0.33	-0.167	-0.307	-0.077	0.412	0.163	1101.5	49.778	-11.74	8.357	-8.804	-1.248	2.273	1.575	1.552	-0.621	0.126	-3.661	0.284	3.132	0.087	-0.391	-1.384	-1.8	1.231	1.952	-1.447	0.011	-0.264	-0.683	0.608	0.591	0.427	-0.199	-1.09	-0.124	0.943	0.461	410.4	25.129	-4.534	1.466	-4.209	1.1	1.184	-0.245	0.316	0.398	0.17	-1.556	-0.258	1.605	0.212	-0.633	-0.767	-0.538	0.896	0.388	-0.785	0.16	-0.11	-0.253	0.111	0.248	0.32	-0.258	-0.43	-0.014	0.525	0.151	1503.328	61.185	-16.175	12.713	-11.12	-2.442	2.75	2.34	2.541	-1.279	-0.182	-4.535	0.547	3.907	-0.142	-0.144	-1.647	-2.438	1.33	2.766	-1.743	-0.047	-0.281	-0.939	0.846	0.817	0.508	-0.201	-1.485	-0.128	1.14	0.579	2066.431	100.898	-24.323	15.599	-18.278	1.364	4.466	1.024	1.229	0.261	1.467	-6.464	-1.053	5.117	1.589	-1.417	-2.628	-3.269	1.7	3.902	-3.244	-0.33	0.15	-1.572	0.81	0.523	1.049	0.169	-1.448	-0.811	1.357	1.347
ZINC03815286	496	26.418	-2.673	0.228	-4.746	-2.452	3.341	0.158	-0.831	-0.18	-0.342	0.457	-0.646	-0.256	1.345	0.208	-0.536	-1.465	0.081	1.778	-0.562	0.111	-0.87	-0.293	1.012	-0.03	0.029	-0.406	-0.097	0.243	0.086	0	345.351	16.691	-4.096	-0.975	-4.41	2.413	2.84	-0.47	-2.114	0.673	-0.598	1.836	-1.119	-0.616	1.544	0.261	0.328	-1.17	-0.519	1.372	-0.173	-0.096	-0.402	-0.43	0.727	-0.408	-0.13	-0.425	0.357	0.305	-0.442	-0.33	241.873	16.942	-2.207	-0.206	-3.665	0.617	2.778	-0.808	-1.296	0.428	-0.039	0.991	-0.937	-0.656	1.307	0.058	0.122	-1.007	-0.152	1.035	-0.268	-0.039	-0.573	-0.012	0.701	-0.342	-0.136	-0.102	0.104	0.306	-0.307	-0.083	504.586	26.894	-3.02	0.287	-5.011	-2.198	3.477	0.13	-1.099	-0.183	-0.275	0.597	-0.764	-0.37	1.469	0.178	-0.438	-1.445	-0.072	1.873	-0.551	0.102	-0.837	-0.34	1.031	-0.034	0.008	-0.439	-0.058	0.291	0.024	-0.02	268.649	17.114	-2.254	-0.155	-3.577	0.134	2.572	-0.51	-1.139	0.37	-0.102	0.8	-0.801	-0.406	1.179	0.136	-0.034	-1.027	-0.036	1.045	-0.308	-0.029	-0.613	-0.037	0.688	-0.303	-0.1	-0.142	0.073	0.243	-0.231	-0.065	614.429	30.761	-3.518	0.738	-5.465	-3.401	3.724	0.402	-0.804	-0.412	-0.494	0.475	-0.68	-0.292	1.48	0.239	-0.705	-1.646	0.023	2.145	-0.677	0.162	-0.891	-0.474	1.109	0.133	0.075	-0.561	-0.119	0.269	0.17	0.018	1444.427	81.922	-10.314	0.347	-18.288	-0.787	12.727	-1.513	-5.933	0.454	-0.746	4.136	-3.582	-2.999	6.16	0.062	-0.014	-4.143	-1.666	6.119	-1.249	0.124	-2.439	-1.06	3.384	-0.599	-0.384	-1.331	0.213	1.435	-0.672	-0.385
ZINC03815284	1176	47.102	-12.719	7.913	-8.793	-3.15	3.558	1.075	2.196	-0.298	-0.321	-3.651	0.327	3.542	0.307	-0.421	-1.182	-1.667	1.556	2.158	-1.342	0.162	-0.725	-0.262	0.37	0.864	0.168	-0.103	-1.255	0.008	0.761	0.204	267.173	19.456	-4.318	-1.095	-3.4	2.432	2.309	-2.414	-0.723	1.561	0.025	-0.5	-1.271	0.969	0.827	-0.811	-0.48	-0.329	0.821	0.104	-0.66	0.062	0.155	0.079	-0.067	-0.105	0.245	0.109	-0.131	-0.166	0.142	0.189	332.041	21.537	-4.537	0.151	-3.489	0.98	1.84	-1.075	-0.162	0.844	0.082	-1.246	-0.66	1.501	0.463	-0.758	-0.514	-0.417	0.932	0.26	-0.628	0.211	-0.11	-0.062	0.048	0.172	0.221	-0.081	-0.342	-0.045	0.307	0.102	1149.086	47.97	-12.658	7.536	-8.945	-2.816	3.679	0.878	1.877	-0.166	-0.037	-3.731	0.105	3.457	0.472	-0.504	-1.166	-1.71	1.465	2.173	-1.328	0.102	-0.58	-0.283	0.332	0.798	0.169	-0.062	-1.117	-0.073	0.637	0.283	399.365	23.49	-4.986	0.946	-3.771	0.201	1.804	-0.476	0.184	0.553	0.016	-1.609	-0.346	1.801	0.32	-0.736	-0.58	-0.497	1.042	0.402	-0.66	0.263	-0.272	-0.103	0.126	0.309	0.203	-0.15	-0.492	0.01	0.425	0.064	1573.457	57.851	-17.158	11.941	-11.532	-4.405	4.417	1.407	3.221	-0.551	-0.459	-4.507	0.414	4.26	0.408	-0.215	-1.381	-2.272	1.591	3.03	-1.656	0.102	-0.763	-0.386	0.326	1.08	0.229	-0.025	-1.504	-0.077	0.794	0.341	2188.154	103.044	-24.792	12.066	-20.592	-3.335	9.117	-0.364	1.729	1.555	0.882	-7.33	-1.712	6.139	2.51	-1.808	-2.487	-3.795	2.273	4.696	-2.492	-0.341	-0.331	-0.585	0.551	0.95	0.442	0.353	-1.246	-0.848	0.54	1.227
ZINC03815144	465	26.447	-1.575	-0.309	-4.328	-2.402	4.371	0.294	-0.849	-0.255	0.36	-0.081	-0.658	-0.087	0.964	0.186	-0.297	-1.132	-0.413	2.144	-0.385	-0.14	-0.868	-0.196	1.073	0.145	-0.201	-0.517	0.066	0.04	0.136	-0.186	347.443	23.315	-3.863	1.082	-4.115	0.437	3.555	-0.31	-2.266	0.872	-0.303	1.837	-1.289	-0.877	1.018	-0.146	0.69	-0.899	-0.84	1.408	-0.42	-0.285	-0.409	-0.059	0.828	-0.021	-0.255	-0.47	0.461	0.175	-0.056	-0.406	230.907	17.877	-1.908	-0.221	-3.239	0.063	3.12	-0.66	-1.295	0.29	0.185	0.955	-0.92	-0.623	1.104	-0.063	0.228	-0.823	-0.426	1.193	-0.264	-0.174	-0.529	0.07	0.674	-0.104	-0.23	-0.216	0.237	0.128	-0.131	-0.229	479.926	27.727	-2.168	-0.219	-4.694	-2.3	4.624	0.187	-1.099	-0.208	0.36	0.125	-0.788	-0.217	1.104	0.175	-0.164	-1.145	-0.581	2.254	-0.377	-0.171	-0.839	-0.24	1.093	0.169	-0.264	-0.531	0.113	0.053	0.096	-0.209	251.454	17.888	-1.644	-0.081	-3.06	-0.286	2.925	-0.309	-1.118	0.268	0.189	0.667	-0.786	-0.379	0.904	-0.029	0.068	-0.806	-0.33	1.212	-0.308	-0.161	-0.543	0.058	0.683	-0.078	-0.17	-0.247	0.203	0.091	-0.072	-0.196	582.584	30.804	-2.296	-0.014	-5.224	-3.239	5.115	0.475	-0.816	-0.467	0.416	-0.281	-0.677	-0.034	1.051	0.289	-0.347	-1.263	-0.596	2.667	-0.433	-0.124	-0.942	-0.364	1.226	0.279	-0.231	-0.668	0.048	0.02	0.178	-0.194	1442.427	93.742	-10.874	0.026	-17.86	-3.559	16.754	-1.817	-6.192	0.615	0.116	3.804	-3.892	-2.825	5.626	-0.111	1.227	-3.633	-3.27	7.349	-1.152	-0.784	-2.52	-0.795	3.56	0.278	-1.441	-1.54	0.767	0.423	-0.025	-1.04
ZINC03815183	496	28.563	-2.085	-0.141	-4.727	-2.184	3.699	0.458	-0.817	0.105	-0.022	0.298	-0.509	-0.054	1.119	0.256	-0.408	-1.425	-0.028	1.648	-0.453	-0.019	-0.911	-0.354	1.114	0.067	-0.122	-0.386	-0.028	0.062	0.071	-0.138	345.351	17.899	-4.152	-1.102	-4.189	2.302	3.203	-0.475	-2.043	0.657	-0.658	1.898	-1.192	-0.644	1.546	0.342	0.313	-1.126	-0.535	1.291	-0.065	-0.174	-0.369	-0.402	0.638	-0.292	-0.267	-0.442	0.464	0.214	-0.33	-0.29	241.873	18.362	-1.974	-0.319	-3.546	0.615	2.953	-0.726	-1.261	0.451	0.008	1.006	-0.933	-0.66	1.217	0.114	0.126	-1.006	-0.151	1.002	-0.232	-0.086	-0.582	-0.03	0.701	-0.264	-0.205	-0.103	0.156	0.236	-0.249	-0.127	504.586	29.437	-2.52	-0.074	-4.981	-1.961	3.935	0.375	-1.057	0.121	-0.018	0.46	-0.636	-0.17	1.23	0.268	-0.302	-1.422	-0.163	1.73	-0.42	-0.036	-0.88	-0.395	1.115	0.093	-0.16	-0.425	0.01	0.105	0.028	-0.154	268.649	18.508	-1.89	-0.304	-3.486	0.173	2.705	-0.385	-1.106	0.402	-0.008	0.783	-0.787	-0.397	1.089	0.165	-0.03	-1.019	-0.054	1.012	-0.268	-0.077	-0.624	-0.057	0.704	-0.239	-0.171	-0.129	0.13	0.17	-0.19	-0.116	614.429	33.327	-2.881	0.22	-5.511	-3.043	4.216	0.752	-0.775	0.01	-0.068	0.244	-0.487	0.037	1.185	0.31	-0.494	-1.591	-0.144	1.965	-0.515	-0.019	-0.949	-0.557	1.256	0.252	-0.136	-0.533	-0.051	0.024	0.13	-0.165	1444.427	92.58	-9.609	-0.782	-17.657	-0.897	14.88	-1.163	-5.689	1.152	-0.823	4.275	-3.622	-2.597	5.524	0.635	0.394	-4.208	-1.701	5.695	-0.787	-0.332	-2.502	-1.153	3.44	0.017	-0.955	-1.358	0.391	0.943	-0.438	-0.677
ZINC03813424	1128	49.99	-12.323	9.1	-8.149	-3.122	2.402	1.964	1.224	0.118	-0.006	-3.37	0.118	3.242	-0.082	-0.424	-1.432	-1.571	1.57	1.748	-1.479	0.203	-1.061	-0.397	0.532	0.478	0.427	-0.364	-1.224	0.027	0.958	0.265	383.245	23.073	-6.897	0	-4.151	3.203	1.135	-1.118	-1.43	2.078	0.133	-0.006	-1.503	1.202	0.916	-0.921	-0.198	-0.424	1.11	0.068	-0.495	-0.395	-0.053	-0.117	-0.149	0.004	0.316	0.132	-0.38	-0.102	-0.102	0.155	339.664	22.216	-4.699	0.634	-3.585	1.023	1.277	-0.61	-0.414	1.051	0.178	-1.157	-0.778	1.572	0.388	-0.644	-0.507	-0.462	0.992	0.125	-0.643	0.175	-0.27	-0.146	-0.043	0.114	0.299	-0.145	-0.422	-0.065	0.391	0.113	1097.132	50.062	-12.496	8.698	-8.204	-2.738	2.451	1.745	0.934	0.314	0.224	-3.397	-0.057	3.174	0.084	-0.436	-1.399	-1.583	1.508	1.748	-1.525	0.187	-0.958	-0.407	0.493	0.424	0.422	-0.306	-1.124	-0.094	0.875	0.322	424.137	25.068	-5.339	1.716	-3.973	0.281	1.194	0.124	-0.193	0.819	0.134	-1.483	-0.553	1.858	0.237	-0.642	-0.619	-0.569	1.092	0.259	-0.658	0.181	-0.446	-0.171	0.053	0.223	0.317	-0.227	-0.547	0.01	0.503	0.075	1497.771	61.865	-17.034	13.406	-10.4	-4.221	2.911	2.44	1.871	0.022	0.013	-4.1	0.201	3.778	-0.158	-0.229	-1.718	-2.079	1.605	2.52	-1.929	0.173	-1.174	-0.584	0.69	0.553	0.505	-0.364	-1.44	-0.067	1.031	0.418	1983.404	100.427	-25.105	13.462	-17.04	-2.309	5.573	1.431	-0.441	2.357	1.262	-6.06	-1.568	5.667	1.591	-1.198	-2.738	-2.969	2.761	3.519	-3.247	-0.125	-1.246	-0.86	0.729	0.443	0.701	-0.191	-1.684	-0.986	1.173	1.01
ZINC03815137	435	27.836	-1.21	-1.206	-4.376	-1.917	3.816	0.495	-0.954	-0.162	0.47	0.123	-0.428	-0.137	0.853	0.285	-0.033	-1.124	-0.566	1.63	-0.273	-0.251	-0.801	-0.359	0.835	0.136	-0.158	-0.535	0.103	0.062	0.179	0.018	349.542	19.019	-4.221	-1.648	-4.01	1.178	3.571	-0.233	-2.459	0.038	-0.298	1.897	-1.072	-0.645	0.986	0.255	0.281	-0.712	-0.845	1.064	-0.034	-0.163	-0.442	-0.375	0.597	0.143	-0.178	-0.654	0.425	0.095	-0.035	-0.275	220.198	17.585	-1.691	-0.804	-3.31	-0.058	3.123	-0.562	-1.408	0.072	0.279	1.005	-0.797	-0.619	0.916	0.144	0.201	-0.674	-0.474	0.913	-0.099	-0.191	-0.493	-0.084	0.548	-0.007	-0.213	-0.29	0.183	0.079	-0.064	-0.13	455.877	29.317	-1.761	-1.251	-4.64	-1.852	4.183	0.437	-1.272	-0.17	0.51	0.315	-0.538	-0.257	0.928	0.305	0.067	-1.148	-0.76	1.731	-0.247	-0.259	-0.789	-0.432	0.847	0.178	-0.193	-0.563	0.152	0.085	0.153	-0.006	234.83	17.157	-1.536	-0.718	-3.132	-0.284	2.793	-0.245	-1.178	0.102	0.237	0.736	-0.668	-0.365	0.792	0.142	0.065	-0.66	-0.354	0.905	-0.15	-0.189	-0.517	-0.076	0.548	-0.01	-0.185	-0.307	0.165	0.047	-0.027	-0.085	551.58	33.392	-1.861	-1.12	-5.138	-2.477	4.407	0.822	-0.984	-0.213	0.568	-0.009	-0.374	-0.126	0.933	0.342	0.039	-1.337	-0.836	2.067	-0.342	-0.277	-0.883	-0.559	0.949	0.24	-0.152	-0.666	0.124	0.07	0.244	0.048	1440.427	99.073	-10.181	-3.996	-17.137	-3.385	17.065	-0.982	-7.341	-0.191	0.806	4.388	-3.093	-3.002	4.487	0.765	1.193	-3.475	-3.973	5.734	-0.411	-0.812	-2.497	-1.622	2.774	0.71	-0.876	-1.838	0.922	0.445	0.225	-0.52
ZINC02391776	496	28.467	-1.658	0.379	-4.326	-3.076	4.149	-0.1	-0.733	-0.016	-0.13	0.273	-0.953	-0.245	1.565	0.295	-0.133	-1.367	-0.43	1.379	0.061	0.113	-0.869	-0.545	0.921	-0.184	0.08	-0.094	0.032	-0.027	-0.245	-0.231	345.4	17.552	-4.408	-0.803	-4.034	1.971	3.327	-0.572	-2.122	0.801	-0.746	2.138	-1.149	-0.844	1.625	0.39	0.498	-0.992	-0.822	1.258	0.032	-0.107	-0.397	-0.476	0.586	-0.234	-0.135	-0.518	0.396	0.204	-0.313	-0.347	237.613	18.357	-2.094	-0.251	-3.406	0.318	3.173	-0.827	-1.336	0.447	-0.043	1.127	-1.009	-0.758	1.308	0.133	0.282	-0.938	-0.366	0.96	-0.141	-0.052	-0.55	-0.086	0.635	-0.299	-0.123	-0.086	0.155	0.219	-0.282	-0.201	504.386	29.1	-1.83	0.528	-4.714	-2.905	4.331	-0.128	-0.877	0.061	-0.241	0.438	-1.026	-0.376	1.718	0.333	-0.055	-1.341	-0.615	1.455	0.127	0.133	-0.85	-0.618	0.911	-0.149	0.07	-0.132	0.041	0.003	-0.267	-0.255	264.05	18.622	-2.041	-0.209	-3.256	-0.103	2.953	-0.562	-1.204	0.38	0.002	0.879	-0.95	-0.505	1.196	0.198	0.143	-0.978	-0.261	0.961	-0.16	-0.057	-0.57	-0.106	0.636	-0.312	-0.085	-0.087	0.152	0.158	-0.266	-0.198	627.315	33.94	-1.828	1.004	-5.294	-4.379	4.818	0.065	-0.526	-0.115	-0.346	0.11	-1.06	-0.202	1.913	0.378	-0.203	-1.535	-0.699	1.643	0.251	0.212	-0.959	-0.867	1.009	-0.07	0.134	-0.113	0.016	-0.132	-0.324	-0.242	1558.138	95.935	-8.44	2.737	-19.32	-4.618	16.379	-1.746	-4.941	1.479	-2.609	4.573	-3.823	-3.722	7.674	1.089	1.294	-3.636	-4.206	5.406	0.842	0.646	-2.398	-2.341	2.872	-0.294	0.044	-0.843	0.393	0.477	-0.931	-1.025
ZINC03815060	1275	53.436	-11.311	9.642	-10.269	-3.377	1.322	1.514	2.287	-0.592	-0.489	-3.994	1.042	3.56	-0.13	-0.999	-1.528	-1.966	1.85	2.406	-1.505	0.124	-0.804	-0.579	0.636	0.478	0.467	-0.224	-1.419	-0.145	1.101	0.333	263.696	20.113	-4.101	-0.069	-3.732	2.023	1.645	-2.279	-0.775	1.523	0.387	-0.571	-1.255	1.083	0.727	-0.877	-0.463	-0.245	1.044	0	-0.601	0.078	0.287	-0.034	-0.207	-0.253	0.376	0.131	-0.088	-0.195	0.214	0.144	353.285	23.679	-3.788	1.143	-4.238	0.571	1.256	-0.989	-0.235	0.797	0.397	-1.463	-0.512	1.51	0.396	-0.847	-0.637	-0.427	1.154	0.21	-0.59	0.184	-0.068	-0.16	0.017	0.016	0.366	-0.084	-0.297	-0.111	0.438	0.092	1225.178	53.164	-11.225	9.096	-10.043	-3.145	1.547	1.292	2.031	-0.39	-0.177	-4.065	0.839	3.423	0.1	-1.041	-1.493	-1.945	1.818	2.344	-1.478	0.11	-0.664	-0.621	0.596	0.408	0.458	-0.123	-1.299	-0.242	1.016	0.381	437.081	26.653	-4.036	2.038	-4.778	-0.192	1.153	-0.368	0.067	0.468	0.295	-1.884	-0.134	1.77	0.251	-0.859	-0.769	-0.561	1.25	0.41	-0.64	0.21	-0.263	-0.207	0.147	0.137	0.361	-0.178	-0.449	-0.07	0.577	0.077	1699.695	65.626	-15.975	13.613	-12.819	-4.501	1.386	1.903	3.501	-0.958	-0.791	-4.843	1.309	4.347	-0.254	-1.02	-1.75	-2.705	1.964	3.421	-1.934	0.059	-0.825	-0.853	0.742	0.598	0.541	-0.126	-1.81	-0.257	1.202	0.507	2129.654	105.028	-20.077	14.163	-19.537	-4.315	5.048	0.622	1.996	0.973	1.175	-7.92	0.123	5.925	2.026	-2.669	-3	-3.582	3.541	4.336	-2.79	-0.113	-0.462	-1.343	0.907	0.222	0.887	0.376	-1.757	-1.141	1.586	1.101
ZINC03815140	528	30.086	-2.553	0.324	-4.876	-2.535	3.878	0.732	-0.958	0.195	0.005	0.282	-0.488	0.149	0.764	0.256	-0.522	-1.456	-0.098	1.538	-0.397	0.071	-0.844	-0.399	0.902	0.041	-0.056	-0.383	0.074	0.175	0.045	0.007	343.314	17.896	-4.114	-1.061	-4.128	2.269	3.195	-0.365	-2.082	0.732	-0.704	1.881	-1.195	-0.521	1.385	0.354	0.305	-1.076	-0.654	1.221	-0.142	-0.181	-0.297	-0.422	0.551	-0.305	-0.213	-0.459	0.401	0.212	-0.269	-0.293	248.733	18.672	-2.004	-0.27	-3.533	0.561	3.047	-0.656	-1.343	0.468	0.032	1.005	-0.953	-0.524	1.051	0.113	0.093	-0.969	-0.221	0.966	-0.262	-0.117	-0.527	-0.047	0.623	-0.302	-0.166	-0.103	0.167	0.238	-0.23	-0.119	529.651	30.512	-2.739	0.368	-5.109	-2.317	4.058	0.631	-1.149	0.214	-0.016	0.432	-0.604	0.037	0.865	0.262	-0.44	-1.434	-0.255	1.58	-0.349	0.064	-0.811	-0.471	0.904	0.056	-0.09	-0.39	0.075	0.196	0.029	-0.018	281.662	19.16	-1.998	-0.246	-3.512	0.095	2.849	-0.299	-1.235	0.432	0.027	0.795	-0.823	-0.262	0.908	0.183	-0.057	-0.996	-0.125	1.005	-0.305	-0.11	-0.556	-0.069	0.626	-0.285	-0.145	-0.142	0.159	0.192	-0.188	-0.102	660.342	35.776	-3.534	0.885	-5.81	-3.554	4.429	1.118	-0.921	0.139	-0.046	0.181	-0.459	0.249	0.781	0.299	-0.658	-1.675	-0.235	1.818	-0.403	0.167	-0.892	-0.649	0.981	0.243	-0.051	-0.513	0.08	0.175	0.089	0.054	1446.927	91.842	-8.707	0.221	-17.44	-1.747	14.874	-0.606	-5.772	1.335	-0.895	4.105	-3.454	-1.874	4.366	0.517	-0.121	-4.048	-2.188	5.079	-0.666	-0.214	-2.22	-1.533	2.846	-0.135	-0.694	-1.135	0.34	0.958	-0.166	-0.419
ZINC03815138	435	26.012	-1.415	-0.818	-3.729	-1.868	3.963	0.255	-0.999	-0.145	0.213	0.344	-0.523	-0.114	1.066	0.278	-0.263	-1.14	-0.528	1.715	-0.204	-0.297	-0.64	-0.446	0.952	0.21	-0.216	-0.545	-0.037	0.175	0.045	-0.068	349.542	18.436	-3.944	-1.403	-3.798	1.411	3.292	-0.342	-2.283	0.236	-0.502	2.122	-1.177	-0.605	1.381	0.032	0.298	-0.812	-0.901	1.231	-0.091	-0.265	-0.235	-0.585	0.648	0.035	-0.337	-0.636	0.51	0.219	-0.103	-0.3	220.198	16.853	-1.854	-0.619	-3.073	0.132	2.908	-0.583	-1.32	0.137	0.24	1.024	-0.82	-0.551	1.036	0.083	0.097	-0.712	-0.471	0.938	-0.112	-0.217	-0.428	-0.151	0.608	-0.024	-0.253	-0.289	0.195	0.195	-0.146	-0.114	455.877	27.442	-2.087	-0.819	-4.065	-1.78	4.287	0.126	-1.29	-0.134	0.215	0.596	-0.678	-0.234	1.205	0.253	-0.13	-1.182	-0.71	1.839	-0.175	-0.332	-0.636	-0.501	0.954	0.237	-0.288	-0.575	0.013	0.205	0.025	-0.103	234.83	16.3	-1.565	-0.552	-2.852	-0.142	2.605	-0.225	-1.145	0.151	0.209	0.73	-0.655	-0.323	0.909	0.123	-0.067	-0.683	-0.374	0.932	-0.153	-0.212	-0.436	-0.159	0.609	-0.026	-0.201	-0.304	0.154	0.15	-0.113	-0.072	551.58	30.9	-2.168	-0.608	-4.357	-2.576	4.713	0.385	-1.1	-0.211	0.169	0.356	-0.535	-0.115	1.211	0.359	-0.233	-1.355	-0.746	2.168	-0.236	-0.332	-0.684	-0.647	1.076	0.349	-0.239	-0.705	-0.083	0.21	0.085	-0.097	1440.427	93.585	-11.21	-2.698	-16.065	-2.312	16.578	-2.042	-7.055	-0.003	-0.2	5.589	-3.859	-2.767	5.655	0.088	1.141	-3.82	-3.714	6.235	-0.238	-1.17	-2.062	-1.769	2.992	0.827	-1.595	-1.975	0.641	1.024	-0.048	-0.741
ZINC03815143	561	33.755	-1.952	0.099	-5.068	-2.693	3.794	0.88	-0.778	-0.207	-0.39	0.107	0.092	0.01	1.267	0.315	0.091	-1.364	-0.162	1.755	-0.258	-0.279	-0.805	-0.281	0.794	0.455	-0.139	-0.556	0.026	0.069	0.378	0.004	234.765	21.299	-2.127	-0.688	-4.079	0.522	3.984	-1.373	-1.869	0.178	0.157	1.583	-1.042	-1.154	1.356	0.134	0.527	-0.774	-0.637	0.935	0.064	-0.082	-0.561	0.003	0.473	0.064	-0.194	-0.293	0.222	0.101	-0.023	-0.18	238.002	19.876	-1.388	-0.509	-3.554	-0.07	3.222	-0.733	-1.298	0.065	0.208	0.816	-0.71	-0.583	1.031	0.163	0.221	-0.753	-0.274	0.849	0.009	-0.13	-0.545	0.069	0.491	0.069	-0.173	-0.261	0.155	0.063	-0.001	-0.095	565.702	34.79	-2.108	0.198	-5.343	-2.577	4.14	0.779	-1.017	-0.159	-0.338	0.284	-0.043	-0.127	1.399	0.288	0.208	-1.353	-0.321	1.821	-0.219	-0.27	-0.799	-0.339	0.796	0.474	-0.17	-0.556	0.054	0.065	0.365	-0.011	257.152	20.143	-1.177	-0.434	-3.428	-0.466	3.01	-0.433	-1.065	0.016	0.154	0.516	-0.528	-0.36	0.941	0.17	0.086	-0.772	-0.135	0.868	-0.029	-0.152	-0.569	0.083	0.522	0.093	-0.157	-0.274	0.124	0.048	0.04	-0.062	724.729	41.113	-3.052	0.604	-6.018	-3.668	4.31	1.407	-0.79	-0.183	-0.656	0.098	0.299	0.055	1.55	0.366	0.265	-1.683	-0.315	2.252	-0.375	-0.354	-0.84	-0.524	0.856	0.645	-0.152	-0.68	0.033	0.068	0.496	0.031	1568.928	109.378	-7.171	0.981	-19.013	-4.195	16.833	-0.673	-6.021	0.248	-0.866	3.85	-2.124	-2.61	5.99	0.285	1.836	-3.739	-2.59	5.708	-0.195	-0.608	-2.674	-1.025	2.447	1.271	-0.772	-1.64	0.545	0.167	0.854	-0.372
ZINC03815070	465	29.854	-2.119	-0.503	-4.446	-2.223	3.869	0.523	-1.314	0.338	-0.224	0.495	-0.438	0.134	1.1	0.522	0.057	-1.229	-0.221	1.714	-0.216	-0.167	-0.623	-0.345	0.679	0.456	-0.144	-0.477	0.043	0.071	0.181	0.011	347.492	22.758	-3.269	0.733	-3.88	-0.001	3.907	-0.394	-2.525	0.888	-0.304	2.089	-1.278	-0.607	0.64	0.252	0.581	-0.926	-0.679	1.129	-0.097	-0.147	-0.361	-0.322	0.664	0.275	0.001	-0.532	0.436	0.216	-0.155	-0.197	226.748	18.419	-1.799	-0.373	-3.305	-0.16	3.157	-0.533	-1.521	0.312	0.198	1.077	-0.865	-0.452	0.889	0.28	0.226	-0.784	-0.347	0.901	-0.093	-0.099	-0.416	-0.083	0.544	0.06	-0.119	-0.276	0.203	0.18	-0.105	-0.08	479.731	30.845	-2.228	-0.402	-4.755	-2.192	4.25	0.394	-1.559	0.38	-0.222	0.742	-0.554	0.016	1.181	0.534	0.184	-1.256	-0.368	1.796	-0.201	-0.145	-0.635	-0.415	0.697	0.498	-0.145	-0.499	0.07	0.098	0.17	-0.01	247.01	18.492	-1.817	-0.259	-3.139	-0.44	2.877	-0.197	-1.378	0.356	0.138	0.812	-0.736	-0.207	0.765	0.3	0.083	-0.777	-0.244	0.919	-0.137	-0.127	-0.422	-0.075	0.536	0.082	-0.104	-0.281	0.188	0.137	-0.081	-0.039	595.129	36.181	-2.801	-0.233	-5.356	-3.032	4.583	0.754	-1.459	0.446	-0.458	0.536	-0.376	0.221	1.313	0.648	0.194	-1.492	-0.327	2.189	-0.281	-0.179	-0.672	-0.548	0.7	0.697	-0.173	-0.594	0.038	0.041	0.271	0.022	1442.927	98.674	-7.001	-0.73	-17.508	-4.287	17.133	-1.306	-7.628	1.758	-0.883	5.891	-3.329	-2.033	4.773	1.32	1.94	-4	-2.58	5.67	-0.314	-0.235	-2.19	-1.466	2.463	1.571	-0.514	-1.76	0.553	0.797	0.27	-0.384
ZINC03815320	465	26.078	-1.91	0.156	-4.507	-2.381	3.704	0.456	-0.717	0.005	0.232	0.195	-0.52	-0.035	1.163	0.433	-0.472	-1.151	-0.402	1.771	-0.269	-0.062	-0.768	-0.467	1.027	0.079	-0.198	-0.519	0.157	0.106	0.101	-0.096	347.443	18.127	-4.816	-0.792	-4.003	1.482	3.503	-0.282	-2.22	1.128	-0.797	2.149	-1.212	-0.723	1.234	0.587	0.318	-0.892	-0.896	1.526	-0.02	-0.21	-0.361	-0.374	0.479	-0.06	-0.319	-0.54	0.564	0.276	-0.23	-0.388	230.907	16.873	-2.06	-0.246	-3.332	0.19	3.064	-0.623	-1.253	0.439	0.065	1.034	-0.824	-0.686	1.09	0.224	0.12	-0.752	-0.435	1.096	-0.13	-0.131	-0.448	-0.117	0.639	-0.118	-0.242	-0.177	0.264	0.218	-0.152	-0.163	479.926	27.278	-2.443	0.189	-4.701	-2.251	4.066	0.386	-1.04	0.069	0.237	0.41	-0.663	-0.192	1.262	0.432	-0.397	-1.141	-0.576	1.863	-0.211	-0.106	-0.727	-0.519	1.027	0.151	-0.265	-0.551	0.214	0.13	0.063	-0.111	251.454	16.595	-1.959	-0.135	-3.283	-0.158	2.715	-0.304	-1.026	0.399	0.042	0.773	-0.692	-0.401	0.966	0.287	-0.025	-0.762	-0.331	1.118	-0.196	-0.099	-0.498	-0.139	0.634	-0.142	-0.19	-0.206	0.231	0.175	-0.106	-0.144	582.584	30.902	-2.553	0.666	-5.274	-3.192	4.28	0.756	-0.703	-0.115	0.302	0.106	-0.535	0.037	1.29	0.507	-0.605	-1.28	-0.606	2.126	-0.253	-0.052	-0.819	-0.705	1.171	0.245	-0.229	-0.709	0.187	0.107	0.13	-0.077	1442.427	89.931	-11.228	0.547	-16.555	-3.373	16.612	-1.042	-6.432	1.429	-0.258	4.904	-3.506	-3.281	5.246	1.011	-0.012	-3.241	-3.347	6.22	-0.09	-0.848	-1.866	-1.703	3.051	0.83	-1.457	-1.716	1.174	0.742	-0.142	-0.619
ZINC03815069	465	28.65	-1.639	-0.261	-4.505	-2.289	3.878	0.753	-1.353	0.19	0.013	0.418	-0.395	-0.142	1.225	0.317	0.294	-1.209	-0.363	1.628	-0.13	-0.269	-0.79	-0.238	0.737	0.436	-0.264	-0.48	0.077	0.056	0.2	-0.04	347.492	23.336	-3.59	0.874	-3.92	0.048	3.604	-0.168	-2.397	0.78	-0.031	1.829	-1.212	-0.899	0.855	0.146	0.707	-0.802	-0.946	1.199	-0.17	-0.212	-0.477	-0.156	0.659	0.278	-0.2	-0.569	0.339	0.12	0.082	-0.211	226.748	18.3	-1.642	-0.417	-3.287	-0.172	3.192	-0.493	-1.483	0.25	0.23	1.033	-0.809	-0.646	0.977	0.183	0.326	-0.745	-0.426	0.901	-0.019	-0.146	-0.542	0.037	0.552	0.066	-0.196	-0.287	0.18	0.104	-0.068	-0.132	479.731	29.933	-1.919	-0.142	-4.824	-2.212	4.184	0.694	-1.585	0.24	0.036	0.607	-0.496	-0.27	1.329	0.312	0.408	-1.216	-0.536	1.722	-0.119	-0.26	-0.787	-0.298	0.752	0.465	-0.287	-0.499	0.104	0.064	0.199	-0.054	247.01	18.221	-1.536	-0.308	-3.089	-0.479	2.947	-0.186	-1.341	0.276	0.181	0.79	-0.692	-0.407	0.855	0.199	0.21	-0.742	-0.324	0.919	-0.06	-0.165	-0.561	0.051	0.558	0.102	-0.181	-0.3	0.164	0.083	-0.037	-0.1	595.129	34.765	-2.428	0.161	-5.446	-3.118	4.463	1.201	-1.531	0.281	-0.092	0.394	-0.331	-0.103	1.484	0.366	0.482	-1.457	-0.543	2.076	-0.19	-0.329	-0.829	-0.46	0.779	0.641	-0.329	-0.58	0.092	0.033	0.291	-0.014	1442.927	99.024	-7.977	0.239	-17.797	-4.013	16.474	-0.216	-7.41	1.467	-0.191	4.899	-2.945	-3.056	5.578	0.509	2.421	-3.613	-3.268	5.685	-0.229	-0.602	-2.611	-1.008	2.586	1.249	-1.003	-1.685	0.65	0.315	0.524	-0.528
ZINC03815332	496	28.194	-2.047	0.573	-4.762	-2.395	3.522	0.412	-0.829	0.225	0.173	0.332	-0.415	-0.116	1.067	0.355	-0.478	-1.441	0	1.702	-0.474	-0.052	-0.972	-0.363	0.978	-0.025	-0.128	-0.334	-0.035	0.088	0.054	-0.111	345.351	17.84	-4.515	-0.908	-4.16	1.966	3.077	-0.601	-2.27	1.039	-0.476	1.941	-1.095	-0.738	1.471	0.489	0.398	-1.064	-0.512	1.278	-0.111	-0.19	-0.451	-0.394	0.624	-0.371	-0.239	-0.418	0.399	0.208	-0.408	-0.298	241.873	18.038	-2.012	-0.12	-3.607	0.542	2.887	-0.75	-1.299	0.604	0.075	0.996	-0.877	-0.665	1.179	0.142	0.147	-0.986	-0.141	1.029	-0.267	-0.109	-0.624	-0.029	0.684	-0.307	-0.206	-0.085	0.127	0.237	-0.272	-0.12	504.586	29.07	-2.537	0.576	-4.95	-2.158	3.755	0.346	-1.091	0.267	0.216	0.515	-0.529	-0.232	1.168	0.364	-0.363	-1.429	-0.143	1.779	-0.441	-0.08	-0.943	-0.409	0.988	-0.008	-0.166	-0.356	0.015	0.139	0.003	-0.129	268.649	18.262	-1.872	-0.005	-3.562	0.103	2.598	-0.424	-1.125	0.533	0.055	0.763	-0.735	-0.408	1.039	0.208	-0.018	-1.01	-0.036	1.047	-0.298	-0.089	-0.662	-0.057	0.673	-0.284	-0.175	-0.123	0.096	0.167	-0.21	-0.11	614.429	32.956	-2.847	1.152	-5.476	-3.349	3.989	0.713	-0.793	0.133	0.224	0.34	-0.362	-0.057	1.126	0.425	-0.604	-1.604	-0.105	2.028	-0.532	-0.056	-1.023	-0.566	1.071	0.13	-0.14	-0.45	-0.036	0.07	0.11	-0.123	1444.427	90.8	-9.641	0.576	-17.458	-1.445	14.483	-1.155	-5.955	1.87	-0.055	4.651	-3.009	-2.789	5.183	0.822	0.426	-4.119	-1.73	5.821	-0.862	-0.594	-2.701	-1.194	3.273	-0.291	-0.943	-1.066	0.437	1.111	-0.588	-0.592
ZINC03815248	496	29.557	-2.737	0.851	-4.388	-2.484	3.761	0.551	-1.16	0.416	-0.275	0.278	-0.493	-0.028	1.008	0.447	-0.335	-1.343	-0.235	1.533	-0.09	0.025	-0.734	-0.39	0.794	0.255	-0.021	-0.572	0.202	0.13	0.189	0.015	345.4	18.626	-4.466	-0.843	-4.102	1.302	3.357	-0.346	-2.422	1.194	-0.827	2.135	-1.114	-0.514	1.051	0.691	0.342	-0.88	-0.808	1.263	0.049	-0.11	-0.373	-0.403	0.366	-0.071	-0.186	-0.641	0.521	0.23	-0.213	-0.29	237.613	17.866	-2.071	-0.148	-3.399	0.195	3.123	-0.601	-1.438	0.635	0.017	1.052	-0.83	-0.598	0.959	0.311	0.122	-0.816	-0.36	0.949	-0.038	-0.104	-0.458	-0.133	0.555	-0.083	-0.148	-0.266	0.281	0.203	-0.119	-0.119	504.386	30.243	-2.855	0.782	-4.634	-2.385	4.058	0.469	-1.406	0.483	-0.274	0.479	-0.605	-0.161	1.084	0.465	-0.267	-1.313	-0.408	1.582	-0.026	0.027	-0.708	-0.459	0.797	0.298	-0.066	-0.605	0.241	0.152	0.155	0.008	264.05	18.078	-2.161	0.032	-3.343	-0.145	2.809	-0.294	-1.293	0.617	-0.037	0.818	-0.705	-0.331	0.866	0.368	-0.015	-0.855	-0.26	0.986	-0.103	-0.096	-0.493	-0.131	0.55	-0.082	-0.105	-0.295	0.259	0.156	-0.079	-0.106	627.315	35.797	-3.571	1.5	-5.08	-3.476	4.368	0.863	-1.25	0.422	-0.416	0.219	-0.522	0.021	1.137	0.495	-0.39	-1.549	-0.396	1.84	-0.031	0.095	-0.763	-0.587	0.851	0.477	-0.018	-0.74	0.255	0.128	0.245	0.084	1444.927	93.252	-9.16	0.676	-16.76	-3.747	16.047	-0.838	-7.046	2.571	-1.308	4.76	-3.157	-2.656	4.311	1.288	0.228	-3.51	-2.743	5.077	0.472	-0.228	-2.014	-1.722	2.449	0.972	-0.747	-2.048	1.15	0.779	0.096	-0.187
ZINC03815373	1176	43.992	-12.285	8.302	-9.293	-2.787	2.319	1.646	1.833	0.303	-0.413	-4.142	0.579	3.03	0.692	-0.819	-1.437	-1.535	1.327	1.61	-0.774	-0.464	-0.053	-0.393	0.114	0.905	-0.015	-0.023	-1.298	-0.11	0.789	0.298	267.173	19.242	-3.912	-0.679	-3.176	2.506	2.093	-2.28	-0.628	1.511	0.075	-0.701	-1.282	0.93	0.928	-0.609	-0.478	-0.292	0.907	0.035	-0.455	0.033	0.237	0.006	-0.133	-0.083	0.084	0.189	-0.098	-0.211	0.174	0.135	332.041	20.463	-4.169	0.781	-3.436	1.17	1.639	-1.05	-0.02	0.886	0.1	-1.47	-0.602	1.387	0.571	-0.642	-0.5	-0.398	0.98	0.14	-0.407	0.082	0.028	-0.094	-0.069	0.214	0.098	-0.043	-0.318	-0.064	0.359	0.102	1149.086	45.439	-12.126	7.851	-9.196	-2.513	2.432	1.479	1.593	0.41	-0.117	-4.178	0.341	2.986	0.829	-0.821	-1.438	-1.565	1.285	1.621	-0.762	-0.457	0.027	-0.419	0.092	0.845	-0.019	0.041	-1.145	-0.232	0.676	0.351	399.365	21.965	-4.638	1.667	-3.83	0.455	1.547	-0.462	0.293	0.654	0.004	-1.858	-0.269	1.628	0.455	-0.683	-0.568	-0.487	1.065	0.242	-0.417	0.063	-0.083	-0.126	-0.016	0.351	0.09	-0.125	-0.479	0	0.481	0.088	1573.457	54.289	-16.639	11.823	-12.103	-4.122	2.649	2.282	2.656	0.296	-0.589	-5.145	0.757	3.621	0.907	-0.829	-1.821	-2.021	1.231	2.293	-0.919	-0.701	0.144	-0.606	0.026	1.137	-0.006	0.094	-1.574	-0.293	0.806	0.451	2188.154	103.355	-21.322	11.837	-18.472	-2.957	6.203	1.247	1.393	2.54	0.929	-8.204	-1.466	5.159	3.257	-1.847	-3.359	-3.373	2.2	3.445	-1.412	-1.129	0.495	-1.035	-0.018	1.022	-0.087	0.69	-1.223	-1.524	0.579	1.073
ZINC03815118	465	27.107	-1.254	-0.446	-4.632	-1.911	3.451	0.545	-0.871	-0.013	0.135	0.107	-0.514	-0.406	1.29	0.188	-0.288	-1.203	-0.485	1.782	-0.395	-0.236	-0.683	-0.415	1.021	0.045	-0.174	-0.382	-0.029	0.281	0.16	-0.187	347.443	18.324	-4.187	-1.116	-4.204	2.066	3.401	-0.509	-2.041	0.461	-0.635	1.899	-1.194	-0.864	1.598	0.237	0.295	-0.939	-0.781	1.171	-0.027	-0.236	-0.369	-0.294	0.649	-0.208	-0.273	-0.596	0.509	0.246	-0.149	-0.255	230.907	17.737	-1.764	-0.429	-3.403	0.463	2.901	-0.671	-1.265	0.259	0.053	0.97	-0.879	-0.791	1.21	0.047	0.169	-0.837	-0.428	1.018	-0.204	-0.162	-0.489	-0.039	0.678	-0.176	-0.234	-0.201	0.228	0.265	-0.134	-0.16	479.926	28.489	-1.839	-0.326	-4.913	-1.727	3.773	0.413	-1.124	0.018	0.131	0.3	-0.651	-0.54	1.407	0.211	-0.178	-1.221	-0.655	1.886	-0.345	-0.264	-0.665	-0.456	1.036	0.078	-0.222	-0.418	0.009	0.316	0.128	-0.2	251.454	17.446	-1.577	-0.44	-3.288	0.064	2.587	-0.315	-1.091	0.219	0.046	0.707	-0.738	-0.534	1.096	0.079	0.015	-0.836	-0.333	1.015	-0.256	-0.168	-0.512	-0.071	0.678	-0.173	-0.202	-0.216	0.196	0.211	-0.086	-0.13	582.584	32.084	-1.92	-0.107	-5.492	-2.604	3.919	0.866	-0.854	-0.092	0.162	-0.031	-0.506	-0.441	1.43	0.263	-0.348	-1.361	-0.708	2.202	-0.45	-0.288	-0.689	-0.65	1.154	0.176	-0.178	-0.508	-0.092	0.343	0.222	-0.211	1442.427	94.678	-9.672	-0.718	-17.693	-0.968	15.331	-1.558	-6.076	0.751	-0.573	4.341	-3.773	-3.863	6.088	0.476	0.748	-3.802	-3.458	6.281	-0.503	-0.972	-2.049	-1.294	3.435	0.16	-1.243	-1.531	0.548	1.37	0.088	-0.889
ZINC03815117	465	28.603	-2.085	-0.142	-4.588	-1.813	3.36	0.43	-0.658	-0.035	0.051	0.515	-0.456	-0.044	1.425	0.308	-0.145	-1.265	-0.307	1.685	-0.165	-0.106	-0.762	-0.265	0.998	0.187	-0.208	-0.482	0.104	0.255	0.218	-0.084	347.443	18.71	-4.117	-1.045	-4.146	2.015	3.246	-0.364	-2.262	0.755	-0.79	2.262	-1.182	-0.606	1.257	0.513	0.466	-0.969	-0.907	1.404	-0.002	-0.074	-0.417	-0.379	0.516	-0.074	-0.227	-0.542	0.466	0.304	-0.237	-0.386	230.907	18.069	-1.989	-0.248	-3.39	0.434	2.884	-0.646	-1.235	0.385	0.039	1.081	-0.816	-0.667	1.166	0.181	0.192	-0.795	-0.382	0.989	-0.087	-0.114	-0.476	-0.04	0.619	-0.108	-0.219	-0.194	0.223	0.292	-0.136	-0.163	479.926	29.743	-2.431	-0.126	-4.853	-1.642	3.631	0.344	-0.962	-0.024	0.045	0.72	-0.592	-0.16	1.512	0.319	-0.02	-1.277	-0.485	1.769	-0.119	-0.116	-0.746	-0.309	0.997	0.238	-0.246	-0.539	0.154	0.29	0.171	-0.095	251.454	17.91	-1.978	-0.181	-3.321	0.079	2.568	-0.318	-1.037	0.36	0.011	0.851	-0.672	-0.396	1.083	0.238	0.045	-0.814	-0.275	1.017	-0.143	-0.109	-0.501	-0.049	0.613	-0.105	-0.184	-0.211	0.193	0.242	-0.083	-0.146	582.584	33.835	-2.674	0.079	-5.362	-2.483	3.811	0.694	-0.633	-0.147	-0.002	0.571	-0.454	0.04	1.612	0.357	-0.126	-1.449	-0.487	2.041	-0.132	-0.123	-0.809	-0.439	1.126	0.39	-0.241	-0.662	0.124	0.286	0.295	-0.049	1442.427	95.626	-8.817	-1.264	-17.27	-1.223	14.699	-1.252	-6.192	0.624	-0.769	5.436	-3.526	-2.759	5.737	0.827	1.193	-3.726	-3.108	5.693	0.167	-0.447	-2.163	-1.086	2.956	0.789	-1.157	-1.943	0.867	1.334	0.006	-0.505
ZINC03815121	1431	51.014	-12.098	8.065	-9.376	-2.122	1.254	2.368	2.437	-0.439	-0.209	-3.728	1.231	3.764	0.205	-0.38	-1.488	-2.327	2.125	2.263	-1.888	-0.092	-0.885	-0.602	0.762	0.535	0.347	-0.228	-1.304	-0.223	1.56	0.246	291.253	19.781	-4.526	-0.601	-3.984	3.298	1.845	-2.189	-0.751	1.54	0.339	-0.485	-1.405	1.469	0.807	-0.746	-0.454	-0.373	1.139	-0.01	-0.702	0.246	0.22	-0.111	-0.223	-0.257	0.329	0.098	-0.111	-0.294	0.265	0.202	395.037	22.95	-4.208	0.739	-4.366	1.764	1.401	-0.846	-0.103	0.772	0.4	-1.307	-0.588	1.89	0.475	-0.659	-0.57	-0.567	1.222	0.244	-0.731	0.252	-0.147	-0.18	0.018	0.037	0.314	-0.153	-0.293	-0.187	0.518	0.143	1372.116	51.023	-12.171	7.583	-9.335	-1.806	1.416	2.124	2.072	-0.267	0.091	-3.786	0.984	3.727	0.37	-0.468	-1.44	-2.319	2.106	2.231	-1.866	-0.059	-0.752	-0.635	0.712	0.46	0.338	-0.143	-1.165	-0.335	1.45	0.314	490.7	25.678	-4.43	1.59	-4.803	0.964	1.297	-0.177	0.27	0.435	0.32	-1.709	-0.175	2.14	0.35	-0.628	-0.69	-0.729	1.32	0.454	-0.807	0.229	-0.354	-0.213	0.161	0.173	0.307	-0.248	-0.443	-0.132	0.688	0.116	1904.686	62.599	-17.161	11.46	-11.394	-3.169	1.112	3.17	3.439	-0.658	-0.349	-4.5	1.638	4.45	0.203	-0.211	-1.707	-3.128	2.364	3.127	-2.437	-0.245	-0.864	-0.892	0.925	0.632	0.368	-0.107	-1.589	-0.381	1.855	0.343	2364.903	101.769	-21.968	11.296	-20.251	-0.801	4.473	2.254	2.033	0.894	1.201	-7.289	0.202	7.089	2.349	-1.88	-2.891	-4.286	4.274	4.288	-3.383	-0.085	-0.794	-1.326	1.097	0.46	0.653	0.193	-1.556	-1.265	2.326	1.171
ZINC03815335	435	23.079	-2.497	0.212	-4.379	-2.09	3.798	-0.182	-1.221	0.132	-0.082	0.502	-0.486	-0.169	0.59	0.479	-0.757	-1.05	0.122	1.105	-0.527	0.277	-0.653	-0.317	0.953	-0.371	0.001	-0.231	-0.002	0.019	-0.17	-0.039	379.339	16.349	-3.868	-0.644	-4.645	2.472	2.98	-0.523	-2.286	0.745	-0.728	2.115	-0.948	-0.683	0.976	0.469	0.078	-0.789	-0.44	0.918	-0.221	-0.094	-0.113	-0.337	0.403	-0.44	-0.049	-0.352	0.417	0.078	-0.481	-0.218	234.862	16.642	-2.2	-0.191	-3.501	0.68	2.886	-0.879	-1.386	0.494	0.001	1.046	-0.845	-0.613	0.932	0.216	-0.057	-0.822	-0.081	0.792	-0.322	-0.036	-0.43	0.019	0.585	-0.424	-0.112	-0.051	0.14	0.157	-0.349	-0.063	462.565	23.675	-2.875	0.338	-4.835	-1.869	3.989	-0.178	-1.523	0.121	-0.162	0.728	-0.473	-0.303	0.557	0.496	-0.734	-0.956	0.031	1.09	-0.52	0.292	-0.566	-0.347	0.914	-0.381	0.007	-0.208	0.005	0.026	-0.215	-0.044	244.522	16.849	-2.116	-0.245	-3.261	0.254	2.685	-0.633	-1.228	0.463	0.023	0.831	-0.79	-0.38	0.868	0.283	-0.157	-0.874	-0.017	0.842	-0.346	-0.02	-0.49	-0.016	0.616	-0.415	-0.096	-0.105	0.13	0.125	-0.304	-0.072	542.191	26.186	-3.173	0.683	-5.321	-2.865	4.359	-0.032	-1.363	-0.015	-0.192	0.537	-0.434	-0.149	0.474	0.546	-0.975	-1.097	0.08	1.224	-0.595	0.411	-0.646	-0.523	1.061	-0.318	0.034	-0.307	-0.019	-0.014	-0.182	-0.015	1841.804	86.173	-18.747	3.421	-18.229	-3.808	15.862	0.114	-11.126	1.662	-1.552	5.145	-0.034	-3.39	0.119	2.789	-2.29	-1.848	0.138	2.635	-2.114	1.801	-0.82	-0.851	2.669	-1.923	-0.148	0.474	-0.054	-0.021	-0.986	-0.709
ZINC03815266	630	33.176	-2.573	0.036	-5.347	-2.376	3.679	0.712	-0.622	0.12	-0.398	0.063	-0.482	0.478	0.691	0.25	-0.699	-1.721	0.345	1.839	-0.855	-0.012	-0.893	-0.502	1.179	-0.058	0.052	-0.278	-0.217	0.119	0.138	0.144	375.512	18.43	-4.174	-0.951	-4.241	2.586	3.218	-0.513	-2.041	0.936	-0.598	1.834	-1.269	-0.553	1.48	0.349	0.281	-1.146	-0.492	1.126	-0.245	-0.169	-0.325	-0.413	0.576	-0.404	-0.095	-0.424	0.307	0.162	-0.43	-0.112	284.056	19.694	-2.261	-0.017	-3.814	0.733	3.046	-0.797	-1.217	0.574	-0.012	0.955	-0.992	-0.454	1.116	0.06	0.056	-1.087	-0.072	1.004	-0.397	-0.071	-0.552	-0.113	0.7	-0.38	-0.115	-0.046	0.051	0.204	-0.296	0.016	627.737	33.562	-2.92	0.144	-5.507	-2.134	3.913	0.609	-0.873	0.163	-0.34	0.197	-0.611	0.344	0.787	0.254	-0.599	-1.686	0.184	1.859	-0.812	-0.008	-0.855	-0.566	1.177	-0.053	0.004	-0.279	-0.204	0.128	0.105	0.132	325.163	20.284	-2.149	-0.028	-3.897	0.221	2.794	-0.415	-1.035	0.486	-0.086	0.716	-0.841	-0.154	0.955	0.119	-0.121	-1.127	0.048	1.072	-0.455	-0.073	-0.604	-0.136	0.731	-0.34	-0.085	-0.094	0.031	0.158	-0.231	0.033	790.274	39.833	-3.697	0.325	-6.083	-3.351	4.2	1.161	-0.646	0.035	-0.537	-0.098	-0.464	0.643	0.622	0.347	-0.847	-2.01	0.359	2.207	-1.05	0.007	-0.914	-0.766	1.345	0.096	0.076	-0.374	-0.288	0.102	0.243	0.2	1642.803	97.038	-8.875	0.965	-18.426	-0.813	14.559	-0.745	-4.828	1.577	-1.21	3.614	-3.478	-1.267	4.328	0.322	-0.458	-4.578	-1.14	5.389	-1.62	-0.232	-2.443	-1.704	3.319	-0.482	-0.496	-0.847	-0.345	0.759	-0.288	0.129
ZINC03815125	1081	44.155	-9.769	8.439	-8.006	-2.065	1.07	2.089	1.356	-0.463	-1.445	-2.732	0.657	2.787	-0.087	0.039	-1.224	-2.007	2.038	1.905	-1.321	0.136	-0.846	-0.263	0.58	0.519	0.254	-0.321	-1.271	0.3	1.294	0.175	407.087	22.2	-4.581	2.208	-4.667	3.173	0.936	-1.42	-1.059	1.839	-0.823	0.561	-0.804	0.787	0.609	-0.655	0.03	-0.542	0.985	-0.066	-0.144	-0.095	0.004	0.07	0.166	-0.021	0.216	-0.049	-0.343	0.097	0.297	0.282	351.863	20.804	-3.753	1.693	-3.752	1.066	1.323	-0.719	-0.171	0.771	-0.359	-0.735	-0.553	1.215	0.405	-0.428	-0.409	-0.5	0.943	0.127	-0.423	0.146	-0.237	-0.143	0.113	0.173	0.208	-0.224	-0.299	0.033	0.515	0.069	1056.079	44.365	-9.731	8.208	-8.052	-1.728	1.206	1.845	1.056	-0.272	-1.226	-2.634	0.499	2.692	0.044	-0.011	-1.186	-1.937	1.96	1.865	-1.304	0.13	-0.756	-0.288	0.565	0.474	0.227	-0.279	-1.185	0.237	1.226	0.25	430.853	23.024	-4.18	2.821	-4.146	0.383	1.11	0.014	0.043	0.564	-0.575	-1.093	-0.277	1.507	0.269	-0.396	-0.534	-0.649	1.092	0.28	-0.453	0.13	-0.367	-0.146	0.219	0.279	0.199	-0.279	-0.435	0.091	0.638	0.056	1421.448	54.287	-13.466	11.58	-9.945	-2.631	0.913	2.724	1.901	-0.766	-1.81	-3.215	0.918	3.275	-0.251	0.305	-1.403	-2.657	2.356	2.762	-1.785	0.16	-0.884	-0.35	0.651	0.57	0.292	-0.273	-1.608	0.366	1.503	0.295	2065.297	93.269	-17.436	14.521	-19.383	-0.3	4.668	1.19	-0.027	1.193	-2.022	-3.587	-0.547	4.508	1.48	-0.902	-2.035	-3.573	3.765	3.387	-2.418	0.165	-1.159	-0.697	1.064	0.658	0.461	-0.425	-1.996	0.07	2.034	1.283
ZINC03815328	595	31.408	-2.482	0.485	-4.962	-2.801	3.564	0.602	-0.282	-0.049	-0.308	0.204	-0.28	0.057	1.254	0.327	-0.314	-1.549	0.093	1.991	-0.41	0.003	-0.861	-0.315	0.929	0.185	-0.082	-0.723	0.044	0.09	0.429	0.068	377.694	18.858	-5.07	-0.663	-4.497	1.466	3.333	-0.45	-2.203	1.289	-0.781	2.157	-1.164	-0.568	1.286	0.545	0.342	-0.927	-0.731	1.436	-0.104	-0.144	-0.432	-0.358	0.425	-0.116	-0.251	-0.626	0.504	0.283	-0.214	-0.213	272.164	18.203	-2.34	0.176	-3.793	0.222	3.06	-0.712	-1.138	0.555	-0.023	1.035	-0.817	-0.574	1.155	0.167	0.147	-0.872	-0.226	1.083	-0.164	-0.089	-0.538	-0.071	0.622	-0.11	-0.194	-0.26	0.227	0.225	-0.116	-0.037	600.217	32.124	-2.821	0.538	-5.198	-2.627	3.858	0.527	-0.641	0.047	-0.258	0.373	-0.393	-0.079	1.318	0.333	-0.247	-1.506	-0.079	2.025	-0.361	-0.013	-0.833	-0.383	0.925	0.231	-0.143	-0.742	0.088	0.111	0.391	0.063	306.22	18.409	-2.336	0.292	-3.815	-0.189	2.734	-0.382	-0.877	0.495	-0.092	0.802	-0.67	-0.29	1.059	0.223	0.007	-0.924	-0.1	1.14	-0.223	-0.075	-0.593	-0.07	0.62	-0.111	-0.154	-0.306	0.199	0.182	-0.05	-0.018	754.115	38.505	-3.366	0.766	-5.54	-3.897	4.11	1.017	-0.275	-0.193	-0.376	0.107	-0.21	0.11	1.373	0.398	-0.356	-1.826	0.005	2.469	-0.5	0.036	-0.882	-0.523	1.024	0.369	-0.1	-0.949	0.041	0.061	0.605	0.099	1640.803	94.854	-9.589	2.28	-18.953	-3.349	14.882	-0.818	-5.165	1.432	-1.286	4.389	-2.601	-2.528	5.062	0.666	0.332	-3.745	-2.005	5.946	-0.332	-0.404	-2.461	-1.446	2.726	0.869	-0.981	-2.238	0.759	0.8	0.515	0.049
ZINC03815136	561	28.449	-1.924	0.132	-4.964	-2.492	3.904	0.258	-0.625	-0.06	-0.309	0.356	-0.641	-0.191	1.542	0.299	-0.321	-1.551	-0.145	1.714	-0.159	0.035	-0.964	-0.384	0.935	0.066	-0.017	-0.332	-0.059	0.127	0.02	-0.21	379.833	17.574	-4.591	-0.886	-4.347	2.177	3.348	-0.804	-2.191	0.798	-0.569	2.248	-1.135	-0.827	1.723	0.354	0.531	-1.008	-0.672	1.354	-0.044	-0.156	-0.433	-0.451	0.592	-0.317	-0.251	-0.512	0.442	0.246	-0.371	-0.336	264.991	18.026	-2.1	-0.086	-3.663	0.489	3.162	-0.864	-1.28	0.463	-0.012	1.174	-0.945	-0.737	1.372	0.07	0.254	-1.011	-0.242	1.083	-0.187	-0.082	-0.62	-0.055	0.666	-0.254	-0.197	-0.117	0.124	0.262	-0.263	-0.152	573.524	29.45	-2.39	0.289	-5.25	-2.357	4.156	0.189	-0.923	0.005	-0.287	0.528	-0.746	-0.317	1.688	0.313	-0.206	-1.535	-0.319	1.803	-0.124	0.051	-0.942	-0.461	0.941	0.086	-0.049	-0.374	-0.016	0.165	-0.04	-0.235	292.653	18.043	-1.946	-0.022	-3.603	0.055	2.865	-0.541	-1.072	0.38	-0.024	0.928	-0.831	-0.465	1.241	0.126	0.095	-1.046	-0.127	1.09	-0.203	-0.091	-0.654	-0.068	0.653	-0.232	-0.161	-0.137	0.098	0.202	-0.203	-0.134	704.982	33.68	-2.481	0.54	-5.886	-3.553	4.426	0.572	-0.493	-0.247	-0.543	0.246	-0.663	-0.131	1.782	0.424	-0.438	-1.774	-0.309	2.028	-0.09	0.112	-1.024	-0.636	1	0.259	0.03	-0.448	-0.08	0.096	0.063	-0.273	1702.93	93.396	-9.955	2.287	-19.818	-2.59	15.841	-1.727	-5.617	0.867	-1.439	4.857	-3.614	-3.179	7.266	0.657	0.95	-4.158	-2.884	6.082	0.075	0.216	-2.63	-1.832	2.91	0.113	-0.572	-1.448	0.324	1.037	-0.678	-0.959
ZINC03815141	666	36.692	-1.236	-0.548	-4.99	-2.622	3.703	0.656	0.301	-0.809	-0.104	-0.654	0.334	0.035	1.155	0.139	0.069	-1.595	-0.196	2.6	-0.537	-0.252	-0.906	0.019	0.843	0.416	-0.022	-0.723	0.181	-0.207	0.792	-0.017	260.846	22.046	-2.419	-0.415	-4.225	0.756	3.946	-1.554	-1.623	0.194	0.128	1.521	-1.139	-1.196	1.567	0.002	0.591	-0.783	-0.643	1.189	-0.041	-0.118	-0.587	0.13	0.47	0.025	-0.211	-0.309	0.423	0.001	0.022	-0.118	272.547	20.751	-1.537	-0.198	-3.721	0.064	3.148	-0.859	-0.93	-0.032	0.208	0.675	-0.751	-0.592	1.137	0.032	0.263	-0.813	-0.254	1.121	-0.089	-0.146	-0.607	0.191	0.504	0.046	-0.162	-0.315	0.321	-0.025	0.073	-0.064	666.933	37.553	-1.589	-0.323	-5.336	-2.444	4.034	0.574	-0.051	-0.724	-0.03	-0.474	0.19	-0.11	1.309	0.098	0.195	-1.553	-0.358	2.678	-0.51	-0.237	-0.885	-0.034	0.851	0.438	-0.076	-0.704	0.237	-0.224	0.792	-0.022	298.711	21.215	-1.188	-0.158	-3.599	-0.377	2.926	-0.551	-0.59	-0.149	0.163	0.321	-0.541	-0.356	1.01	0.034	0.114	-0.86	-0.108	1.173	-0.13	-0.165	-0.646	0.21	0.538	0.074	-0.134	-0.348	0.276	-0.046	0.142	-0.045	860.602	44.842	-2.158	-0.607	-5.738	-3.555	4.213	1.11	0.488	-0.991	-0.172	-0.972	0.682	0.084	1.329	0.176	0.245	-1.963	-0.41	3.413	-0.774	-0.294	-0.923	-0.124	0.93	0.596	0.005	-0.88	0.199	-0.317	1.086	-0.001	1772.678	112.602	-6.02	2.085	-20.203	-2.861	15.958	-0.913	-3.646	-0.989	-0.225	2.203	-1.743	-2.676	6.296	-0.468	2.034	-3.798	-2.734	7.911	-0.961	-0.39	-2.969	-0.235	2.697	1.128	-0.564	-1.988	1.362	-0.544	1.959	-0.305
ZINC03815033	1275	50.33	-12.598	10.568	-10.243	-0.02	1.247	1.769	2.304	-0.48	-0.403	-3.892	0.581	3.401	-0.004	-0.635	-1.611	-1.772	2.087	2.221	-1.673	-0.181	-0.513	-0.331	0.354	0.78	0.384	-0.016	-1.408	-0.023	1.347	0.33	417.111	21.425	-5.789	2.304	-4.331	4.365	0.274	-1.483	-1.296	1.666	-0.218	-0.013	-0.995	1.052	0.692	-1.137	-0.334	-0.519	0.93	-0.3	-0.353	-0.188	0.425	-0.089	-0.144	-0.059	0.458	0.257	-0.444	-0.218	-0.039	0.317	380.65	22.71	-4.568	2.251	-4.33	1.974	1.04	-0.929	-0.084	0.805	0.075	-1.31	-0.521	1.501	0.436	-0.795	-0.65	-0.441	1.005	0.105	-0.621	0.051	0.072	-0.182	-0.04	0.188	0.254	0.029	-0.464	-0.086	0.421	0.177	1236.416	50.512	-12.552	10.206	-10.072	0.23	1.303	1.575	1.992	-0.298	-0.088	-3.907	0.421	3.367	0.133	-0.697	-1.571	-1.765	2.03	2.153	-1.649	-0.184	-0.371	-0.362	0.319	0.695	0.393	0.067	-1.305	-0.134	1.245	0.415	477.036	25.239	-5.226	3.499	-5.001	1.407	0.891	-0.233	0.222	0.516	-0.039	-1.626	-0.204	1.781	0.27	-0.784	-0.767	-0.531	1.13	0.286	-0.661	0.021	-0.102	-0.207	0.078	0.338	0.245	-0.035	-0.602	-0.019	0.58	0.136	1690.558	62.176	-17.311	14.44	-12.661	-0.18	1.258	2.412	3.172	-0.706	-0.492	-4.782	0.708	4.112	-0.089	-0.518	-1.848	-2.452	2.42	3.204	-2.204	-0.274	-0.485	-0.453	0.365	0.914	0.527	0.071	-1.694	-0.125	1.577	0.509	2210.778	100.697	-22.343	18.385	-20.208	2.8	3.655	1.231	2.15	0.813	0.505	-7.011	-0.428	6.296	1.654	-2.097	-3.255	-3.245	3.761	3.653	-2.932	-0.595	0.168	-0.803	0.421	0.795	0.846	0.683	-2.157	-0.91	1.798	1.344
ZINC00116727	630	32.779	-2.635	0.936	-5.421	-2.445	3.792	0.256	-0.242	-0.206	-0.125	0.289	-0.185	-0.188	1.626	0.013	-0.463	-1.698	0.363	2.093	-0.469	-0.009	-0.988	-0.218	1.186	0.278	-0.138	-0.524	0.028	0.151	0.13	0.033	262.506	19.692	-2.487	-0.223	-4.191	1.707	4.126	-1.752	-1.711	0.855	0.121	1.815	-1.268	-1.369	1.864	-0.029	0.525	-1.069	-0.458	1.264	-0.235	-0.108	-0.602	0.008	0.883	-0.368	-0.338	-0.027	0.113	0.46	-0.417	-0.123	269.877	18.808	-1.97	0.117	-3.849	0.561	3.311	-1.067	-1.154	0.514	0.14	1.074	-0.887	-0.797	1.505	-0.033	0.201	-1.114	-0.082	1.161	-0.272	-0.056	-0.666	0.064	0.794	-0.285	-0.246	-0.031	0.071	0.304	-0.274	-0.046	639.019	33.496	-3.071	1.173	-5.713	-2.296	4.215	0.225	-0.639	-0.209	0.099	0.47	-0.389	-0.309	1.778	-0.005	-0.314	-1.666	0.17	2.175	-0.477	-0.013	-0.939	-0.295	1.243	0.281	-0.201	-0.553	0.084	0.206	0.035	0.031	290.111	19.128	-1.747	0.22	-3.811	0.007	3.011	-0.78	-0.831	0.369	0.071	0.763	-0.667	-0.567	1.37	-0.022	0.025	-1.152	0.09	1.165	-0.281	-0.039	-0.722	0.079	0.788	-0.232	-0.196	-0.056	0.03	0.241	-0.176	-0.017	793.379	39.135	-3.739	1.744	-6.12	-3.407	4.274	0.654	-0.055	-0.46	-0.199	0.24	-0.067	-0.133	1.765	0.022	-0.57	-1.922	0.355	2.504	-0.55	-0.005	-1.008	-0.412	1.322	0.565	-0.149	-0.751	0.085	0.136	0.209	0.041	1769.928	102.001	-10.783	3.318	-20.113	-1.733	16.975	-1.926	-5.573	0.585	1.028	4.595	-3.295	-3.077	7.189	-0.203	0.83	-4.693	-1.356	6.831	-1.175	-0.286	-2.7	-0.961	4.196	0.197	-1.175	-1.44	0.378	1.467	-0.8	-0.025
ZINC03815406	435	24.839	-2.087	1.016	-4.541	-2.281	3.767	0.031	-0.994	0.292	0.251	0.463	-0.296	-0.162	0.707	0.394	-0.498	-1.155	0.073	1.176	-0.469	0.211	-0.906	-0.258	0.817	-0.31	-0.01	-0.267	0.177	-0.014	-0.088	-0.06	379.339	18.641	-4.906	-0.573	-4.675	1.485	3.125	-0.309	-2.141	0.893	-0.525	2.105	-0.533	-0.536	1.144	0.304	0.314	-0.864	-0.455	0.966	-0.248	-0.156	-0.325	-0.227	0.383	-0.323	-0.148	-0.284	0.548	0.078	-0.316	-0.328	234.862	17.594	-2.236	0.067	-3.5	0.465	2.954	-0.785	-1.272	0.533	0.095	1.041	-0.74	-0.621	0.999	0.139	0.103	-0.853	-0.104	0.862	-0.267	-0.056	-0.525	0.058	0.52	-0.339	-0.155	-0.037	0.242	0.142	-0.272	-0.122	462.565	26.152	-2.488	1.281	-4.988	-2.172	3.987	0.056	-1.152	0.305	0.185	0.703	-0.242	-0.279	0.742	0.345	-0.382	-1.106	-0.023	1.181	-0.46	0.226	-0.879	-0.265	0.773	-0.316	-0.005	-0.264	0.201	-0.007	-0.117	-0.083	244.522	17.551	-2.128	-0.049	-3.291	0.13	2.731	-0.552	-1.186	0.506	0.135	0.817	-0.704	-0.39	0.882	0.26	-0.059	-0.898	-0.031	0.894	-0.303	-0.046	-0.567	0.007	0.557	-0.341	-0.133	-0.08	0.22	0.116	-0.239	-0.108	542.191	28.68	-2.611	1.822	-5.534	-3.125	4.338	0.257	-0.979	0.206	0.292	0.483	-0.169	-0.121	0.651	0.432	-0.631	-1.241	-0.003	1.311	-0.54	0.319	-0.985	-0.442	0.89	-0.279	0.033	-0.378	0.196	-0.065	-0.087	-0.028	1841.804	108.463	-16.951	8.977	-18.929	-8.765	15.736	1.018	-7.377	2.476	-1.055	5.249	1.604	-2.774	2.804	0.453	0.897	-3.403	-0.035	3.268	-1.899	1.409	-3.008	-0.325	2.136	-1.553	-0.247	0.156	0.898	-0.23	-0.368	-1.332
ZINC00020363	595	32.071	-1.874	-0.216	-4.741	-2.59	4.107	0.541	-0.536	-0.248	-0.245	-0.07	-0.477	0.269	0.941	0.171	-0.119	-1.405	-0.15	2.127	-0.584	-0.077	-0.991	-0.088	0.915	0.175	-0.031	-0.501	-0.064	0.016	0.216	-0.021	377.694	24.286	-3.564	1.036	-4.252	0.484	3.494	-0.342	-2.077	0.811	-0.209	1.79	-1.343	-0.738	1.142	-0.276	0.811	-0.916	-0.78	1.366	-0.478	-0.287	-0.446	0.028	0.706	0.079	-0.201	-0.474	0.371	0.14	-0.06	-0.163	272.164	19.634	-1.996	-0.009	-3.676	0.103	3.19	-0.704	-1.212	0.305	0.059	0.937	-0.949	-0.483	1.168	-0.086	0.326	-0.901	-0.323	1.117	-0.301	-0.13	-0.583	0.129	0.63	-0.094	-0.152	-0.205	0.176	0.098	-0.151	-0.093	600.217	32.867	-2.205	-0.084	-5.063	-2.412	4.349	0.466	-0.805	-0.178	-0.173	0.102	-0.575	0.145	1.057	0.152	0.003	-1.408	-0.309	2.183	-0.581	-0.075	-0.968	-0.13	0.929	0.197	-0.085	-0.494	-0.028	0.031	0.208	-0.027	306.22	20.176	-1.788	0.123	-3.569	-0.293	3.001	-0.355	-0.994	0.255	-0.002	0.659	-0.815	-0.223	0.991	-0.063	0.171	-0.906	-0.218	1.158	-0.347	-0.141	-0.621	0.135	0.644	-0.05	-0.117	-0.236	0.153	0.076	-0.103	-0.068	754.115	38.572	-2.752	-0.121	-5.415	-3.603	4.753	0.909	-0.515	-0.419	-0.339	-0.262	-0.409	0.402	0.96	0.297	-0.112	-1.679	-0.273	2.69	-0.743	-0.039	-1.076	-0.248	1.013	0.31	-0.023	-0.626	-0.127	-0.012	0.347	-0.005	1640.803	99.697	-7.271	1.373	-19.194	-2.674	15.715	-0.885	-5.021	0.764	-0.599	3.529	-3.209	-1.72	5.382	-0.342	1.654	-4.069	-2.453	6.581	-1.491	-0.276	-2.983	-0.354	3.066	0.413	-0.707	-1.43	0.387	0.386	0.302	-0.339
ZINC02391785	595	30.728	-2.251	0.261	-5.029	-2.713	4.172	0.52	-0.743	0.112	-0.214	0.333	-0.832	-0.21	1.306	0.312	-0.37	-1.521	-0.304	1.677	-0.221	-0.007	-0.741	-0.572	0.925	-0.16	0.082	-0.263	0.08	0.007	-0.071	-0.179	377.694	17.539	-4.465	-0.875	-4.263	2.138	3.316	-0.745	-2.223	0.859	-0.691	2.163	-1.243	-0.823	1.602	0.418	0.479	-0.971	-0.781	1.323	-0.018	-0.11	-0.35	-0.437	0.585	-0.295	-0.105	-0.515	0.421	0.17	-0.356	-0.346	272.164	18.434	-2.119	-0.145	-3.617	0.497	3.257	-0.785	-1.359	0.541	-0.036	1.156	-1.025	-0.698	1.243	0.144	0.219	-0.958	-0.344	1.034	-0.219	-0.082	-0.523	-0.078	0.639	-0.331	-0.109	-0.109	0.176	0.211	-0.279	-0.175	600.217	31.258	-2.513	0.433	-5.335	-2.57	4.368	0.423	-0.956	0.184	-0.252	0.497	-0.93	-0.333	1.465	0.347	-0.276	-1.492	-0.478	1.75	-0.164	0.014	-0.726	-0.639	0.93	-0.136	0.057	-0.281	0.089	0.029	-0.112	-0.198	306.22	18.834	-2.053	-0.108	-3.561	0.05	3.019	-0.44	-1.211	0.477	-0.035	0.906	-0.932	-0.434	1.107	0.202	0.054	-1.009	-0.237	1.059	-0.245	-0.091	-0.539	-0.103	0.64	-0.326	-0.072	-0.129	0.172	0.156	-0.243	-0.167	754.115	37.298	-3.029	0.784	-6.061	-3.925	4.789	0.886	-0.608	0.006	-0.367	0.195	-0.912	-0.204	1.547	0.411	-0.496	-1.761	-0.498	2.044	-0.157	0.043	-0.763	-0.906	1.019	-0.043	0.119	-0.337	0.091	-0.084	-0.079	-0.192	1705.43	93.957	-9.143	2.283	-19.527	-3.195	16.006	-1.241	-5.454	1.518	-1.914	4.757	-4.042	-3.211	6.615	0.966	0.674	-3.861	-3.367	5.681	0.031	0.175	-2.145	-1.994	2.812	-0.442	-0.132	-1.091	0.461	0.509	-0.671	-0.874
ZINC03815357	435	24.768	-2.005	0.976	-4.394	-2.453	4.011	-0.07	-0.951	0.187	0.339	0.266	-0.255	-0.201	0.708	0.317	-0.428	-1.155	0.154	1.154	-0.492	0.203	-0.894	-0.143	0.865	-0.339	-0.041	-0.184	0.098	-0.011	-0.058	-0.04	465.775	17.194	-6.472	-1.149	-4.279	0.181	4.472	-0.387	-2.596	0.792	-0.182	0.417	-0.611	-0.037	0.947	0.23	0.454	-0.617	-0.264	1.025	-0.84	0.061	-0.63	0.701	0.354	-0.346	-0.525	0.484	-0.241	0.243	-0.215	0.12	240.937	17.426	-2.292	0.043	-3.377	0.247	3.203	-0.851	-1.308	0.484	0.193	0.789	-0.731	-0.591	0.961	0.083	0.13	-0.834	-0.065	0.864	-0.338	-0.024	-0.57	0.212	0.533	-0.346	-0.21	0.097	0.131	0.176	-0.255	-0.069	457.801	26.143	-2.324	1.27	-4.831	-2.376	4.26	-0.068	-1.086	0.185	0.28	0.48	-0.21	-0.337	0.751	0.256	-0.301	-1.101	0.072	1.154	-0.484	0.218	-0.866	-0.142	0.824	-0.348	-0.038	-0.177	0.11	-0.005	-0.084	-0.057	271.75	17.168	-2.426	-0.12	-3.057	-0.207	3.11	-0.582	-1.299	0.451	0.294	0.402	-0.653	-0.275	0.78	0.189	-0.012	-0.875	0.034	0.919	-0.433	0.003	-0.631	0.267	0.577	-0.361	-0.23	0.143	0.046	0.171	-0.209	-0.033	538.265	28.68	-2.454	1.793	-5.372	-3.32	4.61	0.137	-0.899	0.08	0.381	0.272	-0.124	-0.186	0.665	0.341	-0.544	-1.243	0.1	1.277	-0.557	0.298	-0.955	-0.325	0.951	-0.313	0.007	-0.3	0.112	-0.071	-0.049	-0.01	1804.319	108.951	-15.839	9.221	-18.237	-9.608	16.654	0.433	-7.211	1.98	-0.776	4.191	1.489	-2.992	2.857	0.195	1.277	-3.164	0.353	3.283	-2.011	1.446	-3.045	0.147	2.166	-1.677	-0.468	0.457	0.388	-0.204	-0.293	-1.12
ZINC03815080	561	32.137	-1.655	-1.252	-4.265	-2.057	3.711	0.42	-0.345	-0.344	-0.283	0.258	-0.255	0.012	1.28	0.074	-0.116	-1.547	0.034	1.994	-0.322	-0.229	-0.664	-0.348	0.814	0.257	-0.036	-0.645	0.029	0.049	0.366	0.04	379.882	19.115	-4.281	-1.458	-4.047	1.594	3.34	-0.326	-2.313	0.323	-0.523	2.052	-1.177	-0.475	1.435	0.076	0.34	-0.929	-0.628	1.193	-0.086	-0.016	-0.223	-0.492	0.643	-0.048	-0.085	-0.605	0.527	0.276	-0.054	-0.151	260.528	18.594	-2.065	-0.464	-3.533	0.204	2.903	-0.616	-1.187	0.181	0.134	1.005	-0.863	-0.465	1.139	0.057	0.132	-0.839	-0.222	0.963	-0.1	-0.121	-0.432	-0.084	0.586	-0.037	-0.119	-0.316	0.233	0.204	-0.102	0.003	573.309	32.877	-2.113	-1.155	-4.604	-1.891	4.03	0.315	-0.683	-0.279	-0.238	0.482	-0.382	-0.101	1.395	0.082	0.003	-1.551	-0.121	2.063	-0.302	-0.205	-0.664	-0.404	0.831	0.285	-0.07	-0.652	0.072	0.071	0.358	0.037	287.848	18.67	-1.897	-0.446	-3.405	-0.124	2.6	-0.244	-0.945	0.141	0.047	0.71	-0.697	-0.228	1.036	0.06	-0.03	-0.858	-0.108	0.988	-0.136	-0.156	-0.454	-0.101	0.58	-0.034	-0.091	-0.355	0.203	0.153	-0.058	0.016	718.798	39.207	-2.435	-1.504	-4.765	-2.86	4.412	0.643	-0.332	-0.481	-0.442	0.266	-0.12	0.027	1.451	0.103	0.003	-1.913	-0.039	2.599	-0.458	-0.236	-0.685	-0.539	0.885	0.423	-0.041	-0.806	0.017	0	0.554	0.043	1638.803	99.2	-8.474	-1.71	-18.118	-1.53	15.486	-1.263	-5.431	0.091	-0.934	5.102	-2.987	-2.255	5.904	-0.081	1.324	-4.286	-1.959	6.025	-0.358	-0.336	-2.215	-1.334	2.787	0.941	-0.534	-2.082	0.654	0.858	0.718	-0.05
ZINC03813428	1081	46.942	-11.282	9.545	-8.774	-2.857	1.845	3.143	0.907	-0.665	-0.018	-4.471	1.25	2.659	0.39	-0.186	-1.482	-1.283	1.159	1.667	-1.291	0.139	-0.128	-0.733	0.408	0.474	0.455	0.015	-0.832	-0.43	0.812	0.212	296.312	22.809	-4.76	0.848	-3.738	1.754	2.373	-1.73	-0.914	1.168	-0.012	-0.398	-1.034	1.102	0.139	-0.382	-0.509	-0.103	0.822	-0.277	-0.671	0.241	0.356	0.139	-0.446	-0.23	0.441	0.016	0.069	-0.443	0.354	0.167	323.855	22.427	-4.445	1.751	-3.422	0.861	1.516	-0.569	-0.302	0.571	0.182	-1.369	-0.477	1.365	0.217	-0.345	-0.616	-0.326	0.865	-0.011	-0.569	0.214	0.063	-0.094	-0.19	0.086	0.33	-0.107	-0.107	-0.261	0.472	0.084	1085.442	48.614	-11.499	9.565	-9.028	-2.885	2.314	2.952	0.693	-0.56	0.152	-4.452	1.194	2.557	0.415	-0.213	-1.474	-1.223	1.142	1.578	-1.317	0.175	0.019	-0.691	0.288	0.373	0.533	0.059	-0.697	-0.582	0.765	0.264	369.937	23.858	-4.66	2.363	-3.586	0.311	1.282	0.069	-0.058	0.304	0.186	-1.837	-0.17	1.551	0.228	-0.348	-0.701	-0.456	0.935	0.161	-0.59	0.213	-0.077	-0.196	-0.047	0.218	0.277	-0.137	-0.241	-0.187	0.551	0.056	1456.511	58.149	-15.301	13.621	-11.818	-4.082	2.1	4.249	1.417	-1.057	-0.056	-5.684	1.743	3.139	0.536	-0.079	-1.813	-1.644	1.076	2.412	-1.634	0.129	0.046	-1.03	0.484	0.529	0.638	0.148	-1.021	-0.653	0.795	0.343	2677.402	139.152	-34.42	22.295	-19.848	-13.05	14.465	6.883	-2.95	1.235	0.511	-8.495	4.553	3.237	-1.133	0.312	-3.141	-1.708	2.875	1.675	-3.455	1.282	1.564	-1.182	0.178	-1.286	2.058	1.052	-0.574	-2.893	1.653	0.298
ZINC03815079	561	31.172	-0.824	-1.502	-4.481	-2.048	3.77	0.635	-0.301	-0.492	0.34	-0.22	-0.203	-0.088	1.147	0.127	0.279	-1.486	-0.327	2.346	-0.392	-0.266	-0.856	0.013	0.854	0.42	-0.195	-0.682	0.285	-0.174	0.621	-0.084	379.882	19.115	-4.245	-1.486	-4.09	1.569	3.463	-0.244	-2.21	0.236	-0.516	1.864	-1.181	-0.666	1.414	0.078	0.458	-0.814	-0.852	1.321	-0.109	-0.034	-0.41	-0.16	0.584	0.109	-0.176	-0.668	0.651	0.013	0.013	-0.242	260.528	18.397	-1.877	-0.547	-3.493	0.159	3.061	-0.581	-1.139	0.088	0.184	0.953	-0.84	-0.614	1.119	0.049	0.31	-0.822	-0.373	1.137	-0.1	-0.148	-0.584	0.148	0.557	0.032	-0.184	-0.37	0.362	0.025	-0.018	-0.11	573.309	32.12	-1.376	-1.343	-4.852	-1.844	4.069	0.594	-0.632	-0.421	0.37	-0.025	-0.309	-0.207	1.277	0.105	0.387	-1.469	-0.509	2.446	-0.385	-0.246	-0.832	-0.042	0.864	0.446	-0.237	-0.682	0.34	-0.183	0.628	-0.092	287.848	18.352	-1.608	-0.57	-3.332	-0.189	2.774	-0.241	-0.884	0.037	0.14	0.662	-0.704	-0.358	0.97	0.058	0.177	-0.857	-0.251	1.166	-0.14	-0.164	-0.611	0.159	0.572	0.06	-0.165	-0.408	0.336	-0.001	0.037	-0.094	718.798	38.113	-1.387	-1.789	-5.192	-2.774	4.387	1.031	-0.289	-0.649	0.463	-0.51	-0.02	-0.037	1.309	0.16	0.501	-1.792	-0.547	3.059	-0.562	-0.298	-0.865	-0.13	0.95	0.629	-0.24	-0.816	0.339	-0.293	0.905	-0.083	1638.803	99.028	-7.839	-1.598	-18.737	-1.257	15.586	-0.114	-5.044	-0.318	0.26	3.691	-2.558	-2.843	6.024	-0.326	2.275	-3.847	-3.289	7.501	-0.878	-0.35	-2.749	-0.33	2.859	1.169	-0.842	-2.18	1.599	-0.297	1.551	-0.544
ZINC00118594	465	27.029	-2.91	0.744	-4.398	-3.078	4.685	-0.58	-1.021	-0.083	0.419	0.151	-0.408	-0.148	0.52	0.6	-0.514	-1.288	0.217	1.24	-0.302	0.311	-1.076	-0.313	1.118	-0.078	-0.13	-0.289	-0.006	0.068	0.103	-0.142	276.749	24.406	-3.742	0.379	-3.584	0.198	4.477	-1.558	-2.179	0.751	0.273	1.321	-0.862	-1.285	1.075	0.305	0.443	-0.995	-0.326	0.85	-0.037	0.092	-0.729	-0.013	0.68	-0.131	-0.397	-0.027	0.039	0.403	-0.043	-0.262	229.334	19.631	-2.067	-0.059	-3.396	0.148	3.452	-1.169	-1.295	0.385	0.346	0.784	-0.844	-0.718	0.939	0.207	0.098	-0.922	-0.09	0.789	-0.173	-0.016	-0.615	0.074	0.591	-0.208	-0.225	-0.034	0.123	0.243	-0.148	-0.136	503.275	29.231	-4.017	1.052	-4.557	-3.266	5.111	-0.665	-1.475	-0.047	0.431	0.31	-0.401	-0.308	0.509	0.708	-0.386	-1.303	0.129	1.297	-0.212	0.369	-1.136	-0.359	1.181	-0.041	-0.213	-0.281	-0.072	0.141	0.143	-0.215	225.109	18.989	-1.693	-0.159	-3.226	-0.184	3.218	-0.955	-1.028	0.286	0.382	0.5	-0.756	-0.483	0.842	0.22	-0.075	-0.944	0.049	0.788	-0.255	-0.015	-0.62	0.069	0.613	-0.251	-0.161	-0.036	0.128	0.171	-0.138	-0.104	612.442	31.808	-4.833	1.661	-5.165	-4.512	5.608	-0.598	-1.311	-0.238	0.451	0.129	-0.303	-0.076	0.331	0.849	-0.613	-1.466	0.257	1.477	-0.27	0.523	-1.292	-0.543	1.395	0.036	-0.184	-0.389	-0.097	0.07	0.181	-0.193	2316.998	167.993	-54.051	13.615	-4.29	-23.785	26.094	-0.285	-18.087	5.072	2.438	-1.27	2.588	-2.739	-1.444	6.331	0.42	-6.764	2.727	3.997	-1.363	4.513	-6.039	-1.925	6.49	-1.598	-2.814	1.696	-2.717	1.29	2.532	-3.118
ZINC03815027	595	33.279	-2.556	0.157	-5.2	-1.915	3.426	0.746	-0.506	-0.08	-0.528	0.412	-0.324	0.289	0.707	0.335	-0.529	-1.607	0.082	1.981	-0.504	0.008	-0.797	-0.421	1.001	0.07	-0.08	-0.623	-0.057	0.082	0.259	0.187	377.694	19.234	-4.163	-0.852	-4.204	2.35	3.292	-0.376	-2.235	1.081	-0.784	2.127	-1.245	-0.401	1.043	0.574	0.414	-1.067	-0.871	1.281	-0.062	-0.013	-0.262	-0.403	0.387	-0.15	-0.15	-0.549	0.412	0.262	-0.221	-0.227	272.164	19.49	-2.237	0.102	-3.655	0.622	3.005	-0.708	-1.196	0.528	-0.03	1.009	-0.857	-0.448	0.952	0.155	0.105	-0.906	-0.274	1.02	-0.177	-0.041	-0.438	-0.139	0.608	-0.171	-0.132	-0.221	0.141	0.247	-0.179	-0.002	600.217	33.809	-2.868	0.222	-5.366	-1.739	3.708	0.649	-0.813	-0.01	-0.473	0.569	-0.448	0.163	0.769	0.34	-0.415	-1.597	-0.092	2.011	-0.471	0.02	-0.761	-0.493	0.999	0.107	-0.125	-0.639	-0.019	0.11	0.218	0.178	306.22	19.864	-2.173	0.155	-3.739	0.213	2.693	-0.335	-0.987	0.449	-0.127	0.788	-0.716	-0.16	0.834	0.214	-0.066	-0.945	-0.16	1.099	-0.242	-0.041	-0.493	-0.127	0.615	-0.159	-0.106	-0.263	0.109	0.197	-0.116	0.021	754.115	40.231	-3.578	0.319	-5.896	-2.704	3.895	1.215	-0.532	-0.197	-0.72	0.425	-0.255	0.39	0.65	0.438	-0.625	-1.969	0.036	2.446	-0.64	0.028	-0.84	-0.661	1.137	0.212	-0.113	-0.824	-0.048	0.031	0.375	0.264	1640.803	99.358	-8.578	1.09	-18.071	-0.993	14.798	-0.66	-5.231	1.253	-1.629	4.722	-3.055	-1.684	3.663	0.744	0.136	-4.185	-2.121	5.697	-0.484	-0.027	-2.019	-1.73	2.806	0.568	-0.74	-1.949	0.316	0.896	0.123	0.291
ZINC03813434	1275	46.922	-12.756	8.527	-8.779	-2.074	2.437	2.005	2.239	-1.064	-0.318	-3.409	0.678	3.561	0.351	-0.373	-1.453	-2.004	1.728	2.26	-1.882	-0.271	-1.061	-0.537	0.833	0.441	0.508	-0.166	-1.331	-0.002	0.995	0.673	417.111	20.502	-6.99	1.324	-4.854	2.4	1.745	-1.189	-0.909	1.735	0.235	-0.069	-1.291	1.585	0.679	-0.577	-0.204	-0.377	1.015	-0.139	-0.45	-0.121	0.223	-0.049	-0.253	0.111	0.297	0.193	-0.344	-0.18	-0.006	0.379	380.65	21.487	-4.777	1.403	-4.199	1.085	1.725	-0.673	-0.039	0.742	0.198	-1.207	-0.705	1.764	0.358	-0.536	-0.516	-0.441	1.057	0.16	-0.73	0.021	-0.119	-0.19	0.026	0.072	0.341	-0.052	-0.428	-0.123	0.35	0.196	1236.416	47.19	-12.859	8.118	-8.734	-1.817	2.527	1.863	1.853	-0.822	-0.013	-3.448	0.456	3.521	0.458	-0.427	-1.418	-1.997	1.715	2.205	-1.863	-0.233	-0.926	-0.568	0.764	0.391	0.497	-0.088	-1.236	-0.126	0.912	0.712	477.036	23.923	-5.354	2.522	-4.743	0.421	1.627	-0.001	0.316	0.35	0.087	-1.528	-0.383	2.013	0.237	-0.519	-0.638	-0.574	1.128	0.346	-0.799	-0.022	-0.333	-0.231	0.17	0.193	0.334	-0.147	-0.561	-0.037	0.477	0.209	1690.558	57.774	-17.674	11.717	-10.65	-2.866	2.687	2.658	3.038	-1.481	-0.355	-4.119	0.936	4.217	0.469	-0.218	-1.684	-2.773	1.871	3.214	-2.425	-0.361	-1.197	-0.75	1.019	0.523	0.617	-0.077	-1.598	-0.089	1.132	0.951	2210.778	94.832	-24.192	12.958	-18.312	-1.522	6.24	2.357	1.496	0.266	0.927	-6.225	-0.626	6.599	2.17	-1.538	-2.835	-3.59	3.399	4.049	-3.31	-0.554	-0.973	-1.255	1.103	0.521	0.847	0.365	-2.058	-0.92	1.309	1.656
ZINC03815393	435	25.13	-2.185	1.1	-4.796	-2.024	3.643	-0.025	-0.808	0.249	0.361	0.349	-0.251	-0.362	0.739	0.205	-0.321	-1.175	0.133	1.17	-0.457	0.203	-0.909	-0.252	0.879	-0.322	0.014	-0.217	0.133	-0.012	-0.041	-0.027	297.591	19.967	-3.12	-0.05	-4.714	1.938	3.085	-1.258	-1.246	0.688	0.158	1.504	-0.706	-1.284	1.028	-0.207	0.611	-0.628	-0.38	1.033	-0.297	0.01	-0.474	0.018	0.561	-0.39	-0.129	0.047	0.267	0.086	-0.199	-0.113	230.744	17.924	-2.153	0.063	-3.671	0.743	2.854	-0.954	-1.067	0.475	0.254	0.921	-0.73	-0.775	0.984	0.005	0.199	-0.828	-0.104	0.897	-0.282	-0.03	-0.545	0.09	0.581	-0.365	-0.14	0.024	0.198	0.138	-0.231	-0.084	465.381	26.457	-2.646	1.382	-5.293	-1.825	3.808	-0.003	-0.921	0.272	0.322	0.565	-0.201	-0.527	0.76	0.123	-0.163	-1.115	0.049	1.184	-0.45	0.221	-0.887	-0.264	0.843	-0.331	0.026	-0.207	0.146	-0.007	-0.058	-0.04	234.221	17.96	-1.984	-0.047	-3.504	0.415	2.665	-0.774	-0.936	0.407	0.33	0.662	-0.674	-0.591	0.896	0.07	0.065	-0.892	-0.014	0.914	-0.314	-0.021	-0.588	0.06	0.637	-0.373	-0.116	0.006	0.164	0.118	-0.191	-0.061	545.514	28.951	-2.806	1.956	-5.849	-2.819	4.156	0.226	-0.771	0.18	0.41	0.358	-0.112	-0.37	0.69	0.201	-0.397	-1.267	0.083	1.293	-0.523	0.303	-0.987	-0.445	0.958	-0.285	0.066	-0.324	0.14	-0.062	-0.03	0.014	1922.79	108.45	-19.234	8.99	-20.534	-6.061	14.866	1.102	-6.037	2.467	-0.188	4.364	1.366	-4.199	2.339	-0.509	1.966	-2.891	0.309	3.706	-1.915	1.498	-3.172	-0.524	2.365	-1.715	-0.059	0.399	0.713	-0.255	-0.051	-1.071
ZINC03815187	630	32.092	-2.471	0.935	-5.328	-2.705	3.664	0.521	-0.688	0.201	-0.497	0.203	-0.481	0.289	0.842	0.438	-0.874	-1.668	0.414	2.002	-0.73	0.038	-0.925	-0.442	1.225	-0.086	-0.016	-0.39	-0.11	-0.008	0.089	0.159	375.512	18.254	-4.884	-0.744	-4.391	2.023	3.08	-0.83	-2.28	1.039	-0.524	1.873	-1.177	-0.605	1.461	0.456	0.383	-1.11	-0.358	1.263	-0.179	-0.098	-0.349	-0.423	0.621	-0.435	-0.15	-0.373	0.352	0.177	-0.467	-0.172	284.056	18.801	-2.327	0.215	-3.943	0.604	3.045	-0.852	-1.244	0.63	-0.029	0.967	-0.946	-0.5	1.154	0.126	0.067	-1.077	-0.003	1.083	-0.368	-0.061	-0.581	-0.065	0.731	-0.355	-0.147	-0.048	0.107	0.217	-0.323	0.028	627.737	32.583	-2.887	0.959	-5.469	-2.452	3.862	0.419	-0.946	0.263	-0.416	0.336	-0.578	0.172	0.936	0.44	-0.765	-1.645	0.264	2.033	-0.702	0.031	-0.889	-0.504	1.232	-0.078	-0.058	-0.383	-0.091	0.029	0.044	0.143	325.163	19.38	-2.223	0.325	-4.03	0.111	2.795	-0.5	-1.068	0.534	-0.111	0.74	-0.811	-0.212	1.015	0.201	-0.125	-1.111	0.124	1.15	-0.411	-0.056	-0.639	-0.085	0.753	-0.322	-0.123	-0.105	0.086	0.141	-0.264	0.045	790.274	38.933	-3.595	1.459	-5.898	-3.867	4.131	0.899	-0.729	0.151	-0.639	0.119	-0.446	0.405	0.808	0.595	-1.111	-1.949	0.423	2.435	-0.892	0.073	-0.939	-0.706	1.42	0.037	-0.006	-0.527	-0.145	-0.074	0.179	0.208	1642.803	92.964	-9.318	2.453	-18.75	-1.67	14.027	-1.402	-5.094	1.796	-1.324	3.874	-3.109	-1.637	4.492	0.683	-0.609	-4.475	-0.782	5.889	-1.384	-0.186	-2.51	-1.446	3.555	-0.441	-0.592	-0.974	-0.01	0.836	-0.476	0.101
ZINC03815190	630	34.276	-4.102	3.817	-5.4	-3.266	3.624	0.624	-0.557	0.088	-0.394	0.2	-0.499	0.334	0.66	0.398	-0.5	-1.784	0.121	1.537	-0.638	0.162	-1.058	-0.327	1.084	-0.016	0.059	-0.368	0.001	0.12	0.116	-0.126	375.512	19.159	-4.487	-0.865	-4.339	1.855	3.252	-0.602	-2.301	0.99	-0.598	1.779	-1.208	-0.677	1.269	0.347	0.346	-1.12	-0.596	1.138	-0.166	-0.119	-0.292	-0.391	0.611	-0.326	-0.041	-0.367	0.438	0.224	-0.323	-0.247	284.056	19.612	-2.269	0.213	-3.763	0.319	3.026	-0.698	-1.369	0.66	-0.023	0.843	-0.945	-0.529	1.022	0.097	0.092	-1.053	-0.174	0.948	-0.337	-0.074	-0.516	-0.034	0.703	-0.303	-0.085	-0.069	0.155	0.253	-0.224	-0.119	627.737	34.563	-4.211	3.621	-5.636	-2.976	3.819	0.538	-0.74	0.155	-0.345	0.346	-0.595	0.175	0.786	0.408	-0.41	-1.718	-0.054	1.591	-0.59	0.158	-1.014	-0.39	1.093	-0.012	0.038	-0.382	0.021	0.158	0.073	-0.137	325.163	20.56	-2.349	0.535	-3.744	-0.206	2.781	-0.321	-1.236	0.577	-0.076	0.602	-0.813	-0.242	0.862	0.168	-0.074	-1.112	-0.049	0.968	-0.388	-0.064	-0.578	-0.057	0.721	-0.277	-0.057	-0.105	0.137	0.192	-0.163	-0.114	790.274	41.311	-5.71	5.726	-6.499	-4.414	4.096	0.924	-0.28	-0.101	-0.517	0.225	-0.483	0.471	0.654	0.544	-0.588	-2.077	0.024	1.856	-0.731	0.275	-1.203	-0.522	1.204	0.143	0.093	-0.516	0.013	0.099	0.158	-0.138	1642.553	97.492	-11.533	5.883	-18.611	-3.333	14.462	-0.797	-4.793	1.787	-1.187	3.926	-3.061	-1.963	4.125	0.752	0.204	-4.404	-1.9	5.039	-1.137	0.119	-2.526	-1.338	3.401	-0.34	-0.266	-1.109	0.295	1.089	-0.277	-0.581
ZINC00600292	630	31.396	-2.69	0.407	-5.428	-1.839	3.297	0.503	-0.452	0.013	-0.138	0.501	-0.238	-0.202	1.692	0.119	-0.448	-1.635	0.161	2.087	-0.435	-0.088	-0.943	-0.326	1.009	0.298	-0.199	-0.498	0.026	0.178	0.049	0.03	415.828	17.468	-4.39	-0.911	-4.589	2.766	3.366	-0.917	-2.187	1.123	-0.402	2.282	-1.218	-0.816	1.847	0.471	0.43	-1.208	-0.63	1.422	-0.146	-0.181	-0.481	-0.388	0.682	-0.444	-0.214	-0.413	0.352	0.38	-0.512	-0.233	293.858	18.244	-2.296	0.011	-3.924	0.832	3.05	-0.911	-1.239	0.633	0.055	1.208	-0.894	-0.699	1.508	0.056	0.201	-1.119	-0.134	1.188	-0.269	-0.081	-0.635	-0.024	0.72	-0.297	-0.239	-0.088	0.112	0.289	-0.314	-0.048	647.111	32.081	-3.277	0.626	-5.738	-1.644	3.709	0.471	-0.862	0.016	0.06	0.7	-0.441	-0.297	1.838	0.117	-0.31	-1.618	-0.032	2.182	-0.442	-0.089	-0.898	-0.412	1.057	0.297	-0.255	-0.543	0.09	0.232	-0.053	0.03	322.72	18.372	-2.148	0.062	-3.914	0.335	2.623	-0.554	-0.964	0.547	-0.042	0.944	-0.681	-0.432	1.367	0.105	0.027	-1.141	0.009	1.199	-0.29	-0.069	-0.688	-0.035	0.684	-0.236	-0.192	-0.124	0.078	0.224	-0.22	-0.025	787.17	37.57	-3.722	0.935	-6.095	-2.636	3.685	0.988	-0.343	-0.204	-0.2	0.481	-0.123	-0.173	1.849	0.16	-0.563	-1.843	0.088	2.498	-0.494	-0.11	-0.963	-0.544	1.105	0.593	-0.237	-0.706	0.065	0.18	0.108	0.029	1853.972	96.096	-12.522	2.15	-20.281	0.434	15.461	-1.25	-6.035	1.132	0.588	5.428	-3.397	-2.74	7.246	0.231	0.719	-4.627	-1.857	6.864	-1.018	-0.414	-2.524	-1.392	3.655	0.19	-1.212	-1.638	0.529	1.457	-1.054	0.004
ZINC03815041	1326	61.589	-15.093	12.52	-10.342	-2.205	2.578	2.298	1.338	0.116	0.163	-4.209	0.272	3.834	0.16	-0.346	-1.142	-1.635	1.572	1.961	-1.705	0.596	-0.778	-0.42	0.619	0.424	0.234	0.01	-1.193	0.032	1.033	0.455	457.088	28.437	-5.905	0.204	-4.131	3.92	1.542	-1.032	-1.3	1.8	0.141	-0.17	-1.255	1.089	1.092	-0.729	-0.242	-0.44	1.088	-0.104	-0.284	-0.09	0.35	0.015	0.072	0.183	0.253	0.116	-0.458	-0.143	-0.172	0.274	400.65	26.482	-5.07	0.927	-3.849	1.42	1.477	-0.544	-0.314	1.04	0.216	-1.479	-0.639	1.575	0.47	-0.651	-0.564	-0.426	1.07	0.154	-0.641	0.177	-0.077	-0.13	0.006	0.183	0.203	-0.079	-0.421	-0.044	0.364	0.159	1303.079	62.703	-15.039	12.039	-10.308	-2.01	2.666	2.134	1.115	0.297	0.413	-4.297	0.074	3.701	0.361	-0.342	-1.134	-1.603	1.464	1.938	-1.69	0.519	-0.634	-0.462	0.553	0.398	0.239	0.068	-1.077	-0.078	0.92	0.484	491.252	29.482	-5.978	2.159	-4.392	0.725	1.324	0.224	-0.106	0.771	0.155	-1.831	-0.393	1.926	0.3	-0.628	-0.651	-0.547	1.191	0.302	-0.677	0.268	-0.257	-0.158	0.133	0.292	0.189	-0.153	-0.558	0.018	0.525	0.149	1761.587	77.076	-20.717	18.341	-13.612	-3.122	3.21	2.857	2.073	0.024	0.232	-5.177	0.295	4.662	0.186	-0.127	-1.229	-2.164	1.546	2.788	-2.213	0.723	-0.835	-0.621	0.742	0.447	0.307	0.165	-1.387	-0.057	1.122	0.655	2578.402	143.028	-30.511	22.175	-20.4	-2.464	6.015	2.872	0.375	2.146	2.313	-8.879	-1.359	6.206	2.694	-0.49	-2.466	-2.75	1.803	3.584	-3.081	0.1	0.166	-1.19	0.701	0.495	0.418	0.695	-1.346	-0.821	0.684	1.157
ZINC03815212	435	23.949	-2.231	0.695	-4.505	-1.245	3.581	0.048	-0.96	0.32	0.317	0.679	-0.499	-0.182	0.733	0.612	-0.422	-0.978	0.045	1.087	-0.384	0.006	-0.655	-0.268	0.778	-0.35	-0.117	-0.047	0.182	-0.085	-0.11	-0.031	461.513	17.022	-4.848	0.133	-5.156	3.763	2.529	-0.38	-1.72	0.564	-0.974	2.086	-0.956	-0.474	1.317	0.709	0.227	-0.828	-0.662	1.186	-0.222	-0.28	-0.084	-0.285	0.36	-0.637	-0.2	-0.307	0.516	0.002	-0.289	-0.321	252.949	17.669	-2.356	0.193	-3.667	1.16	2.699	-0.854	-1.178	0.486	0.098	1.116	-0.845	-0.591	0.996	0.309	0.107	-0.828	-0.124	0.874	-0.289	-0.154	-0.402	0.033	0.506	-0.434	-0.177	0.036	0.232	0.082	-0.287	-0.087	472.275	25.285	-2.646	0.915	-4.983	-0.942	3.821	0.054	-1.124	0.37	0.205	0.94	-0.508	-0.322	0.745	0.664	-0.334	-0.905	-0.058	1.093	-0.383	-0.016	-0.582	-0.318	0.748	-0.383	-0.138	-0.022	0.19	-0.108	-0.137	-0.066	263.557	17.378	-2.336	0.169	-3.529	0.875	2.39	-0.6	-1.029	0.415	0.158	0.881	-0.771	-0.377	0.929	0.36	-0.02	-0.868	-0.077	0.932	-0.329	-0.124	-0.459	0.004	0.527	-0.419	-0.151	-0.009	0.223	0.062	-0.243	-0.076	540.383	27.438	-2.747	1.254	-5.417	-1.84	4.201	0.327	-0.972	0.243	0.385	0.757	-0.453	-0.176	0.682	0.73	-0.529	-0.978	-0.027	1.189	-0.403	0.05	-0.668	-0.463	0.848	-0.304	-0.124	-0.078	0.201	-0.151	-0.104	-0.016	2011.241	105.677	-16.423	7.635	-19.066	-0.111	15.98	0.979	-7.803	4.432	-2.21	7.008	-0.735	-3.02	1.593	3.958	0.114	-2.079	-0.309	2.823	-1.626	0.113	-1.037	-1.392	2.665	-2.627	-0.796	1.136	0.375	-1.051	-0.323	-1.3
ZINC03815031	630	31.131	-3.524	1.443	-5.432	-1.587	3.264	0.367	-0.232	0.274	0.046	0.486	-0.42	-0.31	1.736	0.065	-0.573	-1.691	0.222	2.188	-0.783	0.092	-1.067	-0.331	1.082	0.063	-0.162	-0.345	-0.19	0.175	0.01	0.049	415.828	21.127	-4.408	1.559	-4.449	2.951	3.246	-1.029	-2.699	1.58	-0.099	2.2	-1.547	-1.009	1.376	-0.158	0.217	-1.125	-0.68	1.63	-0.388	-0.191	-0.592	-0.164	0.832	-0.316	-0.218	-0.074	0.263	0.475	-0.541	-0.193	293.858	18.727	-2.542	0.616	-3.976	1.203	2.987	-1.03	-1.259	0.851	0.206	1.111	-1.082	-0.734	1.513	-0.109	0.122	-1.166	-0.119	1.268	-0.474	-0.021	-0.708	-0.018	0.783	-0.388	-0.245	0.049	0.015	0.279	-0.376	-0.054	647.111	31.798	-3.904	1.617	-5.675	-1.341	3.617	0.309	-0.687	0.341	0.281	0.667	-0.619	-0.419	1.858	0.03	-0.473	-1.684	0.034	2.264	-0.801	0.074	-1.032	-0.41	1.116	0.065	-0.235	-0.361	-0.131	0.222	-0.103	0.049	322.72	19.184	-2.533	0.867	-4.01	0.727	2.64	-0.674	-1.045	0.723	0.126	0.882	-0.902	-0.49	1.36	-0.05	-0.052	-1.163	-0.008	1.304	-0.482	0.016	-0.759	-0.016	0.78	-0.312	-0.179	-0.003	-0.027	0.229	-0.266	-0.027	787.17	36.893	-4.516	1.957	-6.058	-2.417	3.587	0.779	-0.052	0.103	0.012	0.517	-0.273	-0.364	1.892	0.145	-0.722	-1.956	0.183	2.586	-0.907	0.118	-1.115	-0.534	1.184	0.286	-0.185	-0.51	-0.222	0.178	0.083	0.064	1853.972	97.005	-11.533	4.706	-20.064	1.969	14.804	-1.867	-6.016	2.765	1.662	4.972	-3.877	-3.146	7.028	-0.352	-0.107	-5.023	-1.51	6.896	-2.132	-0.216	-3.103	-1.382	3.695	-0.413	-1.349	-0.889	-0.083	1.427	-1.422	0.015
ZINC03815045	1326	54.69	-14.049	11.546	-10.686	-1.141	1.579	1.495	2.064	-0.585	0.333	-4.023	-0.282	3.774	0.045	-0.601	-1.216	-1.776	1.885	2.218	-1.595	-0.161	-0.522	-0.392	0.374	0.468	0.232	-0.281	-1.205	0.061	1.009	0.416	457.088	23.056	-6.166	1.646	-4.444	4.609	0.495	-1.686	-1.176	1.694	-0.112	-0.182	-0.91	0.851	0.714	-0.732	-0.367	-0.494	1.199	-0.162	-0.378	-0.225	0.373	-0.362	-0.158	-0.091	0.148	0.169	-0.321	-0.011	0.035	0.421	400.65	23.889	-4.782	1.507	-4.108	1.928	1.011	-0.968	-0.169	0.856	0.21	-1.423	-0.584	1.449	0.426	-0.702	-0.624	-0.419	1.029	0.135	-0.645	0.011	0.088	-0.265	-0.093	0.147	0.181	-0.103	-0.432	-0.062	0.43	0.153	1303.079	55.305	-13.925	11.337	-10.603	-0.876	1.557	1.32	1.87	-0.37	0.592	-4.052	-0.401	3.684	0.235	-0.589	-1.231	-1.744	1.793	2.152	-1.566	-0.192	-0.356	-0.455	0.308	0.403	0.243	-0.232	-1.092	-0.041	0.919	0.464	491.252	26.521	-5.54	2.61	-4.714	1.299	0.849	-0.267	0.028	0.559	0.142	-1.749	-0.348	1.766	0.245	-0.704	-0.696	-0.539	1.157	0.317	-0.678	0.005	-0.081	-0.295	0.028	0.268	0.156	-0.172	-0.563	0.013	0.569	0.145	1761.587	67.982	-19.285	16.599	-13.794	-1.804	1.863	1.931	3.127	-0.92	0.484	-4.926	-0.548	4.672	0.043	-0.492	-1.349	-2.434	2.092	3.186	-2.064	-0.232	-0.539	-0.496	0.415	0.493	0.349	-0.286	-1.392	0.008	1.084	0.617	2578.402	119.076	-27.481	24.19	-21.59	0.74	2.959	0.857	2.497	1.23	2.782	-7.954	-1.692	6.427	1.986	-0.897	-2.732	-2.855	2.753	3.691	-2.79	-1.026	0.925	-1.421	0.224	0.095	0.341	-0.029	-1.359	-0.645	0.954	1.315
ZINC03815292	703	32.219	-1.738	-0.238	-5.315	-2.657	3.577	0.494	-0.442	0.322	-0.659	0.207	-0.615	0.175	1.049	0.48	-0.36	-1.773	-0.042	2.057	-0.493	-0.212	-0.779	-0.761	1.077	0.097	-0.171	-0.225	-0.301	0.229	0.16	-0.164	411.353	18.17	-4.744	-0.791	-4.675	2.03	3.402	-0.872	-2.295	1.053	-0.677	2.363	-1.372	-0.657	1.641	0.297	0.529	-1.171	-0.703	1.367	-0.151	-0.103	-0.454	-0.418	0.578	-0.268	-0.13	-0.455	0.448	0.21	-0.354	-0.271	309.046	19.055	-2.174	0.109	-3.988	0.397	3.29	-0.866	-1.316	0.688	-0.169	1.255	-1.106	-0.527	1.25	0.077	0.27	-1.115	-0.254	1.156	-0.319	-0.1	-0.625	-0.131	0.687	-0.256	-0.176	-0.113	0.09	0.266	-0.251	-0.109	704.364	32.928	-2.152	-0.039	-5.626	-2.465	3.803	0.403	-0.722	0.423	-0.653	0.377	-0.747	0.052	1.195	0.472	-0.248	-1.757	-0.22	2.104	-0.454	-0.177	-0.776	-0.816	1.05	0.13	-0.211	-0.246	-0.253	0.229	0.128	-0.183	351.492	19.401	-2.002	0.131	-3.969	-0.063	3.005	-0.507	-1.098	0.596	-0.211	0.986	-0.965	-0.248	1.091	0.142	0.096	-1.157	-0.134	1.195	-0.352	-0.145	-0.64	-0.174	0.72	-0.22	-0.161	-0.132	0.053	0.226	-0.197	-0.104	892.579	39.382	-2.52	-0.168	-6.102	-3.717	3.881	0.85	-0.297	0.326	-0.891	-0.02	-0.583	0.268	1.117	0.706	-0.462	-2.096	-0.162	2.532	-0.54	-0.21	-0.762	-1.142	1.165	0.284	-0.215	-0.285	-0.401	0.211	0.263	-0.204	1917.639	96.202	-7.531	2.109	-21.643	-2.381	14.443	-1.185	-4.993	2.36	-3.093	4.872	-4.127	-1.883	5.899	0.63	0.883	-4.727	-2.813	6.414	-0.658	-0.076	-2.641	-2.267	2.663	0.435	-0.925	-1.034	-0.136	0.835	0.022	-0.865
ZINC00601499	561	30.699	-2.963	2.964	-4.726	-2.821	3.959	0.303	-0.959	-0.094	0.004	0.73	-0.578	-0.047	0.666	0.329	-0.314	-1.373	-0.14	1.537	-0.41	0.02	-0.919	-0.197	0.902	-0.024	0.072	-0.418	-0.007	0.226	0.066	-0.105	410.855	21.787	-4.03	1.957	-4.517	1.943	3.708	-0.642	-2.81	1.312	-0.588	2.358	-1.387	-0.901	0.691	-0.085	0.362	-0.884	-0.703	1.326	-0.054	-0.209	-0.38	-0.207	0.788	-0.062	-0.032	-0.377	0.577	0.285	-0.231	-0.378	276.463	19.235	-2.058	0.616	-3.647	0.309	3.319	-0.721	-1.561	0.569	-0.021	1.151	-0.924	-0.71	0.884	0.07	0.163	-0.83	-0.342	1.009	-0.238	-0.074	-0.48	0.002	0.683	-0.174	-0.097	-0.137	0.248	0.214	-0.156	-0.167	580.821	31.843	-3.349	3.312	-5.218	-2.555	4.326	0.232	-1.187	0.032	-0.086	0.998	-0.69	-0.23	0.745	0.305	-0.231	-1.312	-0.325	1.61	-0.38	0.03	-0.907	-0.27	0.939	0.011	0.044	-0.439	0.027	0.258	0.013	-0.126	298.579	19.278	-1.972	0.822	-3.388	-0.168	2.998	-0.416	-1.409	0.464	0.038	0.904	-0.835	-0.416	0.748	0.122	0.012	-0.9	-0.219	1.021	-0.278	-0.074	-0.528	0.039	0.653	-0.166	-0.056	-0.166	0.233	0.186	-0.101	-0.135	708.05	36.773	-4.097	4.509	-5.699	-3.838	4.531	0.5	-0.791	-0.273	-0.005	0.869	-0.588	-0.026	0.705	0.43	-0.378	-1.566	-0.289	1.835	-0.441	0.062	-1.056	-0.369	1.002	0.086	0.117	-0.56	-0.064	0.287	0.069	-0.107	1931.098	109.328	-14.384	14.296	-22.513	-1.847	19.206	-1.045	-7.708	2.929	-3.153	7.608	-3.58	-3.673	2.948	0.149	0.409	-2.89	-2.681	5.327	-0.655	-0.295	-1.987	-1.495	3.597	0.212	-0.319	-1.468	0.713	0.753	-0.517	-0.654
ZINC03815206	595	29.985	-2.858	0.894	-5.095	-1.706	3.994	-0.208	-0.316	-0.239	0.236	0.097	-0.397	-0.404	1.726	-0.363	-0.178	-1.728	0.139	2.416	-0.619	-0.204	-0.925	-0.067	1.24	0.121	-0.148	-0.469	-0.114	0.227	0.138	-0.086	331.385	20.005	-3.256	0.154	-4.904	2.402	3.786	-1.964	-1.065	0.669	0.549	1.512	-1.334	-1.575	1.924	-0.243	0.641	-1.121	-0.661	1.867	-0.376	-0.052	-0.498	0.016	1.125	-0.508	-0.324	0.036	0.052	0.38	-0.421	-0.253	281.84	18.175	-2.275	0.295	-3.961	0.789	3.137	-1.201	-0.876	0.39	0.39	0.884	-0.966	-0.869	1.551	-0.265	0.276	-1.113	-0.169	1.509	-0.328	-0.067	-0.602	0.118	0.9	-0.351	-0.287	-0.017	0.025	0.285	-0.288	-0.131	622.652	30.906	-3.577	1.171	-5.513	-1.466	4.407	-0.291	-0.636	-0.225	0.477	0.298	-0.622	-0.581	1.912	-0.419	-0.012	-1.728	-0.042	2.567	-0.661	-0.204	-0.864	-0.139	1.328	0.114	-0.202	-0.487	-0.075	0.284	0.036	-0.108	297.14	18.281	-2.093	0.438	-3.907	0.408	2.777	-0.89	-0.62	0.223	0.333	0.546	-0.733	-0.639	1.401	-0.272	0.129	-1.146	-0.024	1.482	-0.334	-0.077	-0.645	0.132	0.862	-0.287	-0.24	-0.038	-0.026	0.222	-0.19	-0.087	740.84	35.432	-3.951	1.403	-5.518	-2.436	4.568	0.052	-0.226	-0.466	0.232	0.046	-0.289	-0.412	1.853	-0.427	-0.193	-1.959	0.1	2.848	-0.774	-0.255	-0.942	-0.182	1.368	0.346	-0.119	-0.665	-0.122	0.239	0.263	-0.112	1932.004	95.223	-14.565	4.659	-21.208	1.04	16.613	-3.566	-3.966	0.482	2.49	3.859	-4.174	-4.197	7.801	-1.66	1.845	-4.872	-2.16	8.632	-1.785	-0.463	-2.333	-0.81	4.788	-0.294	-1.076	-1.174	-0.03	1.455	-0.818	-0.605
ZINC01386818	630	32.265	-2.781	0.734	-5.699	-1.929	3.856	0.233	-0.382	-0.253	-0.064	0.426	-0.294	-0.462	1.808	0.059	-0.407	-1.664	0.062	2.103	-0.404	-0.101	-0.953	-0.31	1.16	0.322	-0.233	-0.473	0.008	0.262	0.079	-0.009	297.469	20.324	-2.513	-0.359	-4.359	1.655	4.538	-1.905	-1.841	0.801	-0.027	2.003	-1.352	-1.58	2.096	-0.042	0.607	-1.174	-0.662	1.422	-0.209	-0.067	-0.685	-0.066	0.971	-0.348	-0.347	-0.067	0.103	0.57	-0.403	-0.158	278.843	18.917	-2.053	0.062	-3.96	0.69	3.445	-1.161	-1.205	0.5	0.112	1.172	-0.934	-0.902	1.613	-0.044	0.242	-1.139	-0.185	1.208	-0.26	-0.057	-0.677	0.029	0.806	-0.284	-0.261	-0.029	0.072	0.35	-0.293	-0.052	657.128	33.158	-3.439	1.061	-6.114	-1.798	4.43	0.139	-0.796	-0.314	0.125	0.634	-0.528	-0.634	2.001	0.057	-0.252	-1.664	-0.188	2.226	-0.41	-0.098	-0.928	-0.407	1.256	0.34	-0.305	-0.518	0.062	0.353	-0.005	-0.027	288.604	18.906	-1.788	0.18	-3.873	0.191	3.025	-0.839	-0.857	0.379	0.08	0.839	-0.704	-0.643	1.447	-0.033	0.059	-1.153	0.016	1.175	-0.267	-0.058	-0.711	0.057	0.769	-0.233	-0.213	-0.037	0.034	0.264	-0.206	-0.015	806.695	38.573	-4.126	1.541	-6.598	-2.738	4.445	0.637	-0.245	-0.588	-0.115	0.382	-0.223	-0.521	2.002	0.132	-0.52	-1.876	-0.097	2.53	-0.454	-0.135	-0.981	-0.558	1.325	0.645	-0.298	-0.691	0.043	0.313	0.157	-0.039	2164.599	101.848	-14.367	4.405	-22.716	-1.756	20.486	-3.483	-6.229	-0.452	-0.227	6.04	-4.398	-5.198	9.211	-0.074	1.308	-5.316	-3.694	8.005	-0.86	-0.185	-3.228	-1.745	4.994	0.709	-1.528	-1.651	0.16	2.578	-0.526	-0.524
ZINC00009851	666	33.236	-2.475	1.426	-5.417	-2.361	3.622	0.155	-0.371	-0.113	-0.051	0.427	-0.539	-0.42	1.835	-0.024	-0.357	-1.632	0.054	2.036	-0.351	-0.128	-0.879	-0.272	1.162	0.22	-0.212	-0.513	0.004	0.285	0.086	-0.041	293.713	20.815	-2.351	-0.421	-4.359	1.911	4.552	-1.853	-1.734	0.961	0.039	1.947	-1.425	-1.513	1.973	-0.086	0.583	-1.109	-0.591	1.335	-0.259	-0.096	-0.618	-0.03	0.982	-0.389	-0.354	-0.056	0.092	0.552	-0.416	-0.16	286.785	19.314	-1.903	0.164	-3.964	0.68	3.441	-1.153	-1.189	0.562	0.119	1.166	-1.012	-0.89	1.581	-0.069	0.26	-1.127	-0.177	1.175	-0.263	-0.064	-0.659	0.045	0.827	-0.307	-0.266	-0.048	0.063	0.359	-0.285	-0.072	687.149	34.538	-2.805	1.721	-5.936	-2.198	4.171	0.109	-0.717	-0.089	0.161	0.589	-0.801	-0.567	2.012	-0.018	-0.202	-1.604	-0.175	2.133	-0.367	-0.108	-0.834	-0.359	1.252	0.203	-0.292	-0.54	0.06	0.371	-0.015	-0.045	301.244	19.228	-1.751	0.349	-3.86	0.119	3.013	-0.857	-0.875	0.393	0.076	0.85	-0.781	-0.646	1.436	-0.059	0.084	-1.153	0.007	1.151	-0.255	-0.066	-0.704	0.07	0.79	-0.252	-0.214	-0.069	0.025	0.282	-0.19	-0.04	842.245	39.891	-3.452	2.404	-6.097	-3.383	4.018	0.576	-0.214	-0.34	-0.094	0.368	-0.529	-0.429	2.041	0.009	-0.455	-1.817	-0.066	2.426	-0.387	-0.169	-0.856	-0.496	1.286	0.494	-0.257	-0.725	0.044	0.316	0.153	-0.053	2111.432	112.106	-8.769	4.735	-23.125	-0.727	19.487	-2.489	-4.976	1.684	0.64	5.023	-5.362	-4.338	8.375	-0.391	1.375	-4.619	-3.019	7.08	-1.138	-0.169	-2.399	-1.405	4.793	-0.303	-1.529	-1.427	0.257	2.463	-0.967	-0.292
ZINC03815362	528	28.185	-2.821	0.011	-5.114	-3.445	4.714	-0.487	-0.743	-0.281	0.352	0.013	-0.644	-0.133	1.055	0.423	-0.171	-1.591	-0.213	1.349	-0.04	0.239	-1.011	-0.378	1.013	-0.114	-0.132	-0.153	0.062	-0.013	0.154	-0.378	306.97	22.979	-4.215	-0.151	-4.126	0.411	4.503	-1.636	-2.271	0.665	0.036	1.446	-0.983	-1.459	1.548	0.292	0.702	-1.112	-0.486	0.893	0.023	0.073	-0.757	-0.112	0.7	-0.16	-0.366	-0.101	0.103	0.284	0.066	-0.494	251.849	19.535	-2.202	-0.31	-3.778	0.239	3.504	-1.193	-1.358	0.278	0.258	0.873	-0.941	-0.791	1.189	0.148	0.259	-1.003	-0.239	0.846	-0.108	-0.037	-0.629	0.028	0.577	-0.214	-0.231	-0.047	0.151	0.18	-0.11	-0.252	572.175	29.966	-3.915	0.214	-5.492	-3.689	5.149	-0.629	-1.085	-0.238	0.338	0.12	-0.64	-0.351	1.173	0.54	0.038	-1.665	-0.29	1.375	0.059	0.309	-1.079	-0.456	1.073	-0.085	-0.175	-0.178	0.027	0.036	0.213	-0.499	247.107	19.217	-1.775	-0.332	-3.522	-0.132	3.264	-0.948	-1.087	0.183	0.349	0.578	-0.865	-0.512	1.03	0.148	0.052	-1.018	-0.118	0.858	-0.179	-0.039	-0.621	0.043	0.589	-0.249	-0.188	-0.019	0.14	0.127	-0.124	-0.189	702.916	33.419	-4.557	0.52	-6.257	-5.24	5.668	-0.488	-0.713	-0.445	0.328	-0.189	-0.6	-0.074	1.161	0.643	-0.111	-1.95	-0.31	1.587	0.101	0.447	-1.209	-0.651	1.238	-0.02	-0.14	-0.204	0.016	-0.05	0.264	-0.544	2647.056	154.269	-55.228	9.576	-10.213	-25.61	26.027	-0.945	-15.13	5.054	1.294	-2.004	1.654	-4.05	3.345	6.031	3.208	-8.607	1.644	3.718	-0.606	4.421	-5.714	-2.995	6.387	-1.954	-1.982	1.317	-1.93	0.339	3.443	-5.336
ZINC03815129	528	28.455	-3.016	1.841	-4.776	-3.359	4.534	-0.58	-0.905	-0.162	0.338	0.122	-0.545	-0.174	0.826	0.603	-0.307	-1.425	-0.077	1.437	-0.154	0.236	-1.018	-0.425	1.044	-0.076	-0.17	-0.072	-0.045	0.085	-0.033	-0.148	306.97	24.608	-3.728	0.3	-3.821	0.038	4.829	-1.577	-2.234	0.893	0.16	1.557	-0.885	-1.441	1.271	0.306	0.538	-1.006	-0.427	0.936	-0.01	0.114	-0.77	-0.039	0.737	-0.122	-0.417	-0.02	0.026	0.418	-0.04	-0.287	251.849	19.988	-2.114	0.097	-3.6	0.06	3.595	-1.207	-1.32	0.429	0.291	0.872	-0.9	-0.793	1.077	0.194	0.185	-0.951	-0.193	0.845	-0.145	-0.019	-0.628	0.035	0.596	-0.191	-0.246	0.002	0.117	0.255	-0.174	-0.146	572.175	30.753	-4.035	2.167	-5.017	-3.606	5.021	-0.649	-1.31	-0.08	0.321	0.305	-0.533	-0.358	0.848	0.736	-0.195	-1.442	-0.164	1.505	-0.047	0.308	-1.089	-0.485	1.117	-0.031	-0.249	-0.07	-0.109	0.153	0.005	-0.225	247.107	19.307	-1.791	0.124	-3.421	-0.244	3.275	-0.997	-1.044	0.282	0.353	0.545	-0.827	-0.533	0.962	0.199	0.023	-0.984	-0.065	0.838	-0.22	-0.031	-0.619	0.03	0.599	-0.233	-0.187	0.019	0.123	0.183	-0.18	-0.109	702.916	34.191	-4.789	3.199	-5.69	-5.002	5.386	-0.535	-1.059	-0.302	0.296	0.062	-0.454	-0.094	0.775	0.901	-0.376	-1.657	-0.129	1.783	-0.044	0.432	-1.211	-0.712	1.3	0.026	-0.215	-0.082	-0.158	0.077	-0.006	-0.203	2647.056	168.509	-53.59	16.627	-7.492	-25.97	27.157	-0.077	-16.8	5.692	1.413	-0.187	2.505	-3.782	0.175	6.641	0.774	-7.121	1.735	4.771	-0.52	4.547	-6.01	-2.317	6.561	-1.553	-2.903	2.233	-2.873	1.255	2.238	-3.248
ZINC03815235	595	31.337	-3.084	2.853	-4.774	-3.085	3.846	0.31	-0.759	0.138	-0.249	0.255	-0.537	0.118	0.605	0.513	-0.607	-1.501	-0.051	1.507	-0.514	0.177	-0.901	-0.316	1.007	-0.069	-0.041	-0.374	-0.045	0.084	-0.056	-0.135	408.577	20.552	-4.718	-0.444	-4.746	2.067	3.722	-0.597	-2.601	0.748	-0.684	1.907	-1.216	-0.76	0.916	0.355	0.256	-1.018	-0.56	1.061	-0.208	-0.167	-0.371	-0.457	0.554	-0.367	-0.247	-0.524	0.438	0.167	-0.384	-0.307	288.45	19.603	-2.287	0.325	-3.793	0.405	3.241	-0.765	-1.496	0.489	-0.006	0.953	-0.998	-0.544	0.87	0.155	0.086	-0.936	-0.156	0.944	-0.319	-0.018	-0.545	-0.044	0.643	-0.315	-0.179	-0.127	0.15	0.211	-0.294	-0.122	607.906	32.326	-3.528	3.065	-5.232	-2.78	4.195	0.246	-0.974	0.204	-0.318	0.48	-0.622	-0.057	0.668	0.504	-0.521	-1.441	-0.221	1.55	-0.473	0.172	-0.878	-0.375	0.997	-0.055	-0.067	-0.395	-0.018	0.116	-0.097	-0.148	317.289	19.951	-2.212	0.412	-3.543	-0.128	2.921	-0.444	-1.327	0.436	0.02	0.683	-0.894	-0.264	0.768	0.238	-0.076	-1	-0.055	0.973	-0.364	-0.009	-0.603	-0.047	0.656	-0.301	-0.155	-0.164	0.128	0.158	-0.25	-0.119	743.103	37.15	-4.189	4.401	-5.725	-4.161	4.346	0.538	-0.515	0.045	-0.394	0.232	-0.473	0.134	0.622	0.66	-0.78	-1.715	-0.219	1.788	-0.555	0.251	-0.981	-0.5	1.12	0.073	-0.016	-0.504	-0.073	0.074	-0.037	-0.155	1933.098	110.046	-15.283	11.435	-21.774	-2.722	19.301	-1.256	-6.832	2.372	-3.253	5.605	-3.118	-2.98	2.528	0.88	-0.313	-3.414	-2.318	4.86	-1.092	0.113	-1.917	-1.546	2.923	-0.185	-0.656	-1.27	0.544	0.553	-0.827	-0.527
ZINC03815075	630	31.308	-2.608	0.365	-5.279	-2.005	3.534	0.395	-0.414	-0.064	-0.035	0.289	-0.189	-0.265	1.67	0.054	-0.405	-1.616	0.236	2.086	-0.45	-0.082	-0.911	-0.192	1.096	0.272	-0.256	-0.414	-0.02	0.176	0.07	0.022	507.172	15.22	-5.544	-1.267	-4.254	1.713	4.867	-1.096	-2.522	1.188	-0.013	0.687	-1.301	-0.512	1.463	0.334	0.546	-0.979	-0.432	1.42	-0.935	0.115	-0.602	0.592	0.896	-0.424	-0.796	0.475	-0.305	0.512	-0.295	0.068	300.678	18.018	-2.334	-0.007	-3.813	0.622	3.298	-0.994	-1.269	0.596	0.157	0.958	-0.888	-0.69	1.454	-0.003	0.222	-1.087	-0.096	1.199	-0.348	-0.037	-0.659	0.138	0.766	-0.299	-0.32	0.056	0.018	0.315	-0.289	-0.017	641.46	32.088	-3.142	0.613	-5.589	-1.84	3.984	0.346	-0.805	-0.073	0.174	0.468	-0.392	-0.378	1.815	0.04	-0.258	-1.597	0.056	2.17	-0.466	-0.084	-0.863	-0.265	1.158	0.273	-0.316	-0.451	0.037	0.229	-0.025	0.028	354.232	17.795	-2.355	-0.036	-3.698	-0.006	2.966	-0.63	-1.068	0.514	0.121	0.52	-0.646	-0.351	1.253	0.031	0.062	-1.085	0.071	1.256	-0.415	0.001	-0.722	0.225	0.748	-0.25	-0.337	0.104	-0.074	0.262	-0.187	0.014	782.428	37.58	-3.58	0.907	-5.933	-2.82	3.951	0.867	-0.271	-0.297	-0.091	0.253	-0.067	-0.265	1.834	0.088	-0.508	-1.826	0.181	2.484	-0.503	-0.116	-0.911	-0.4	1.212	0.562	-0.292	-0.627	0.022	0.168	0.136	0.016	1816.697	96.523	-11.947	2.178	-19.818	-0.489	16.496	-1.734	-5.793	0.89	1.037	4.503	-3.322	-3.004	7.133	-0.09	0.925	-4.468	-1.562	6.791	-1.285	-0.377	-2.477	-0.794	3.961	0.186	-1.466	-1.201	0.217	1.484	-0.932	0.093
ZINC03813431	1128	38.486	-14.065	7.52	-8.775	-3.294	2.341	1.125	1.367	-0.056	0.017	-3.628	0.021	3.351	0.096	-0.434	-0.94	-2.309	1.463	1.441	-0.883	0.504	-0.423	-0.326	0.286	0.473	0.439	0.059	-1.173	-0.07	0.847	0.02	343.937	19.441	-6.597	0.164	-3.812	2.151	2.512	-1.869	-1.495	1.656	0.242	-0.447	-1.084	0.718	0.347	-0.383	-0.342	-0.58	0.889	-0.097	-0.464	0.276	0.139	-0.217	-0.15	0.095	0.27	0.101	-0.363	-0.087	0.329	0.015	343.243	19.028	-5.034	0.881	-3.916	1.244	1.545	-0.964	-0.334	0.844	0.404	-1.227	-0.677	1.406	0.203	-0.479	-0.509	-0.624	0.885	-0.027	-0.382	0.321	-0.031	-0.152	-0.162	0.25	0.268	-0.079	-0.406	-0.01	0.369	-0.013	1158.358	39.319	-15.073	7.554	-8.98	-3.256	2.786	0.969	1.036	0.056	0.256	-3.802	-0.041	3.125	0.176	-0.396	-0.909	-2.452	1.506	1.415	-0.865	0.524	-0.308	-0.43	0.298	0.461	0.429	0.174	-1.172	-0.138	0.838	0.015	381.366	20.469	-5.149	1.449	-4.037	0.546	1.316	-0.471	0.026	0.576	0.401	-1.612	-0.441	1.755	0.107	-0.495	-0.604	-0.726	0.96	0.076	-0.415	0.357	-0.16	-0.136	-0.105	0.3	0.272	-0.129	-0.494	0.023	0.441	-0.035	1562.016	46.738	-20.172	11.132	-11.369	-5.077	3.101	1.44	2.114	-0.271	-0.082	-4.705	0.057	4.002	0.138	-0.357	-1.039	-3.214	1.66	2.124	-1.14	0.624	-0.363	-0.485	0.41	0.516	0.545	0.29	-1.47	-0.212	0.983	0.032	3363.525	129.913	-77.609	22.519	-11.209	-19.355	15.755	4.603	-9.394	5.535	3.052	-13.486	3.418	3.52	-2.928	3.023	-1.396	-9.42	6.91	1.776	-3.386	3.489	-0.549	-3.535	3.75	-0.731	0.437	3.714	-4.705	-0.808	3.529	-1.78
ZINC01386782	630	31.076	-2.929	1.376	-5.135	-2.208	3.167	0.409	-0.45	0.009	-0.154	0.346	-0.383	-0.21	1.636	0.03	-0.464	-1.59	0.122	2.085	-0.411	-0.066	-0.929	-0.254	1.063	0.364	-0.163	-0.541	0.02	0.164	0.05	0.041	415.828	19.24	-3.011	2.003	-4.792	1.125	3.177	-1.063	-1.84	1.45	-0.342	1.754	-1.481	-1.243	1.543	0.175	0.554	-1.045	-0.728	1.299	-0.316	-0.142	-0.403	-0.199	0.841	-0.282	-0.224	-0.449	0.371	0.419	-0.377	-0.137	293.858	18.347	-2.199	0.608	-3.93	0.581	3.057	-0.941	-1.216	0.685	0.054	1.104	-0.971	-0.764	1.465	0.006	0.204	-1.096	-0.172	1.172	-0.277	-0.063	-0.624	0.019	0.74	-0.26	-0.238	-0.095	0.117	0.289	-0.298	-0.039	647.111	31.913	-3.376	1.711	-5.466	-2.107	3.587	0.399	-0.835	0.038	0.049	0.52	-0.593	-0.325	1.771	0.023	-0.315	-1.566	-0.076	2.173	-0.426	-0.059	-0.88	-0.337	1.118	0.374	-0.221	-0.586	0.084	0.214	-0.045	0.049	322.72	18.44	-2.115	0.868	-3.876	0.068	2.654	-0.597	-0.955	0.611	-0.049	0.803	-0.798	-0.52	1.315	0.043	0.014	-1.124	-0.045	1.193	-0.29	-0.04	-0.673	0.029	0.715	-0.189	-0.181	-0.131	0.085	0.224	-0.212	-0.007	787.17	37.094	-3.976	2.166	-5.676	-3.154	3.465	0.857	-0.32	-0.223	-0.212	0.281	-0.31	-0.17	1.785	0.042	-0.579	-1.777	0.043	2.49	-0.466	-0.083	-0.942	-0.458	1.176	0.679	-0.178	-0.768	0.055	0.159	0.109	0.047	1853.972	96.979	-11.162	5.758	-20.151	-1.712	15.047	-1.231	-5.751	1.491	0.571	4.607	-3.763	-3.011	6.961	-0.059	0.89	-4.466	-1.941	6.764	-1.085	-0.314	-2.444	-1.194	3.846	0.466	-1.155	-1.739	0.522	1.361	-0.951	0.122
ZINC03815283	630	30.998	-2.998	0.515	-5.232	-1.601	3.687	-0.039	-0.757	0	-0.301	0.391	-0.576	-0.181	1.546	-0.21	-0.215	-1.428	-0.033	2.193	-0.534	-0.119	-1.034	0.054	1.172	0.265	-0.151	-0.456	-0.179	0.253	0.09	-0.078	415.828	11.186	-2.98	1.75	-4.924	2.928	3.542	-1.339	-2.349	1.805	-0.055	2.116	-1.903	-0.683	1.011	-0.022	0.47	-0.997	-1.078	1.434	-0.361	-0.131	-0.497	0.336	0.853	-0.193	-0.197	-0.313	0.28	0.597	-0.619	-0.266	293.858	16.98	-2.168	0.279	-4.069	0.85	3.169	-1.094	-1.412	0.598	0.087	1.151	-1.086	-0.579	1.41	-0.113	0.27	-1.027	-0.229	1.21	-0.284	-0.076	-0.656	0.21	0.836	-0.192	-0.243	-0.137	0.04	0.346	-0.313	-0.071	647.111	31.436	-3.493	0.811	-5.535	-1.423	4.09	-0.086	-1.137	0.05	-0.082	0.591	-0.82	-0.267	1.683	-0.21	-0.091	-1.396	-0.237	2.288	-0.537	-0.115	-0.996	-0.008	1.234	0.276	-0.213	-0.479	-0.105	0.306	-0.003	-0.076	322.72	16.725	-2.037	0.541	-4.069	0.435	2.833	-0.827	-1.192	0.576	-0.041	0.891	-0.938	-0.34	1.233	-0.12	0.126	-1.045	-0.139	1.228	-0.317	-0.069	-0.706	0.237	0.806	-0.145	-0.185	-0.16	-0.017	0.296	-0.232	-0.057	787.17	37.22	-4.121	1.033	-5.765	-2.394	4.139	0.286	-0.665	-0.163	-0.437	0.365	-0.541	-0.168	1.66	-0.235	-0.263	-1.591	-0.149	2.637	-0.633	-0.14	-1.087	-0.064	1.276	0.51	-0.147	-0.617	-0.193	0.251	0.183	-0.117	1853.972	92.253	-11.9	3.359	-19.981	0.91	16.274	-2.528	-6.62	1.325	0.651	4.78	-4.519	-2.436	6.549	-0.542	1.118	-4.044	-2.364	7.118	-1.254	-0.448	-2.855	-0.129	4.3	0.454	-1.184	-1.398	0.138	1.719	-0.9	-0.238
ZINC03815250	496	26.229	-2.285	1.596	-4.743	-2.179	3.829	0.106	-0.976	0.189	0.281	0.465	-0.643	-0.091	0.775	0.476	-0.141	-1.134	-0.166	1.328	-0.115	0.087	-0.71	-0.28	0.814	-0.124	-0.047	0.015	0.279	-0.069	-0.116	-0.052	415.379	22.547	-3.995	1.798	-4.73	2.187	3.215	-0.173	-2.843	1.4	-0.477	2.358	-1.16	-0.838	0.736	0.102	0.553	-0.871	-0.506	1.131	-0.042	-0.139	-0.302	-0.184	0.583	-0.137	0.072	-0.213	0.552	0.158	-0.309	-0.298	257.656	18.649	-2.244	0.411	-3.656	0.666	3.091	-0.804	-1.448	0.642	0.102	1.118	-0.969	-0.648	0.992	0.183	0.235	-0.889	-0.175	0.9	-0.173	-0.071	-0.476	0.055	0.557	-0.269	-0.101	0.019	0.282	0.143	-0.281	-0.097	528.69	27.859	-2.53	1.82	-5.246	-2.035	4.104	0.218	-1.193	0.314	0.195	0.712	-0.652	-0.261	0.842	0.477	0.003	-1.07	-0.287	1.367	-0.083	0.13	-0.659	-0.323	0.779	-0.097	-0.045	0.025	0.308	-0.065	-0.137	-0.091	267.457	18.321	-2.215	0.539	-3.44	0.321	2.864	-0.603	-1.341	0.523	0.203	0.886	-0.947	-0.39	0.821	0.24	0.077	-0.925	-0.111	0.924	-0.199	-0.086	-0.517	0.044	0.592	-0.267	-0.078	0.001	0.275	0.123	-0.258	-0.066	627.441	30.901	-2.619	2.555	-5.864	-3.099	4.403	0.482	-0.858	0.094	0.298	0.475	-0.6	-0.021	0.787	0.589	-0.174	-1.179	-0.321	1.549	-0.034	0.167	-0.728	-0.493	0.87	-0.026	-0.032	0.028	0.321	-0.15	-0.117	-0.058	2135.307	119.129	-15.652	10.087	-20.852	-5.842	17.342	3.292	-8.377	5.186	-1.915	5.431	-0.127	-4.401	4.51	1.793	3.062	-3.28	-1.423	4.664	-0.473	2.107	-1.938	-0.938	2.463	-0.192	-0.375	0.948	1.365	-0.462	0.051	-1.62
ZINC00116937	630	31.721	-2.818	0.525	-5.702	-1.564	3.187	0.502	-0.284	-0.076	-0.02	0.395	-0.176	-0.366	1.681	-0.051	-0.306	-1.645	0.22	2.07	-0.429	-0.081	-0.922	-0.287	1.071	0.287	-0.184	-0.443	-0.017	0.172	0.094	0.071	329.439	19.52	-3.125	-0.588	-4.635	2.871	3.327	-1.765	-1.462	0.916	0.348	1.798	-1.169	-1.41	1.667	-0.158	0.68	-0.995	-0.55	1.443	-0.329	-0.032	-0.554	-0.071	0.945	-0.48	-0.243	-0.069	0.114	0.36	-0.356	-0.018	289.233	18.634	-2.241	-0.003	-4.083	1.088	2.962	-1.053	-1.056	0.57	0.215	1.103	-0.864	-0.836	1.475	-0.095	0.281	-1.09	-0.132	1.218	-0.295	-0.046	-0.638	0.027	0.786	-0.323	-0.228	-0.026	0.072	0.276	-0.271	-0.004	650.452	32.426	-3.442	0.761	-6.061	-1.298	3.527	0.477	-0.662	-0.078	0.212	0.575	-0.363	-0.486	1.805	-0.086	-0.134	-1.62	0.037	2.166	-0.449	-0.075	-0.875	-0.368	1.129	0.284	-0.233	-0.48	0.035	0.22	0.003	0.088	310.798	18.871	-2.066	0.079	-4.117	0.626	2.596	-0.736	-0.733	0.44	0.149	0.804	-0.644	-0.628	1.355	-0.096	0.13	-1.123	0.025	1.221	-0.301	-0.034	-0.689	0.038	0.77	-0.265	-0.184	-0.038	0.026	0.216	-0.169	0.024	791.184	37.866	-3.944	1.117	-6.44	-2.305	3.518	1.027	-0.159	-0.3	-0.07	0.367	-0.043	-0.37	1.83	-0.04	-0.373	-1.856	0.17	2.462	-0.488	-0.106	-0.934	-0.504	1.17	0.588	-0.215	-0.644	0.008	0.173	0.163	0.083	1934.504	96.724	-13.577	2.487	-21.724	2.556	13.911	-1.33	-5.173	0.768	1.635	4.842	-2.958	-3.459	6.812	-0.736	1.513	-4.363	-1.686	6.981	-1.299	-0.204	-2.461	-1.256	3.985	0.068	-1.024	-1.416	0.279	1.318	-0.784	0.41
ZINC03815334	496	23.236	-1.777	1.113	-5.02	-2.241	4.295	-0.261	-1.156	0.351	0.38	0.298	-1.474	-0.022	1.355	0.496	-0.324	-1.169	0.233	1.488	-0.623	0.443	-0.899	-0.191	1.252	-0.622	-0.051	-0.038	-0.093	0.371	-0.254	-0.31	405.809	18.254	-3.051	1.555	-4.481	1.592	3.812	-0.779	-2.245	0.831	-0.903	2.044	-1.768	-0.938	1.159	0.046	0.609	-0.823	-0.48	1.813	-0.41	0.156	-0.522	-0.186	1.051	-0.55	-0.024	-0.245	0.088	0.409	-0.652	-0.453	268.549	16.096	-2.064	-0.347	-3.88	0.37	3.313	-1.158	-1.331	0.566	0.115	1.146	-1.485	-0.662	1.283	0.082	0.213	-0.938	0.054	1.327	-0.469	0.045	-0.598	0.135	0.821	-0.597	-0.151	0.037	0.022	0.337	-0.432	-0.263	518.513	24.404	-1.867	1.424	-5.49	-2.173	4.48	-0.391	-1.222	0.455	0.292	0.498	-1.611	-0.197	1.527	0.486	-0.207	-1.161	0.051	1.58	-0.603	0.489	-0.883	-0.25	1.329	-0.647	-0.071	-0.045	-0.098	0.457	-0.297	-0.368	284.81	16.161	-2.007	-0.096	-3.716	0.108	3.139	-0.867	-1.293	0.491	0.163	0.922	-1.433	-0.422	1.093	0.188	0.058	-0.932	0.137	1.291	-0.508	0.069	-0.613	0.14	0.794	-0.574	-0.113	0.028	0.029	0.264	-0.395	-0.236	607.347	26.318	-1.838	2.051	-5.871	-3.243	4.944	-0.049	-1.142	0.325	0.403	0.142	-1.589	0.113	1.505	0.632	-0.441	-1.27	0.182	1.59	-0.665	0.63	-0.979	-0.384	1.465	-0.633	-0.018	-0.083	-0.126	0.452	-0.252	-0.368	2084.878	92.888	-8.088	8.536	-25.321	-4.708	17.362	-2.599	-5.237	1.893	-1.712	3.624	-5.253	-3.632	7.463	0.709	1.189	-2.681	-1.927	7.085	-2.273	1.9	-2.767	-1.359	6.052	-3.024	-0.503	-0.755	-0.096	2.663	-1.633	-2.064
ZINC03815199	561	27.014	-2.705	1.356	-5.375	-1.859	3.829	0.142	-0.806	0.078	-0.049	0.791	-0.181	-0.25	0.951	0.331	-0.226	-1.227	0.273	1.597	-0.254	-0.002	-0.896	-0.127	0.973	0.012	-0.09	-0.114	0.161	0.061	0.02	0.102	452.932	22.272	-4.087	1.874	-5.101	2.436	3.354	-0.483	-2.919	1.375	-0.474	2.426	-1.107	-0.913	0.83	0.084	0.471	-0.928	-0.332	1.212	-0.075	-0.177	-0.358	-0.136	0.69	-0.271	0.046	-0.093	0.424	0.31	-0.473	-0.198	286.136	18.291	-2.27	0.572	-3.953	0.84	3.184	-0.894	-1.393	0.652	0.052	1.228	-0.846	-0.682	1.108	0.116	0.208	-0.964	-0.013	1.003	-0.217	-0.099	-0.543	0.094	0.645	-0.296	-0.162	0.061	0.196	0.216	-0.316	-0.029	599.455	28.529	-3.244	1.617	-5.914	-1.681	4.171	0.211	-1.143	0.163	-0.018	1.043	-0.184	-0.396	0.991	0.339	-0.047	-1.197	0.153	1.633	-0.26	0.024	-0.848	-0.192	0.993	-0.015	-0.113	-0.073	0.192	0.074	-0.046	0.083	296.238	17.986	-2.136	0.723	-3.785	0.447	2.885	-0.645	-1.22	0.525	0.064	0.995	-0.779	-0.436	0.952	0.15	0.035	-0.978	0.06	1.036	-0.225	-0.091	-0.603	0.107	0.663	-0.237	-0.112	0.002	0.194	0.189	-0.235	-0.002	705.115	31.76	-3.564	2.116	-6.373	-2.708	4.346	0.517	-0.738	-0.133	-0.103	0.916	0.037	-0.257	0.91	0.415	-0.23	-1.289	0.249	1.854	-0.251	0.039	-0.936	-0.3	1.08	0.164	-0.087	-0.168	0.201	0.023	0.078	0.145	2305.099	113.203	-18.385	8.597	-22.529	-3.703	18.131	1.737	-8.484	3.407	-0.277	6.259	1.034	-3.538	3.239	2.092	2.443	-3.784	0.248	4.957	-1.262	1.212	-2.352	-1.095	3.816	-1.118	-0.613	1.274	0.308	0.167	-0.404	-0.544
ZINC03815088	1275	53.226	-14.112	10.521	-10.749	-2.945	2.364	1.246	1.766	-0.73	0.586	-4.096	0.474	3.688	-0.39	-0.894	-1.162	-2.295	1.723	2.082	-1.542	0.308	-0.3	-0.871	0.972	0.253	0.733	-0.174	-1.285	-0.222	1.244	0.272	375.38	26.546	-5.74	0.625	-3.961	2.354	2.579	-2.118	-1.79	2.311	0.142	-0.654	-1.092	0.565	0.547	-0.555	-0.221	-0.467	0.826	0.017	-0.657	0.247	0.49	-0.386	0.061	-0.146	0.374	0.152	-0.29	-0.157	0.343	0.055	384.419	24.899	-4.505	1.471	-4.355	1.064	1.654	-1.126	-0.427	0.97	0.373	-1.458	-0.587	1.383	0.298	-0.781	-0.476	-0.516	0.955	0.207	-0.651	0.26	0.138	-0.314	0.091	0.077	0.411	-0.104	-0.356	-0.099	0.441	0.086	1301.416	54.98	-14.854	10.622	-10.767	-2.897	2.787	1.029	1.311	-0.399	0.859	-4.29	0.358	3.436	-0.265	-0.834	-1.097	-2.353	1.686	2.015	-1.494	0.31	-0.09	-1.029	1.036	0.206	0.698	-0.012	-1.244	-0.318	1.23	0.262	431.553	26.494	-4.763	2.147	-4.698	0.278	1.408	-0.568	0.031	0.499	0.401	-1.894	-0.283	1.784	0.14	-0.844	-0.618	-0.638	1.084	0.377	-0.731	0.297	-0.068	-0.296	0.174	0.153	0.438	-0.196	-0.458	-0.07	0.552	0.086	1758.824	66.687	-20.485	15.488	-13.845	-4.289	2.986	1.635	2.616	-1.154	0.862	-5.171	0.57	4.511	-0.67	-0.773	-1.308	-3.218	1.918	2.887	-1.913	0.301	-0.123	-1.324	1.354	0.229	0.885	0.005	-1.656	-0.395	1.52	0.366	3577.9	183.427	-70.128	30.686	-13.352	-17.255	14.236	5.095	-11.012	8.05	4.55	-14.956	3.885	4.063	-4.084	3.006	-1.395	-8.788	6.265	2.222	-4.046	3.455	0.769	-5.021	5.801	-1.698	0.492	3.656	-4.308	-1.359	4.647	-1.741
ZINC03815348	703	34.012	-3.009	1.468	-5.266	-2.424	3.535	0.247	-0.571	0.014	-0.411	0.783	-0.598	-0.309	1.803	0.326	-0.453	-1.577	0.125	2.204	-0.292	0.06	-0.941	-0.319	1	0.193	-0.073	-0.507	-0.087	0.254	0	0.007	453.437	22.756	-4.818	1.747	-4.73	2.097	3.645	-1.029	-2.948	1.338	-0.172	2.467	-1.528	-1.047	1.249	0.175	0.204	-0.947	-0.769	1.523	-0.012	-0.293	-0.507	-0.263	0.852	-0.159	-0.085	-0.273	0.286	0.602	-0.57	-0.121	319.265	19.397	-2.371	0.47	-3.95	0.554	3.233	-0.996	-1.452	0.63	0.096	1.308	-1.062	-0.735	1.451	0.11	0.147	-1.082	-0.193	1.196	-0.202	-0.072	-0.639	-0.021	0.75	-0.28	-0.181	-0.075	0.082	0.359	-0.341	-0.034	724.9	35.263	-3.511	1.813	-5.663	-2.39	3.972	0.212	-0.999	0.052	-0.203	0.992	-0.81	-0.427	1.958	0.325	-0.358	-1.541	-0.087	2.282	-0.276	0.05	-0.911	-0.415	1.05	0.2	-0.107	-0.544	-0.027	0.315	-0.11	0.014	348.952	19.639	-2.348	0.706	-3.9	0.148	2.832	-0.653	-1.235	0.519	-0.018	1.06	-0.898	-0.476	1.293	0.147	-0.008	-1.089	-0.056	1.228	-0.218	-0.04	-0.676	0.007	0.731	-0.211	-0.125	-0.106	0.05	0.297	-0.245	-0.017	889.277	41.604	-4.015	2.453	-5.955	-3.572	4.012	0.621	-0.371	-0.154	-0.676	0.867	-0.569	-0.364	2.085	0.443	-0.609	-1.789	0.05	2.65	-0.267	0.109	-0.979	-0.562	1.077	0.423	-0.039	-0.715	-0.1	0.269	0.043	-0.005	2145.92	112.353	-13.277	7.483	-21.11	-4.683	16.681	-2.128	-6.985	1.938	0.066	6.122	-4.327	-3.367	7.774	1	-0.254	-4.252	-2.22	6.776	-0.097	-0.325	-2.785	-1.626	3.456	0.204	-0.531	-1.725	0.285	1.868	-1.482	0.146
ZINC03815258	595	29.414	-3.006	0.974	-5.338	-1.974	3.701	0.639	-0.969	0.166	-0.15	0.575	-0.527	-0.067	0.76	0.359	-0.429	-1.411	0.1	1.306	-0.357	-0.085	-0.66	-0.396	0.859	-0.174	-0.112	-0.097	0.14	-0.11	-0.006	-0.09	450.59	18.126	-4.454	-0.68	-4.871	2.614	3.241	-0.473	-2.387	1.096	-0.558	2.121	-0.918	-0.7	1.221	0.635	0.476	-0.827	-0.432	1.126	-0.059	-0.12	-0.216	-0.303	0.355	-0.346	-0.068	-0.35	0.555	-0.032	-0.363	-0.31	293.586	18.264	-2.376	0.112	-3.923	0.858	3.062	-0.789	-1.343	0.657	0.036	1.084	-0.921	-0.553	1.016	0.249	0.148	-0.937	-0.071	0.898	-0.214	-0.139	-0.435	-0.02	0.54	-0.324	-0.136	-0.004	0.274	0.072	-0.269	-0.095	626.745	30.545	-3.398	1.062	-5.808	-1.832	3.974	0.661	-1.187	0.229	-0.198	0.791	-0.557	-0.226	0.841	0.366	-0.284	-1.319	-0.043	1.359	-0.321	-0.054	-0.597	-0.448	0.835	-0.18	-0.116	-0.074	0.181	-0.124	-0.029	-0.137	309.887	18.283	-2.311	0.128	-3.774	0.443	2.782	-0.504	-1.2	0.566	0.049	0.858	-0.841	-0.285	0.871	0.312	-0.042	-0.996	0.033	0.911	-0.24	-0.157	-0.482	-0.046	0.564	-0.31	-0.131	-0.038	0.245	0.049	-0.231	-0.07	754.253	35.635	-4.056	1.704	-6.398	-2.889	4.237	1.159	-0.962	0.02	-0.234	0.628	-0.467	-0.036	0.751	0.409	-0.521	-1.565	0.008	1.528	-0.396	-0.046	-0.65	-0.632	0.928	-0.095	-0.124	-0.12	0.144	-0.193	0.023	-0.118	2307.599	114.277	-17.845	4.434	-20.722	-4.767	16.501	3.313	-7.573	3.106	-1.815	5.1	-0.461	-3.683	3.704	1.585	2.18	-3.16	-0.985	4.738	-1.282	1.228	-1.172	-1.645	2.941	-1.103	-0.553	0.674	1.169	-0.855	0.149	-1.555
ZINC03815102	1225	50.123	-12.087	7.927	-9.456	-2.251	1.693	1.738	0.898	-0.183	-0.49	-3.406	0.229	3.401	0.303	-0.779	-1.41	-1.236	1.929	1.615	-1.36	0.078	-0.303	-0.372	0.032	0.657	0.227	0.016	-1.414	0.085	1.293	0.215	490.639	23.696	-7.786	1.847	-4.609	4.139	1.116	-1.667	-1.928	1.616	-0.78	0.626	-1	0.864	0.755	-0.897	-0.01	-0.327	0.997	-0.233	-0.283	-0.116	0.301	-0.289	-0.425	-0.206	0.356	0.137	-0.153	0.15	0.061	0.572	398.338	23.438	-4.741	0.925	-4.125	1.909	1.017	-0.993	-0.589	0.963	-0.077	-0.9	-0.607	1.501	0.443	-0.774	-0.487	-0.27	0.999	-0.038	-0.585	0.161	0.087	-0.177	-0.229	0.124	0.29	-0.045	-0.414	-0.024	0.496	0.184	1227.421	50.882	-12.526	7.753	-9.702	-1.916	1.92	1.535	0.491	0.074	-0.392	-3.288	0.066	3.324	0.439	-0.849	-1.354	-1.251	1.881	1.53	-1.338	0.078	-0.2	-0.382	-0.029	0.578	0.29	0.046	-1.311	-0.018	1.232	0.313	469.783	25.648	-5.17	1.822	-4.487	1.212	0.732	-0.299	-0.353	0.674	-0.105	-1.335	-0.357	1.796	0.318	-0.729	-0.623	-0.392	1.154	0.115	-0.624	0.144	-0.082	-0.212	-0.125	0.248	0.229	-0.112	-0.55	0.059	0.633	0.128	1621.296	61.518	-16.59	11.567	-12.124	-3.565	2.128	2.372	1.424	-0.377	-0.691	-4.261	0.214	4.076	0.427	-0.783	-1.669	-1.69	2.161	2.407	-1.727	0.026	-0.216	-0.527	0.008	0.81	0.291	0.128	-1.729	0.034	1.474	0.329	2937.862	126.086	-38.963	16.657	-23.276	-3.811	11.692	1.219	-5.281	4.225	-2.742	-3.603	0.299	4.679	1.306	-2.328	-2.333	-1.739	3.677	0.85	-1.61	0.354	0.154	-0.421	-1.077	-0.24	2.054	0.166	-2.145	-0.274	1.697	1.999
ZINC03815043	1485	54.49	-13.688	9.474	-10.653	-2.618	2.396	2.557	2.149	-0.25	-0.256	-4.184	0.595	3.865	0.206	0.076	-1.795	-2.158	1.698	2.181	-2.252	0.397	-1.062	-0.215	0.556	0.456	0.418	-0.372	-1.476	0.269	1.276	0.644	493.876	26.788	-7.688	0.087	-4.928	3.301	1.803	-1.001	-1.154	2.001	-0.044	-0.135	-1.671	1.41	1.062	-0.909	-0.317	-0.409	1.33	-0.012	-0.571	-0.018	0.136	0.077	-0.201	0.249	0.229	0.106	-0.563	-0.257	-0.092	0.422	445.058	24.473	-5.367	0.891	-4.302	1.135	1.723	-0.519	-0.222	0.981	0.152	-1.326	-0.746	1.81	0.484	-0.643	-0.637	-0.526	1.18	0.244	-0.836	0.254	-0.166	-0.047	-0.032	0.173	0.227	-0.2	-0.483	-0.065	0.436	0.213	1454.506	55.577	-14.05	9.072	-10.519	-2.299	2.613	2.26	1.823	-0.069	0.102	-4.214	0.283	3.835	0.394	-0.007	-1.683	-2.132	1.698	2.115	-2.266	0.366	-0.913	-0.24	0.482	0.446	0.409	-0.303	-1.358	0.114	1.141	0.685	548.054	27.132	-5.918	2.153	-4.869	0.422	1.557	0.286	0.106	0.669	0	-1.714	-0.4	2.143	0.295	-0.563	-0.817	-0.673	1.257	0.432	-0.884	0.293	-0.36	-0.051	0.113	0.268	0.232	-0.304	-0.627	0.018	0.598	0.217	1970.168	67.369	-18.969	13.567	-13.489	-3.575	2.709	3.291	3.096	-0.398	-0.282	-5.176	0.776	4.591	0.227	0.47	-2.075	-2.899	1.757	3.02	-2.959	0.436	-1.171	-0.373	0.64	0.535	0.545	-0.317	-1.777	0.263	1.464	0.923	2837.277	126.886	-28.877	13.709	-21.561	-1.688	7.899	1.305	1.297	1.386	2.058	-7.935	-2.563	7.257	3.091	-0.849	-2.479	-3.92	3.499	3.684	-4.649	0.096	-1	-0.31	0.354	1.014	0.66	-0.007	-2.037	-0.488	0.956	1.573
ZINC03815032	630	29.735	-3.29	1.623	-5.007	-1.685	2.881	0.317	-0.684	0.121	-0.101	0.686	-0.48	-0.229	1.605	0.048	-0.277	-1.487	-0.016	2.105	-0.381	-0.13	-0.867	-0.273	0.971	0.331	-0.113	-0.526	0.006	0.194	0.038	0.06	612.298	16.659	-1.029	0.189	-1.891	-0.656	4.475	-1.572	-2.291	1.838	-1.064	3.027	-2.443	0.143	0.017	0.874	-0.117	-0.585	-1.088	1.491	-0.003	-0.611	0.197	-0.865	1.158	-0.418	0.287	-0.874	0.505	0.564	-0.665	0.247	318.889	18.165	-2.465	0.822	-3.868	0.736	2.994	-0.901	-1.393	0.8	-0.004	1.284	-1.056	-0.666	1.34	0.031	0.218	-1.051	-0.239	1.213	-0.262	-0.096	-0.577	-0.024	0.713	-0.245	-0.178	-0.147	0.154	0.294	-0.32	-0.014	655.255	30.657	-3.792	1.985	-5.302	-1.59	3.294	0.323	-1.104	0.171	0.083	0.877	-0.688	-0.307	1.711	0.039	-0.155	-1.453	-0.216	2.206	-0.401	-0.126	-0.813	-0.369	1.028	0.342	-0.16	-0.585	0.07	0.24	-0.062	0.073	357.158	18.111	-2.429	1.074	-3.746	0.228	2.605	-0.582	-1.208	0.747	-0.12	1.066	-0.939	-0.378	1.14	0.105	0.04	-1.055	-0.147	1.234	-0.261	-0.095	-0.595	-0.034	0.694	-0.177	-0.094	-0.208	0.135	0.235	-0.235	0.02	780.987	35.492	-4.355	2.403	-5.466	-2.497	3.082	0.745	-0.599	-0.098	-0.129	0.708	-0.398	-0.213	1.762	0.066	-0.338	-1.649	-0.129	2.52	-0.425	-0.158	-0.875	-0.481	1.063	0.625	-0.121	-0.737	0.012	0.2	0.102	0.064	1940.023	92.872	-12.477	7.098	-19.44	-0.562	14.173	-1.312	-6.537	2.005	0.351	5.603	-3.909	-2.602	6.417	-0.08	0.986	-4.063	-2.284	6.891	-0.996	-0.485	-2.178	-1.447	3.579	0.526	-0.907	-1.885	0.515	1.379	-1.04	0.291
ZINC03815050	1225	48.449	-11.921	11.135	-9.671	-1.289	2.633	1.282	1.033	-0.22	-0.31	-3.51	0.744	3.411	-0.238	-0.472	-1.351	-1.815	1.804	1.54	-1.644	0.317	-0.464	-0.338	0.502	0.534	0.423	-0.031	-1.383	-0.318	1.191	0.304	490.639	20.312	-6.014	0.662	-4.432	2.822	1.783	-1.673	-0.765	1.719	-0.604	0.08	-0.898	1.002	0.141	-1.001	-0.391	-0.7	0.833	-0.402	-0.431	0.1	0.488	-0.017	-0.176	0.024	0.227	0.118	-0.702	-0.004	-0.091	0.365	398.338	22.322	-4.255	1.24	-3.962	1.373	1.746	-0.91	-0.317	0.927	0.018	-1.05	-0.499	1.504	0.138	-0.659	-0.49	-0.512	0.956	-0.007	-0.655	0.309	0.063	-0.077	-0.032	0.181	0.292	-0.031	-0.546	-0.114	0.398	0.104	1227.421	48.669	-12.074	10.546	-9.764	-1.165	3.006	0.973	0.867	-0.024	-0.199	-3.379	0.548	3.329	-0.186	-0.486	-1.295	-1.804	1.769	1.462	-1.612	0.356	-0.338	-0.395	0.481	0.487	0.454	0.037	-1.33	-0.391	1.082	0.385	469.783	24.702	-4.822	2.567	-4.322	0.842	1.376	-0.226	-0.157	0.65	-0.012	-1.45	-0.211	1.835	0.017	-0.642	-0.61	-0.684	1.077	0.151	-0.721	0.31	-0.108	-0.084	0.07	0.296	0.247	-0.123	-0.635	-0.083	0.546	0.057	1621.296	59.288	-16.402	16.192	-12.534	-1.861	3.143	1.544	1.626	-0.437	-0.402	-4.31	0.924	4.08	-0.317	-0.339	-1.654	-2.403	1.992	2.233	-2.066	0.305	-0.423	-0.539	0.619	0.601	0.553	0.078	-1.693	-0.484	1.36	0.518	2937.862	111.88	-31.817	12.834	-20.757	-5.834	15.554	-1.536	-0.514	3.076	-1.651	-3.999	1.077	5.2	-1.257	0.009	-2.505	-2.6	3.92	0.395	-2.035	1.426	0.017	-0.834	0.703	0.043	2.104	0.343	-2.781	-0.857	0.664	1.882
ZINC03815273	741	23.698	-3.925	0.137	-6.637	-1.562	3.291	0.669	-0.664	-0.557	-0.556	-0.031	-0.003	0.001	1.534	-0.16	-0.327	-2.179	0.495	2.702	-0.611	-0.327	-0.789	-0.148	1.288	0.166	-0.167	-0.616	-0.246	0.212	0.278	0.031	360.33	17.101	-3.49	-0.6	-4.898	1.722	2.978	-1.681	-1.516	0.578	0.108	1.575	-1.339	-1.258	2.029	-0.058	0.514	-1.219	-0.457	1.758	-0.392	-0.159	-0.482	0	1.046	-0.571	-0.341	-0.09	0.022	0.383	-0.308	-0.094	327.209	13.891	-2.878	-0.288	-4.371	0.581	2.78	-0.857	-1.151	0.408	-0.016	0.986	-0.972	-0.691	1.597	-0.158	0.177	-1.301	-0.007	1.49	-0.293	-0.154	-0.541	0.098	0.904	-0.356	-0.29	-0.106	-0.019	0.282	-0.225	-0.039	758.72	25.41	-4.562	0.286	-6.866	-1.508	3.534	0.623	-1.077	-0.556	-0.272	0.128	-0.196	-0.113	1.704	-0.196	-0.188	-2.169	0.326	2.797	-0.652	-0.326	-0.759	-0.237	1.358	0.15	-0.235	-0.63	-0.176	0.245	0.197	0.048	356.36	13.565	-2.607	-0.087	-4.537	0.262	2.493	-0.489	-0.858	0.224	-0.15	0.634	-0.714	-0.446	1.445	-0.149	0.047	-1.358	0.153	1.515	-0.3	-0.157	-0.589	0.114	0.9	-0.28	-0.252	-0.139	-0.08	0.23	-0.115	-0.005	932.857	29.177	-5.47	0.672	-7.406	-2.277	3.68	1.084	-0.704	-0.901	-0.673	-0.155	0.26	0.077	1.581	-0.167	-0.352	-2.559	0.516	3.259	-0.79	-0.407	-0.767	-0.321	1.425	0.394	-0.159	-0.84	-0.281	0.213	0.423	0.03	2160.227	82.73	-14.524	0.223	-23.466	-1.324	11.601	-0.285	-5.871	-0.58	0.434	3.076	-2.908	-2.103	7.458	-0.92	0.821	-5.849	-0.649	8.618	-1.778	-0.895	-2.394	-0.902	4.583	-0.3	-1.181	-1.608	-0.165	1.183	-0.187	0.158
ZINC03815119	1485	53.661	-13.001	9.585	-10.63	-0.483	1.678	1.714	2.161	-0.816	0.183	-4.83	0.235	3.464	0.043	-0.675	-1.328	-1.972	1.981	2.551	-1.602	-0.283	-0.743	-0.233	0.54	0.449	0.282	-0.358	-1.388	0.251	1.117	0.388	493.876	22.659	-6.457	1.197	-4.007	5.124	0.776	-1.97	-1.317	1.564	0.158	-0.246	-1.243	0.973	0.817	-0.932	-0.344	-0.639	1.303	-0.163	-0.377	-0.214	0.289	-0.213	-0.192	-0.079	0.235	0.181	-0.323	0.163	0.023	0.322	445.058	23.956	-4.962	1.483	-4.238	2.396	1.287	-1.08	-0.146	0.923	0.333	-1.476	-0.695	1.522	0.495	-0.786	-0.626	-0.504	1.089	0.183	-0.634	0.044	0.025	-0.161	-0.005	0.157	0.277	-0.119	-0.469	0.034	0.425	0.101	1454.506	54.304	-12.986	9.187	-10.49	-0.293	1.867	1.404	1.942	-0.679	0.568	-4.731	-0.037	3.367	0.248	-0.723	-1.255	-1.978	1.941	2.451	-1.589	-0.279	-0.566	-0.229	0.472	0.409	0.276	-0.293	-1.277	0.145	1.029	0.432	548.054	26.418	-5.682	2.624	-4.853	1.813	1.04	-0.305	0.079	0.599	0.172	-1.917	-0.353	1.852	0.31	-0.758	-0.747	-0.623	1.197	0.415	-0.658	0.005	-0.185	-0.212	0.122	0.261	0.243	-0.21	-0.605	0.13	0.564	0.092	1970.168	66.274	-17.718	13.445	-13.402	-1.091	1.925	2.269	3.111	-1.306	0.27	-6.021	0.193	4.151	-0.034	-0.579	-1.377	-2.685	2.219	3.593	-2.094	-0.41	-0.797	-0.276	0.601	0.479	0.35	-0.34	-1.644	0.228	1.253	0.599	2837.277	114.75	-24.008	14.732	-20.085	0.389	6.306	-0.492	2.833	-0.604	3.802	-7.739	-2.604	5.288	2.47	-2.273	-2.019	-3.874	3.722	4.126	-2.937	-0.879	0.254	-0.141	0.681	0.29	0.505	-0.341	-1.804	-0.162	1.392	1.039
ZINC03815189	630	33.737	-2.058	-0.415	-5.023	-2.004	4.378	0.615	-1.192	0.196	0.245	0.056	-0.273	-0.017	1.059	0.518	-0.634	-1.328	-0.211	1.676	-0.445	0.028	-0.897	-0.366	1.125	-0.052	-0.018	-0.35	0.024	0.222	-0.118	-0.147	448.202	21.115	-4.554	-1.278	-4.762	2.45	4.553	-0.601	-2.78	0.895	-0.739	1.821	-1.113	-0.709	1.192	0.716	0.126	-1.031	-0.416	1.208	-0.117	-0.294	-0.426	-0.289	0.686	-0.259	-0.294	-0.318	0.506	0.229	-0.435	-0.275	305.934	21.021	-2.208	-0.482	-3.864	0.881	3.603	-0.727	-1.649	0.445	0.144	0.98	-0.904	-0.554	1.077	0.266	0.04	-0.946	-0.23	1.024	-0.264	-0.147	-0.608	0.011	0.716	-0.283	-0.234	-0.058	0.222	0.27	-0.323	-0.143	654.868	35.471	-2.729	-0.151	-5.39	-1.778	4.802	0.616	-1.607	0.3	0.229	0.191	-0.336	-0.193	1.127	0.583	-0.568	-1.29	-0.348	1.756	-0.379	0.001	-0.879	-0.407	1.116	-0.028	-0.054	-0.363	0.08	0.241	-0.172	-0.177	328.941	20.9	-2.001	-0.529	-3.696	0.349	3.233	-0.441	-1.371	0.372	0.14	0.735	-0.792	-0.288	0.982	0.284	-0.101	-0.971	-0.139	1.022	-0.312	-0.12	-0.641	-0.022	0.746	-0.265	-0.194	-0.094	0.187	0.222	-0.266	-0.115	790.415	39.915	-2.764	0.104	-5.957	-2.873	4.984	0.999	-1.204	0.168	0.233	-0.118	-0.156	-0.033	1.168	0.651	-0.827	-1.495	-0.348	2.009	-0.473	0.088	-0.937	-0.589	1.263	0.076	0.031	-0.487	-0.005	0.248	-0.119	-0.181	2155.057	124.459	-17.544	5.017	-20.271	-0.032	21.225	0.405	-9.857	3.021	-1.855	3.8	-1.027	-3.533	4.612	2.293	-0.839	-2.614	-2.905	6.391	-0.428	-0.604	-2.278	-0.931	3.005	-0.166	-0.37	-1.026	1.125	0.665	-1.166	-0.945
ZINC03815278	630	30.022	-2.798	0.581	-5.558	-1.275	2.911	0.537	-0.759	0.166	-0.172	0.846	-0.278	-0.214	1.659	0.153	-0.33	-1.507	-0.018	2.169	-0.444	-0.152	-0.903	-0.328	0.924	0.316	-0.223	-0.441	0.011	0.258	0.032	0.061	612.298	16.74	-8.688	-1.337	-6.803	2.119	1.604	-0.782	-3.574	1.6	-0.588	3.346	-0.834	0.131	1.83	0.843	0.557	-1.028	-0.946	1.671	-0.295	-0.554	-0.74	-0.863	0.424	-0.42	-0.124	-0.577	0.674	0.634	-0.325	-0.048	318.889	18.224	-2.741	0.268	-4.11	1.04	2.853	-0.814	-1.452	0.75	-0.013	1.388	-0.933	-0.614	1.439	0.076	0.215	-1.076	-0.219	1.254	-0.272	-0.111	-0.624	-0.058	0.696	-0.274	-0.211	-0.112	0.158	0.318	-0.321	-0.038	655.255	30.895	-3.513	0.847	-5.89	-1.082	3.291	0.532	-1.204	0.184	0.006	1.065	-0.477	-0.268	1.79	0.144	-0.216	-1.485	-0.215	2.283	-0.462	-0.153	-0.867	-0.418	0.969	0.321	-0.274	-0.495	0.078	0.317	-0.076	0.065	357.158	18.348	-2.779	0.35	-4.228	0.586	2.341	-0.432	-1.287	0.697	-0.133	1.214	-0.734	-0.3	1.283	0.152	0.058	-1.069	-0.116	1.283	-0.308	-0.115	-0.679	-0.07	0.649	-0.198	-0.162	-0.159	0.138	0.275	-0.219	-0.011	780.987	35.831	-3.703	1.052	-6.193	-1.931	3.186	1.036	-0.72	-0.021	-0.232	0.909	-0.138	-0.21	1.816	0.211	-0.416	-1.685	-0.137	2.606	-0.504	-0.186	-0.915	-0.548	0.998	0.61	-0.274	-0.621	0.022	0.284	0.09	0.066	1940.023	92.965	-14.387	3.584	-20.826	1.803	13.873	-0.883	-7.016	1.661	0.177	6.535	-3.461	-2.263	6.905	0.194	0.725	-4.179	-2.373	7.187	-1.028	-0.586	-2.478	-1.546	3.369	0.335	-1.145	-1.649	0.587	1.669	-1.102	0.115
ZINC03815290	741	23.794	-3.725	0.043	-6.531	-1.839	3.455	0.69	-0.922	-0.375	-0.606	0.16	-0.129	0.091	1.354	-0.123	-0.446	-2.111	0.421	2.668	-0.619	-0.297	-0.777	-0.111	1.275	0.181	-0.129	-0.705	-0.182	0.242	0.257	0.025	451.042	19.559	-3.171	0.276	-5.456	0.823	3.09	-1.204	-2.851	0.963	-0.704	2.172	-1.602	-1.162	1.261	-0.245	0.176	-1.349	-0.761	1.4	-0.3	-0.305	-0.278	-0.054	1.015	-0.331	-0.179	-0.502	0.324	0.381	-0.327	-0.172	332.135	14	-2.767	-0.208	-4.328	0.277	2.871	-0.796	-1.436	0.585	-0.121	1.148	-1.072	-0.659	1.43	-0.165	0.102	-1.317	-0.056	1.39	-0.26	-0.16	-0.507	0.106	0.893	-0.291	-0.255	-0.196	0.04	0.293	-0.242	-0.059	755.106	25.43	-4.326	0.159	-6.724	-1.839	3.793	0.649	-1.381	-0.354	-0.354	0.361	-0.334	-0.008	1.497	-0.171	-0.34	-2.089	0.245	2.749	-0.656	-0.303	-0.742	-0.186	1.337	0.17	-0.191	-0.737	-0.095	0.281	0.166	0.034	369.153	13.856	-2.435	0.031	-4.526	-0.103	2.526	-0.412	-1.239	0.455	-0.272	0.84	-0.861	-0.385	1.217	-0.124	-0.041	-1.365	0.06	1.411	-0.28	-0.146	-0.544	0.117	0.886	-0.21	-0.199	-0.248	-0.003	0.245	-0.128	-0.027	928.494	29.226	-5.206	0.503	-7.249	-2.577	3.939	1.099	-0.987	-0.708	-0.724	0.075	0.112	0.197	1.375	-0.125	-0.511	-2.459	0.428	3.237	-0.807	-0.367	-0.759	-0.266	1.411	0.392	-0.115	-0.941	-0.203	0.252	0.394	0.023	2074.932	80.567	-13.583	-0.567	-22.211	-2.83	13.592	-0.092	-7.064	0.41	-0.342	4.234	-3.473	-1.873	6.585	-1.082	0.075	-5.758	-0.841	8.033	-1.593	-1.036	-2.279	-0.634	4.417	-0.078	-1.029	-2.088	0.196	1.337	-0.352	0.044
ZINC00016978	630	31.176	-3.128	1.361	-5.589	-1.256	3.313	0.145	-0.314	-0.075	-0.036	0.547	-0.456	-0.488	1.831	-0.065	-0.194	-1.55	0.031	2.167	-0.349	-0.156	-0.918	-0.28	1.149	0.262	-0.227	-0.44	-0.051	0.23	0.071	0.03	368.698	22.874	-3.358	0.33	-4.969	2.874	3.995	-1.696	-1.484	0.994	-0.096	2.019	-1.431	-1.416	1.876	0.059	0.616	-1.135	-0.75	1.692	-0.327	-0.152	-0.59	-0.157	1.104	-0.529	-0.262	-0.078	0.124	0.427	-0.251	-0.109	298.516	19.359	-2.299	0.328	-4.128	1.125	3.226	-1.156	-1.043	0.578	0.118	1.177	-0.954	-0.874	1.573	-0.059	0.299	-1.117	-0.212	1.297	-0.297	-0.084	-0.647	0.01	0.831	-0.337	-0.244	-0.015	0.065	0.307	-0.266	-0.025	668.727	32.625	-3.729	1.742	-6.112	-0.951	3.877	0.141	-0.704	-0.017	0.136	0.754	-0.725	-0.62	1.992	-0.071	-0.053	-1.53	-0.197	2.307	-0.362	-0.153	-0.886	-0.395	1.264	0.247	-0.303	-0.489	0.001	0.289	-0.01	0.03	309.237	19.106	-2.195	0.511	-4.062	0.644	2.741	-0.876	-0.683	0.389	0.085	0.833	-0.704	-0.653	1.436	-0.052	0.145	-1.135	-0.03	1.278	-0.297	-0.083	-0.688	0.048	0.794	-0.273	-0.193	-0.018	0.021	0.236	-0.173	0.01	804.48	37.425	-4.326	2.299	-6.365	-1.865	3.758	0.587	-0.212	-0.277	-0.078	0.563	-0.473	-0.516	2.034	-0.041	-0.249	-1.703	-0.109	2.602	-0.359	-0.191	-0.939	-0.52	1.313	0.551	-0.291	-0.656	-0.047	0.256	0.138	0.02	2347.693	108.968	-14.714	6.819	-24.966	5.313	18.539	-1.241	-5.991	2.81	-0.52	6.69	-5.826	-3.885	7.803	-0.231	1.365	-4.316	-3.352	8.143	-1.13	-0.495	-2.725	-2.027	5.244	-0.393	-1.453	-1.77	0.276	1.674	-0.349	-0.177
ZINC03815316	780	36.125	-3.238	1.688	-6.202	-2.33	3.603	0.515	-0.191	-0.093	-0.209	0.223	-0.349	-0.224	2.001	-0.249	-0.38	-1.878	0.164	2.582	-0.493	-0.252	-0.984	-0.194	1.183	0.412	-0.217	-0.575	-0.164	0.184	0.253	0.016	322.81	21.543	-2.381	-0.286	-4.531	2.06	4.642	-1.872	-1.814	1.085	0.08	1.94	-1.476	-1.567	2.056	-0.098	0.59	-1.185	-0.513	1.456	-0.277	-0.119	-0.663	0.032	1.046	-0.411	-0.355	-0.032	0.092	0.479	-0.46	-0.152	324.589	19.826	-2.012	0.413	-4.264	0.735	3.481	-1.069	-1.172	0.646	0.069	1.135	-1.007	-0.876	1.677	-0.148	0.26	-1.206	-0.126	1.329	-0.295	-0.086	-0.721	0.075	0.871	-0.272	-0.265	-0.044	0.016	0.319	-0.27	-0.046	798.311	37.61	-3.769	1.899	-6.525	-2.088	4.212	0.493	-0.66	-0.072	0.099	0.397	-0.625	-0.363	2.155	-0.258	-0.205	-1.865	-0.025	2.691	-0.521	-0.247	-0.949	-0.271	1.272	0.413	-0.298	-0.619	-0.079	0.229	0.133	0.022	346.095	19.716	-1.83	0.661	-4.295	0.124	3.017	-0.73	-0.783	0.464	-0.034	0.795	-0.747	-0.606	1.547	-0.164	0.072	-1.234	0.043	1.332	-0.291	-0.086	-0.772	0.09	0.831	-0.195	-0.211	-0.071	-0.051	0.258	-0.147	-0.009	988.24	44.051	-4.644	2.64	-6.895	-3.345	4.005	1.035	-0.014	-0.336	-0.255	0.127	-0.256	-0.175	2.217	-0.263	-0.454	-2.137	0.086	3.139	-0.587	-0.34	-0.966	-0.388	1.297	0.742	-0.258	-0.816	-0.158	0.166	0.379	0	2220.682	114.443	-11.532	4.614	-22.784	-0.173	18.341	-1.277	-5.778	1.357	1.152	4.543	-4.45	-3.571	8.298	-0.975	1.26	-5.278	-1.781	8.187	-1.385	-0.692	-2.886	-0.87	4.656	0.403	-1.425	-1.68	0.132	1.468	-0.78	0.022
ZINC03815384	703	26.965	-3.566	1.048	-6.078	-2.167	4.156	0.315	-0.953	-0.41	0.456	0.216	-0.808	-0.286	2.043	-0.157	-0.173	-1.791	0.463	2.478	-0.709	-0.111	-1.08	-0.035	1.273	-0.011	-0.111	-0.495	-0.09	0.432	-0.074	-0.249	348.315	18.306	-2.451	-0.863	-4.456	1.505	4.357	-1.898	-1.644	0.881	0.188	2.082	-1.75	-1.315	2.152	-0.234	0.62	-1.212	-0.148	1.777	-0.496	-0.059	-0.728	0.145	1.067	-0.676	-0.357	0.065	0.151	0.647	-0.651	-0.36	327.919	16.214	-2.325	-0.411	-4.284	0.596	3.521	-1.268	-1.2	0.534	0.387	1.137	-1.401	-0.759	1.742	-0.194	0.246	-1.201	0.149	1.57	-0.506	-0.066	-0.755	0.189	0.907	-0.51	-0.244	0.034	0.065	0.429	-0.436	-0.223	731.676	28.33	-3.936	1.34	-6.396	-2.09	4.573	0.221	-1.266	-0.46	0.659	0.512	-1.057	-0.408	2.207	-0.189	-0.022	-1.776	0.329	2.607	-0.726	-0.107	-1.049	-0.095	1.367	-0.029	-0.193	-0.519	-0.022	0.513	-0.199	-0.286	338.468	15.786	-2.234	-0.227	-4.285	0.163	3.204	-0.944	-0.955	0.379	0.394	0.735	-1.187	-0.535	1.6	-0.169	0.085	-1.224	0.277	1.534	-0.507	-0.071	-0.803	0.201	0.872	-0.43	-0.183	-0.008	0.005	0.349	-0.323	-0.175	889.184	32.173	-4.802	2.103	-6.876	-3.239	4.79	0.793	-1.013	-0.824	0.497	0.229	-0.727	-0.284	2.274	-0.134	-0.19	-2.028	0.477	2.929	-0.792	-0.119	-1.125	-0.184	1.446	0.188	-0.1	-0.715	-0.089	0.524	-0.034	-0.321	2653.63	99.734	-9.684	5.11	-22.535	-3.855	20.907	-1.25	-5.754	-1.165	0.817	7.526	-4.868	-2.492	9.057	-1.264	2.403	-4.241	0.026	9.619	-2.1	-0.718	-3.017	-0.099	5.51	-0.961	-1.566	-1.495	0.65	2.954	-2.179	-1.883
ZINC03815228	903	45.606	-5.352	2.756	-6.494	-3.585	3.356	1.442	-0.196	0.026	-0.333	-0.721	0.017	0.365	1.174	0.22	-0.539	-1.7	-0.081	2.403	-0.757	-0.363	-0.884	-0.24	0.959	0.351	0.099	-0.493	-0.304	-0.052	0.647	-0.131	490.445	25.267	-4.505	0.48	-4.113	0.139	3.978	-0.762	-2.3	1.151	0.213	1.616	-1.476	-0.572	0.887	0.113	0.537	-0.863	-0.615	1.071	-0.462	-0.225	-0.27	-0.071	0.603	0.071	-0.051	-0.533	0.371	0.07	0.117	-0.142	369.358	23.271	-2.468	-0.165	-3.969	-0.239	3.36	-0.579	-1.183	0.326	0.383	0.648	-0.904	-0.349	1.049	0.082	0.088	-0.864	-0.213	0.999	-0.293	-0.125	-0.559	0.09	0.553	-0.004	-0.076	-0.328	0.118	0.052	0.021	-0.066	910.655	46.357	-5.592	2.753	-6.69	-3.529	3.729	1.341	-0.545	0.116	-0.152	-0.594	-0.138	0.234	1.267	0.222	-0.417	-1.707	-0.215	2.443	-0.748	-0.314	-0.868	-0.288	0.954	0.373	0.066	-0.486	-0.236	-0.075	0.615	-0.131	418.21	24.229	-2.578	0.223	-3.951	-0.734	2.984	-0.123	-0.919	0.268	0.249	0.348	-0.697	-0.055	0.911	0.093	-0.082	-0.9	-0.116	1.084	-0.35	-0.175	-0.615	0.085	0.607	0.031	-0.059	-0.365	0.073	0.049	0.092	-0.052	1173.662	56.861	-7.897	4.515	-7.758	-4.949	3.656	2.109	-0.117	0.131	-0.573	-1.099	0.264	0.414	1.337	0.326	-0.604	-2.135	-0.216	3.136	-1.002	-0.43	-0.886	-0.487	1.066	0.533	0.168	-0.508	-0.416	-0.14	0.864	-0.183	2343.849	123.14	-13.824	5.441	-21.282	-6.115	16.027	0.577	-5.217	1.119	0.203	2.367	-2.636	-2.009	5.312	0.146	0.666	-4.353	-2.499	6.652	-1.452	-0.695	-2.778	-0.762	2.894	1.005	-0.16	-1.774	0.245	0.04	1.089	-0.546
ZINC03815397	780	30.345	-3.468	1.299	-6.615	-3.151	4.294	0.426	-0.459	-0.559	0.404	-0.071	-0.9	-0.188	2.174	-0.167	0.001	-2.022	0.336	2.574	-0.639	-0.002	-1.132	-0.163	1.142	-0.004	-0.131	-0.336	-0.12	0.405	-0.165	-0.205	342.252	17.999	-2.412	-0.871	-4.531	1.409	4.3	-1.879	-1.577	0.867	0.208	1.952	-1.731	-1.305	2.103	-0.215	0.576	-1.222	-0.114	1.748	-0.463	-0.025	-0.706	0.132	1.023	-0.64	-0.346	0.102	0.163	0.606	-0.655	-0.316	344.589	17.048	-2.248	-0.335	-4.39	0.412	3.54	-1.25	-1.121	0.462	0.393	1.085	-1.415	-0.761	1.761	-0.182	0.28	-1.24	0.127	1.6	-0.47	-0.046	-0.757	0.16	0.871	-0.481	-0.269	0.056	0.069	0.411	-0.463	-0.208	794.053	31.313	-3.626	1.519	-6.952	-3.091	4.636	0.386	-0.747	-0.551	0.597	0.117	-1.131	-0.296	2.327	-0.194	0.107	-2.005	0.214	2.67	-0.639	0.031	-1.099	-0.223	1.213	-0.018	-0.186	-0.353	-0.039	0.466	-0.285	-0.221	366.983	17.145	-2.194	-0.108	-4.418	-0.077	3.264	-0.941	-0.865	0.27	0.403	0.708	-1.217	-0.542	1.643	-0.159	0.152	-1.278	0.234	1.584	-0.475	-0.058	-0.816	0.164	0.841	-0.404	-0.225	0.018	0	0.343	-0.358	-0.171	982.688	36.615	-4.428	2.311	-7.668	-4.67	4.94	0.996	-0.28	-0.909	0.341	-0.237	-0.851	-0.13	2.482	-0.16	0.015	-2.368	0.303	3.055	-0.698	0.073	-1.198	-0.37	1.245	0.174	-0.067	-0.479	-0.128	0.472	-0.154	-0.245	2529.963	99.319	-5.955	3.354	-24.833	-7.068	19.255	-0.633	-4.455	-0.982	0.544	4.132	-4.925	-2.308	8.701	-1.15	1.64	-4.947	0.073	8.96	-1.704	0.084	-2.952	-0.361	4.777	-0.746	-1.053	-0.692	0.873	2.73	-2.153	-1.216
ZINC03815077	1540	60.496	-14.967	13.974	-10.791	-0.507	1.325	1.751	2.487	-0.22	-0.324	-4.583	0.035	3.648	0.564	-0.791	-1.149	-1.596	1.959	2.022	-1.387	-0.221	-0.276	-0.592	0.414	0.535	0.192	-0.017	-1.308	0.257	1.073	0.32	537.184	26.221	-6.659	1.835	-4.794	4.52	0.569	-1.833	-1.378	1.85	-0.051	-0.261	-1.064	0.846	0.903	-1.056	-0.473	-0.5	1.046	-0.121	-0.361	-0.263	0.548	-0.18	-0.097	-0.045	0.251	0.384	-0.425	-0.225	-0.001	0.138	466.661	26.513	-5.136	1.962	-4.258	2.03	1.034	-1.029	-0.207	1.003	0.093	-1.55	-0.635	1.422	0.573	-0.851	-0.667	-0.4	1.069	0.111	-0.567	-0.02	0.173	-0.267	-0.05	0.174	0.192	0.033	-0.48	-0.012	0.427	0.046	1526.759	61.685	-14.853	13.663	-10.839	-0.408	1.309	1.551	2.279	-0.07	0.032	-4.663	-0.187	3.487	0.789	-0.773	-1.183	-1.59	1.822	2.034	-1.371	-0.245	-0.088	-0.612	0.357	0.471	0.199	0.086	-1.186	0.166	0.956	0.328	563.277	29.188	-5.883	3.327	-4.798	1.509	0.848	-0.246	0.062	0.763	-0.02	-1.864	-0.324	1.791	0.399	-0.845	-0.704	-0.497	1.244	0.235	-0.577	-0.028	-0.01	-0.305	0.091	0.297	0.2	-0.041	-0.622	0.068	0.579	0.057	2046.79	74.633	-20.227	19.751	-13.951	-0.994	1.429	2.347	3.747	-0.513	-0.42	-5.718	-0.063	4.457	0.776	-0.702	-1.245	-2.173	2.127	2.931	-1.809	-0.282	-0.193	-0.794	0.417	0.58	0.29	0.052	-1.497	0.245	1.153	0.528	3281.064	146.804	-34.509	31.964	-24.746	0.49	2.326	0.311	4.149	0.251	3.197	-10.514	-2.561	5.181	3.286	-0.907	-3.228	-2.69	2.092	4.318	-2.362	-1.333	2.004	-1.24	0.201	0.508	-0.356	1.486	-1.585	-0.152	0.918	-0.021
ZINC03815300	703	26.267	-3.483	1.057	-6.023	-2.092	3.909	0.496	-1.081	-0.156	0.293	0.161	-0.837	-0.133	1.905	-0.077	-0.282	-1.755	0.42	2.475	-0.755	-0.044	-1.086	-0.087	1.14	-0.015	-0.052	-0.479	-0.101	0.393	-0.049	-0.201	476.816	19.483	-3.403	1.233	-4.899	1.976	3.869	-1.201	-2.26	0.894	-0.65	2.279	-1.728	-0.766	1.509	0.06	0.502	-1.163	-0.332	1.99	-0.535	-0.173	-0.537	-0.124	1.065	-0.623	-0.17	-0.071	0.169	0.51	-0.671	-0.361	344.217	16.055	-2.468	-0.092	-4.359	0.666	3.345	-1.112	-1.28	0.615	0.237	1.123	-1.413	-0.623	1.587	-0.12	0.202	-1.183	0.125	1.575	-0.522	-0.058	-0.709	0.14	0.859	-0.502	-0.212	0.007	0.064	0.385	-0.432	-0.208	721.092	27.123	-3.778	1.277	-6.31	-2.004	4.25	0.448	-1.407	-0.142	0.474	0.356	-1.062	-0.221	2.026	-0.102	-0.184	-1.744	0.292	2.569	-0.785	-0.024	-1.052	-0.14	1.208	-0.04	-0.106	-0.487	-0.033	0.456	-0.17	-0.221	375.413	16.344	-2.435	0.228	-4.408	0.266	3.045	-0.761	-1.139	0.501	0.147	0.868	-1.248	-0.384	1.442	-0.069	0.068	-1.201	0.194	1.598	-0.54	-0.059	-0.76	0.129	0.828	-0.414	-0.158	-0.058	0.007	0.32	-0.318	-0.182	868.663	30.881	-4.436	1.803	-6.694	-3.162	4.452	1.03	-1.188	-0.418	0.287	0.054	-0.731	-0.093	2.123	-0.067	-0.361	-1.998	0.432	2.896	-0.863	-0.01	-1.148	-0.231	1.251	0.173	0.012	-0.678	-0.104	0.47	0.011	-0.245	2305.379	83.414	-7.534	2.83	-22.536	-3.892	17.551	-0.634	-6.685	-0.208	0.097	3.801	-4.642	-1.765	7.227	-0.96	0.577	-4.416	0.348	8.222	-2.455	-0.363	-3.004	-0.163	4.629	-1.096	-0.784	-0.965	0.663	2.557	-1.786	-1.19
ZINC02572485	861	42.543	-4.691	3.74	-6.815	-3.647	3.264	0.462	-0.202	-0.196	-0.428	0.127	-0.232	0.229	1.354	0.453	-0.796	-1.785	0.668	2.439	-0.722	0.251	-1.153	-0.298	1.196	0.163	-0.207	-0.64	-0.307	0.269	0.208	-0.009	487.621	19.259	-4.877	-0.957	-4.776	2.653	3.716	-1.061	-2.292	1.21	-0.61	2.242	-1.188	-0.829	1.826	0.315	0.387	-1.229	-0.539	1.595	-0.218	-0.113	-0.443	-0.438	0.796	-0.412	-0.179	-0.438	0.254	0.416	-0.461	-0.246	372.743	21.147	-2.52	0.259	-4.185	0.416	3.169	-0.937	-1.348	0.723	-0.111	0.992	-0.874	-0.639	1.445	0.016	0.122	-1.165	0.007	1.326	-0.367	0.06	-0.614	-0.081	0.828	-0.311	-0.217	-0.142	0.018	0.341	-0.243	-0.066	871.417	42.501	-5.344	3.978	-7.156	-3.364	3.727	0.37	-0.515	-0.24	-0.198	0.366	-0.385	0.021	1.537	0.453	-0.686	-1.746	0.417	2.544	-0.716	0.211	-1.073	-0.391	1.27	0.158	-0.262	-0.633	-0.262	0.332	0.092	-0.022	418.688	22.272	-2.394	0.445	-4.256	-0.257	2.681	-0.497	-1.105	0.602	-0.233	0.655	-0.655	-0.286	1.264	0.096	-0.084	-1.208	0.222	1.352	-0.408	0.103	-0.704	-0.097	0.807	-0.258	-0.175	-0.211	-0.038	0.275	-0.126	-0.043	1081.481	51.959	-6.662	5.691	-8.045	-4.851	3.638	0.771	0.146	-0.518	-0.465	0.136	-0.139	0.351	1.408	0.671	-1.025	-2.008	0.728	2.939	-0.853	0.291	-1.262	-0.43	1.282	0.418	-0.228	-0.868	-0.366	0.285	0.265	-0.007	2307.641	113.779	-17.955	9.812	-22.202	-3.534	16.014	-1.657	-5.125	0.475	-0.384	4.636	-2.9	-2.838	6.375	0.618	-0.056	-4.651	-1.308	7.728	-1.564	0.207	-2.476	-1.563	4.357	-0.043	-1.115	-1.568	-0.279	1.75	-0.745	-0.343
ZINC03815298	703	26.562	-3.592	1.171	-6.182	-1.91	3.753	0.527	-0.76	-0.161	0.525	-0.169	-0.672	-0.26	2.03	-0.272	-0.155	-1.844	0.549	2.504	-0.756	-0.05	-1.085	-0.074	1.192	-0.041	-0.078	-0.422	-0.144	0.389	-0.023	-0.192	383.025	18.703	-2.813	-0.077	-4.759	2.194	3.788	-1.875	-1.073	0.951	0.604	1.346	-1.662	-1.346	2.014	-0.271	0.625	-1.234	-0.156	1.967	-0.606	0.024	-0.649	0.087	1.098	-0.738	-0.279	0.227	0.03	0.488	-0.516	-0.279	339.197	16.317	-2.437	-0.168	-4.41	0.841	3.253	-1.206	-0.97	0.57	0.528	0.86	-1.337	-0.755	1.691	-0.212	0.26	-1.209	0.172	1.633	-0.551	-0.033	-0.728	0.163	0.893	-0.535	-0.227	0.083	0.028	0.368	-0.394	-0.187	724.623	27.555	-3.933	1.458	-6.509	-1.766	4.056	0.477	-1.021	-0.115	0.753	-0.035	-0.884	-0.375	2.177	-0.338	-0.026	-1.85	0.432	2.617	-0.788	-0.022	-1.049	-0.127	1.267	-0.069	-0.135	-0.414	-0.092	0.449	-0.127	-0.21	362.503	16.479	-2.384	0.082	-4.461	0.454	2.936	-0.87	-0.737	0.411	0.516	0.518	-1.118	-0.557	1.586	-0.201	0.143	-1.236	0.292	1.643	-0.563	-0.042	-0.785	0.161	0.872	-0.456	-0.178	0.034	-0.035	0.303	-0.28	-0.151	872.882	31.252	-4.638	2.037	-6.918	-2.934	4.237	1.108	-0.814	-0.383	0.539	-0.343	-0.53	-0.241	2.274	-0.324	-0.193	-2.125	0.595	2.926	-0.856	-0.019	-1.14	-0.219	1.312	0.146	-0.024	-0.615	-0.16	0.47	0.04	-0.236	2395.666	87.081	-8.545	4.732	-23.359	-1.992	17.11	-0.325	-4.659	0.3	1.727	1.944	-4.387	-2.75	7.65	-2.17	1.081	-4.9	0.56	8.797	-2.508	-0.052	-2.855	-0.027	4.977	-1.182	-0.855	-0.561	0.278	2.435	-1.527	-1.158
ZINC03815059	1378	40.754	-12.875	11.032	-9.362	-1.849	1.516	2.346	1.821	-0.053	-0.461	-3.301	0.664	3.816	-0.22	-0.313	-1.224	-1.973	1.766	1.823	-1.733	0.385	-0.445	-0.243	0.603	0.267	0.162	-0.03	-1.458	-0.237	1.434	0.126	528.688	15.39	-6.274	-0.516	-3.949	3.255	1.468	-1.924	-1.134	2.052	-0.32	-0.292	-1.193	1	0.605	-0.949	-0.331	-0.447	0.908	-0.162	-0.499	0.195	0.48	-0.243	-0.283	-0.198	0.365	0.325	-0.526	-0.195	0.056	0.173	442.631	18.726	-4.388	1.523	-4.066	1.2	1.511	-0.775	-0.192	0.936	0.108	-1.183	-0.807	1.469	0.327	-0.696	-0.581	-0.493	0.95	0.077	-0.663	0.382	0.029	-0.176	-0.013	0.064	0.23	-0.012	-0.499	-0.197	0.482	0.019	1374.527	39.111	-13.322	10.822	-9.345	-1.528	1.743	1.982	1.472	0.1	-0.236	-3.319	0.451	3.706	-0.178	-0.409	-1.187	-1.949	1.743	1.759	-1.741	0.408	-0.321	-0.278	0.521	0.207	0.167	0.101	-1.415	-0.323	1.34	0.141	525.373	21.759	-4.912	2.589	-4.576	0.587	1.242	0.026	0.095	0.734	0.036	-1.507	-0.504	1.839	0.157	-0.614	-0.713	-0.66	1.041	0.264	-0.709	0.369	-0.142	-0.186	0.113	0.166	0.2	-0.117	-0.604	-0.144	0.636	-0.007	1821.634	49.08	-18.145	15.771	-11.808	-2.529	1.564	3.007	2.562	-0.149	-0.59	-4.026	0.955	4.75	-0.366	-0.118	-1.35	-2.624	1.992	2.599	-2.251	0.367	-0.333	-0.351	0.708	0.261	0.164	0.118	-1.79	-0.365	1.68	0.23	3214.82	51.257	-37.709	22.011	-17.018	-2.492	8.117	-0.201	-1.336	2.127	-0.918	-6.2	1.227	4.979	-0.948	-1.543	-2.491	-3.148	4.212	2.026	-3.458	1.971	-0.449	0.08	0.198	-0.986	1.062	1.518	-3.398	-0.612	1.9	-0.019
ZINC03815201	1378	50.51	-12.318	12.063	-10.561	-0.512	1.828	1.556	1.738	-0.827	0.059	-3.974	0.461	3.32	-0.421	-0.553	-1.22	-1.765	2.156	1.842	-2.046	0.294	-0.485	-0.223	0.221	0.577	0.243	-0.099	-1.461	-0.006	1.253	0.405	528.688	24.666	-5.767	2.511	-4.778	4.269	0.818	-1.766	-1.941	1.412	-0.253	-0.169	-0.921	0.856	0.271	-0.783	-0.3	-0.593	1.419	-0.399	-0.346	-0.118	0.305	-0.287	-0.514	-0.144	0.297	0.19	-0.305	-0.092	0.069	0.48	442.631	23.835	-4.575	2.346	-4.691	2.053	1.361	-1.013	-0.419	0.804	0.107	-1.317	-0.541	1.548	0.182	-0.741	-0.541	-0.451	1.158	-0.02	-0.735	0.233	0.076	-0.221	-0.187	0.131	0.24	-0.064	-0.452	-0.148	0.476	0.207	1374.527	51.365	-12.507	12.151	-10.518	-0.262	2.069	1.293	1.354	-0.693	0.297	-3.946	0.321	3.187	-0.295	-0.613	-1.155	-1.753	2.15	1.734	-2.025	0.287	-0.357	-0.273	0.161	0.493	0.282	-0.057	-1.35	-0.143	1.174	0.49	525.373	25.806	-5.158	3.397	-5.224	1.45	1.078	-0.314	-0.109	0.51	0.023	-1.704	-0.295	1.869	0.008	-0.698	-0.652	-0.589	1.288	0.185	-0.802	0.217	-0.119	-0.214	-0.06	0.262	0.19	-0.147	-0.578	-0.051	0.618	0.168	1821.634	62.094	-17.018	16.784	-13.046	-0.923	2.053	2.073	2.525	-1.262	0.18	-4.893	0.531	3.919	-0.556	-0.43	-1.32	-2.46	2.476	2.653	-2.674	0.326	-0.465	-0.271	0.245	0.648	0.328	-0.013	-1.77	-0.05	1.432	0.593	3214.82	127.519	-31.568	32.423	-22.362	-1.508	10.467	0.576	-2.877	0.111	0.692	-6.73	1.565	3.087	-0.586	-0.991	-2.499	-2.132	4.959	1.154	-3.509	0.908	-0.077	-0.669	-0.416	-0.369	1.748	0.198	-2.698	-0.913	1.448	1.831
ZINC03815066	780	28.208	-1.403	-0.38	-6.114	-0.899	3.467	0.285	-0.883	-0.526	-0.964	0.734	-0.176	-0.232	1.502	-0.059	-0.145	-1.969	0.313	2.549	-0.356	-0.609	-0.814	-0.29	0.975	0.198	0.02	-0.503	-0.157	0.451	0.179	0.221	492.557	17.618	-5.484	-0.729	-4.942	2.523	3.831	-1.369	-2.795	0.827	-0.777	2.072	-1.149	-0.819	1.585	-0.039	0.397	-1.192	-0.456	1.773	-0.335	-0.373	-0.389	-0.254	1.045	-0.487	-0.289	-0.368	0.442	0.433	-0.513	-0.25	350.867	16.862	-1.837	0.037	-4.285	0.746	3.284	-1.052	-1.648	0.407	-0.185	1.247	-0.951	-0.728	1.394	-0.122	0.186	-1.154	-0.035	1.317	-0.275	-0.329	-0.524	-0.033	0.836	-0.281	-0.225	-0.127	0.13	0.368	-0.283	-0.031	807.368	29.505	-2.523	-0.239	-6.393	-0.589	3.76	0.237	-1.387	-0.485	-0.79	0.895	-0.342	-0.37	1.635	-0.052	0.007	-2.01	0.14	2.7	-0.404	-0.603	-0.785	-0.361	1.089	0.188	-0.018	-0.541	-0.069	0.531	0.054	0.228	381.701	16.578	-1.43	0.194	-4.273	0.267	2.964	-0.671	-1.3	0.244	-0.32	1	-0.758	-0.408	1.225	-0.09	0.035	-1.144	0.099	1.32	-0.258	-0.346	-0.547	-0.01	0.754	-0.19	-0.189	-0.168	0.072	0.289	-0.165	0.014	981.298	33.847	-2.478	-0.409	-6.852	-1.306	3.666	0.68	-0.796	-0.857	-1.267	0.766	0.041	-0.231	1.591	-0.016	-0.137	-2.338	0.288	3.157	-0.426	-0.714	-0.848	-0.474	1.006	0.416	0.126	-0.69	-0.197	0.534	0.285	0.297	2314.879	89.913	-13.565	0.803	-22.558	3.012	15.099	-1.982	-8.443	-0.104	-1.68	5.181	-2.657	-3.469	6.672	-0.391	1.142	-5.726	-1.253	8.303	-1.201	-1.672	-2.438	-1.292	4.506	-0.035	-0.765	-1.538	0.558	2.314	-0.803	0.264
ZINC04617768	1540	59.763	-16.232	13.162	-9.848	-1.975	2.165	2.17	2.497	-0.395	-0.047	-4.208	0.451	3.715	0.611	-0.47	-1.245	-1.914	1.521	2.138	-1.454	-0.05	-0.781	-0.524	0.813	0.293	0.27	0.086	-1.464	0.113	0.861	0.28	537.184	24.611	-6.644	1.843	-5.006	3.16	1.801	-1.472	-0.781	1.938	-0.135	-0.207	-1.297	1.319	0.921	-0.659	-0.298	-0.33	0.859	-0.06	-0.318	-0.282	0.348	-0.072	-0.19	0.061	0.293	0.064	-0.392	-0.141	-0.005	0.078	466.661	26.343	-5.408	1.681	-4.202	1.517	1.579	-0.806	-0.023	1.001	0.191	-1.484	-0.739	1.693	0.539	-0.617	-0.587	-0.426	0.991	0.112	-0.652	0.057	-0.03	-0.196	0.023	0.041	0.267	-0.009	-0.519	-0.074	0.35	0.014	1526.759	61.279	-16.042	12.762	-9.878	-1.927	2.143	2.041	2.221	-0.201	0.27	-4.255	0.175	3.603	0.85	-0.48	-1.267	-1.903	1.384	2.126	-1.407	-0.085	-0.609	-0.585	0.763	0.225	0.258	0.174	-1.345	0.039	0.743	0.269	563.277	28.708	-6.282	3.014	-4.661	0.852	1.4	-0.023	0.278	0.688	0.086	-1.822	-0.408	2.003	0.337	-0.613	-0.645	-0.575	1.115	0.252	-0.703	0.079	-0.236	-0.222	0.139	0.154	0.279	-0.095	-0.664	0.002	0.506	0.035	2046.79	73.926	-21.982	18.632	-12.661	-2.891	2.437	2.856	3.631	-0.73	0.011	-5.135	0.62	4.462	0.864	-0.33	-1.414	-2.595	1.522	3.086	-1.796	-0.112	-0.848	-0.744	0.995	0.337	0.326	0.222	-1.72	0.091	0.88	0.453	3281.064	149.066	-35.682	28.421	-22.063	-3.379	4.177	2.252	3.451	0.294	3.407	-9.068	-2.38	5.76	3.774	-0.433	-3.266	-3.074	1.061	4.325	-1.825	-1.109	0.718	-1.622	1.207	-0.016	-0.219	1.52	-2.066	-0.176	0.459	-0.25
ZINC03815198	1540	57.977	-15.578	9.116	-9.521	-2.594	1.405	2.047	1.403	-0.676	0.021	-3.93	-0.422	3.722	0.255	-1.096	-0.976	-1.925	1.629	2.374	-1.477	0.038	-0.253	-0.333	0.063	0.755	-0.034	-0.096	-1.204	0.204	1.112	0.26	537.184	29.182	-7.838	1.736	-3.992	4.287	0.8	-1.818	-1.569	1.497	0.271	-0.408	-1.334	1.393	0.778	-1.118	-0.021	-0.569	1.183	0.15	-0.399	-0.159	0.25	-0.07	-0.593	0.066	0.119	-0.013	-0.194	0.09	-0.019	0.311	466.661	26.163	-5.303	1.212	-3.958	1.941	1.051	-1.047	-0.409	0.889	0.289	-1.342	-0.841	1.843	0.477	-0.882	-0.52	-0.436	1.062	0.231	-0.612	0.093	0.069	-0.156	-0.247	0.247	0.175	-0.169	-0.371	0.001	0.446	0.042	1526.759	59.761	-15.436	8.855	-9.446	-2.24	1.382	1.978	1.16	-0.432	0.387	-3.986	-0.69	3.673	0.513	-1.165	-0.885	-1.958	1.559	2.374	-1.496	0.023	-0.11	-0.301	-0.054	0.693	-0.057	-0.031	-1.076	0.127	1.004	0.284	563.277	28.444	-6.039	2.108	-4.363	1.165	0.878	-0.328	-0.213	0.562	0.146	-1.686	-0.515	2.101	0.263	-0.883	-0.612	-0.556	1.154	0.382	-0.634	0.098	-0.08	-0.224	-0.135	0.39	0.147	-0.246	-0.514	0.068	0.601	0.036	2046.79	72.004	-21.26	13.155	-12.239	-3.923	1.561	2.777	2.227	-1.144	0.028	-4.907	-0.692	4.386	0.403	-1.197	-0.989	-2.634	1.693	3.36	-1.896	0.025	-0.148	-0.416	0.02	0.862	-0.058	0.049	-1.411	0.213	1.202	0.444	3281.064	149.228	-32.638	20.368	-21.636	0.534	1.422	5.704	-0.6	1.842	3.804	-8.388	-3.799	6.202	4.137	-3.717	-0.082	-4.706	2.368	5.513	-3.359	-0.069	0.827	0.408	-1.705	1.007	-1.101	0.69	-1.108	-0.237	1.085	0.197
ZINC04617774	1540	59.507	-15.211	14.167	-11.164	-0.148	1.636	1.801	2.544	0.013	0.2	-4.27	0.064	3.481	0.536	-0.574	-1.236	-1.58	2.068	1.955	-1.459	-0.253	-0.231	-0.522	0.281	0.522	0.264	-0.098	-1.213	0.108	1.068	0.275	537.184	25.585	-6.799	1.198	-5.256	4.539	0.938	-1.963	-1.267	2.008	-0.027	-0.098	-1.035	0.806	0.989	-1.027	-0.4	-0.464	1.03	-0.043	-0.253	-0.176	0.52	-0.125	0.015	0.048	0.257	0.349	-0.365	-0.19	0.045	0.149	466.661	26.099	-5.218	1.719	-4.401	2.216	1.243	-1.068	-0.077	1.14	0.224	-1.455	-0.575	1.437	0.689	-0.818	-0.662	-0.344	1.078	0.102	-0.579	0.01	0.149	-0.226	-0.041	0.192	0.2	0	-0.425	-0.051	0.433	0.048	1526.759	60.576	-15.131	13.573	-11.241	-0.057	1.731	1.574	2.443	0.196	0.477	-4.288	-0.12	3.355	0.751	-0.55	-1.236	-1.559	1.903	1.99	-1.418	-0.281	-0.052	-0.527	0.243	0.426	0.249	0.024	-1.101	0.033	0.965	0.314	563.277	28.8	-5.951	3.252	-4.922	1.705	1.008	-0.278	0.137	0.874	0.158	-1.788	-0.257	1.783	0.506	-0.818	-0.728	-0.454	1.25	0.207	-0.613	-0.001	-0.017	-0.267	0.071	0.32	0.22	-0.105	-0.564	0.018	0.555	0.04	2046.79	73.366	-20.608	20.177	-14.414	-0.546	1.837	2.413	3.776	-0.214	0.255	-5.264	-0.091	4.208	0.609	-0.377	-1.342	-2.149	2.29	2.848	-1.883	-0.359	-0.129	-0.709	0.239	0.559	0.367	-0.018	-1.416	0.054	1.183	0.456	3281.064	142.358	-35.028	26.86	-27.308	0.803	5.436	0.023	5.679	1.347	3.276	-8.638	-1.767	5.248	3.252	-0.059	-2.891	-2.672	2.119	4.598	-2.055	-1.306	1.912	-1.017	0.363	0.129	-0.354	1.612	-1.446	-0.181	1.214	0.482
ZINC03815064	1378	54.691	-13.827	12.524	-11.353	-0.204	1.557	1.633	2.403	-0.589	0.081	-3.943	0.071	3.834	-0.273	-0.715	-1.325	-1.369	1.87	2.089	-1.786	0.212	-0.588	-0.381	0.115	0.578	0.316	0.019	-1.415	-0.007	1.166	0.305	528.688	24.5	-6.394	1.112	-4.862	4.272	1.102	-1.551	-1.315	1.472	-0.57	0.059	-0.779	0.853	0.585	-1.123	-0.401	-0.192	1.105	-0.368	-0.44	-0.012	0.345	-0.395	-0.298	-0.141	0.512	0.308	-0.484	-0.172	0.142	0.268	442.631	25.045	-4.814	1.578	-4.401	2.017	1.253	-0.964	-0.101	0.873	0.031	-1.357	-0.486	1.477	0.371	-0.854	-0.618	-0.232	1.027	0.027	-0.73	0.183	0.145	-0.283	-0.186	0.164	0.308	0.013	-0.515	-0.105	0.471	0.099	1374.527	55.197	-13.92	12.184	-11.426	0.008	1.775	1.419	2.179	-0.446	0.248	-3.878	0.002	3.741	-0.143	-0.735	-1.328	-1.284	1.784	1.992	-1.789	0.246	-0.445	-0.429	0.058	0.479	0.406	0.076	-1.339	-0.109	1.069	0.362	525.373	27.488	-5.51	2.873	-4.933	1.494	0.949	-0.257	0.13	0.628	0.004	-1.751	-0.272	1.833	0.209	-0.835	-0.713	-0.378	1.168	0.248	-0.757	0.141	-0.039	-0.293	-0.06	0.303	0.257	-0.048	-0.636	-0.021	0.61	0.08	1821.634	67.055	-18.933	17.863	-14.692	-0.485	1.783	2.125	3.521	-0.996	0.144	-4.765	-0.068	4.71	-0.428	-0.609	-1.499	-1.873	2.041	3.015	-2.31	0.252	-0.676	-0.481	0.08	0.632	0.445	0.103	-1.672	-0.077	1.307	0.482	3214.57	132.389	-36.124	25.751	-24.353	-1.155	9.908	1.247	1.35	0.999	0.197	-6.22	1.536	5.742	-0.417	-0.9	-3.317	-0.609	3.195	1.557	-3.596	1.866	-0.308	-0.993	-0.749	-0.655	2.552	0.662	-2.997	-0.592	1.036	0.915
ZINC03815087	1770	63.486	-15.352	12.409	-10.641	-3.951	1.045	3.346	1.991	-0.147	-1.919	-4.473	1.587	3.974	-0.285	-0.401	-1.568	-1.9	2.193	2.638	-2.127	0.419	-0.734	-0.786	0.622	0.528	0.696	0.015	-1.59	-0.355	1.869	0.033	532.312	24.694	-7.015	0.069	-4.477	3.139	0.44	-0.921	-0.948	1.677	-0.545	-0.301	-0.997	1.607	0.605	-1.09	-0.34	-0.517	1.213	-0.173	-0.649	-0.135	0.211	-0.081	-0.381	0.108	0.425	0.322	-0.391	-0.157	-0.171	0.356	509.956	26.525	-5.4	1.033	-4.302	0.87	1.074	-0.531	-0.179	0.872	-0.3	-1.588	-0.507	2.013	0.256	-0.877	-0.633	-0.456	1.217	0.213	-0.901	0.229	-0.157	-0.214	-0.13	0.211	0.413	0.046	-0.488	-0.144	0.545	0.187	1713.419	63.408	-15.532	11.818	-10.545	-3.569	1.178	3.114	1.608	0.037	-1.546	-4.572	1.322	3.941	-0.131	-0.431	-1.534	-1.906	2.126	2.548	-2.14	0.428	-0.631	-0.818	0.542	0.507	0.681	0.13	-1.456	-0.474	1.729	0.119	641.011	29.949	-6.164	2.424	-4.937	0.003	0.836	0.408	0.157	0.552	-0.552	-1.915	-0.067	2.322	0.053	-0.841	-0.745	-0.625	1.357	0.433	-0.905	0.237	-0.328	-0.283	0.028	0.32	0.423	-0.047	-0.641	-0.108	0.743	0.114	2358.661	79.466	-21.566	18.043	-13.437	-5.335	0.996	4.353	2.769	-0.251	-2.516	-5.569	2.159	4.612	-0.369	-0.025	-1.821	-2.576	2.4	3.708	-2.761	0.545	-0.695	-1.151	0.786	0.592	0.86	0.185	-1.939	-0.599	2.246	0.037	3016.32	121.842	-29.808	19.108	-21.389	-3.789	3.972	3.769	1.274	1.205	-1.752	-8.548	0.705	7.344	1.175	-1.652	-2.987	-3.504	3.743	4.561	-4.138	0.365	-0.668	-1.556	0.57	0.858	1.286	0.731	-2.192	-1.371	2.343	0.917
ZINC03815040	1540	55.488	-15.45	8.448	-9.574	-3.374	1.886	2.922	1.691	-0.316	-0.019	-3.89	0.014	3.689	0.474	-0.375	-1.875	-2.059	1.641	2.142	-1.529	0.501	-0.335	-0.569	0.769	0.186	0.557	-0.021	-1.247	-0.014	0.618	0.2	537.184	22.342	-7.892	-0.755	-4.302	3.84	1.206	-1.201	-1.111	1.874	0.184	-0.479	-1.132	0.899	0.837	-1.055	-0.633	-0.639	1	0.013	-0.158	-0.061	0.473	-0.25	0.026	0.028	0.184	0.446	-0.269	-0.055	-0.32	0.214	466.661	24.666	-5.54	0.859	-3.997	1.224	1.24	-0.601	-0.454	0.842	0.345	-1.385	-0.724	1.66	0.559	-0.614	-0.784	-0.55	1.051	0.164	-0.506	0.281	0.076	-0.195	0.064	0.14	0.293	-0.005	-0.375	-0.026	0.214	0.056	1526.759	57.034	-15.459	8.336	-9.68	-3.175	1.932	2.716	1.491	-0.199	0.304	-3.986	-0.179	3.552	0.667	-0.432	-1.872	-2.041	1.52	2.162	-1.453	0.446	-0.149	-0.602	0.693	0.153	0.501	0.122	-1.143	-0.051	0.47	0.234	563.277	26.726	-6.222	1.594	-4.337	0.461	1.041	0.247	-0.179	0.635	0.206	-1.723	-0.462	1.946	0.39	-0.574	-0.881	-0.721	1.182	0.303	-0.568	0.342	-0.099	-0.234	0.19	0.222	0.333	-0.104	-0.517	-0.003	0.337	0.034	2046.79	68.722	-20.96	12.261	-12.334	-4.719	2.199	3.804	2.677	-0.635	-0.051	-4.773	0.017	4.417	0.61	-0.301	-2.277	-2.74	1.694	3.073	-2	0.574	-0.233	-0.801	0.908	0.138	0.7	0.137	-1.505	-0.09	0.591	0.33	3281.064	139.333	-35.86	20.431	-23.062	-4.104	4.813	3.013	2.946	-0.589	3.887	-8.635	-1.956	5.727	2.519	-0.699	-4.607	-3.273	1.246	4.72	-1.652	-0.465	2.097	-1.833	1.079	-0.161	-0.039	2.174	-1.762	0.205	-0.628	0.615
ZINC03815049	1378	55.197	-13.169	15.883	-11.857	1.109	2.386	1.904	1.504	-0.142	0.121	-4.109	0.927	3.871	-0.634	-0.797	-1.537	-1.687	1.37	2.222	-2.033	0.629	-0.636	-0.557	0.631	0.356	0.595	0.075	-1.097	0.047	1.11	0.208	528.688	25.491	-5.72	3.114	-5.065	4.061	0.68	-1.4	-1.057	2.819	-0.265	0.436	-0.846	1.006	0.375	-1.156	-0.271	-0.183	1.147	-0.305	-0.607	0.35	0.524	-0.232	-0.104	-0.065	0.493	0.248	-0.499	-0.159	-0.075	0.228	442.631	25.375	-4.597	2.59	-4.535	2.268	1.468	-0.823	-0.23	1.222	0.189	-1.309	-0.334	1.613	0.124	-0.858	-0.598	-0.346	0.963	0.094	-0.811	0.346	0.118	-0.23	-0.035	0.042	0.397	0.011	-0.476	-0.101	0.365	0.079	1374.527	55.757	-13.163	15.654	-11.945	1.257	2.585	1.699	1.248	0.049	0.31	-4.056	0.81	3.758	-0.521	-0.811	-1.533	-1.577	1.289	2.129	-2.01	0.637	-0.499	-0.616	0.576	0.272	0.648	0.174	-1.054	-0.058	1	0.268	525.373	27.784	-5.208	4.035	-5.139	1.79	1.216	-0.123	0.029	0.979	0.191	-1.741	-0.086	1.983	-0.056	-0.84	-0.714	-0.52	1.074	0.305	-0.876	0.366	-0.077	-0.267	0.092	0.173	0.357	-0.078	-0.554	-0.031	0.506	0.04	1821.634	67.867	-18.071	22.508	-15.468	1.339	2.825	2.448	2.22	-0.436	0.128	-5.005	1.093	4.701	-0.9	-0.72	-1.861	-2.248	1.321	3.179	-2.595	0.768	-0.706	-0.787	0.802	0.41	0.767	0.235	-1.279	-0.007	1.26	0.334	3214.57	133.047	-32.169	34.648	-24.752	1.02	10.455	2.335	-1.612	2.888	0.443	-6.351	2.8	5.102	-1.073	-1.074	-3.372	-1.26	2.276	1.753	-3.716	2.172	-0.465	-1.197	0.444	-1.008	2.796	1.309	-2.562	-0.197	0.661	0.98
ZINC03815243	1770	65.679	-15.436	10.021	-11.804	-1.951	1.967	2.287	1.497	-0.183	-0.346	-4.852	0.517	3.864	0.554	-0.603	-1.883	-1.767	2.093	3.173	-2.095	-0.094	-0.491	-0.927	0.653	0.544	0.554	-0.201	-1.321	-0.135	1.717	0.397	532.312	26.371	-5.885	1.07	-4.631	4.717	0.691	-2.054	-1.579	1.836	-0.123	-0.309	-1.15	1.025	0.865	-1.154	-0.266	-0.584	1.194	-0.055	-0.682	-0.062	0.398	-0.276	-0.146	-0.139	0.468	0.154	-0.307	-0.049	0.041	0.491	509.956	27.613	-4.969	1.109	-4.676	1.757	1.283	-0.986	-0.336	0.902	0.116	-1.583	-0.658	1.63	0.573	-0.914	-0.633	-0.458	1.117	0.404	-0.881	0.139	0.036	-0.315	0.016	0.041	0.389	-0.099	-0.463	-0.056	0.483	0.217	1713.419	65.655	-15.16	9.614	-11.615	-1.688	2.064	1.995	1.209	0.045	-0.035	-4.89	0.348	3.793	0.709	-0.627	-1.831	-1.768	2.066	3.081	-2.076	-0.077	-0.359	-0.937	0.621	0.483	0.565	-0.111	-1.214	-0.269	1.629	0.461	641.011	31.337	-5.793	2.302	-5.467	1.041	1.114	-0.146	-0.119	0.567	-0.011	-1.974	-0.329	1.973	0.428	-0.895	-0.766	-0.565	1.22	0.657	-0.919	0.108	-0.158	-0.39	0.163	0.176	0.378	-0.195	-0.591	0.027	0.667	0.193	2358.661	82.187	-21.447	14.528	-14.843	-2.977	2.369	2.949	2.182	-0.195	-0.406	-6.112	0.688	4.645	0.699	-0.321	-2.285	-2.445	2.401	4.428	-2.706	-0.173	-0.388	-1.271	0.777	0.663	0.693	-0.078	-1.542	-0.336	2.115	0.554	3016.32	127.264	-26.047	14.492	-23.208	-0.438	5.317	1.27	0.904	1.682	0.733	-8.791	-0.71	6.841	2.767	-2.015	-3.483	-3.04	3.937	5.376	-3.839	-0.287	0.015	-1.651	0.873	0.503	1.351	0.011	-1.723	-1.178	2.559	1.521
ZINC03815026	861	42.73	-5.415	4.5	-7.089	-3.596	3.141	0.476	0.215	0.189	-0.388	-0.007	-0.486	0.153	1.41	0.571	-0.962	-1.874	0.759	2.363	-1.078	0.301	-1.279	-0.38	1.224	-0.066	-0.254	-0.506	-0.574	0.258	0.189	-0.001	487.621	18.943	-4.855	-0.757	-4.679	2.9	3.391	-1.092	-2.139	1.631	-0.513	2.116	-1.333	-0.867	1.881	0.335	0.432	-1.327	-0.564	1.64	-0.43	-0.162	-0.397	-0.499	0.693	-0.435	-0.259	-0.35	0.217	0.374	-0.515	-0.251	372.743	21.224	-2.709	0.457	-4.229	0.698	2.986	-1.039	-1.221	0.959	-0.056	0.872	-1.038	-0.651	1.528	-0.025	0.074	-1.232	0.033	1.36	-0.564	0.076	-0.657	-0.137	0.829	-0.433	-0.253	-0.039	-0.085	0.317	-0.302	-0.062	871.417	42.424	-5.95	4.608	-7.39	-3.234	3.57	0.357	-0.129	0.197	-0.142	0.191	-0.623	-0.07	1.588	0.556	-0.878	-1.864	0.509	2.444	-1.08	0.233	-1.197	-0.476	1.274	-0.085	-0.331	-0.483	-0.529	0.31	0.062	-0.016	418.688	22.658	-2.661	0.693	-4.343	-0.029	2.517	-0.585	-0.987	0.821	-0.176	0.549	-0.85	-0.309	1.34	0.097	-0.13	-1.254	0.231	1.387	-0.607	0.134	-0.751	-0.165	0.828	-0.378	-0.21	-0.123	-0.153	0.266	-0.162	-0.041	1081.481	51.94	-7.428	6.478	-8.472	-4.856	3.516	0.789	0.644	-0.056	-0.438	-0.025	-0.397	0.21	1.438	0.863	-1.251	-2.171	0.861	2.78	-1.282	0.34	-1.424	-0.499	1.32	0.12	-0.287	-0.693	-0.721	0.272	0.255	-0.008	2307.641	112.504	-17.655	10.386	-22.53	-2.14	15.264	-1.924	-4.333	2.215	0.07	3.84	-3.341	-3.177	6.588	0.817	-0.773	-5.302	-0.941	7.376	-2.548	0.038	-2.871	-1.786	4.158	-0.815	-1.497	-1.097	-0.965	1.635	-1.069	-0.27
ZINC03815051	1540	59.387	-15.232	14.136	-12.01	0.003	1.232	1.98	2.522	-0.491	-0.176	-4.282	0.061	4.113	-0.211	-0.553	-1.335	-1.775	2.159	2.364	-1.935	0.199	-0.802	-0.415	0.047	0.599	0.136	-0.174	-1.56	0.052	1.352	0.452	568.102	27.78	-7.026	1.161	-4.531	4.192	0.745	-1.599	-1.525	1.601	-0.455	-0.178	-0.972	0.788	0.685	-1.073	-0.329	-0.271	1.099	-0.281	-0.409	-0.095	0.314	-0.402	-0.355	-0.142	0.369	0.248	-0.493	-0.038	0.148	0.346	489.255	27.116	-5.205	1.796	-4.557	2.082	1.096	-0.935	-0.136	0.932	-0.039	-1.517	-0.463	1.536	0.403	-0.856	-0.629	-0.308	1.112	0.103	-0.765	0.196	0.088	-0.291	-0.193	0.186	0.248	-0.054	-0.573	-0.084	0.527	0.123	1529.949	59.815	-15.385	13.753	-11.955	0.139	1.335	1.762	2.202	-0.302	-0.017	-4.241	-0.019	3.946	-0.024	-0.557	-1.36	-1.71	2.05	2.298	-1.891	0.186	-0.651	-0.471	-0.004	0.532	0.205	-0.094	-1.479	-0.042	1.254	0.533	584.066	29.87	-5.968	3.136	-5.217	1.598	0.828	-0.187	0.147	0.663	-0.064	-1.92	-0.247	1.927	0.22	-0.82	-0.721	-0.474	1.289	0.322	-0.816	0.173	-0.121	-0.299	-0.078	0.311	0.188	-0.137	-0.7	0.004	0.679	0.097	2033.637	72.567	-20.793	20.078	-15.488	-0.19	1.342	2.529	3.702	-0.887	-0.196	-5.167	-0.169	5.065	-0.338	-0.354	-1.522	-2.44	2.406	3.402	-2.473	0.179	-0.932	-0.538	-0.027	0.655	0.203	-0.139	-1.843	0.019	1.524	0.713	3503.528	147.926	-42.228	29.673	-23.734	-2.726	6.491	2.049	-0.814	2.096	-0.549	-7.922	1.236	5.097	0.826	-0.278	-3.587	-2.331	3.464	2.985	-3.151	0.944	-0.769	-0.926	-0.765	0.014	1.693	0.61	-3.21	-0.324	1.698	1.811
ZINC03815044	741	33.042	-3.995	0.522	-6.275	-2.153	4.031	0.075	-0.59	-0.295	0.107	0.289	-0.114	-0.464	1.761	0.142	-0.213	-1.822	0.281	2.034	-0.327	-0.056	-1.068	-0.261	1.081	0.316	-0.227	-0.57	0.022	0.081	0.208	-0.112	406.916	23.479	-4.555	0.019	-4.734	1.147	5.031	-2.044	-2.412	1.108	0.249	1.708	-1.096	-1.624	2.008	0.323	0.769	-1.336	-0.442	1.227	-0.101	-0.018	-0.798	-0.097	0.898	-0.306	-0.483	-0.036	0.059	0.374	-0.162	-0.367	335.683	19.845	-2.563	0.036	-4.423	0.774	3.602	-1.323	-1.323	0.529	0.229	1.051	-0.899	-0.894	1.605	0.049	0.279	-1.187	-0.088	1.104	-0.203	-0.081	-0.703	0.066	0.693	-0.225	-0.293	-0.074	0.092	0.225	-0.193	-0.114	805.903	34.838	-5.437	0.84	-6.59	-2.432	4.741	-0.035	-1.223	-0.246	0.376	0.434	-0.209	-0.641	1.894	0.26	0.066	-1.92	0.141	2.125	-0.31	0.016	-1.111	-0.371	1.203	0.308	-0.319	-0.601	0.04	0.127	0.181	-0.197	329.322	19.463	-2.105	0.103	-4.287	0.397	3.111	-0.98	-0.894	0.364	0.172	0.718	-0.715	-0.609	1.44	0.007	0.04	-1.183	0.093	1.098	-0.246	-0.086	-0.717	0.098	0.666	-0.188	-0.221	-0.084	0.058	0.163	-0.137	-0.04	979.016	40.2	-6.439	1.133	-7.043	-3.537	4.743	0.447	-0.703	-0.553	0.159	0.186	0.153	-0.512	1.875	0.323	-0.117	-2.196	0.314	2.451	-0.357	0.027	-1.206	-0.508	1.29	0.576	-0.281	-0.803	0.011	0.065	0.344	-0.226	3407.228	156.771	-60.692	11.56	-12.601	-21.095	26.123	-0.669	-17.238	6.121	3.673	-0.953	2.452	-4.27	4.863	5.557	4.05	-9.797	2.399	5.997	-1.98	3.522	-5.905	-2.653	7.089	-1.522	-2.711	0.606	-1.833	0.547	2.466	-3.831
ZINC03815272	946	34.979	-5.054	0.083	-7.229	-2.34	3.365	0.739	0.207	-0.882	-0.812	0.166	-0.635	-0.429	2.194	-0.436	-0.511	-2.052	-0.154	2.679	-0.568	-0.678	-0.844	-0.349	1.275	0.519	-0.155	-0.765	-0.362	0.455	0.218	-0.016	389.367	23.602	-2.512	-0.267	-5.143	1.676	4.656	-2.266	-1.912	0.783	-0.094	1.762	-1.659	-1.794	2.376	-0.205	0.511	-1.326	-0.688	1.611	-0.331	-0.181	-0.723	0.002	1.212	-0.469	-0.353	-0.191	0.219	0.521	-0.495	-0.164	384.325	20.622	-2.097	0.33	-4.716	0.609	3.485	-1.224	-1.137	0.381	-0.151	0.987	-1.155	-0.981	1.861	-0.286	0.172	-1.262	-0.216	1.365	-0.298	-0.217	-0.709	0.016	0.961	-0.245	-0.287	-0.13	0.074	0.391	-0.31	-0.031	975.335	37.034	-5.626	0.379	-7.566	-2.138	3.927	0.653	-0.308	-0.937	-0.482	0.298	-0.908	-0.58	2.386	-0.45	-0.302	-2.097	-0.388	2.868	-0.629	-0.668	-0.836	-0.4	1.401	0.495	-0.209	-0.85	-0.232	0.484	0.083	-0.017	406.989	19.847	-1.984	0.562	-4.719	0.106	3.006	-0.766	-0.674	0.192	-0.297	0.66	-0.885	-0.674	1.691	-0.321	-0.023	-1.259	-0.029	1.316	-0.277	-0.244	-0.738	0.007	0.893	-0.129	-0.244	-0.134	-0.032	0.344	-0.18	0.018	1204.487	42.196	-7.442	0.184	-8.211	-3.492	3.548	1.322	0.539	-1.351	-1.036	0.103	-0.619	-0.428	2.404	-0.453	-0.606	-2.413	-0.377	3.294	-0.71	-0.898	-0.754	-0.573	1.366	0.872	-0.136	-1.078	-0.48	0.516	0.356	-0.073	2722.797	117.773	-15.135	3.221	-26.201	-0.773	17.797	-2.033	-5.18	-1.324	-0.221	3.709	-5.311	-4.354	9.566	-1.547	0.914	-6.215	-2.977	9.123	-1.741	-1.559	-3.053	-0.996	5.395	0.29	-1.171	-2.587	0.341	1.792	-1.016	-0.144
ZINC03815172	1953	30.948	-14.602	8.829	-12.311	-4.432	2.163	3.55	1.986	-0.757	-1.818	-4.201	0.326	4.351	-0.166	-0.254	-1.932	-2.36	1.989	3.311	-2.469	0.373	-0.994	-0.465	1.272	0.443	0.2	-0.309	-2.06	-0.414	1.782	0.704	571.831	17.596	-6.772	-0.278	-4.129	3.344	1.649	-1.16	-0.807	2.023	0.284	-0.307	-1.498	1.371	0.646	-1.228	-0.356	-0.617	1.349	-0.319	-1.073	-0.263	0.278	0.205	0.061	0.122	0.398	0.152	-0.567	-0.366	0.013	0.7	559.897	15.443	-5.048	0.512	-4.609	1.081	1.788	-0.691	-0.113	0.784	0.081	-1.492	-0.885	2.04	0.286	-0.931	-0.732	-0.642	1.213	0.226	-0.934	0.259	-0.137	-0.072	0.179	0.177	0.311	-0.175	-0.58	-0.293	0.533	0.365	1886.425	31.586	-14.897	8.538	-12.073	-4.061	2.288	3.354	1.586	-0.507	-1.382	-4.286	0.113	4.293	-0.061	-0.326	-1.869	-2.392	1.993	3.149	-2.468	0.387	-0.851	-0.521	1.201	0.395	0.195	-0.238	-1.911	-0.56	1.663	0.808	705.659	17.349	-5.794	1.727	-5.519	0.209	1.623	0.31	0.179	0.392	-0.181	-1.851	-0.56	2.338	0.115	-0.879	-0.899	-0.847	1.331	0.508	-1.004	0.272	-0.376	-0.095	0.383	0.297	0.291	-0.252	-0.777	-0.247	0.736	0.357	2599.095	36.918	-20.776	13.018	-15.369	-6.314	2.286	4.798	2.671	-1.032	-2.521	-5.177	0.502	5.162	-0.276	0.186	-2.238	-3.205	2.139	4.72	-3.259	0.433	-0.997	-0.768	1.611	0.426	0.16	-0.215	-2.603	-0.638	2.137	0.953	3295.028	63.251	-28.239	13.026	-23.846	-4.249	5.867	4.414	1.374	0.3	-0.793	-7.921	-1.278	7.749	1.276	-1.84	-3.522	-4.344	3.921	5.233	-4.707	0.277	-1.067	-0.854	1.985	0.599	0.61	-0.473	-2.836	-1.748	2.46	2.358
ZINC03815191	1711	52.413	-13.931	12.235	-10.944	-1.283	1.904	2.296	2.433	-0.42	-0.804	-4.153	-0.129	3.718	0.218	-0.397	-1.763	-1.754	2.129	2.479	-1.455	-0.075	-0.756	-0.06	0.171	0.755	0.393	-0.2	-1.107	-0.01	1.371	0.434	576.892	23.151	-6.109	1.775	-4.842	5.123	0.322	-1.964	-1.562	2.049	-0.271	-0.248	-1.433	1.354	0.939	-1.216	-0.461	-0.628	0.97	-0.054	-0.474	-0.228	0.529	0.053	-0.124	0.032	0.419	0.121	-0.326	-0.223	-0.076	0.244	514.492	23.863	-4.586	1.82	-4.482	2.19	1.205	-1.096	-0.121	1.12	0.042	-1.491	-0.773	1.749	0.551	-0.808	-0.769	-0.439	1.075	0.234	-0.653	0.134	0.045	-0.091	-0.075	0.202	0.317	-0.116	-0.388	-0.031	0.456	0.137	1690.328	53.578	-13.686	12.055	-10.905	-0.957	1.849	2.101	2.088	-0.111	-0.39	-4.255	-0.44	3.7	0.471	-0.519	-1.692	-1.815	2.005	2.466	-1.445	-0.134	-0.537	-0.101	0.116	0.685	0.353	-0.112	-0.968	-0.105	1.23	0.487	623.982	26.061	-5.431	3.097	-5.124	1.407	1.068	-0.271	0.207	0.76	-0.163	-1.831	-0.427	2.023	0.341	-0.761	-0.873	-0.514	1.242	0.377	-0.683	0.121	-0.179	-0.101	0.025	0.337	0.343	-0.195	-0.528	0.019	0.622	0.128	2271.165	64.614	-19.346	17.362	-13.733	-2.039	2.123	3.196	3.389	-0.758	-1.056	-5.062	-0.338	4.49	0.192	-0.176	-2.035	-2.389	2.373	3.536	-1.828	-0.169	-0.796	-0.074	0.08	0.913	0.469	-0.123	-1.272	-0.131	1.586	0.648	3544.775	120.843	-25.385	25.924	-23.614	2.753	2.025	3.512	0.322	3.719	1.434	-8.726	-4.137	6.899	4.284	-2.455	-2.56	-4.812	3.102	5.055	-2.443	-1.436	0.954	-0.612	0.077	0.804	-0.213	0.618	-0.954	-0.409	0.895	1.344
ZINC03815063	1711	52.759	-14.235	10.278	-10.07	-2.245	1.843	2.955	2.483	-0.901	0.255	-4.415	0.104	3.53	0.169	-0.597	-1.567	-2.456	2.068	2.305	-1.75	-0.043	-0.499	-0.478	1.272	0.183	0.461	-0.312	-1.351	0.053	1.233	0.708	576.892	27.125	-7.701	1.929	-4.814	3.606	2.32	-1.192	-1.256	1.638	-0.48	0.064	-1.83	1.2	0.769	-1.259	-0.318	-0.652	1.489	-0.066	-0.536	-0.087	0.355	-0.175	0.077	0.176	0.142	0.151	-0.305	0.055	0.172	0.386	514.492	24.873	-5.542	1.84	-4.254	1.548	1.772	-0.53	-0.264	0.626	0.269	-1.287	-1.026	1.758	0.436	-0.749	-0.638	-0.552	1.328	0.244	-0.727	0.203	0.015	-0.246	0.195	0.109	0.299	-0.133	-0.382	-0.092	0.471	0.311	1690.328	54.63	-14.724	10.084	-10.077	-2.172	2.117	2.663	2.251	-0.775	0.689	-4.473	-0.24	3.457	0.357	-0.689	-1.528	-2.459	2.05	2.267	-1.743	-0.088	-0.301	-0.495	1.161	0.108	0.393	-0.18	-1.215	-0.019	1.111	0.772	623.982	26.913	-5.83	2.995	-4.634	0.803	1.48	0.367	0.032	0.321	0.059	-1.685	-0.673	2.055	0.202	-0.72	-0.772	-0.71	1.411	0.422	-0.776	0.231	-0.184	-0.29	0.41	0.215	0.324	-0.276	-0.539	-0.027	0.622	0.312	2271.165	64.644	-19.665	14.396	-12.837	-3.256	1.821	3.793	3.691	-1.28	0.444	-5.582	0.154	4.118	0.277	-0.528	-1.798	-3.348	2.23	3.23	-2.223	-0.205	-0.392	-0.632	1.554	0.109	0.52	-0.195	-1.643	0.012	1.392	0.919	3572.605	137.019	-38.816	20.427	-22.66	-3.593	8.667	1.573	4.384	-1.463	5.421	-8.45	-3.898	6.189	2.225	-2.095	-2.835	-5.077	4.235	4.118	-2.884	-1.452	1.287	-0.641	1.306	0.015	-0.367	0.965	-1.335	-0.118	1.331	1.886
ZINC03815387	861	31.015	-4.285	1.811	-6.391	-1.853	4.403	0.868	-0.34	-0.14	-0.4	0.004	-0.642	-0.14	2.284	-0.31	-0.47	-2.053	0.575	2.837	-0.903	-0.177	-1.11	-0.003	1.308	0.164	-0.068	-0.635	-0.304	0.573	-0.024	-0.218	411.247	19.788	-3.354	-0.286	-4.452	2.241	3.762	-1.759	-1.149	0.837	0.234	1.771	-1.65	-1.557	2.341	-0.202	0.485	-1.291	-0.038	1.838	-0.703	-0.079	-0.65	0.076	0.91	-0.513	-0.288	-0.023	0.172	0.6	-0.604	-0.321	390.219	17.387	-2.83	0.002	-4.486	0.933	3.462	-1.063	-0.974	0.552	0.252	1.008	-1.355	-0.771	1.887	-0.265	0.11	-1.271	0.215	1.653	-0.598	-0.089	-0.751	0.166	0.887	-0.41	-0.22	-0.003	0.06	0.457	-0.418	-0.194	869.933	31.537	-4.537	1.981	-6.641	-1.75	4.754	0.763	-0.672	-0.123	-0.151	0.202	-0.865	-0.251	2.441	-0.355	-0.339	-2.044	0.446	2.9	-0.932	-0.148	-1.082	-0.061	1.369	0.126	-0.12	-0.644	-0.232	0.622	-0.142	-0.235	434.231	18.627	-3.017	0.433	-4.634	0.576	3.128	-0.691	-0.628	0.391	0.124	0.692	-1.169	-0.591	1.85	-0.26	-0.013	-1.327	0.348	1.744	-0.659	-0.112	-0.792	0.149	0.867	-0.302	-0.16	-0.087	-0.016	0.422	-0.304	-0.178	1066.038	36.959	-5.327	2.685	-6.975	-2.897	5.057	1.481	-0.232	-0.383	-0.64	-0.094	-0.467	-0.103	2.526	-0.323	-0.579	-2.394	0.613	3.333	-1.051	-0.161	-1.155	-0.116	1.471	0.385	-0.027	-0.905	-0.379	0.683	0.039	-0.268	2594.406	92.039	-9.394	3.417	-22.991	-3.113	19.093	-0.144	-4.743	-0.193	-0.49	3.448	-4.148	-2.125	8.476	-1.927	0.14	-5.2	0.55	8.764	-2.742	-0.638	-3.284	0.146	4.952	-0.845	-1.012	-1.365	0.117	2.728	-1.825	-1.061
ZINC03815218	666	31.441	-3.471	2.431	-5.567	-2.034	3.743	0.191	-0.615	0.228	-0.169	0.677	-0.423	0.027	0.699	0.451	-0.714	-1.313	0.045	1.383	-0.373	0.137	-0.809	-0.272	0.895	-0.146	0.008	-0.204	-0.015	-0.052	0.063	0.054	524.591	18.968	-5.236	-0.428	-5.397	2.731	3.586	-0.569	-2.607	0.978	-0.96	2.267	-0.657	-0.787	0.918	0.436	0.159	-0.649	-0.431	0.992	-0.069	0	-0.092	-0.317	0.446	-0.368	-0.113	-0.286	0.478	-0.01	-0.348	-0.254	336.603	19.289	-2.588	0.498	-4.055	0.92	3.153	-0.932	-1.406	0.586	-0.132	1.101	-0.863	-0.563	0.893	0.18	0.001	-0.838	-0.094	0.846	-0.28	-0.011	-0.448	0.002	0.58	-0.309	-0.125	-0.01	0.198	0.114	-0.244	-0.039	711.686	32.756	-4.091	2.697	-6.222	-1.749	4.082	0.155	-0.856	0.326	-0.32	0.962	-0.408	-0.176	0.73	0.449	-0.638	-1.193	-0.1	1.398	-0.348	0.194	-0.758	-0.326	0.893	-0.165	0.008	-0.19	0.008	-0.054	0.038	0.056	347.192	19.556	-2.423	0.466	-3.776	0.408	2.835	-0.622	-1.194	0.497	-0.042	0.838	-0.804	-0.264	0.805	0.242	-0.159	-0.911	-0.003	0.898	-0.304	-0.025	-0.515	-0.011	0.585	-0.286	-0.112	-0.055	0.16	0.09	-0.211	-0.034	842.541	37.769	-4.64	3.723	-6.929	-2.832	4.266	0.504	-0.379	0.122	-0.216	0.803	-0.333	0.047	0.7	0.584	-0.91	-1.441	-0.069	1.635	-0.379	0.217	-0.87	-0.455	0.973	-0.087	0.057	-0.299	-0.056	-0.116	0.122	0.087	2920.881	117.19	-27.453	14.493	-22.847	-4.855	17.018	0.224	-8.045	4.226	-5.803	6.307	1.072	-3.908	1.633	0.903	-0.653	-2.041	-1.3	3.617	-1.765	2.17	-1.227	-1.497	3.25	-1.248	-0.141	0.499	0.303	-0.618	0.396	0.198
ZINC03815090	1953	68.289	-17.115	13.976	-11.421	-3.966	0.911	3.255	2.397	0.679	-2.022	-4.794	1.225	4.286	-0.057	-0.317	-1.986	-1.88	2.234	2.665	-2.228	0.568	-0.729	-0.562	0.722	0.839	0.582	-0.085	-1.708	-0.417	2.175	0.094	571.831	26.075	-7.4	-0.351	-4.636	3.523	0.25	-1.49	-1.016	1.934	-0.373	-0.415	-1.328	1.811	0.8	-1.176	-0.513	-0.397	1.362	-0.211	-0.693	-0.006	0.346	-0.182	-0.307	0.196	0.432	0.265	-0.435	-0.298	-0.179	0.291	559.897	28.16	-5.704	1.18	-4.431	1.047	0.938	-0.718	-0.134	1.187	-0.182	-1.781	-0.613	2.153	0.396	-0.895	-0.801	-0.39	1.306	0.171	-0.919	0.255	-0.107	-0.183	-0.064	0.302	0.387	-0.038	-0.524	-0.174	0.591	0.16	1886.425	67.995	-17.018	13.276	-11.259	-3.525	1.039	2.945	2.027	0.867	-1.615	-4.88	0.974	4.231	0.089	-0.375	-1.934	-1.876	2.185	2.555	-2.231	0.56	-0.635	-0.613	0.645	0.807	0.579	0.033	-1.577	-0.55	2.012	0.165	705.659	32.088	-6.643	2.715	-5.153	0.127	0.679	0.257	0.205	0.912	-0.453	-2.147	-0.204	2.491	0.227	-0.845	-0.918	-0.566	1.425	0.412	-0.944	0.289	-0.284	-0.239	0.111	0.432	0.395	-0.134	-0.691	-0.126	0.82	0.098	2599.095	85.425	-23.863	20.308	-14.467	-5.365	0.875	4.171	3.408	0.837	-2.721	-5.875	1.63	4.988	-0.144	0.056	-2.373	-2.549	2.439	3.738	-2.896	0.744	-0.696	-0.838	0.881	1.004	0.71	0.099	-2.085	-0.719	2.671	0.131	3294.778	130.188	-31.517	20.822	-22.389	-3.314	3.547	2.61	2.006	2.799	-1.681	-9.094	0.155	7.975	1.588	-1.732	-3.754	-3.243	4.096	4.458	-4.268	0.592	-0.715	-1.344	0.861	1.446	1.147	0.571	-2.457	-1.608	2.726	0.917
ZINC04617771	1711	55.105	-15.831	11.381	-10.922	-2.177	2.277	2.441	2.219	-0.467	-0.016	-4.278	1.292	4.105	0.606	-0.515	-1.498	-2.199	1.961	2.323	-1.947	-0.051	-0.342	-0.707	0.873	0.322	-0.041	-0.011	-1.179	0.063	1.304	0.337	576.892	23.799	-6.954	1.962	-5.486	3.718	1.881	-1.662	-0.896	1.901	0.199	-0.226	-1.481	1.798	1.106	-0.664	-0.146	-0.822	0.851	-0.062	-0.732	-0.402	0.267	-0.256	-0.215	-0.089	0.074	0.204	-0.208	0.102	0.15	0.249	514.492	24.69	-5.541	1.88	-4.741	1.68	1.659	-0.93	-0.07	0.845	0.259	-1.531	-0.649	2.076	0.668	-0.572	-0.618	-0.579	1.143	0.168	-0.829	0.051	-0.019	-0.168	0.003	0.115	0.178	-0.03	-0.366	0.038	0.489	0.13	1690.328	56.801	-15.654	11.102	-10.921	-1.918	2.294	2.29	1.965	-0.34	0.413	-4.413	0.974	4.058	0.84	-0.5	-1.459	-2.205	1.839	2.314	-1.918	-0.129	-0.197	-0.731	0.768	0.28	-0.085	0.074	-1.078	-0.013	1.176	0.373	623.982	26.711	-6.305	3.182	-5.237	0.886	1.428	-0.104	0.229	0.554	0.119	-1.851	-0.238	2.348	0.482	-0.6	-0.729	-0.726	1.284	0.308	-0.889	0.086	-0.207	-0.228	0.15	0.2	0.167	-0.131	-0.491	0.1	0.651	0.106	2271.165	68.445	-21.561	15.732	-13.725	-3.226	2.503	3.346	3.092	-0.737	0.124	-5.271	1.753	4.925	0.734	-0.382	-1.655	-2.962	2.099	3.34	-2.443	-0.119	-0.144	-1.033	1.052	0.314	-0.161	0.133	-1.387	-0.032	1.477	0.508	3572.605	137.123	-32.128	24.278	-26.553	-1.191	5.731	1.78	3.932	-0.677	4.186	-9.929	-0.723	7.52	3.912	-0.315	-3.062	-4.153	1.913	5.101	-3.277	-2.015	1.327	-1.946	1.06	0.307	-0.89	1.319	-1.926	-0.127	1.282	0.678
ZINC03815333	946	40.971	-4.61	1.937	-6.886	-2.13	3.061	0.578	-0.06	-0.166	-0.387	0.439	-0.457	-0.588	2.603	-0.574	-0.239	-1.926	0.073	2.902	-0.548	-0.445	-0.991	-0.309	1.111	0.752	-0.224	-0.819	-0.223	0.369	0.332	0.074	389.367	23.803	-2.775	-0.025	-5.064	2.304	4.826	-2.15	-1.855	1.245	0.167	2.065	-1.656	-1.735	2.43	-0.207	0.616	-1.242	-0.602	1.668	-0.36	-0.15	-0.67	-0.039	1.131	-0.436	-0.398	-0.006	0.095	0.543	-0.563	-0.091	384.325	21.306	-2.393	0.617	-4.705	0.921	3.414	-1.218	-1.164	0.751	0.035	1.222	-1.121	-0.966	1.985	-0.303	0.306	-1.263	-0.155	1.472	-0.337	-0.102	-0.762	0.032	0.901	-0.223	-0.285	-0.048	-0.012	0.372	-0.308	0.013	975.335	42.572	-5.265	2.334	-7.273	-1.942	3.801	0.614	-0.633	-0.153	0.081	0.595	-0.771	-0.726	2.825	-0.628	-0.05	-1.886	-0.162	3.054	-0.614	-0.425	-0.937	-0.429	1.238	0.741	-0.32	-0.878	-0.104	0.425	0.155	0.096	406.989	21.057	-2.267	0.884	-4.762	0.327	2.811	-0.846	-0.712	0.536	-0.143	0.872	-0.82	-0.681	1.836	-0.33	0.119	-1.29	0.036	1.45	-0.31	-0.11	-0.831	0.057	0.834	-0.105	-0.223	-0.091	-0.103	0.313	-0.145	0.048	1204.487	50.587	-6.568	2.943	-7.438	-3.203	3.311	1.234	0.141	-0.462	-0.461	0.42	-0.362	-0.678	2.934	-0.643	-0.253	-2.166	-0.057	3.541	-0.677	-0.602	-0.926	-0.554	1.18	1.198	-0.253	-1.172	-0.217	0.414	0.495	0.04	2722.797	127.151	-15.732	7.613	-26.183	0.729	18.212	-1.323	-5.879	1.278	2.032	4.947	-5.056	-4.369	10.573	-2.065	1.533	-5.226	-2.386	9.339	-1.743	-1.043	-2.842	-1.536	4.878	0.991	-1.615	-2.26	0.19	1.973	-1.189	0.436
ZINC03815237	1953	56.519	-14.881	9.189	-11.064	-2.705	1.274	2.72	1.551	-0.212	-0.967	-5.292	0.633	3.894	0.608	-0.92	-1.976	-1.845	2.34	3.202	-2.438	0.066	-1.081	-0.761	0.868	0.522	0.746	-0.473	-1.228	-0.242	1.792	0.374	571.831	23.64	-5.747	0.832	-4.914	5.045	0.898	-1.87	-1.617	1.896	0.02	-0.401	-1.283	1.07	1.033	-1.295	-0.405	-0.496	1.154	-0.124	-0.803	-0.131	0.248	-0.028	-0.222	-0.314	0.619	0.199	-0.425	-0.151	0.087	0.418	559.897	24.582	-4.75	0.985	-4.886	1.896	1.222	-0.962	-0.343	0.926	0.075	-1.79	-0.702	1.8	0.681	-1.039	-0.688	-0.447	1.143	0.371	-1.007	0.117	-0.104	-0.199	0.073	-0.001	0.47	-0.147	-0.454	-0.084	0.495	0.222	1886.425	57.013	-14.751	8.646	-10.936	-2.31	1.389	2.481	1.166	-0.002	-0.551	-5.307	0.418	3.826	0.73	-0.93	-1.92	-1.858	2.315	3.101	-2.458	0.094	-0.922	-0.771	0.803	0.442	0.715	-0.342	-1.149	-0.362	1.711	0.44	705.659	27.457	-5.461	2.34	-5.624	1.067	1.049	-0.05	-0.081	0.613	-0.148	-2.206	-0.369	2.137	0.546	-1.051	-0.842	-0.582	1.282	0.626	-1.05	0.076	-0.337	-0.266	0.243	0.149	0.491	-0.271	-0.564	-0.023	0.686	0.195	2599.095	70.63	-20.994	12.968	-13.475	-4.171	1.336	3.61	2.141	-0.276	-1.191	-6.612	0.821	4.554	0.673	-0.716	-2.326	-2.565	2.735	4.496	-3.204	0.133	-1.194	-1.089	1.035	0.627	0.901	-0.418	-1.433	-0.475	2.228	0.49	3295.028	112.27	-25.229	14.152	-22.538	-0.386	3.807	2.268	0.657	1.242	-0.017	-9.471	-0.834	7.212	2.754	-2.676	-3.719	-3.285	4.362	5.407	-4.699	-0.102	-0.962	-1.129	1.219	0.266	1.556	-0.206	-1.91	-1.269	2.668	1.513
ZINC04617779	1711	56.029	-16.25	11.67	-11.865	0.226	1.72	2.316	2.031	-0.329	-0.039	-5.078	0.404	3.979	0.49	-0.768	-1.298	-1.84	2.215	2.239	-1.29	-0.048	-0.522	-0.669	0.718	0.615	0.375	-0.153	-1.485	0.176	1.217	0.207	576.892	23.963	-7.642	1.161	-5.099	4.73	0.723	-2.024	-1.214	2.046	0.193	-0.099	-1.269	1.165	1.007	-1.232	-0.461	-0.368	0.885	-0.18	-0.308	-0.397	0.467	0.083	-0.016	0.242	0.464	0.162	-0.458	-0.131	-0.065	0.203	514.492	25.187	-5.851	1.747	-4.618	2.47	1.364	-1.074	-0.143	1.133	0.195	-1.585	-0.692	1.733	0.628	-0.876	-0.723	-0.342	1.051	0.103	-0.557	0.023	0.107	-0.142	0.056	0.281	0.281	-0.084	-0.493	0.007	0.413	0.078	1690.328	57.118	-16.165	11.041	-11.864	0.259	1.811	2.066	1.784	-0.234	0.337	-5.058	0.127	3.89	0.719	-0.773	-1.301	-1.782	2.051	2.218	-1.241	-0.116	-0.308	-0.645	0.665	0.588	0.384	-0.068	-1.373	0.107	1.087	0.271	623.982	27.516	-6.72	3.21	-5.252	1.99	1.132	-0.255	0.133	0.88	0.048	-1.982	-0.333	2.075	0.429	-0.873	-0.814	-0.492	1.226	0.251	-0.574	0.051	-0.095	-0.233	0.2	0.383	0.286	-0.163	-0.653	0.059	0.569	0.051	2271.165	68.931	-21.897	16.204	-15.142	-0.172	1.873	3.2	2.873	-0.714	0.025	-6.33	0.404	4.855	0.566	-0.699	-1.3	-2.551	2.515	3.224	-1.656	-0.078	-0.493	-0.91	0.822	0.667	0.51	-0.068	-1.79	0.121	1.401	0.332	3572.605	130.711	-35.107	19.402	-28.107	0.468	4.834	0.945	2.963	-1.524	3.836	-10.013	-2.037	6.645	3.939	-1.253	-3.439	-2.235	2.152	5.01	-1.627	-1.901	1.668	-1.255	1.478	1.227	0.58	0.626	-2.315	0.62	0.653	0.978
ZINC03815175	1953	71.418	-16.621	15.249	-12.765	-0.63	0.605	2.912	2.189	-0.442	-1.09	-4.887	0.376	4.05	0.015	-0.549	-1.997	-2.155	2.347	3.102	-1.955	-0.149	-0.465	-0.711	0.554	0.787	0.334	-0.128	-1.797	-0.053	1.784	0.277	571.831	27.658	-7.042	1.102	-4.55	4.821	0.812	-2.168	-1.262	1.961	-0.427	-0.443	-1.072	1.062	0.771	-1.052	-0.508	-0.647	1.399	-0.139	-0.541	-0.14	0.346	-0.399	-0.342	-0.139	0.149	0.132	-0.441	-0.034	0.034	0.417	559.897	29.542	-5.495	1.985	-4.792	2.026	1.019	-0.923	-0.155	0.907	-0.066	-1.75	-0.635	1.714	0.496	-0.911	-0.816	-0.573	1.24	0.308	-0.807	0.08	0.016	-0.341	-0.095	0.149	0.22	-0.096	-0.574	-0.079	0.542	0.151	1886.425	70.962	-16.493	14.371	-12.486	-0.422	0.766	2.621	1.968	-0.223	-0.761	-4.939	0.202	3.977	0.194	-0.572	-1.964	-2.138	2.315	2.985	-1.933	-0.129	-0.331	-0.773	0.475	0.715	0.335	-0.039	-1.678	-0.177	1.684	0.347	705.659	33.817	-6.387	3.669	-5.643	1.368	0.736	-0.034	0.1	0.571	-0.233	-2.145	-0.306	2.036	0.316	-0.874	-0.944	-0.724	1.359	0.583	-0.848	0.049	-0.17	-0.389	0.073	0.301	0.177	-0.187	-0.749	0.007	0.735	0.113	2599.095	89.164	-23.149	21.587	-16.201	-1.081	0.536	3.855	3.22	-0.602	-1.457	-6.018	0.409	4.898	-0.089	-0.272	-2.36	-2.91	2.716	4.333	-2.513	-0.209	-0.327	-0.967	0.628	0.951	0.467	0.03	-2.178	-0.191	2.147	0.422	3294.778	134.928	-29.846	22.061	-24.033	1.592	3.37	2.345	2.646	1.05	-0.56	-8.929	-0.894	7.27	2.04	-1.918	-3.849	-3.762	4.388	5.106	-3.597	-0.522	0.127	-1.705	0.4	0.916	0.671	0.238	-2.657	-0.979	2.598	1.254
ZINC03815096	1485	55.302	-13.967	13.216	-11.324	0.533	0.909	1.505	1.888	0.043	-0.036	-4.242	-0.167	3.849	0.165	-0.576	-1.195	-1.561	1.772	2.369	-1.799	-0.069	-0.35	-0.453	0.494	0.517	0.162	-0.149	-1.232	-0.021	1.106	0.283	633.17	30.917	-7.138	0.319	-4.771	6.942	0.361	-2.405	-0.642	1.852	0.229	-0.252	-1.06	1.203	1.151	-0.586	-0.296	-0.554	1.109	-0.044	-0.752	-0.338	0.501	-0.233	-0.334	-0.239	0.202	0.241	-0.304	-0.397	-0.093	0.603	477.945	25.834	-5.183	1.7	-4.267	2.726	0.783	-1.101	-0.021	0.938	0.165	-1.492	-0.578	1.543	0.582	-0.674	-0.543	-0.4	0.924	0.216	-0.775	0.059	0.175	-0.268	-0.067	0.112	0.211	-0.062	-0.431	-0.105	0.381	0.181	1500.04	56.509	-14.266	12.992	-11.58	1.126	1.02	1.156	1.789	0.21	0.217	-4.234	-0.393	3.785	0.444	-0.575	-1.107	-1.616	1.747	2.25	-1.807	-0.101	-0.186	-0.43	0.42	0.448	0.171	-0.102	-1.098	-0.167	1.027	0.376	574.089	28.866	-5.9	3.006	-4.721	2.145	0.484	-0.315	0.091	0.806	0.054	-1.778	-0.29	1.818	0.421	-0.657	-0.639	-0.506	1.029	0.441	-0.836	0.05	0.025	-0.356	0.079	0.233	0.155	-0.115	-0.572	-0.032	0.509	0.125	1965.403	67.441	-18.967	18.823	-14.823	0.341	0.995	2.015	2.836	-0.104	-0.022	-5.186	-0.4	4.696	0.168	-0.469	-1.334	-2.119	1.989	3.328	-2.322	-0.104	-0.345	-0.549	0.565	0.611	0.229	-0.112	-1.413	-0.12	1.247	0.411	3725.423	136.086	-48.329	41.08	-33.448	9.377	6.247	-5.943	7.555	-2.169	2.748	-7.028	-5.435	9.718	1.589	-0.13	-0.85	-5.105	5.188	1.262	-2.831	-0.481	0.23	1.07	-0.968	1.206	0.172	-0.884	-0.126	-2.194	2.138	1.577
ZINC03815358	703	26.381	-3.722	1.087	-6.445	-1.553	3.729	0.578	-0.799	-0.077	0.397	0.046	-0.916	-0.366	2.275	-0.317	-0.116	-1.68	0.439	2.49	-0.66	-0.014	-0.998	-0.1	1.186	-0.01	-0.047	-0.383	-0.148	0.378	-0.044	-0.155	425.279	21.586	-2.852	-0.069	-5.244	2.331	3.904	-1.708	-1.174	1.261	0.265	1.692	-1.857	-1.297	2.087	-0.217	0.663	-1.249	-0.349	1.967	-0.642	0.116	-0.721	0.029	1.189	-0.741	-0.24	0.141	0.104	0.477	-0.455	-0.389	349.247	16.933	-2.432	-0.21	-4.569	0.923	3.3	-1.232	-0.957	0.677	0.415	0.998	-1.416	-0.794	1.77	-0.214	0.303	-1.181	0.114	1.625	-0.537	0.019	-0.71	0.137	0.906	-0.521	-0.214	0.071	0.033	0.362	-0.388	-0.183	743.923	28.182	-4.076	1.388	-7	-1.456	4.129	0.544	-1.109	0.01	0.557	0.22	-1.19	-0.479	2.438	-0.363	0.016	-1.695	0.275	2.597	-0.713	0.016	-0.983	-0.174	1.302	-0.038	-0.104	-0.387	-0.09	0.434	-0.147	-0.204	360.817	16.282	-2.439	0.016	-4.522	0.593	2.916	-0.909	-0.683	0.492	0.45	0.646	-1.168	-0.582	1.649	-0.212	0.164	-1.181	0.255	1.626	-0.533	0.017	-0.748	0.147	0.851	-0.444	-0.158	0.03	-0.016	0.295	-0.276	-0.121	886.858	31.554	-4.829	1.965	-7.435	-2.527	4.269	1.237	-0.944	-0.316	0.348	-0.099	-0.9	-0.37	2.617	-0.361	-0.161	-1.906	0.42	2.901	-0.739	0	-1.038	-0.261	1.339	0.189	0.006	-0.567	-0.182	0.455	0.02	-0.218	2856.633	110.475	-7.888	4.154	-29.329	-1.729	18.991	1.407	-6.135	2.089	-1.387	4.35	-6.081	-2.573	8.787	-1.982	1.605	-4.543	-0.974	8.521	-3.109	-0.033	-3.084	-0.531	5.806	-1.387	-0.985	-0.812	0.612	2.314	-1.3	-1.979
ZINC03815126	1711	59.053	-13.653	11.898	-10.107	-3.028	1.593	3.317	1.618	-0.394	0.144	-4.333	1.392	3.609	0.316	0.022	-1.961	-1.997	2.241	2.299	-1.767	0.299	-0.58	-0.617	0.792	0.401	0.243	0.018	-1.268	-0.117	1.169	0.447	576.892	20.814	-7.865	0.76	-5.455	3.3	1.324	-1.395	-1.641	1.664	-0.316	-0.261	-1.767	1.275	0.607	-0.686	-0.397	-0.563	1.278	-0.025	-0.347	-0.186	0.206	-0.221	-0.191	0.012	0.232	0.346	-0.056	0.009	0.112	0.304	514.492	26.001	-5.411	2.109	-4.201	1.348	1.443	-0.456	-0.432	0.802	0.097	-1.41	-0.657	1.717	0.45	-0.521	-0.791	-0.425	1.274	0.165	-0.619	0.159	-0.065	-0.184	0.009	0.099	0.179	0.005	-0.293	-0.077	0.464	0.151	1690.328	59.669	-14.035	11.708	-10.247	-2.827	1.678	3.154	1.379	-0.335	0.448	-4.416	0.972	3.613	0.448	0.036	-1.968	-1.922	2.098	2.283	-1.751	0.263	-0.396	-0.647	0.73	0.324	0.213	0.124	-1.146	-0.146	1.023	0.508	623.982	28.418	-5.904	3.248	-4.648	0.558	1.321	0.368	-0.194	0.607	0.004	-1.725	-0.15	1.97	0.309	-0.496	-0.888	-0.6	1.458	0.292	-0.677	0.183	-0.233	-0.242	0.162	0.227	0.173	-0.069	-0.437	-0.033	0.622	0.16	2271.165	72.487	-18.871	16.54	-12.996	-4.36	1.525	4.292	2.403	-0.733	0.373	-5.407	1.725	4.356	0.321	0.351	-2.313	-2.701	2.4	3.274	-2.324	0.36	-0.528	-0.882	0.941	0.435	0.333	0.179	-1.557	-0.21	1.272	0.652	3572.605	132.404	-32.649	26.487	-25.522	-2.589	3.935	4.421	2.778	-1.694	2.695	-9.605	-1.82	7.073	1.992	0.854	-5.022	-2.44	2.353	5.351	-3.022	-0.416	1.044	-1.641	1.356	0.026	-0.097	1.362	-1.613	0.063	0.757	1.182
ZINC03815404	780	29.511	-3.887	1.353	-6.816	-2.459	3.966	0.386	-0.727	-0.444	0.253	0.22	-0.593	-0.152	1.987	-0.241	-0.327	-1.705	0.784	2.401	-0.723	0.096	-1.078	0.017	1.073	-0.061	0.026	-0.479	-0.068	0.212	-0.052	-0.114	410.188	21.137	-2.749	-0.651	-5.179	1.172	4.284	-1.708	-1.567	0.936	-0.016	1.857	-1.421	-1.256	2.001	-0.229	0.467	-1.049	0.116	1.461	-0.578	0.019	-0.625	0.281	0.829	-0.7	-0.341	0.181	0.188	0.347	-0.636	-0.3	368.638	17.707	-2.481	-0.24	-4.599	0.492	3.415	-1.268	-1.078	0.587	0.273	1.102	-1.282	-0.706	1.727	-0.2	0.167	-1.137	0.31	1.453	-0.524	-0.011	-0.711	0.255	0.767	-0.514	-0.232	0.042	0.089	0.27	-0.415	-0.149	824.596	31.683	-4.305	1.64	-7.387	-2.562	4.385	0.404	-1.056	-0.486	0.368	0.441	-0.721	-0.256	2.076	-0.289	-0.201	-1.664	0.713	2.443	-0.785	0.152	-1.033	-0.002	1.109	-0.113	-0.025	-0.477	0.015	0.228	-0.191	-0.155	370.992	16.964	-2.34	-0.089	-4.498	0.135	3.109	-1	-0.841	0.418	0.321	0.764	-1.128	-0.485	1.618	-0.175	0.018	-1.183	0.413	1.474	-0.51	-0.018	-0.776	0.23	0.766	-0.435	-0.172	-0.019	0.014	0.236	-0.294	-0.092	982.845	35.537	-5.057	2.327	-7.945	-3.681	4.553	0.972	-0.762	-0.898	0.205	0.148	-0.383	-0.1	2.15	-0.264	-0.392	-1.918	0.899	2.803	-0.845	0.192	-1.121	-0.107	1.171	0.097	0.14	-0.687	-0.073	0.224	-0.012	-0.15	3261.299	131.662	-17.648	5.568	-29.007	-12.548	19.345	2.629	-7.585	-0.682	-2.305	3.755	-1.094	-1.963	6.314	-1.656	0.922	-4.477	2.955	7.047	-3.658	0.993	-3.605	0.727	4.256	-2.001	-1.447	-0.657	0.745	1.025	-1.802	-2.235
ZINC03815401	1035	38.858	-4.33	1.554	-7.413	-2.604	3.873	1.035	-0.625	-0.432	-0.619	-0.068	-0.812	0.317	2.047	-0.439	-0.514	-2.438	0.876	3.208	-1.082	-0.192	-1.209	0.011	1.614	0.159	-0.012	-0.694	-0.233	0.316	0.029	0.06	406.293	20.339	-2.84	-0.695	-4.864	1.888	4.384	-2.05	-1.681	1.167	0.259	1.981	-1.91	-1.191	2.181	-0.3	0.421	-1.431	0.006	1.75	-0.638	-0.11	-0.729	0.154	1.123	-0.746	-0.258	0.173	0.085	0.599	-0.75	-0.15	429.571	19.74	-2.644	0.011	-4.942	0.759	3.538	-1.237	-1.159	0.674	0.202	1.099	-1.503	-0.559	1.81	-0.33	0.107	-1.432	0.321	1.705	-0.62	-0.119	-0.818	0.198	1.041	-0.502	-0.187	0.062	0.013	0.4	-0.499	-0.033	1040.693	39.488	-4.752	1.715	-7.58	-2.493	4.283	0.948	-1.026	-0.43	-0.26	0.124	-1.061	0.206	2.175	-0.473	-0.384	-2.436	0.724	3.264	-1.124	-0.173	-1.172	-0.068	1.684	0.122	-0.097	-0.673	-0.153	0.369	-0.096	0.049	468.776	20.325	-2.498	0.307	-5.138	0.235	3.202	-0.827	-0.854	0.448	0.056	0.708	-1.267	-0.287	1.687	-0.34	-0.058	-1.472	0.475	1.757	-0.618	-0.134	-0.898	0.219	1.047	-0.385	-0.136	-0.022	-0.054	0.329	-0.363	0.012	1308.805	47.851	-6.033	2.391	-8.087	-3.976	4.378	1.818	-0.693	-0.765	-0.872	-0.222	-0.683	0.449	2.191	-0.445	-0.605	-2.931	0.971	3.894	-1.349	-0.179	-1.221	-0.157	1.851	0.386	0.035	-0.984	-0.264	0.333	0.134	0.047	2981.965	110.838	-8.832	3.026	-25.85	-4.039	18.899	0.632	-5.442	-0.265	-0.164	3.838	-4.704	-1.059	7.746	-2.399	0.006	-6.364	0.982	9.284	-3.182	-0.828	-3.495	0.095	5.626	-0.912	-0.91	-1.1	0.123	2.27	-1.802	-0.276
ZINC03815108	2145	72.135	-19.243	15.495	-11.825	-3.211	1.452	3.258	2.246	0.736	-1.725	-4.697	1.245	4.806	-0.163	-0.258	-2.12	-2.056	2.328	2.88	-2.446	0.534	-1.125	-0.349	0.756	0.878	0.522	-0.218	-1.613	-0.156	2.199	0.202	612.715	27.676	-7.521	-0.39	-4.647	4.134	0.707	-1.253	-0.932	2.06	-0.176	-0.233	-1.328	2.076	0.848	-1.224	-0.538	-0.341	1.42	-0.239	-0.816	-0.046	0.259	-0.138	-0.211	0.206	0.357	0.264	-0.281	-0.172	-0.021	0.369	612.169	29.438	-6.189	1.201	-4.589	1.454	1.051	-0.653	-0.131	1.24	-0.111	-1.791	-0.63	2.39	0.42	-0.899	-0.823	-0.413	1.393	0.176	-0.995	0.275	-0.178	-0.159	-0.024	0.31	0.388	-0.049	-0.462	-0.106	0.647	0.166	2067.746	71.68	-19.088	14.602	-11.664	-2.803	1.603	2.921	1.856	0.946	-1.292	-4.774	0.989	4.734	0.01	-0.314	-2.037	-2.03	2.295	2.785	-2.454	0.511	-0.99	-0.425	0.692	0.842	0.512	-0.105	-1.481	-0.284	2.039	0.268	773.41	33.779	-7.237	2.857	-5.333	0.603	0.847	0.354	0.203	0.966	-0.361	-2.176	-0.222	2.752	0.249	-0.867	-0.987	-0.609	1.507	0.423	-1.032	0.316	-0.401	-0.189	0.162	0.434	0.388	-0.151	-0.618	-0.042	0.885	0.111	2851.193	90.225	-26.815	22.427	-15.002	-4.457	1.655	4.045	3.149	0.92	-2.248	-5.635	1.615	5.638	-0.33	0.185	-2.496	-2.797	2.528	4.069	-3.191	0.647	-1.218	-0.55	0.891	1.071	0.6	-0.106	-1.964	-0.34	2.645	0.312	3585.486	136.934	-35.37	22.288	-22.982	-2.034	4.624	2.905	1.576	3.028	-1.039	-8.958	-0.027	8.905	1.59	-1.642	-3.876	-3.394	4.39	4.952	-4.789	0.456	-1.203	-1.09	1.096	1.463	1.032	0.298	-2.208	-1.113	2.882	1.077
ZINC03815154	2346	72.633	-17.641	15.493	-12.241	-3.204	1.194	2.726	3.294	-0.584	-0.874	-5.177	1.286	5.019	0.303	-0.499	-1.952	-2.608	2.679	3.503	-2.652	0.153	-1.21	-0.604	0.852	0.883	0.524	-0.268	-2.061	0.181	1.914	0.048	454.414	24.796	-4.933	-0.806	-4.239	4.15	1.819	-3.026	-0.63	1.798	0.552	-0.939	-1.481	1.881	0.835	-0.931	-0.796	-0.101	1.286	-0.15	-1.099	0.167	0.299	-0.034	-0.375	-0.043	0.552	0.007	-0.256	-0.239	0.393	0.154	630.264	30.003	-5.194	1.417	-4.881	2.005	1.387	-1.127	0.076	0.924	0.435	-2.029	-0.507	2.355	0.551	-0.855	-0.927	-0.377	1.449	0.272	-1.085	0.254	-0.179	-0.174	-0.028	0.262	0.458	-0.221	-0.535	-0.081	0.68	0.023	2242.143	72.084	-17.199	14.431	-12.084	-2.726	1.379	2.38	2.858	-0.301	-0.423	-5.237	1.047	4.923	0.479	-0.544	-1.947	-2.525	2.63	3.351	-2.629	0.156	-1.014	-0.667	0.778	0.807	0.543	-0.168	-1.897	0.038	1.803	0.14	790.523	34.265	-5.854	2.954	-5.581	0.914	1.266	-0.209	0.515	0.528	0.255	-2.566	-0.021	2.676	0.451	-0.836	-1.062	-0.585	1.605	0.608	-1.175	0.269	-0.445	-0.215	0.162	0.405	0.423	-0.318	-0.745	0.005	0.878	-0.035	3127.383	90.372	-24.84	22.027	-15.346	-4.601	1.16	3.385	4.63	-0.834	-1.308	-6.183	1.481	6.039	0.227	-0.222	-2.197	-3.645	2.994	4.9	-3.403	0.095	-1.245	-0.929	1.008	1.056	0.618	-0.094	-2.572	0.17	2.253	0.17	3780.486	137.746	-29.162	21.365	-24.916	-1.279	4.631	1.51	3.555	1.313	1.116	-9.88	0.281	9.442	2.684	-2.072	-4.251	-4.088	4.991	5.676	-5.073	0.056	-1.053	-1.378	1.086	1.19	1.309	-0.061	-2.777	-0.699	2.989	0.924
ZINC04617776	2016	64.116	-16.025	11.651	-11.543	-5.067	1.675	2.239	1.756	0.429	-2.077	-4.547	0.988	4.092	0.296	-0.181	-1.526	-1.901	1.95	2.756	-2.054	0.443	-0.844	-0.546	0.753	0.604	0.587	-0.136	-1.586	-0.417	1.832	0.023	618.255	25.772	-7.458	-1.39	-5.611	3.562	0.689	-1.791	-0.809	1.894	-0.421	-0.009	-1.184	1.629	0.986	-1.217	-0.394	-0.552	1.126	0.058	-0.689	-0.103	0.34	-0.246	-0.312	0.099	0.369	0.207	-0.395	-0.267	-0.221	0.341	584.09	27.645	-5.273	0.31	-4.774	0.891	1.352	-1.019	-0.29	1.104	-0.3	-1.522	-0.544	1.942	0.486	-0.806	-0.635	-0.469	1.192	0.251	-0.874	0.267	-0.161	-0.244	-0.058	0.191	0.407	-0.083	-0.492	-0.191	0.538	0.199	1968.61	64.532	-16.08	10.821	-11.472	-4.805	1.828	1.988	1.454	0.597	-1.635	-4.656	0.715	3.967	0.47	-0.227	-1.48	-1.943	1.875	2.695	-2.068	0.439	-0.722	-0.601	0.667	0.569	0.532	0.001	-1.451	-0.537	1.674	0.116	722.907	30.914	-6.043	1.748	-5.368	-0.012	1.123	-0.094	-0.01	0.804	-0.598	-1.88	-0.117	2.296	0.306	-0.75	-0.751	-0.61	1.334	0.449	-0.873	0.29	-0.357	-0.285	0.1	0.308	0.438	-0.198	-0.639	-0.171	0.753	0.118	2686.997	79.655	-22.687	17.26	-14.66	-6.997	1.756	2.832	2.597	0.465	-2.7	-5.689	1.197	4.772	0.357	0.193	-1.739	-2.589	2.066	3.905	-2.682	0.54	-0.813	-0.803	0.921	0.715	0.658	0.043	-1.952	-0.655	2.184	-0.004	3743.319	127.536	-30.064	12.351	-23.211	-7.869	5.515	1.336	1.429	2.621	-0.998	-9.143	-0.666	6.526	3.134	-1.134	-2.778	-3.974	2.53	5.44	-4.127	0.49	-0.456	-1.25	1.023	0.824	0.495	0.835	-1.931	-1.574	1.99	1.067
ZINC03815165	2145	73.981	-17.976	16.917	-13.557	-0.521	0.78	2.62	2.728	-0.144	-1.111	-4.946	0.402	4.704	0.05	-0.495	-2.181	-2.094	2.527	3.408	-2.213	-0.083	-0.785	-0.539	0.599	0.802	0.286	-0.226	-1.944	0.096	2.001	0.177	612.715	28.178	-6.803	0.904	-4.691	5.077	0.833	-2.332	-1.09	2.118	-0.39	-0.527	-1.156	1.224	0.803	-1.005	-0.448	-0.556	1.507	-0.135	-0.543	-0.03	0.369	-0.327	-0.353	-0.115	0.181	0.167	-0.487	0.03	0.188	0.402	612.169	30.424	-5.576	2.116	-5.018	2.201	1.114	-1.038	0.076	1.077	-0.035	-1.881	-0.626	1.918	0.536	-0.892	-0.871	-0.53	1.316	0.312	-0.883	0.169	-0.008	-0.311	-0.074	0.177	0.237	-0.087	-0.615	-0.056	0.662	0.127	2067.746	73.613	-17.606	15.8	-13.235	-0.243	0.909	2.312	2.401	0.066	-0.752	-5	0.237	4.617	0.258	-0.524	-2.123	-2.079	2.474	3.264	-2.185	-0.065	-0.615	-0.607	0.522	0.745	0.287	-0.138	-1.818	-0.031	1.9	0.261	773.41	34.762	-6.6	3.963	-5.979	1.544	0.83	-0.124	0.388	0.749	-0.215	-2.307	-0.275	2.279	0.349	-0.87	-1.042	-0.692	1.45	0.62	-0.939	0.148	-0.229	-0.347	0.106	0.321	0.185	-0.188	-0.805	0.036	0.868	0.074	2851.193	92.641	-24.966	23.716	-17.171	-0.949	0.735	3.356	3.774	-0.266	-1.48	-5.954	0.369	5.777	-0.051	-0.183	-2.53	-2.833	2.92	4.774	-2.855	-0.176	-0.775	-0.716	0.66	0.971	0.379	-0.131	-2.368	0.034	2.387	0.307	3585.486	140.89	-30.216	23.953	-25.19	2.175	3.447	1.584	3.209	1.685	-0.308	-9.287	-0.768	8.498	2.342	-1.733	-4.041	-3.608	4.671	5.481	-4.109	-0.383	-0.239	-1.414	0.534	1.036	0.649	0.084	-2.857	-0.721	3.094	1.177
ZINC03815352	1128	38.655	-5.44	0.896	-7.738	-2.359	3	1.079	0.404	-0.969	-1.062	0.311	-0.563	-0.916	2.645	-0.571	-0.476	-2.105	-0.114	3.095	-0.472	-0.76	-0.773	-0.359	1.146	0.81	-0.217	-0.861	-0.292	0.513	0.173	0.087	462.175	23.712	-2.813	-0.004	-5.556	2.064	5.275	-2.396	-2.045	1.074	0.037	2.043	-1.694	-2.02	2.767	-0.234	0.586	-1.294	-0.829	1.893	-0.382	-0.21	-0.767	-0.03	1.311	-0.564	-0.403	-0.133	0.177	0.585	-0.619	-0.113	449.086	20.72	-2.355	0.692	-5.031	0.754	3.728	-1.307	-1.148	0.554	-0.153	1.158	-1.159	-1.111	2.156	-0.359	0.245	-1.294	-0.26	1.584	-0.314	-0.217	-0.743	0.004	0.987	-0.26	-0.317	-0.096	0.016	0.422	-0.361	0.024	1170.09	40.519	-6.148	1.34	-8.143	-2.189	3.775	1.107	-0.275	-1.023	-0.552	0.451	-0.882	-1.095	2.903	-0.603	-0.253	-2.101	-0.432	3.336	-0.582	-0.739	-0.762	-0.46	1.321	0.758	-0.298	-0.951	-0.137	0.556	-0.025	0.108	472.794	20.04	-2.237	1.001	-5.053	0.19	3.044	-0.84	-0.577	0.31	-0.385	0.791	-0.84	-0.791	1.948	-0.404	0.037	-1.308	-0.026	1.514	-0.262	-0.244	-0.765	0.009	0.882	-0.106	-0.262	-0.115	-0.098	0.371	-0.195	0.074	1442.121	47.542	-8.004	1.244	-8.568	-3.558	3.027	1.966	0.745	-1.543	-1.352	0.258	-0.527	-1.104	2.897	-0.595	-0.56	-2.464	-0.333	3.795	-0.586	-1	-0.639	-0.605	1.178	1.294	-0.219	-1.22	-0.322	0.588	0.288	0.046	3276.274	122.073	-17.19	6.706	-28.747	-0.356	19.094	-0.714	-5.861	-1.244	0.767	4.487	-5.192	-5.786	11.43	-1.955	1.165	-5.797	-3.759	10.655	-1.855	-1.68	-2.963	-1.448	5.631	0.594	-1.461	-2.831	0.503	2.187	-1.665	0.41
ZINC03815173	2346	76.39	-19.807	18.206	-14.36	0.572	1.429	3.001	3.455	-0.134	-1.08	-4.92	0.559	4.904	-0.268	-0.383	-2.164	-2.243	2.746	3.384	-2.372	0.213	-1.138	-0.478	0.587	0.894	0.277	-0.302	-1.973	-0.016	2.218	0.093	654.964	27.41	-6.582	0.782	-4.958	5.287	0.978	-2.299	-1.107	2.099	-0.262	-0.642	-1.156	1.284	0.787	-0.951	-0.52	-0.549	1.617	-0.167	-0.455	0.022	0.394	-0.369	-0.429	-0.017	0.238	0.113	-0.46	0.058	0.248	0.41	666.772	31.028	-5.953	2.156	-5.265	2.494	1.275	-0.979	0.199	1.062	0.035	-1.952	-0.586	1.988	0.485	-0.877	-0.867	-0.572	1.425	0.304	-0.875	0.274	-0.082	-0.343	-0.083	0.221	0.261	-0.12	-0.633	-0.06	0.731	0.119	2257.382	75.779	-19.298	17.007	-13.989	0.768	1.552	2.661	3.113	0.093	-0.717	-4.987	0.387	4.787	-0.029	-0.408	-2.1	-2.227	2.685	3.246	-2.318	0.216	-0.957	-0.562	0.517	0.822	0.286	-0.206	-1.84	-0.142	2.092	0.174	844.263	35.547	-7.131	4.126	-6.312	1.891	1.048	0.009	0.539	0.733	-0.14	-2.387	-0.207	2.361	0.27	-0.856	-1.03	-0.748	1.582	0.618	-0.965	0.27	-0.335	-0.378	0.096	0.374	0.198	-0.222	-0.829	0.029	0.967	0.051	3114.954	95.589	-27.418	25.631	-18.179	0.543	1.59	3.799	4.834	-0.254	-1.483	-5.849	0.523	6.021	-0.482	0.01	-2.533	-3.016	3.148	4.722	-3.062	0.202	-1.233	-0.613	0.629	1.074	0.381	-0.233	-2.377	-0.134	2.642	0.195	3888.444	143.759	-32.958	25.217	-26.532	3.729	4.557	2.137	4.557	1.792	-0.187	-9.378	-0.461	8.65	1.935	-1.58	-3.959	-3.914	4.989	5.51	-4.126	0.134	-0.829	-1.471	0.545	1.139	0.678	0	-2.891	-0.882	3.286	1.007
ZINC03815367	435	29.34	-1.894	1.441	-3.618	-2.725	4.855	-0.116	-0.414	-0.39	0.47	-0.599	-0.207	-0.098	1.055	0.202	-0.35	-1.749	0.265	1.489	-0.24	0.269	-1.227	-0.039	0.975	0.158	-0.062	-0.376	0.232	-0.048	0.076	0.003	183.793	19.76	-2.068	-0.172	-3.458	1.377	3.578	-1.4	-1.14	0.439	0.502	0.941	-1.01	-1.062	1.395	-0.06	0.37	-0.851	-0.314	0.845	-0.085	0.01	-0.516	0.157	0.477	-0.097	-0.235	-0.11	0.224	0.253	-0.253	-0.189	195.309	19.547	-1.581	-0.179	-3	0.468	3.267	-0.908	-0.869	0.225	0.495	0.351	-0.725	-0.64	1.087	0.04	0.047	-0.86	-0.063	0.821	-0.122	-0.002	-0.563	0.154	0.517	-0.103	-0.171	-0.09	0.179	0.124	-0.166	-0.133	433.237	29.691	-2.119	1.393	-3.711	-2.515	4.944	-0.202	-0.577	-0.334	0.529	-0.435	-0.298	-0.248	1.172	0.155	-0.237	-1.744	0.148	1.534	-0.194	0.259	-1.205	-0.06	0.955	0.183	-0.095	-0.371	0.248	-0.015	0.04	-0.016	213.288	20.145	-1.348	-0.108	-2.893	-0.054	3.278	-0.682	-0.736	0.12	0.47	0.085	-0.579	-0.462	0.982	0.081	-0.1	-0.91	0.05	0.849	-0.151	0.011	-0.631	0.145	0.569	-0.093	-0.14	-0.103	0.16	0.066	-0.106	-0.108	547.214	33.498	-2.814	2.408	-4.003	-3.779	5.606	-0.014	-0.381	-0.555	0.5	-0.739	-0.158	-0.051	1.202	0.203	-0.323	-2.191	0.269	1.841	-0.257	0.402	-1.451	-0.132	1.096	0.307	-0.053	-0.513	0.336	-0.08	0.077	0.063	1186.09	95.336	-7.406	2.15	-13.259	-2.385	16.528	-2.542	-3.928	0.281	2.034	1.682	-2.465	-3.122	5.282	-0.063	0.853	-4.895	-1.024	4.827	-0.208	0.568	-3.367	-0.136	2.793	0.411	-0.746	-0.99	0.876	0.616	-0.396	-0.531
ZINC00109589	465	28.758	-2.403	2.234	-4.105	-3.108	4.189	-0.112	0.127	-0.37	0.759	-1.434	-0.199	0.648	0.882	0.308	-0.378	-1.757	0.554	1.408	-0.756	0.293	-1.301	0.046	1.102	-0.059	-0.117	-0.404	0.074	-0.072	0.121	0.121	182.352	19.467	-2.106	-0.165	-3.39	1.453	3.238	-1.48	-1.016	0.649	0.632	0.667	-1.003	-0.846	1.385	0.057	0.235	-0.921	-0.154	0.789	-0.204	-0.099	-0.487	0.166	0.548	-0.144	-0.292	-0.05	0.125	0.254	-0.363	0.002	205.395	19.812	-1.736	-0.094	-3.144	0.598	3.016	-0.971	-0.721	0.343	0.647	0.093	-0.773	-0.368	1.106	0.137	-0.006	-0.988	0.092	0.837	-0.308	-0.064	-0.583	0.192	0.611	-0.17	-0.235	-0.061	0.106	0.145	-0.261	0.002	456.68	28.927	-2.512	2.125	-4.149	-2.866	4.232	-0.207	-0.022	-0.285	0.809	-1.284	-0.28	0.479	0.984	0.279	-0.317	-1.732	0.442	1.417	-0.69	0.261	-1.244	0.015	1.078	-0.02	-0.15	-0.397	0.076	-0.046	0.091	0.112	229.118	20.577	-1.591	0.047	-3.116	0.051	3.041	-0.733	-0.559	0.193	0.642	-0.205	-0.645	-0.135	0.989	0.181	-0.124	-1.052	0.212	0.891	-0.374	-0.031	-0.67	0.191	0.673	-0.176	-0.204	-0.088	0.092	0.092	-0.192	0.007	578.096	32.26	-3.388	3.563	-4.667	-4.373	4.703	-0.041	0.382	-0.541	0.839	-1.839	-0.104	0.883	0.953	0.302	-0.386	-2.103	0.619	1.642	-0.913	0.438	-1.521	-0.013	1.237	0.029	-0.111	-0.545	0.112	-0.126	0.193	0.197	1188.09	91.962	-7.69	3.229	-13.584	-3.046	14.036	-2.713	-2.366	0.892	2.766	-0.784	-2.328	-1.333	4.693	0.622	0.009	-4.723	-0.127	4.2	-1.237	0.164	-3.167	-0.054	3.104	0.013	-0.985	-0.94	0.22	0.422	-0.372	0.089
ZINC03815364	1128	53.042	-10.594	11.053	-8.911	-1.177	2.954	1.553	2.005	-0.229	-0.084	-3.867	0.502	3.848	-0.144	-0.284	-1.387	-1.585	1.429	2.295	-1.6	0.363	-0.672	-0.604	0.545	0.59	0.222	0.008	-1.172	-0.046	0.984	0.014	237.503	20.084	-3.967	0.004	-3.385	3.316	1.714	-2.176	-0.33	1.675	0.284	-0.599	-1.123	1.147	0.282	-0.673	-0.602	-0.206	0.856	-0.039	-0.691	0.145	0.329	0.02	-0.299	-0.037	0.32	-0.026	-0.229	-0.188	0.219	0.119	313.864	23.894	-3.816	1.292	-3.525	1.849	1.575	-0.872	0.085	0.919	0.401	-1.436	-0.483	1.572	0.061	-0.544	-0.688	-0.382	0.952	0.183	-0.697	0.259	0.032	-0.149	-0.07	0.181	0.282	-0.143	-0.374	-0.088	0.421	0.017	1086.554	52.697	-10.462	10.413	-8.84	-0.945	3.023	1.336	1.816	-0.06	0.182	-3.895	0.333	3.735	0.01	-0.335	-1.397	-1.569	1.369	2.238	-1.581	0.339	-0.537	-0.614	0.466	0.56	0.246	0.049	-1.076	-0.129	0.899	0.089	386.564	26.926	-4.103	2.272	-3.878	1.129	1.642	-0.262	0.311	0.606	0.372	-1.849	-0.167	1.85	-0.035	-0.498	-0.772	-0.5	1.04	0.38	-0.758	0.298	-0.137	-0.219	0.066	0.277	0.254	-0.18	-0.494	-0.041	0.55	-0.028	1506.367	64.831	-14.582	15.724	-11.637	-1.861	3.578	1.911	3.002	-0.452	-0.314	-4.647	0.508	4.748	-0.103	-0.18	-1.593	-2.122	1.413	3.249	-1.997	0.379	-0.719	-0.836	0.623	0.719	0.256	0.174	-1.38	-0.121	1.043	0.084	1945.434	104.287	-20.192	16.904	-18.895	0.131	6.979	0.417	2.26	2.023	1.66	-7.302	-0.954	6.751	1.357	-1.272	-3.088	-2.938	2.159	4.237	-3.037	0.503	-0.028	-1.281	0.308	0.8	0.743	0.596	-1.483	-0.938	1.156	0.725
ZINC03815303	595	31.983	-2.324	3.156	-5.114	-2.492	3.841	0.42	0.268	-0.416	0.865	-1.497	-0.029	0.414	1.381	-0.025	-0.135	-1.847	0.485	1.852	-0.845	0.01	-1.271	0.023	1.041	0.11	-0.1	-0.484	-0.005	-0.044	0.247	0.089	233.073	20.96	-1.916	-0.246	-3.967	1.65	3.538	-1.579	-1.13	0.896	0.602	0.896	-1.108	-1.014	1.649	0.052	0.369	-1.013	-0.172	0.956	-0.241	-0.159	-0.598	0.186	0.688	-0.202	-0.325	-0.073	0.155	0.288	-0.427	0.026	253.48	20.724	-1.552	0.163	-3.688	0.828	3.059	-0.976	-0.705	0.473	0.612	0.178	-0.798	-0.488	1.34	0.03	0.104	-1.045	0.081	0.969	-0.341	-0.117	-0.653	0.197	0.671	-0.164	-0.245	-0.096	0.09	0.169	-0.271	0.032	592.651	32.97	-2.63	3.033	-5.173	-2.275	3.994	0.342	0.02	-0.312	0.992	-1.312	-0.162	0.271	1.488	-0.023	-0.025	-1.853	0.368	1.895	-0.791	-0.028	-1.239	0.003	1.039	0.13	-0.144	-0.482	0.041	-0.018	0.181	0.085	279.185	21.142	-1.33	0.466	-3.684	0.324	2.959	-0.682	-0.458	0.273	0.593	-0.174	-0.619	-0.25	1.229	0.025	-0.026	-1.092	0.204	1.018	-0.402	-0.09	-0.723	0.188	0.699	-0.139	-0.203	-0.129	0.047	0.114	-0.171	0.038	745.976	37.049	-3.494	4.745	-5.718	-3.675	4.24	0.761	0.52	-0.642	1.041	-1.927	0.155	0.597	1.546	-0.093	-0.055	-2.204	0.519	2.24	-1.037	0.043	-1.427	-0.048	1.123	0.264	-0.089	-0.626	0.026	-0.103	0.372	0.123	1561.204	104.093	-7.34	4.992	-17.111	-1.672	14.395	-1.535	-2.736	1.171	3.248	-0.174	-2.403	-1.791	6.151	0.126	1.049	-5.16	-0.261	5.525	-1.49	-0.536	-3.443	0.049	3.356	0.161	-1.043	-1.209	0.401	0.55	-0.458	0.175
ZINC03815312	1225	53.565	-12.97	12.411	-10.637	-1.509	2.252	1.146	1.715	-0.133	0.244	-4.097	0.326	3.666	0.018	-0.337	-1.351	-1.679	1.16	2.02	-1.116	0.335	-0.476	-0.721	0.597	0.96	0.027	0.398	-1.53	0.177	0.883	-0.029	265.454	20.801	-3.955	0.305	-3.579	3.285	1.517	-2.407	-0.72	1.801	0.463	-0.505	-1.312	1.244	0.391	-0.512	-0.593	-0.237	0.936	-0.094	-0.532	0.187	0.315	0.055	-0.194	-0.015	0.309	0.084	-0.172	-0.261	0.212	0.036	340.037	24.294	-4.142	1.593	-3.915	1.813	1.274	-1.178	-0.174	0.963	0.656	-1.423	-0.612	1.643	0.169	-0.472	-0.676	-0.397	0.941	0.112	-0.478	0.229	0.062	-0.127	-0.006	0.277	0.218	0.014	-0.373	-0.071	0.388	-0.067	1186.667	53.6	-12.537	11.876	-10.589	-1.238	2.366	0.918	1.569	0.022	0.501	-4.154	0.14	3.61	0.185	-0.308	-1.407	-1.699	1.139	1.973	-1.093	0.344	-0.36	-0.737	0.521	0.877	0.083	0.435	-1.416	0.054	0.782	0.037	415.128	27.14	-4.679	2.618	-4.358	1.089	1.285	-0.617	0.086	0.626	0.652	-1.861	-0.286	1.887	0.07	-0.481	-0.741	-0.516	0.986	0.289	-0.509	0.242	-0.08	-0.205	0.114	0.419	0.162	0.003	-0.527	0.02	0.508	-0.11	1646.516	65.892	-17.731	17.738	-14.079	-2.42	2.691	1.569	2.659	-0.281	0.008	-5.048	0.333	4.503	0.117	-0.164	-1.603	-2.256	1.053	2.887	-1.401	0.417	-0.481	-1.049	0.69	1.161	0.03	0.671	-1.935	0.152	0.898	0.073	2254.153	109.407	-20.692	21.602	-23.238	-0.373	6.169	-0.724	2.402	2.331	1.845	-8.184	-1.687	6.713	2.207	-0.4	-3.712	-3.523	1.806	3.761	-1.984	0.747	0.236	-1.788	0.393	0.977	0.741	1.354	-2.075	-1.06	0.693	0.645
ZINC03815256	595	34.563	-3.276	2.928	-5.013	-2.93	4.055	0.356	0.364	-0.411	0.649	-1.4	-0.18	0.706	1.337	0.15	-0.254	-1.838	0.403	1.876	-0.678	0.053	-1.304	0.032	1.131	0.184	-0.158	-0.42	0.016	-0.093	0.236	0.104	233.073	22.28	-2.202	-0.261	-3.672	1.557	3.504	-1.646	-1.119	0.943	0.51	0.771	-1.191	-0.996	1.713	0.056	0.345	-1.029	-0.273	0.872	-0.191	-0.09	-0.569	0.138	0.677	-0.157	-0.351	-0.057	0.142	0.274	-0.391	-0.036	253.48	22.023	-1.91	0.143	-3.515	0.678	3.086	-0.973	-0.713	0.499	0.529	0.142	-0.848	-0.427	1.351	0.055	0.066	-1.064	0.017	0.94	-0.282	-0.089	-0.64	0.165	0.679	-0.126	-0.267	-0.069	0.104	0.159	-0.251	-0.005	592.651	35.763	-3.399	2.833	-5.052	-2.772	4.185	0.238	0.127	-0.284	0.776	-1.281	-0.333	0.543	1.463	0.146	-0.145	-1.855	0.275	1.893	-0.632	0.04	-1.261	-0.004	1.128	0.22	-0.213	-0.426	0.049	-0.079	0.181	0.091	279.185	22.413	-1.833	0.399	-3.556	0.159	3.014	-0.662	-0.48	0.285	0.504	-0.173	-0.667	-0.163	1.218	0.066	-0.073	-1.108	0.152	1.013	-0.333	-0.079	-0.717	0.166	0.717	-0.102	-0.221	-0.097	0.071	0.105	-0.158	0.013	745.976	40.186	-4.585	4.42	-5.693	-4.22	4.531	0.639	0.675	-0.637	0.744	-1.801	-0.061	0.99	1.503	0.16	-0.203	-2.185	0.429	2.272	-0.822	0.107	-1.482	-0.028	1.254	0.352	-0.164	-0.558	0.04	-0.177	0.347	0.158	1561.204	113.514	-9.264	4.321	-16.242	-3.084	14.701	-2.089	-2.419	1.551	2.652	-0.837	-3.096	-1.35	6.358	0.407	0.744	-5.254	-0.679	5.265	-1.141	-0.149	-3.378	-0.113	3.503	0.498	-1.301	-1.1	0.32	0.305	-0.337	0.001
ZINC03815253	630	35.484	-1.078	2.708	-4.889	-2.118	3.867	0.357	0.011	-0.513	0.259	-1.156	-0.132	0.172	1.856	0.217	-0.117	-1.775	0.373	1.818	-0.773	-0.021	-1.14	-0.104	1.142	0.137	-0.421	-0.458	0.033	0.032	-0.065	-0.009	262.506	22.602	-2.042	-0.041	-3.877	1.933	3.816	-1.655	-1.177	0.944	0.5	1.058	-1.129	-1.185	1.864	0.054	0.416	-0.975	-0.255	1.062	-0.265	-0.15	-0.497	0.107	0.764	-0.202	-0.456	-0.068	0.139	0.358	-0.426	-0.059	269.877	22.036	-1.319	0.313	-3.539	1.009	3.197	-1.036	-0.789	0.525	0.481	0.355	-0.829	-0.575	1.526	0.088	0.152	-1.037	0.034	1.011	-0.342	-0.114	-0.573	0.135	0.697	-0.177	-0.372	-0.082	0.097	0.206	-0.321	-0.031	639.019	36.797	-1.462	2.871	-5.139	-2.031	4.117	0.325	-0.207	-0.386	0.423	-1.023	-0.288	-0.023	2.017	0.226	-0.015	-1.775	0.209	1.882	-0.75	-0.04	-1.071	-0.158	1.188	0.158	-0.492	-0.463	0.075	0.084	-0.111	-0.023	290.111	22.329	-1.02	0.525	-3.484	0.54	3.019	-0.766	-0.569	0.304	0.429	0.025	-0.645	-0.309	1.402	0.112	0.023	-1.082	0.172	1.031	-0.387	-0.099	-0.649	0.135	0.708	-0.154	-0.33	-0.108	0.062	0.14	-0.257	-0.014	793.379	41.524	-1.774	4.067	-5.481	-3.23	4.282	0.789	0.223	-0.82	0.23	-1.582	0.009	0.269	2.139	0.244	-0.052	-2.113	0.359	2.166	-0.933	0.02	-1.284	-0.213	1.277	0.307	-0.506	-0.619	0.068	-0.002	-0.036	-0.003	1881.929	117.56	-6.675	8.734	-19.899	-1.129	15.83	-1.204	-2.759	1.207	2.363	0.671	-2.876	-3.328	8.565	0.923	1.426	-4.579	-1.647	5.947	-1.519	-0.496	-2.549	-0.995	4.354	0.245	-2.201	-1.206	0.439	1.396	-1.093	-0.314
ZINC03815365	630	32.312	-2.276	2.264	-5.614	-2.439	2.991	0.633	-0.516	-0.14	0.394	-0.58	-0.481	0.122	1.411	0.01	-0.07	-1.831	0.27	1.922	-0.45	-0.053	-0.903	-0.204	1.069	0.349	-0.44	-0.353	0.035	-0.016	0.255	-0.082	262.506	21.788	-2.332	-0.176	-3.993	1.497	3.673	-1.799	-1.324	0.93	0.484	1.498	-1.237	-1.122	1.569	-0.007	0.383	-1.086	-0.336	1.279	-0.137	-0.192	-0.486	0.067	0.715	-0.161	-0.403	-0.104	0.165	0.406	-0.33	-0.151	269.877	20.85	-1.771	0.124	-3.752	0.572	2.959	-1.037	-0.94	0.588	0.495	0.744	-0.932	-0.588	1.229	-0.017	0.144	-1.12	0.001	1.181	-0.216	-0.161	-0.561	0.109	0.663	-0.114	-0.349	-0.074	0.139	0.257	-0.206	-0.097	639.019	33.842	-2.587	2.433	-5.743	-2.373	3.25	0.509	-0.733	-0.024	0.545	-0.444	-0.662	-0.039	1.547	0.022	0.053	-1.851	0.082	1.996	-0.417	-0.037	-0.862	-0.26	1.087	0.371	-0.49	-0.387	0.068	0.023	0.192	-0.104	290.111	20.869	-1.578	0.314	-3.779	0.106	2.714	-0.688	-0.734	0.414	0.458	0.404	-0.753	-0.347	1.107	-0.013	0.02	-1.151	0.157	1.186	-0.252	-0.15	-0.618	0.109	0.675	-0.079	-0.323	-0.079	0.108	0.189	-0.122	-0.071	793.379	37.722	-3.255	3.482	-6.417	-3.463	3.083	1.163	-0.508	-0.32	0.379	-0.891	-0.464	0.211	1.625	0.031	0.014	-2.155	0.203	2.251	-0.529	0	-0.941	-0.366	1.192	0.587	-0.509	-0.482	0.035	-0.095	0.377	-0.086	1881.929	113.331	-9.525	7.55	-20.028	-3.1	13.979	-2.437	-4.63	1.515	2.632	2.218	-4.44	-3	6.855	0.143	1.45	-5.337	-2.226	6.723	-0.565	-0.097	-2.077	-1.099	3.761	0.802	-2.025	-1.458	0.471	1.08	-0.399	-0.61
ZINC01386812	741	37.397	-1.973	2.688	-5.698	-1.855	3.395	0.762	0.376	-0.697	0.152	-1.218	0.153	0.395	2.072	0.018	-0.06	-1.96	0.654	2.281	-0.824	-0.238	-1.37	0.076	1.056	0.472	-0.319	-0.698	-0.006	0.004	0.197	0.183	290.047	22.344	-1.998	-0.037	-4.09	2.288	3.749	-1.77	-1.102	1.019	0.565	1.036	-1.223	-1.102	1.995	0.024	0.417	-1.089	-0.182	1.209	-0.265	-0.154	-0.508	0.14	0.846	-0.224	-0.476	-0.076	0.087	0.369	-0.452	0.001	306.589	21.562	-1.454	0.408	-3.92	1.223	3.059	-1.035	-0.654	0.545	0.471	0.312	-0.823	-0.468	1.662	0.018	0.182	-1.133	0.125	1.168	-0.335	-0.132	-0.637	0.188	0.749	-0.12	-0.377	-0.123	0.037	0.211	-0.271	0.049	746.354	38.384	-2.422	2.837	-5.883	-1.75	3.694	0.714	0.022	-0.605	0.416	-1.081	-0.051	0.236	2.223	-0.013	0.037	-1.969	0.496	2.367	-0.82	-0.256	-1.291	0.008	1.102	0.49	-0.39	-0.725	0.047	0.046	0.106	0.183	334.162	21.936	-1.203	0.649	-3.983	0.707	2.826	-0.711	-0.362	0.307	0.366	-0.033	-0.583	-0.189	1.549	0.031	0.063	-1.173	0.277	1.199	-0.371	-0.13	-0.743	0.204	0.741	-0.06	-0.327	-0.163	-0.006	0.145	-0.158	0.073	935.244	44.713	-3.127	4.017	-6.227	-2.957	3.695	1.368	0.619	-1.094	0.095	-1.604	0.4	0.513	2.364	-0.008	0.023	-2.341	0.715	2.757	-1.038	-0.28	-1.556	0.007	1.126	0.755	-0.351	-0.951	0.057	-0.05	0.294	0.23	1985.679	116.051	-8.365	6.534	-19.551	0.082	14.429	-0.907	-2.913	0.65	2.715	0.081	-2.612	-1.882	8.294	-0.015	1.221	-5.511	-0.198	6.991	-1.747	-0.891	-3.198	-0.268	3.912	0.913	-1.87	-1.882	0.255	0.904	-0.673	0.429
ZINC00020368	666	33.156	-3.803	4.515	-4.828	-3.141	4.195	0.547	0.096	-0.447	0.32	-1.162	-0.232	0.402	1.085	0.09	-0.392	-1.816	0.234	2.002	-0.739	0.186	-1.121	0.126	0.749	0.124	0.063	-0.418	-0.05	-0.061	0.108	0.004	285.977	23.292	-2.222	0.191	-4.568	1.461	4.107	-1.507	-1.466	0.99	0.249	1.174	-1.144	-1.146	1.381	0.027	0.373	-0.755	-0.429	1.007	-0.173	-0.047	-0.492	0.048	0.64	-0.016	-0.166	-0.165	0.202	0.203	-0.294	-0.155	288.831	21.323	-1.887	0.378	-3.784	0.452	3.339	-0.871	-0.905	0.514	0.405	0.281	-0.85	-0.522	1.088	0.035	0.068	-0.87	-0.138	1.021	-0.295	-0.052	-0.548	0.111	0.57	-0.015	-0.109	-0.115	0.125	0.119	-0.187	-0.116	675.044	34.514	-3.909	4.675	-5.243	-2.848	4.459	0.432	-0.139	-0.291	0.295	-0.914	-0.346	0.173	1.201	0.079	-0.298	-1.748	0.063	2.03	-0.696	0.207	-1.115	0.083	0.769	0.165	0.026	-0.429	-0.021	-0.055	0.052	-0.008	309.625	21.32	-1.832	0.632	-3.544	-0.145	3.152	-0.564	-0.636	0.307	0.434	-0.113	-0.701	-0.241	0.985	0.041	-0.077	-0.967	0.004	1.078	-0.356	-0.053	-0.604	0.13	0.576	-0.014	-0.074	-0.122	0.082	0.082	-0.117	-0.095	848.821	39.348	-5.364	6.815	-5.572	-4.357	4.71	0.83	0.402	-0.724	0.33	-1.489	-0.129	0.531	1.278	0.113	-0.396	-2.237	0.199	2.474	-0.903	0.32	-1.334	0.136	0.77	0.208	0.107	-0.577	-0.038	-0.106	0.123	0.06	2065.929	120.849	-11.644	14.61	-22.577	-1.624	18.499	-0.873	-5.011	2.831	-1.239	2.667	-2.809	-3.448	4.711	0.159	0.088	-3.519	-1.793	5.813	-1.182	0.373	-2.66	-0.229	2.823	0.907	-0.51	-1.354	0.381	-0.18	-0.599	-0.324
ZINC03815297	861	40.356	-3.057	2.29	-6.632	-1.855	2.29	1.03	0.401	-0.526	0.017	-0.664	0.104	0.367	1.724	-0.006	-0.489	-2.23	0.762	2.744	-0.76	-0.167	-1.229	-0.153	1.009	0.675	-0.254	-0.736	0.006	0.118	0.482	0.133	318.952	23.381	-2.168	-0.04	-4.365	2.236	3.773	-1.963	-1.201	1.027	0.649	1.421	-1.313	-0.983	1.741	-0.026	0.266	-1.103	-0.049	1.407	-0.235	-0.187	-0.479	0.142	0.752	-0.174	-0.41	-0.062	0.166	0.367	-0.335	-0.063	345.632	22.807	-1.69	0.469	-4.374	1.106	2.887	-1.117	-0.697	0.571	0.505	0.651	-0.837	-0.386	1.439	-0.039	-0.005	-1.196	0.277	1.379	-0.291	-0.129	-0.621	0.159	0.664	-0.039	-0.344	-0.123	0.097	0.236	-0.145	0.033	862.004	41.177	-3.457	2.473	-6.737	-1.759	2.691	0.932	0.002	-0.453	0.303	-0.519	-0.165	0.243	1.865	-0.031	-0.352	-2.209	0.587	2.81	-0.753	-0.192	-1.168	-0.204	1.061	0.677	-0.33	-0.762	0.073	0.149	0.374	0.122	381.315	23.359	-1.508	0.723	-4.557	0.568	2.522	-0.724	-0.371	0.347	0.368	0.297	-0.557	-0.125	1.333	-0.029	-0.159	-1.268	0.437	1.437	-0.326	-0.108	-0.723	0.151	0.659	0.042	-0.304	-0.173	0.043	0.183	-0.018	0.075	1088.771	48.418	-4.603	3.254	-7.226	-2.822	2.233	1.781	0.618	-0.832	-0.132	-0.913	0.276	0.417	1.916	0.01	-0.486	-2.696	0.787	3.304	-0.955	-0.205	-1.346	-0.304	1.098	1.002	-0.254	-0.997	0.05	0.107	0.658	0.13	2224.682	120.851	-10.105	6.651	-21.638	-0.38	12.826	-1.052	-3.129	0.532	2.621	1.859	-3.16	-1.36	7.067	-0.254	0.361	-5.712	0.098	8.213	-1.508	-0.847	-3.007	-0.6	3.679	1.43	-1.651	-1.973	0.565	0.995	-0.045	0.2
ZINC03815342	703	33.998	-3.167	1.114	-5.288	-1.688	3.886	0.138	-0.623	-0.673	-0.006	0.292	-0.919	-0.206	2.093	-0.254	-0.086	-1.809	0.008	2.505	-0.329	-0.262	-0.868	-0.148	0.988	0.176	-0.318	-0.398	-0.109	0.048	-0.107	-0.164	403.551	23.166	-2.94	-0.538	-5.192	2.401	4.117	-1.906	-1.525	0.927	-0.083	1.959	-1.681	-1.587	2.138	-0.001	0.553	-1.004	-0.827	1.91	-0.301	-0.021	-0.502	-0.087	1.132	-0.464	-0.403	-0.146	0.18	0.271	-0.316	-0.253	324.113	20.551	-2.066	-0.13	-4.118	1.071	3.342	-1.265	-1.015	0.399	0.191	1.162	-1.147	-0.899	1.711	-0.068	0.223	-1.087	-0.247	1.498	-0.238	-0.062	-0.607	0.079	0.785	-0.328	-0.324	-0.058	0.041	0.217	-0.304	-0.134	747.792	35.59	-3.677	1.398	-5.881	-1.615	4.422	0.083	-0.939	-0.577	0.151	0.474	-1.182	-0.361	2.301	-0.248	0.044	-1.803	-0.218	2.662	-0.343	-0.278	-0.824	-0.255	1.117	0.178	-0.406	-0.447	-0.044	0.085	-0.198	-0.18	334.909	20.275	-1.914	0.108	-3.963	0.766	2.88	-0.982	-0.706	0.188	0.174	0.788	-0.934	-0.648	1.57	-0.089	0.104	-1.124	-0.071	1.482	-0.242	-0.063	-0.642	0.122	0.72	-0.277	-0.274	-0.062	-0.013	0.149	-0.227	-0.102	907.691	41.438	-4.461	2.03	-5.991	-2.786	4.523	0.617	-0.676	-1.059	-0.081	0.219	-1.038	-0.096	2.397	-0.327	-0.046	-2.128	-0.113	3.006	-0.342	-0.373	-0.878	-0.361	1.123	0.413	-0.404	-0.56	-0.103	0.003	-0.105	-0.22	2595	115.798	-13.382	3.454	-25.783	0.042	19.428	-2.281	-6.098	1.392	-0.773	5.961	-6.651	-3.69	9.363	-0.724	1.612	-4.636	-3.476	9.112	-0.836	-0.919	-2.172	-1.644	5.066	-0.242	-2.017	-1.941	0.557	0.801	-0.93	-0.863
ZINC03815083	561	36.549	-4.639	1.693	-4.457	-3.451	4.265	0.827	-0.633	-0.15	-0.345	-0.731	0.117	0.261	0.791	0.325	-0.505	-1.371	0.313	1.658	-0.617	-0.055	-1.005	-0.227	1.012	0.26	0.212	-0.417	-0.097	0.295	0.328	-0.019	196.77	18.624	-2.095	-0.635	-3.235	0.478	3.926	-1.221	-1.565	0.288	0.46	1.014	-0.875	-0.695	0.903	0.026	0.139	-0.684	-0.232	0.805	-0.109	-0.115	-0.496	-0.007	0.49	-0.005	-0.097	-0.133	0.08	0.224	-0.054	-0.248	211.226	18.395	-1.854	-0.243	-2.891	-0.231	3.199	-0.569	-1.171	0.162	0.327	0.349	-0.567	-0.29	0.667	0.069	-0.087	-0.69	0.043	0.766	-0.178	-0.1	-0.536	0.015	0.522	0.001	-0.036	-0.096	0.045	0.187	-0.005	-0.141	562.06	37.539	-4.655	1.771	-4.594	-3.401	4.584	0.736	-0.78	-0.095	-0.192	-0.659	-0.015	0.128	0.917	0.313	-0.432	-1.348	0.146	1.701	-0.59	-0.056	-0.971	-0.253	0.995	0.271	0.162	-0.435	-0.053	0.306	0.3	-0.061	234.462	19.226	-1.88	-0.012	-2.868	-0.661	3.005	-0.24	-1.014	0.087	0.208	0.068	-0.392	-0.115	0.582	0.09	-0.208	-0.729	0.183	0.801	-0.223	-0.09	-0.596	0.011	0.574	0.019	0.007	-0.107	0.009	0.179	0.048	-0.099	726.376	44.971	-6.504	2.706	-5.275	-4.649	5.064	1.119	-0.472	-0.216	-0.578	-0.955	0.256	0.307	0.954	0.45	-0.529	-1.663	0.207	2.087	-0.793	-0.031	-1.138	-0.365	1.151	0.392	0.307	-0.585	-0.097	0.352	0.386	0.01	1542.507	114.107	-13.137	5.933	-16.088	-6.855	17.392	-0.415	-4.51	0.37	1.595	-0.067	-2.161	-1.701	4.54	0.557	-0.586	-3.571	-1.152	5.371	-1.357	-0.412	-2.388	-0.61	2.631	0.686	-0.422	-1.322	0.413	1.113	0.509	-0.869
ZINC03815293	351	23.226	-1.1	-0.069	-3.522	-2.003	4.009	0.29	-1.154	0.169	0.702	-0.307	-0.723	-0.337	0.527	0.725	0.007	-1.235	-0.393	1.103	0.328	-0.023	-0.704	-0.099	0.492	-0.05	0.026	-0.08	0.055	0.073	-0.076	0.048	221.64	18.973	-2.299	-0.817	-2.986	0.693	3.741	-1.102	-1.533	-0.118	1.015	1.111	-0.959	-1.064	0.446	0.335	0.287	-0.736	-0.459	0.814	0.025	-0.114	-0.57	0.094	0.553	-0.131	-0.185	-0.043	0.082	0.167	-0.073	-0.018	172.55	16.432	-1.42	-0.65	-2.534	0.027	2.901	-0.587	-1.259	0.009	0.734	0.508	-0.722	-0.649	0.479	0.345	0.087	-0.679	-0.24	0.65	0.05	-0.136	-0.452	0.151	0.436	-0.144	-0.159	-0.016	0.117	0.129	-0.139	-0.019	369.363	24.455	-1.208	0.004	-3.879	-2.001	4.367	0.243	-1.301	0.146	0.756	-0.139	-0.851	-0.439	0.584	0.749	0.086	-1.295	-0.496	1.148	0.373	-0.018	-0.735	-0.132	0.514	-0.021	0.02	-0.078	0.047	0.108	-0.086	0.028	180.378	16.172	-1.406	-0.537	-2.471	-0.082	2.572	-0.377	-1.074	-0.012	0.729	0.258	-0.609	-0.52	0.449	0.341	0.037	-0.682	-0.188	0.679	0.025	-0.134	-0.449	0.134	0.417	-0.164	-0.122	0.002	0.105	0.09	-0.123	0.014	455.495	27.474	-1.138	0.474	-4.474	-2.951	5.003	0.575	-1.245	0.312	0.694	-0.463	-0.908	-0.339	0.642	0.936	0.075	-1.574	-0.62	1.356	0.529	0.044	-0.823	-0.253	0.509	0.026	0.102	-0.105	0.048	0.081	-0.096	0.058	1247.148	84.65	-5.398	0.58	-14.666	-5.039	17.97	-1.143	-5.733	-0.079	2.892	2.574	-4.072	-3.059	2.417	1.983	0.932	-4.002	-2.309	3.686	1.215	0.085	-2.688	-0.498	2.053	0.158	-0.108	-0.419	0.025	0.773	-0.308	-0.082
ZINC03815310	406	23.798	-1.707	0.551	-3.672	-2.336	4.126	0.256	-1.065	0.408	0.42	-0.279	-0.801	-0.218	0.728	0.874	-0.106	-1.314	-0.457	1.108	0.444	0.05	-0.689	-0.227	0.496	-0.174	0.046	-0.019	0.026	0.084	-0.179	-0.083	248.885	20.185	-1.697	-1.099	-2.759	0.455	4.049	-1.167	-1.815	-0.01	0.88	1.218	-0.962	-1.127	0.663	0.661	0.157	-0.783	-0.539	0.746	0.231	-0.089	-0.519	0.127	0.595	-0.077	-0.178	-0.143	0.159	0.18	-0.146	-0.072	192.166	16.76	-1.356	-0.666	-2.477	-0.071	3.078	-0.6	-1.363	0.081	0.689	0.548	-0.756	-0.628	0.535	0.47	0.029	-0.709	-0.276	0.634	0.129	-0.111	-0.433	0.127	0.45	-0.148	-0.149	-0.04	0.134	0.142	-0.185	-0.06	428.679	25.278	-1.721	0.661	-4.015	-2.459	4.579	0.2	-1.208	0.424	0.445	-0.111	-0.929	-0.354	0.838	0.926	-0.076	-1.392	-0.574	1.137	0.547	0.071	-0.727	-0.263	0.522	-0.141	0.048	-0.032	0.027	0.113	-0.2	-0.112	200.142	16.328	-1.449	-0.456	-2.4	-0.131	2.662	-0.376	-1.163	0.065	0.674	0.291	-0.646	-0.472	0.51	0.456	-0.006	-0.709	-0.224	0.668	0.084	-0.1	-0.412	0.103	0.432	-0.174	-0.118	-0.011	0.113	0.104	-0.169	-0.04	533.912	28.683	-1.954	1.442	-4.772	-3.579	5.231	0.501	-1.003	0.679	0.218	-0.443	-0.984	-0.211	0.99	1.131	-0.131	-1.708	-0.705	1.359	0.733	0.15	-0.836	-0.444	0.51	-0.164	0.14	-0.007	0.002	0.076	-0.234	-0.125	1488.669	89.624	-5.853	2.703	-15.018	-8.424	20.569	-1.29	-6.186	1.635	1.962	2.593	-4.336	-3.33	3.909	2.991	-0.335	-4.346	-2.807	3.311	2.76	0.448	-2.907	-0.675	1.957	-0.07	0.129	-0.612	0.375	0.761	-0.964	-0.416
ZINC03815326	630	34.928	-3.568	0.269	-4.919	-2.895	5.278	0.143	-1.325	0.943	-0.26	-1.167	-0.22	0.942	0.016	0.87	-0.584	-1.813	1.07	1.209	-0.356	0.208	-1.088	-0.108	0.943	0.102	0.047	-0.316	-0.468	0.025	0.627	-0.255	231.477	19.916	-2.352	-1.296	-3.45	0.722	3.901	-1.693	-1.853	0.657	0.409	0.809	-1.125	-0.591	0.844	0.338	-0.008	-0.721	-0.031	0.464	0.124	-0.066	-0.465	0.103	0.381	0.015	-0.158	-0.166	-0.024	0.284	-0.102	-0.196	260.493	20.701	-2.062	-0.999	-3.166	0.019	3.49	-0.981	-1.5	0.649	0.396	0.099	-0.76	-0.125	0.611	0.358	-0.229	-0.802	0.262	0.478	-0.017	-0.041	-0.514	0.074	0.435	-0.018	-0.092	-0.148	-0.075	0.159	0.011	-0.108	619.772	34.588	-3.421	0.29	-5.038	-2.729	5.461	0.02	-1.476	0.911	-0.198	-0.93	-0.349	0.785	0.145	0.864	-0.535	-1.774	0.935	1.199	-0.273	0.18	-1.062	-0.131	0.936	0.102	0.031	-0.308	-0.445	0.07	0.57	-0.292	292.423	22.006	-2.043	-0.886	-3.154	-0.448	3.473	-0.659	-1.362	0.665	0.335	-0.232	-0.589	0.108	0.49	0.388	-0.333	-0.893	0.428	0.53	-0.094	-0.014	-0.575	0.052	0.501	-0.022	-0.064	-0.153	-0.128	0.108	0.102	-0.086	796.495	40.319	-4.758	1.313	-6.024	-3.715	6.237	0.224	-1.348	1.095	-0.54	-1.357	-0.218	1.205	-0.113	1.104	-0.606	-2.238	1.238	1.549	-0.452	0.306	-1.265	-0.18	1.063	0.161	0.108	-0.383	-0.582	0.016	0.792	-0.372	1464.427	92.695	-8.297	-0.853	-14.888	-3.939	17.767	-2.466	-6.269	1.958	0.339	1.029	-2.806	-0.415	2.241	2.083	-0.466	-4.415	0.745	3.349	-0.006	0.058	-2.681	-0.371	2.641	0.17	-0.33	-0.681	-0.889	0.834	0.7	-1.103
ZINC03815341	666	34.699	-3.952	0.203	-5.082	-2.825	5.455	0.182	-1.33	0.872	-0.277	-0.895	-0.371	0.537	0.237	0.89	-0.477	-1.755	0.866	1.127	-0.251	0.168	-0.951	-0.076	0.925	0.052	-0.019	-0.274	-0.409	0.181	0.603	-0.269	260.801	20.774	-2.411	-1.387	-3.666	0.767	4.125	-1.887	-1.917	0.642	0.262	0.956	-1.175	-0.77	1.029	0.309	0.038	-0.804	-0.159	0.555	0.12	-0.04	-0.52	0.062	0.493	0.006	-0.199	-0.202	-0.031	0.397	-0.139	-0.237	277.11	20.999	-2.152	-1.021	-3.302	0.084	3.602	-1.095	-1.517	0.623	0.345	0.214	-0.821	-0.268	0.739	0.336	-0.186	-0.838	0.192	0.494	-0.01	-0.032	-0.51	0.064	0.474	-0.04	-0.109	-0.153	-0.061	0.225	-0.023	-0.127	667.168	34.769	-3.765	0.321	-5.335	-2.708	5.675	-0.006	-1.448	0.824	-0.246	-0.663	-0.523	0.351	0.391	0.904	-0.423	-1.735	0.686	1.136	-0.176	0.152	-0.933	-0.119	0.96	0.048	-0.05	-0.279	-0.386	0.27	0.537	-0.329	303.6	21.947	-2.186	-0.886	-3.229	-0.36	3.534	-0.73	-1.364	0.635	0.322	-0.118	-0.651	-0.029	0.599	0.363	-0.287	-0.907	0.381	0.515	-0.076	-0.016	-0.548	0.056	0.506	-0.045	-0.072	-0.147	-0.107	0.156	0.072	-0.092	845.457	40.048	-5.238	1.234	-6.217	-3.714	6.459	0.351	-1.355	0.999	-0.564	-1.026	-0.389	0.683	0.133	1.172	-0.485	-2.138	0.953	1.441	-0.295	0.241	-1.077	-0.133	1.036	0.11	0.004	-0.329	-0.507	0.224	0.783	-0.392	1774.764	97.99	-9.458	0.586	-17.604	-4.497	19.217	-3.846	-5.686	1.678	-0.795	2.066	-3.749	-2.247	3.64	2.066	-0.018	-4.604	-0.784	3.672	0.115	0.212	-2.571	-0.78	3.503	-0.023	-0.78	-0.874	-0.866	2.154	0.515	-1.544
ZINC03815394	741	38.401	-4.181	0.767	-5.648	-2.824	4.747	0.538	-0.868	0.865	-0.453	-1.088	0.273	1.061	0.002	0.948	-0.827	-1.876	1.061	1.417	-0.539	0.161	-0.963	-0.116	0.911	0.185	0.147	-0.398	-0.534	-0.014	0.763	-0.213	257.366	21.219	-2.393	-1.124	-3.634	0.879	3.852	-1.816	-1.804	0.643	0.391	0.721	-1.166	-0.457	0.742	0.356	-0.081	-0.707	0.068	0.401	0.095	-0.064	-0.419	0.133	0.307	0.06	-0.149	-0.194	-0.005	0.2	-0.047	-0.17	296.582	22.363	-2.114	-0.738	-3.511	0.142	3.408	-1.024	-1.411	0.614	0.369	0.017	-0.727	0.022	0.529	0.374	-0.337	-0.785	0.349	0.46	-0.072	-0.038	-0.475	0.092	0.38	0.038	-0.079	-0.185	-0.061	0.088	0.078	-0.077	725.513	37.871	-3.975	0.818	-5.735	-2.639	4.961	0.371	-1.045	0.827	-0.379	-0.871	0.106	0.919	0.116	0.923	-0.772	-1.823	0.942	1.389	-0.446	0.143	-0.942	-0.133	0.9	0.179	0.122	-0.39	-0.504	0.023	0.703	-0.249	336.644	23.92	-2.131	-0.568	-3.59	-0.345	3.357	-0.642	-1.238	0.621	0.294	-0.305	-0.504	0.259	0.42	0.409	-0.462	-0.878	0.504	0.544	-0.166	-0.013	-0.536	0.062	0.456	0.042	-0.046	-0.196	-0.121	0.044	0.178	-0.052	938.631	44.411	-5.659	1.787	-6.786	-3.625	5.474	0.762	-0.726	1.009	-0.801	-1.182	0.471	1.289	-0.108	1.209	-0.889	-2.357	1.189	1.836	-0.68	0.225	-1.079	-0.182	1.025	0.242	0.254	-0.483	-0.684	-0.016	0.955	-0.329	1670.43	98.515	-8.767	1.496	-16.718	-3.411	16.741	-2.141	-5.147	1.546	-0.12	0.813	-2.115	0.284	1.896	2.107	-1.086	-4.278	0.981	3.563	-0.274	0.029	-2.399	-0.324	2.391	0.436	-0.198	-0.95	-0.906	0.562	1.07	-0.944
ZINC03815277	741	36.799	-4.491	0.954	-5.519	-2.826	4.581	0.606	-1.002	0.625	-0.727	-1.454	-0.042	0.927	0	1.051	-0.852	-1.961	1.034	1.429	-0.483	0.123	-1.12	-0.181	0.851	0.18	0.102	-0.445	-0.56	0.034	0.787	-0.232	257.366	20.643	-2.412	-1.25	-3.656	0.969	3.859	-1.753	-1.819	0.678	0.384	0.674	-1.144	-0.539	0.803	0.375	-0.044	-0.732	0.074	0.441	0.123	-0.09	-0.467	0.111	0.275	0.065	-0.148	-0.193	-0.006	0.266	-0.03	-0.19	296.582	21.569	-2.189	-0.785	-3.52	0.211	3.385	-0.967	-1.426	0.635	0.315	-0.069	-0.742	-0.062	0.568	0.402	-0.317	-0.818	0.344	0.489	-0.04	-0.065	-0.526	0.077	0.343	0.047	-0.084	-0.19	-0.072	0.136	0.095	-0.097	725.513	36.346	-4.189	0.946	-5.681	-2.669	4.819	0.443	-1.188	0.618	-0.644	-1.231	-0.193	0.784	0.114	1.023	-0.799	-1.912	0.905	1.399	-0.391	0.098	-1.099	-0.204	0.845	0.179	0.079	-0.428	-0.529	0.075	0.728	-0.266	336.644	22.982	-2.256	-0.573	-3.578	-0.278	3.311	-0.587	-1.255	0.621	0.214	-0.416	-0.546	0.17	0.45	0.445	-0.449	-0.916	0.497	0.568	-0.132	-0.04	-0.592	0.049	0.415	0.05	-0.055	-0.206	-0.136	0.085	0.195	-0.072	938.631	42.637	-5.982	2.066	-6.622	-3.699	5.273	0.836	-0.944	0.636	-1.179	-1.691	0.009	1.138	-0.121	1.348	-0.94	-2.465	1.142	1.847	-0.615	0.18	-1.297	-0.288	0.957	0.232	0.192	-0.549	-0.712	0.042	0.984	-0.347	1670.43	95.258	-8.469	0.682	-17.071	-3.524	16.354	-1.634	-5.64	1.412	-0.548	0.069	-2.559	-0.142	1.992	2.281	-1.05	-4.501	0.868	3.578	-0.164	-0.143	-2.766	-0.525	2.267	0.499	-0.28	-0.954	-0.961	0.757	1.168	-0.97
ZINC03815156	496	27.689	-2.376	-0.121	-4.18	-2.47	5.393	-0.127	-1.339	0.114	0.44	-0.226	-0.902	0.243	1.032	0.794	-0.396	-1.562	0.254	1.451	-0.111	-0.077	-0.94	-0.067	1.199	-0.341	0.016	-0.096	0.098	0.024	0.013	-0.02	286.058	22.42	-2.592	-0.8	-3.938	1.195	3.682	-1.683	-1.668	0.279	0.607	1.233	-1.221	-1.127	1.608	0.415	0.255	-1.048	-0.359	1.072	-0.026	-0.334	-0.472	0.209	0.733	-0.309	-0.178	0.019	0.273	0.22	-0.283	-0.117	254.841	20.318	-2.033	-0.859	-3.342	0.203	3.671	-1.067	-1.555	0.363	0.569	0.714	-1.01	-0.609	1.222	0.417	-0.05	-1.013	-0.036	0.928	-0.116	-0.274	-0.521	0.228	0.693	-0.335	-0.154	0.046	0.22	0.161	-0.275	-0.045	504.154	28.311	-2.508	0.053	-4.419	-2.241	5.449	-0.227	-1.448	0.107	0.439	-0.024	-0.993	0.074	1.172	0.784	-0.309	-1.563	0.141	1.483	-0.05	-0.111	-0.914	-0.083	1.181	-0.315	-0.008	-0.089	0.095	0.063	0.003	-0.059	275.888	20.726	-1.975	-0.776	-3.266	-0.114	3.594	-0.809	-1.386	0.305	0.604	0.409	-0.885	-0.418	1.141	0.45	-0.15	-1.051	0.048	0.967	-0.168	-0.238	-0.567	0.2	0.754	-0.363	-0.103	0.041	0.198	0.108	-0.221	-0.016	613.593	31.209	-3.009	0.714	-4.935	-3.342	6.284	0.055	-1.34	0.024	0.322	-0.331	-1.057	0.414	1.118	0.922	-0.397	-1.831	0.246	1.72	-0.033	-0.018	-1.061	-0.201	1.356	-0.31	0.055	-0.14	0.074	0.021	0.068	-0.036	1498.669	92.923	-9.165	0.492	-16.283	-2.03	16.699	-3.226	-5.67	0.151	1.481	2.768	-4.09	-2.029	5.312	2.025	0.2	-4.611	-0.821	4.834	0.025	-0.8	-2.51	-0.166	3.536	-0.794	-0.422	-0.161	0.307	0.721	-0.28	-0.562
ZINC03815244	630	33.242	-3.803	0.654	-4.973	-2.147	4.924	0.311	-1.531	1.138	-0.21	-0.883	-0.351	0.974	-0.086	0.88	-0.565	-1.652	0.855	1.225	-0.336	0.089	-0.986	-0.179	0.831	0.157	0.009	-0.323	-0.443	0.035	0.622	-0.285	375.512	22.797	-3.472	0.187	-3.726	1.206	3.443	-0.768	-2.588	1.336	0.11	1.003	-1.339	-0.18	0.008	0.511	0.052	-0.673	-0.143	0.432	0.025	-0.044	-0.277	-0.119	0.487	0.193	0.049	-0.485	0.219	0.131	0.035	-0.294	284.056	20.747	-2.357	-0.627	-3.247	0.276	3.342	-0.816	-1.652	0.805	0.345	0.195	-0.84	-0.046	0.462	0.382	-0.205	-0.776	0.206	0.463	-0.041	-0.045	-0.458	0.034	0.434	0.022	-0.064	-0.199	-0.014	0.152	0.026	-0.121	627.737	33.057	-3.72	0.73	-5.102	-1.982	5.1	0.203	-1.706	1.123	-0.171	-0.643	-0.493	0.835	0.007	0.883	-0.52	-1.612	0.724	1.221	-0.266	0.073	-0.963	-0.199	0.835	0.162	0.007	-0.328	-0.414	0.078	0.568	-0.317	325.163	21.96	-2.472	-0.339	-3.281	-0.068	3.26	-0.422	-1.59	0.881	0.274	-0.098	-0.71	0.22	0.284	0.428	-0.308	-0.842	0.332	0.517	-0.119	-0.022	-0.5	-0.004	0.484	0.036	-0.034	-0.216	-0.053	0.1	0.115	-0.101	790.274	38.193	-4.926	1.674	-6.044	-2.773	5.788	0.437	-1.588	1.323	-0.461	-0.999	-0.356	1.224	-0.223	1.12	-0.596	-2.018	0.954	1.587	-0.415	0.134	-1.143	-0.27	0.915	0.226	0.05	-0.384	-0.577	0.027	0.795	-0.417	1540.679	88.624	-9.412	1.225	-15.192	-2.186	16.549	-1.83	-6.903	2.694	0.028	1.786	-3.234	-0.054	1.506	2.22	-0.439	-3.971	0.299	3.349	-0.078	-0.111	-2.367	-0.568	2.502	0.39	-0.228	-0.901	-0.683	0.797	0.767	-1.131
ZINC00020645	630	33.711	-3.874	0.705	-5.123	-1.87	4.691	0.239	-1.192	1.007	-0.109	-0.981	-0.188	0.812	0.189	0.8	-0.453	-1.773	0.897	1.269	-0.338	0.073	-1.016	-0.194	0.843	0.145	0.009	-0.272	-0.489	0.033	0.608	-0.267	294.357	22.265	-2.76	-0.677	-3.793	1.653	3.115	-1.733	-1.562	0.433	0.689	0.689	-0.98	-0.686	0.987	0.381	0.055	-0.746	-0.262	0.762	0.042	-0.028	-0.483	0.038	0.508	-0.019	-0.009	-0.187	0.008	0.223	-0.054	-0.146	279.512	21.112	-2.292	-0.727	-3.347	0.507	3.154	-0.982	-1.374	0.597	0.494	0.117	-0.726	-0.172	0.679	0.342	-0.177	-0.806	0.175	0.573	-0.052	-0.045	-0.504	0.047	0.454	-0.02	-0.054	-0.142	-0.056	0.152	0.015	-0.088	631.026	33.657	-3.841	0.853	-5.29	-1.607	4.788	0.115	-1.304	0.966	-0.04	-0.767	-0.302	0.646	0.337	0.795	-0.388	-1.758	0.758	1.282	-0.27	0.057	-1.001	-0.222	0.85	0.148	0.01	-0.27	-0.468	0.077	0.553	-0.292	313.193	22.291	-2.346	-0.542	-3.389	0.165	3.068	-0.639	-1.215	0.623	0.448	-0.193	-0.552	0.046	0.576	0.359	-0.26	-0.896	0.328	0.632	-0.128	-0.031	-0.559	0.013	0.505	-0.016	-0.034	-0.14	-0.111	0.102	0.1	-0.064	794.296	38.756	-5.088	1.844	-6.235	-2.404	5.482	0.381	-1.184	1.2	-0.354	-1.123	-0.158	1.029	0.118	1.022	-0.442	-2.188	1.012	1.62	-0.415	0.113	-1.174	-0.298	0.926	0.224	0.049	-0.328	-0.631	0.025	0.778	-0.397	1613.725	92.423	-10.456	2.74	-16.249	0.236	14.706	-2.353	-5.235	1.63	1.03	1.007	-2.395	-0.818	2.997	1.981	-0.019	-4.439	0.04	3.88	-0.2	-0.054	-2.566	-0.706	2.691	0.285	-0.095	-0.698	-0.877	0.753	0.696	-0.943
ZINC03815402	780	37.977	-4.125	0.929	-5.993	-2.581	4.928	0.401	-1.315	0.726	-0.385	-1.065	-0.14	0.656	0.387	0.58	-0.554	-2.083	0.938	1.632	-0.326	-0.114	-1.149	-0.174	1.03	0.35	-0.052	-0.37	-0.519	0.139	0.813	-0.258	288.247	21.5	-2.509	-1.327	-3.976	1.062	4.149	-1.923	-1.987	0.661	0.256	0.963	-1.248	-0.732	1.161	0.292	0.05	-0.857	-0.039	0.633	0.125	-0.074	-0.536	0.106	0.578	-0.003	-0.191	-0.159	0.032	0.378	-0.129	-0.223	314.29	21.58	-2.226	-0.771	-3.708	0.297	3.526	-1.033	-1.535	0.63	0.265	0.18	-0.808	-0.213	0.855	0.243	-0.175	-0.904	0.258	0.601	-0.019	-0.072	-0.562	0.062	0.546	0.018	-0.114	-0.154	-0.056	0.227	0.037	-0.092	776.736	38.173	-4.191	0.911	-6.119	-2.413	5.229	0.227	-1.55	0.655	-0.276	-0.845	-0.312	0.517	0.537	0.59	-0.474	-2.072	0.812	1.666	-0.258	-0.127	-1.127	-0.18	1.059	0.358	-0.08	-0.376	-0.451	0.193	0.727	-0.302	348.621	22.546	-2.166	-0.515	-3.745	-0.193	3.386	-0.628	-1.325	0.636	0.195	-0.174	-0.597	0.028	0.715	0.238	-0.29	-0.989	0.42	0.643	-0.085	-0.071	-0.621	0.029	0.578	0.042	-0.084	-0.164	-0.133	0.169	0.159	-0.054	991.723	44.715	-5.608	2.137	-7.177	-3.392	5.753	0.596	-1.388	0.789	-0.641	-1.225	-0.085	0.822	0.298	0.778	-0.581	-2.581	1.039	2.126	-0.417	-0.142	-1.316	-0.259	1.162	0.495	-0.035	-0.452	-0.661	0.154	1.043	-0.406	1875.764	103.058	-10.551	0.579	-18.23	-2.709	18.002	-2.675	-6.646	1.316	-0.05	1.378	-3.193	-0.967	3.689	1.404	-0.217	-5.295	0.58	4.726	0.046	-0.482	-2.978	-0.352	3.399	0.703	-0.672	-0.866	-0.65	1.287	0.847	-1.147
ZINC03815336	741	34.998	-5.687	0.36	-5.798	-2.639	5.464	0.023	-1.692	0.773	0.068	-1.085	0.007	0.661	0.105	0.865	-0.37	-2.006	0.979	1.066	-0.258	0.107	-1.132	-0.157	0.801	0.058	-0.047	-0.327	-0.375	0.035	0.786	-0.382	367.883	24.602	-4.934	-0.88	-4.085	0.471	4.692	-1.889	-2.49	0.784	0.507	0.69	-0.828	-0.807	0.948	0.52	0.234	-1.011	0.048	0.346	0.171	-0.029	-0.626	0.095	0.481	-0.002	-0.295	-0.154	0.044	0.282	0.204	-0.471	325.207	21.851	-2.901	-0.937	-3.741	0.283	3.737	-1.212	-1.654	0.625	0.487	0.101	-0.706	-0.217	0.685	0.377	-0.152	-0.899	0.262	0.381	0.023	-0.086	-0.529	0.099	0.363	0.02	-0.123	-0.175	0.006	0.134	0.14	-0.181	784.212	35.937	-6.756	0.519	-6.028	-2.848	5.942	-0.147	-2.076	0.749	0.184	-0.911	0.028	0.466	0.227	0.934	-0.172	-2.094	0.943	1.036	-0.18	0.158	-1.189	-0.183	0.891	0.026	-0.105	-0.318	-0.349	0.104	0.804	-0.506	331.786	22.315	-2.566	-0.868	-3.59	-0.075	3.538	-0.845	-1.42	0.642	0.444	-0.23	-0.59	0.06	0.527	0.384	-0.327	-0.945	0.416	0.433	-0.075	-0.073	-0.547	0.073	0.383	0.01	-0.072	-0.173	-0.057	0.076	0.184	-0.108	982.485	41.082	-8.682	1.471	-7.095	-3.867	6.654	0.133	-2.037	0.861	-0.021	-1.319	0.252	0.825	-0.058	1.173	-0.187	-2.602	1.227	1.358	-0.337	0.258	-1.412	-0.264	1.001	0.034	-0.062	-0.389	-0.495	0.07	1.037	-0.616	2970.185	154.94	-64.608	9.585	-8.82	-21.549	26.494	0.361	-17.657	6.255	3.101	-4.971	4.442	-1.228	-0.281	5.913	2.76	-9.604	5.442	1.538	-1.755	3.481	-5.502	-1.179	6.181	-2.387	-2.217	1.397	-1.749	1.015	4.229	-5.067
ZINC00023489	406	22.929	-2.686	2.075	-4.889	-0.481	2.68	-0.537	-0.219	0.427	0.529	-0.415	-1.083	0.128	0.571	0.343	-0.013	-1.392	0.58	1.063	-0.513	0.223	-0.781	0.02	0.736	-0.614	-0.077	0.004	0.023	0.017	0.052	-0.117	273.461	17.384	-2.887	0.812	-4.471	3.702	2.575	-1.52	-1.04	0.817	0.311	1.064	-1.329	-0.945	1.175	-0.082	0.554	-1.002	-0.13	1.198	-0.362	0.026	-0.307	0.037	0.661	-0.627	-0.35	0.092	0.13	0.181	-0.313	-0.192	217.857	17.264	-2.46	0.412	-3.79	1.986	2.365	-1.299	-0.858	0.628	0.52	0.513	-1.176	-0.436	0.89	0.011	0.187	-1.043	0.283	0.871	-0.362	0.025	-0.417	0.184	0.482	-0.465	-0.228	0.098	0.103	0.086	-0.222	-0.131	435.713	23.426	-3.026	2.556	-5.286	-0.105	2.712	-0.517	-0.241	0.502	0.432	-0.227	-1.226	-0.07	0.702	0.318	0.142	-1.368	0.38	1.127	-0.476	0.233	-0.743	-0.048	0.802	-0.681	-0.145	0.025	0.031	0.086	-0.001	-0.168	221.425	17.46	-2.421	0.45	-3.633	1.63	2.158	-1.103	-0.7	0.452	0.657	0.18	-1.036	-0.236	0.759	0.08	0.057	-1.067	0.429	0.844	-0.404	0.03	-0.46	0.223	0.46	-0.453	-0.168	0.081	0.089	0.024	-0.15	-0.102	489.803	24.911	-3.057	3.029	-5.541	-1.174	2.799	-0.325	0.063	0.425	0.495	-0.654	-1.136	0.248	0.509	0.463	0.013	-1.503	0.594	1.134	-0.56	0.282	-0.867	-0.064	0.833	-0.695	-0.07	-0.008	0.012	0.036	0.104	-0.122	1876.331	72.697	-15.092	20.793	-23.741	8.09	9.732	-1.486	-0.42	3.259	-1.092	3.788	-5.164	-4.03	4.61	0.262	2.901	-3.413	-2.816	5.452	-0.888	1.24	-1.923	-1.642	3.977	-3.302	-1.538	-0.269	0.526	0.672	-1.146	-1.215
ZINC00007342	435	23.608	-3.166	2.268	-5.004	-1.199	2.763	-0.39	0.002	0.424	0.763	-0.592	-1.092	0.207	0.426	0.267	-0.025	-1.475	0.441	1.098	-0.508	0.232	-0.612	-0.065	0.649	-0.484	-0.1	-0.035	0.028	-0.075	0.062	-0.064	271.706	17.34	-2.878	0.849	-4.441	3.699	2.447	-1.512	-1.048	0.719	0.403	0.979	-1.315	-0.871	1.02	-0.063	0.563	-0.997	-0.12	1.148	-0.397	0.059	-0.248	0.019	0.587	-0.622	-0.309	0.029	0.125	0.157	-0.257	-0.187	224.374	17.388	-2.466	0.48	-3.805	1.913	2.331	-1.268	-0.839	0.547	0.612	0.442	-1.181	-0.385	0.766	-0.007	0.226	-1.053	0.273	0.868	-0.372	0.041	-0.343	0.156	0.439	-0.441	-0.216	0.053	0.098	0.085	-0.208	-0.113	459.052	23.979	-3.369	2.759	-5.376	-0.838	2.724	-0.362	0.002	0.498	0.663	-0.433	-1.222	0.025	0.531	0.279	0.107	-1.459	0.256	1.135	-0.475	0.271	-0.588	-0.136	0.705	-0.554	-0.151	-0.019	0.032	-0.024	0.022	-0.111	233.254	17.786	-2.471	0.522	-3.676	1.51	2.175	-1.07	-0.685	0.383	0.767	0.112	-1.054	-0.197	0.656	0.044	0.112	-1.082	0.403	0.863	-0.414	0.028	-0.381	0.189	0.423	-0.418	-0.173	0.041	0.082	0.028	-0.148	-0.08	530.864	26.055	-3.702	3.286	-5.796	-2.192	2.939	-0.117	0.389	0.485	0.748	-0.858	-1.151	0.312	0.381	0.374	-0.022	-1.641	0.376	1.199	-0.541	0.305	-0.659	-0.204	0.734	-0.515	-0.108	-0.043	0.019	-0.09	0.114	-0.072	1878.831	74.039	-16.029	21.204	-23.446	6.496	9.171	-1.258	-0.033	3.054	-0.228	3	-5.167	-3.644	3.531	0.622	2.558	-3.797	-2.819	5.108	-1.162	1.714	-1.788	-1.891	3.666	-3.296	-1.307	-0.571	0.393	0.407	-0.88	-1.004
ZINC03815231	528	28.033	-3.027	3.016	-5.433	-1.007	2.407	-0.284	-0.186	0.397	0.45	-0.807	-0.666	0.22	0.61	0.076	-0.105	-1.615	0.487	1.481	-0.474	-0.035	-0.736	-0.061	0.811	-0.024	0.005	-0.211	-0.058	0.013	0.129	0.097	299.866	17.309	-2.742	0.985	-4.768	4.178	2.338	-1.663	-1.058	0.809	0.476	0.907	-1.289	-0.855	1.161	-0.106	0.509	-1.185	-0.052	1.199	-0.454	-0.03	-0.232	-0.009	0.718	-0.572	-0.285	0.144	0.032	0.281	-0.349	-0.168	257.991	17.879	-2.312	0.799	-4.137	2.194	2.187	-1.29	-0.853	0.608	0.562	0.394	-1.064	-0.368	0.901	-0.076	0.212	-1.175	0.312	0.964	-0.39	-0.018	-0.385	0.129	0.543	-0.338	-0.201	0.066	0.031	0.155	-0.233	-0.077	550.71	27.674	-3.374	3.499	-5.747	-0.581	2.411	-0.272	-0.27	0.442	0.454	-0.675	-0.826	0.103	0.69	0.063	0.029	-1.643	0.319	1.543	-0.477	-0.023	-0.679	-0.16	0.883	-0.079	-0.029	-0.179	-0.063	0.095	0.06	0.065	272.971	18.663	-2.211	0.937	-4.072	1.729	2.004	-1.045	-0.663	0.439	0.64	0.063	-0.879	-0.198	0.799	-0.043	0.092	-1.175	0.429	0.97	-0.407	-0.024	-0.449	0.169	0.525	-0.282	-0.164	0.024	0.016	0.084	-0.144	-0.035	647.939	32.046	-3.761	4.2	-6.128	-2.019	2.5	-0.012	0.064	0.431	0.363	-1.138	-0.61	0.329	0.56	0.143	-0.117	-1.8	0.437	1.706	-0.501	-0.06	-0.783	-0.184	0.911	0.095	0.048	-0.285	-0.067	0.009	0.21	0.143	1983.248	69.673	-11.458	19.746	-22.473	7.744	8.773	-2.027	-0.821	2.806	0.309	2.019	-5.058	-1.837	3.38	-0.336	1.739	-5.074	-1.736	5.364	-1.689	0.29	-1.393	-2.032	3.826	-1.419	-0.642	-0.105	-0.545	1.209	-0.759	-0.327
ZINC03815295	630	32.301	-4.405	2.892	-6.183	-0.821	1.987	-0.436	0.109	0.103	-0.129	-0.931	-0.262	-0.004	0.697	0.013	-0.155	-2.106	0.772	1.677	-0.66	-0.011	-0.825	0.036	0.757	0.025	-0.067	-0.341	-0.13	0.038	0.138	0.207	329.392	17.607	-2.926	1.101	-5.082	4.386	2.258	-1.818	-0.94	0.94	0.376	0.709	-1.363	-0.844	1.375	-0.11	0.443	-1.339	0.027	1.165	-0.57	-0.036	-0.242	0.011	0.712	-0.543	-0.248	0.193	-0.081	0.308	-0.449	-0.017	293.939	18.301	-2.568	1.026	-4.589	2.336	2.076	-1.4	-0.74	0.655	0.361	0.291	-1.038	-0.391	1.063	-0.113	0.174	-1.319	0.404	0.999	-0.498	0.001	-0.413	0.14	0.548	-0.338	-0.197	0.052	-0.048	0.145	-0.296	0.048	650.684	31.684	-4.805	3.383	-6.448	-0.399	2.015	-0.445	-0.045	0.164	-0.07	-0.824	-0.445	-0.072	0.779	-0.003	-0.009	-2.108	0.607	1.719	-0.675	-0.011	-0.756	-0.063	0.846	-0.021	-0.12	-0.298	-0.132	0.123	0.037	0.199	315.791	19.474	-2.468	1.175	-4.639	1.859	1.863	-1.127	-0.501	0.441	0.374	-0.008	-0.808	-0.247	0.957	-0.092	0.053	-1.349	0.528	1.028	-0.503	0.014	-0.495	0.186	0.51	-0.272	-0.162	-0.009	-0.055	0.061	-0.184	0.075	776.678	38.234	-5.914	3.819	-6.723	-1.798	1.971	-0.214	0.345	0.026	-0.3	-1.313	-0.042	0.023	0.569	0.08	-0.152	-2.443	0.826	1.973	-0.769	-0.034	-0.86	-0.048	0.852	0.144	-0.063	-0.444	-0.134	0.059	0.239	0.259	2213.054	74.537	-16.042	19.094	-24.789	7.828	7.712	-2.836	-0.17	2.362	-0.914	0.933	-4.482	-1.572	4.04	-0.286	1.504	-5.995	-0.972	5.205	-1.852	0.073	-1.582	-1.717	3.821	-0.818	-1.01	-0.369	-1.006	1.431	-1.186	0.352
ZINC03815257	861	38.076	-4.708	1.746	-7.106	-1.574	3.176	-0.535	-0.471	-0.434	0.457	-1.18	-0.304	0.365	0.747	0.002	-0.15	-2.003	0.771	2.072	-1.115	-0.069	-0.847	-0.222	0.987	0.206	-0.009	-0.342	-0.241	-0.127	0.229	0.458	465.346	21.886	-4.736	0.139	-5.913	3.892	3.694	-2.232	-1.499	1.023	0.36	1.044	-1.368	-1.01	1.269	-0.378	0.649	-1.053	-0.05	1.165	-0.764	0.009	-0.223	-0.063	0.637	-0.479	-0.101	0.228	-0.06	0.134	-0.499	0.042	397.833	21.485	-3.159	0.305	-5.003	2.007	3.051	-1.61	-0.941	0.591	0.48	0.257	-1.118	-0.385	1.116	-0.23	0.225	-1.185	0.373	1.121	-0.678	-0.006	-0.395	0.046	0.574	-0.257	-0.114	0.091	-0.094	0.051	-0.29	0.078	907.659	39.031	-5.82	2.116	-7.575	-1.182	3.489	-0.602	-0.83	-0.362	0.502	-1.034	-0.432	0.216	0.867	-0.079	0.042	-1.996	0.572	2.114	-1.132	-0.08	-0.775	-0.287	1.018	0.195	-0.044	-0.299	-0.221	-0.068	0.106	0.472	414.979	22.336	-2.851	0.438	-4.923	1.412	2.63	-1.301	-0.603	0.374	0.531	-0.102	-0.892	-0.187	0.992	-0.19	0.083	-1.212	0.527	1.173	-0.691	0.002	-0.482	0.057	0.574	-0.186	-0.079	0.016	-0.108	-0.023	-0.147	0.121	1069.311	44.944	-6.437	2.461	-7.917	-2.62	3.283	-0.292	-0.497	-0.676	0.466	-1.568	-0.059	0.505	0.603	0.092	-0.118	-2.339	0.83	2.459	-1.355	-0.092	-0.888	-0.355	1.131	0.386	0.008	-0.479	-0.25	-0.15	0.353	0.612	3366.107	107.165	-33.04	11.999	-30.804	4.165	17.092	-5.36	-6.572	-0.094	-0.956	1.154	-2.909	-2.459	4.207	-1.854	1.619	-4.868	-1.414	6.115	-3.012	-0.358	-1.859	-1.633	3.155	-0.143	-0.201	0.104	-0.758	0.581	-1.384	1.55
ZINC03815345	990	32.354	-1.396	1.267	-7.151	-2.874	4.446	0.36	-0.162	0.107	-0.239	-1.216	0.265	-0.134	1.032	0.849	-0.654	-1.771	-0.01	1.964	-0.339	-0.187	-0.582	-0.055	0.614	0.258	0.424	-0.557	-0.331	0.178	0.458	-0.472	546.732	12.157	-2.294	-0.32	-5.099	1.507	4.198	-2.127	-0.927	0.131	0.796	0.52	-0.97	-0.676	0.88	0.17	0.347	-1.164	-0.542	0.996	-0.459	0.254	-0.217	0.009	0.382	-0.021	-0.215	-0.2	0.069	0.285	-0.035	-0.01	442.798	17.42	-1.825	0.028	-4.427	0.353	3.505	-1.316	-0.77	0.338	0.71	0.25	-0.748	-0.387	0.845	0.174	0.086	-1.067	-0.109	0.843	-0.308	0.011	-0.402	0.072	0.479	-0.027	-0.039	-0.227	0.054	0.152	-0.033	-0.137	1023.976	31.6	-1.564	1.684	-7.535	-2.873	4.904	0.138	-0.359	0.234	-0.197	-1.123	0.149	-0.273	1.102	0.823	-0.587	-1.805	-0.165	1.943	-0.276	-0.133	-0.547	-0.088	0.561	0.304	0.406	-0.558	-0.274	0.181	0.412	-0.446	484.092	18.191	-1.789	0.235	-4.487	0.11	3.118	-0.946	-0.435	0.178	0.666	-0.133	-0.56	-0.196	0.84	0.223	-0.034	-1.093	-0.034	0.996	-0.404	0.028	-0.458	0.092	0.528	-0.019	-0.01	-0.234	-0.021	0.134	0.056	-0.158	1270.994	38.801	-1.743	2.145	-8.642	-4.159	5.374	0.634	-0.01	0.124	-0.733	-1.656	0.548	-0.283	1.24	1.196	-0.904	-2.15	-0.191	2.495	-0.261	-0.239	-0.551	-0.168	0.555	0.438	0.627	-0.665	-0.456	0.2	0.61	-0.634	3376.396	73.909	-2.51	9.64	-25.915	-9.445	20.771	-2.621	-5.023	2.1	-0.68	-0.94	-1.128	-2.532	3.586	1.606	-0.786	-5.456	-1.909	4.197	0.409	-0.564	-0.772	-0.434	0.888	1.297	0.765	-2.205	0.248	1.105	0.018	-0.477
ZINC03815368	1275	45.412	-1.774	0.142	-8.533	-3.689	6.151	1.9	0.185	-0.573	-0.93	-0.63	0.853	0.52	1.015	0.825	-1.209	-2.029	0.773	1.966	-0.559	-0.38	-0.898	-0.434	0.64	0.32	0.698	-0.808	-0.802	0.332	1.13	-0.517	445.495	22.971	-2.064	-0.307	-4.751	0.307	5.357	-2.117	-1.947	0.901	0.737	1.556	-1.44	-0.7	1.072	0.347	0.022	-0.802	0.079	0.471	-0.19	0.041	-0.628	-0.021	0.145	0.038	0.065	-0.426	0.222	0.247	-0.117	-0.093	485.975	23.773	-1.08	-0.089	-4.874	-0.136	4.383	-1.104	-1.174	0.38	0.641	0.684	-0.96	-0.047	0.974	0.302	-0.284	-0.929	0.352	0.664	-0.303	0.02	-0.658	-0.041	0.3	0.02	0.144	-0.381	0.015	0.18	0.134	-0.144	1269.36	44.817	-1.754	0.626	-8.882	-3.786	6.694	1.612	-0.171	-0.397	-0.848	-0.389	0.611	0.317	1.102	0.816	-1.13	-1.921	0.633	1.857	-0.453	-0.304	-0.931	-0.467	0.603	0.34	0.659	-0.82	-0.68	0.302	0.987	-0.467	542.807	25.778	-0.907	0.023	-5.058	-0.577	4.153	-0.55	-0.856	0.165	0.502	0.292	-0.649	0.229	0.94	0.306	-0.474	-1.037	0.495	0.816	-0.368	-0.018	-0.704	-0.049	0.387	0.036	0.207	-0.401	-0.115	0.181	0.293	-0.178	1645.061	54.408	-2.805	0.235	-10.265	-5.024	7.473	2.656	0.681	-0.744	-1.627	-0.829	1.409	0.378	1.178	1.176	-1.469	-2.492	0.75	2.527	-0.62	-0.539	-0.892	-0.663	0.645	0.495	0.926	-0.983	-1.048	0.406	1.423	-0.69	3536.275	123.477	-4.412	10.74	-28.458	-12.141	25.649	-0.901	-5.657	1.965	-2.534	3.308	-1.093	-1.953	3.424	1.87	-2.497	-3.582	0.252	3.259	0.676	-0.656	-3.187	-1.198	0.53	0.979	1.351	-2.887	0.008	0.434	0.318	-0.126
ZINC03815234	351	22.138	-2.639	-0.339	-3.187	-1.018	3.728	-0.117	-1.113	-0.149	0.23	0.598	-0.355	-0.294	0.588	0.772	-0.226	-0.872	-0.123	1.037	-0.061	-0.203	-0.454	-0.302	0.685	-0.136	0.057	-0.24	-0.133	0.19	0.11	0.003	418.967	19.815	-5.031	0.003	-4.129	3.889	2.329	-0.895	-1.892	0.53	0.14	2.046	-0.848	-1.115	0.086	1.116	0.11	-0.724	-0.442	0.975	-0.292	-0.614	0.154	-0.226	0.54	-0.159	0.104	-0.224	0.078	0.222	-0.198	-0.048	221.824	16.876	-2.729	-0.56	-2.726	0.865	2.522	-0.647	-1.255	0.165	0.252	0.981	-0.543	-0.719	0.618	0.598	0.034	-0.675	-0.243	0.734	-0.076	-0.302	-0.229	-0.057	0.465	-0.17	-0.045	-0.087	-0.005	0.261	-0.131	-0.051	365.535	22.947	-2.958	-0.301	-3.473	-0.793	3.873	-0.164	-1.228	-0.169	0.262	0.786	-0.422	-0.419	0.626	0.829	-0.171	-0.867	-0.238	1.091	-0.038	-0.233	-0.435	-0.334	0.687	-0.11	0.045	-0.256	-0.137	0.235	0.092	-0.013	256.96	17.264	-3.203	-0.367	-2.696	1.05	2.223	-0.512	-1.032	0.143	0.19	0.84	-0.41	-0.591	0.451	0.71	-0.079	-0.721	-0.143	0.773	-0.153	-0.339	-0.179	-0.094	0.473	-0.201	0.013	-0.088	-0.039	0.216	-0.098	0.007	418.946	25.219	-2.962	-0.117	-3.731	-1.641	4.474	-0.011	-1.212	-0.267	0.237	0.672	-0.404	-0.259	0.639	0.872	-0.236	-0.957	-0.207	1.219	-0.023	-0.176	-0.499	-0.451	0.761	-0.081	0.076	-0.318	-0.165	0.212	0.17	0.003	1131.188	75.317	-10.426	-1.471	-13.871	0.395	13.644	-1.708	-5.647	-0.311	0.957	4.881	-2.343	-2.97	2.658	2.853	0.249	-2.616	-1.866	3.757	0.181	-1.05	-1.357	-0.954	2.212	-0.114	-0.189	-0.854	-0.351	1.22	0.028	-0.353
ZINC03815200	465	27.412	-1.921	-0.112	-4.317	-1.835	4.22	0.533	-1.929	0.473	0.363	0.996	-0.596	-0.237	0.963	0.624	-0.459	-1.464	-0.083	1.181	-0.304	-0.248	-0.941	-0.266	1.056	-0.107	-0.054	-0.532	0.106	0.379	-0.111	-0.152	377.151	19.732	-4.805	-1.564	-3.812	1.843	4.066	-0.737	-2.895	1.077	-0.505	2.172	-1.091	-0.806	1.458	0.71	0.102	-1.233	-0.469	1.085	0.154	-0.225	-0.598	-0.286	0.714	-0.274	-0.171	-0.601	0.468	0.39	-0.408	-0.32	245.923	19.221	-2.08	-0.724	-3.293	0.404	3.462	-0.776	-1.863	0.644	0.169	1.248	-0.948	-0.684	1.119	0.32	0.058	-1.023	-0.16	0.801	-0.144	-0.164	-0.649	0.046	0.697	-0.297	-0.167	-0.212	0.193	0.371	-0.318	-0.182	486.79	29.268	-2.595	-0.219	-4.531	-1.655	4.603	0.426	-2.279	0.542	0.399	1.193	-0.697	-0.375	1.087	0.653	-0.358	-1.491	-0.247	1.278	-0.205	-0.297	-0.941	-0.258	1.037	-0.051	-0.077	-0.619	0.151	0.47	-0.176	-0.156	261.486	18.607	-1.9	-0.518	-3.221	0.079	3.099	-0.437	-1.67	0.603	0.124	1.05	-0.813	-0.428	0.976	0.352	-0.08	-1.01	-0.064	0.793	-0.227	-0.149	-0.651	-0.02	0.709	-0.296	-0.128	-0.211	0.168	0.288	-0.252	-0.181	572.931	31.6	-2.647	0.406	-4.982	-2.529	4.779	0.946	-2.116	0.433	0.486	1.123	-0.561	-0.223	1.018	0.749	-0.56	-1.652	-0.233	1.401	-0.308	-0.318	-1.001	-0.443	1.161	0.037	-0.04	-0.712	0.113	0.447	-0.099	-0.14	1477.513	96.175	-12.86	-2.029	-15.305	-1.333	17.776	-1.732	-9.418	2.498	0.053	6.387	-3.341	-3.155	4.694	1.812	0.165	-4.404	-2.058	4.245	0.369	-0.975	-2.755	-0.491	2.988	-0.002	-0.564	-2.18	0.851	2.184	-0.963	-0.498
ZINC00006271	496	27.455	-2.365	1.098	-4.579	-2.283	4.842	-0.119	-1.783	0.717	0.349	0.387	-0.528	-0.327	1.044	0.689	-0.709	-1.41	0.321	1.364	-0.263	-0.074	-0.998	-0.216	1.255	-0.137	-0.074	-0.254	0.036	0.243	-0.044	-0.232	365.969	21.464	-3.402	0.964	-4.326	1.679	3.892	-0.591	-3.111	1.176	-0.189	2.4	-1.528	-0.829	0.652	0.318	0.276	-1.125	-0.268	1.055	-0.072	-0.299	-0.546	-0.03	0.611	0.019	-0.022	-0.383	0.482	0.234	-0.306	-0.272	259.177	20.068	-2.089	-0.192	-3.468	0.398	3.674	-0.923	-1.918	0.702	0.302	1.154	-1.043	-0.777	1.108	0.339	-0.05	-1.059	-0.03	0.906	-0.165	-0.228	-0.627	0.147	0.746	-0.281	-0.215	-0.099	0.219	0.291	-0.295	-0.161	501.222	28.136	-2.545	1.144	-4.779	-2.069	4.999	-0.192	-1.936	0.764	0.34	0.585	-0.612	-0.426	1.095	0.709	-0.641	-1.391	0.203	1.406	-0.204	-0.099	-0.977	-0.25	1.245	-0.1	-0.095	-0.263	0.05	0.287	-0.072	-0.253	287.105	20.268	-2.085	0.126	-3.438	-0.003	3.603	-0.649	-1.86	0.698	0.282	0.979	-0.966	-0.567	0.962	0.386	-0.163	-1.092	0.076	0.918	-0.217	-0.194	-0.668	0.127	0.761	-0.262	-0.161	-0.119	0.212	0.232	-0.242	-0.148	610.066	31.281	-2.985	1.921	-5.396	-3.085	5.477	0.035	-1.839	0.798	0.357	0.308	-0.437	-0.268	1.102	0.847	-0.894	-1.539	0.322	1.608	-0.25	-0.029	-1.083	-0.429	1.446	-0.014	-0.046	-0.326	0.002	0.269	-0.005	-0.286	1428.346	90.433	-8.371	2.164	-16.38	-1.808	16.951	-2.411	-7.993	2.862	0.465	4.951	-3.246	-2.993	4.368	1.768	-0.749	-4.038	-0.711	4.544	-0.072	-0.833	-2.784	-0.611	3.574	-0.177	-0.679	-0.921	0.401	1.428	-0.59	-0.881
ZINC04617767	465	26.598	-1.968	0.57	-4.275	-2.292	4.71	0.06	-1.831	0.547	0.436	0.433	-0.816	-0.052	0.858	0.583	-0.341	-1.398	0.056	1.236	-0.16	-0.073	-0.859	-0.312	1.306	0.027	-0.104	-0.265	0.052	0.125	-0.03	-0.229	368.123	21.748	-3.331	0.796	-4.308	1.61	4.03	-0.475	-3.149	1.112	-0.24	2.478	-1.523	-0.828	0.498	0.354	0.398	-1.14	-0.387	0.978	0.015	-0.205	-0.616	-0.037	0.676	0.151	-0.009	-0.367	0.445	0.227	-0.266	-0.22	247.818	19.435	-1.932	-0.35	-3.357	0.345	3.612	-0.809	-1.881	0.6	0.313	1.135	-1.094	-0.655	0.946	0.297	0.131	-1.048	-0.137	0.807	-0.112	-0.158	-0.605	0.077	0.789	-0.179	-0.193	-0.092	0.208	0.259	-0.274	-0.14	476.647	27.657	-2.22	0.64	-4.561	-2.08	4.943	0.002	-2.045	0.616	0.424	0.637	-0.882	-0.192	0.929	0.622	-0.278	-1.396	-0.062	1.277	-0.084	-0.101	-0.862	-0.338	1.31	0.081	-0.125	-0.29	0.069	0.174	-0.046	-0.246	269.313	19.238	-1.885	-0.085	-3.249	-0.053	3.461	-0.538	-1.787	0.578	0.299	0.94	-1.045	-0.408	0.796	0.317	0.039	-1.063	-0.045	0.82	-0.182	-0.129	-0.623	0.047	0.797	-0.173	-0.145	-0.101	0.202	0.188	-0.232	-0.125	578.337	30.911	-2.586	1.29	-5.084	-3.138	5.434	0.284	-2.003	0.624	0.474	0.387	-0.802	0.041	0.918	0.734	-0.449	-1.564	0.006	1.46	-0.095	-0.072	-0.92	-0.527	1.515	0.2	-0.104	-0.361	0.025	0.118	0.02	-0.283	1426.346	92.216	-8.44	0.816	-16.456	-1.822	17.724	-1.874	-8.734	2.523	0.607	5.222	-3.758	-2.785	3.876	1.784	0.18	-4.165	-1.503	4.088	0.401	-0.725	-2.749	-0.789	3.885	0.591	-0.707	-1.144	0.453	1.177	-0.375	-0.844
ZINC03815028	465	26.728	-1.997	0.52	-4.116	-2.124	4.54	0.098	-1.768	0.577	0.347	0.421	-0.749	-0.047	0.822	0.565	-0.3	-1.461	0.132	1.193	-0.179	-0.07	-0.893	-0.424	1.141	-0.064	-0.125	-0.217	0.029	0.111	-0.048	-0.218	368.123	21.561	-3.345	0.805	-4.116	1.636	4.031	-0.497	-3.086	1.08	-0.065	2.156	-1.323	-0.859	0.472	0.197	0.511	-1.154	-0.47	0.906	0.183	-0.211	-0.706	-0.184	0.667	0.038	0.016	-0.433	0.387	0.211	-0.239	-0.321	247.818	19.465	-1.948	-0.317	-3.336	0.422	3.583	-0.815	-1.881	0.636	0.325	1.036	-1.06	-0.624	0.885	0.278	0.13	-1.06	-0.103	0.78	-0.122	-0.123	-0.657	0.018	0.701	-0.224	-0.198	-0.078	0.16	0.23	-0.258	-0.153	476.647	27.785	-2.253	0.61	-4.397	-1.893	4.799	0.05	-1.987	0.643	0.333	0.602	-0.809	-0.201	0.889	0.598	-0.238	-1.465	0.008	1.224	-0.095	-0.092	-0.9	-0.458	1.133	-0.023	-0.147	-0.247	0.025	0.154	-0.071	-0.247	269.313	19.323	-1.907	-0.056	-3.219	0.026	3.398	-0.543	-1.801	0.602	0.315	0.856	-1.001	-0.367	0.741	0.291	0.051	-1.074	-0.014	0.791	-0.188	-0.109	-0.665	-0.009	0.719	-0.221	-0.148	-0.087	0.168	0.172	-0.211	-0.13	578.337	30.99	-2.624	1.217	-4.834	-2.905	5.238	0.373	-1.894	0.651	0.327	0.39	-0.716	0.006	0.9	0.718	-0.389	-1.658	0.087	1.407	-0.104	-0.08	-0.951	-0.671	1.298	0.072	-0.13	-0.3	-0.007	0.098	-0.027	-0.274	1426.346	92.422	-8.371	1.003	-16	-1.4	17.565	-1.742	-8.521	2.717	0.47	4.811	-3.401	-2.789	3.67	1.655	0.28	-4.323	-1.342	3.87	0.463	-0.554	-2.94	-1.216	3.244	0.184	-0.786	-1.078	0.112	1.027	-0.458	-0.991
ZINC03815058	465	26.331	-1.718	0.658	-4.438	-1.79	4.356	0.183	-1.995	0.639	0.324	0.539	-0.711	-0.186	0.881	0.727	-0.608	-1.376	0.072	1.37	-0.3	-0.107	-0.865	-0.214	1.039	-0.025	-0.147	-0.161	0.006	0.191	-0.042	-0.273	368.123	21.566	-3.174	0.847	-4.308	1.625	3.9	-0.48	-3.221	1.065	-0.025	2.264	-1.449	-0.887	0.566	0.347	0.331	-1.132	-0.388	1.155	-0.004	-0.295	-0.57	-0.047	0.516	0.07	0.004	-0.376	0.373	0.25	-0.228	-0.331	247.818	19.505	-2.003	-0.175	-3.412	0.555	3.452	-0.808	-1.898	0.646	0.292	1.094	-1.046	-0.743	0.979	0.347	-0.016	-1.01	-0.112	0.929	-0.157	-0.196	-0.596	0.132	0.658	-0.233	-0.191	-0.068	0.182	0.235	-0.246	-0.19	476.647	27.353	-1.938	0.673	-4.69	-1.631	4.586	0.105	-2.198	0.687	0.351	0.729	-0.787	-0.31	0.947	0.769	-0.535	-1.379	-0.045	1.436	-0.235	-0.131	-0.861	-0.268	1.048	0.004	-0.166	-0.189	0.023	0.232	-0.058	-0.3	269.313	19.456	-1.953	0.138	-3.357	0.24	3.297	-0.525	-1.82	0.638	0.258	0.924	-0.985	-0.507	0.832	0.379	-0.127	-1.023	-0.03	0.936	-0.22	-0.172	-0.624	0.129	0.658	-0.211	-0.141	-0.074	0.177	0.185	-0.209	-0.174	578.337	30.36	-2.071	1.156	-5.278	-2.528	4.976	0.441	-2.22	0.703	0.38	0.564	-0.695	-0.114	0.943	0.924	-0.751	-1.554	0.002	1.627	-0.289	-0.103	-0.918	-0.448	1.189	0.125	-0.177	-0.227	-0.018	0.215	-0.011	-0.335	1426.346	91.944	-6.881	0.65	-16.622	-1.231	16.595	-1.74	-9.145	2.629	0.908	5.239	-3.526	-2.991	3.946	2.16	-0.393	-4.148	-1.324	4.86	-0.03	-0.819	-2.725	-0.865	3.134	0.069	-0.814	-0.891	0.252	1.239	-0.363	-1.129
ZINC03815241	435	24.591	-2.135	0.069	-4.164	-1.416	3.451	0.009	-0.988	0.172	0.123	0.471	-0.556	-0.393	0.841	0.483	-0.433	-1.294	-0.131	1.163	-0.357	0.018	-0.823	-0.321	0.938	-0.16	-0.105	-0.279	-0.053	0.243	-0.083	-0.095	406.464	18.991	-5.78	-0.361	-4.347	2.827	2.81	-0.3	-1.837	0.315	-0.359	2.014	-1.021	-0.908	1.178	0.659	0.207	-1.114	-0.165	1.029	-0.158	-0.394	-0.345	-0.447	0.432	-0.28	-0.077	-0.568	0.318	0.516	-0.397	-0.341	251.212	18.656	-2.528	-0.277	-3.417	0.973	2.732	-0.842	-1.232	0.352	0.019	1.1	-0.876	-0.807	0.981	0.286	0.122	-1.041	-0.088	0.847	-0.242	-0.183	-0.557	0.011	0.57	-0.309	-0.137	-0.147	0.106	0.336	-0.308	-0.105	445.524	25.358	-2.531	0.15	-4.43	-1.116	3.625	-0.069	-1.132	0.199	0.112	0.656	-0.621	-0.508	0.916	0.508	-0.356	-1.278	-0.242	1.215	-0.318	-0.003	-0.819	-0.379	0.933	-0.139	-0.128	-0.31	-0.048	0.294	-0.103	-0.117	283.623	19.112	-2.636	-0.144	-3.321	0.748	2.42	-0.558	-1.036	0.267	-0.027	0.926	-0.774	-0.611	0.852	0.381	-0.02	-1.078	0.016	0.85	-0.284	-0.198	-0.552	0.003	0.553	-0.295	-0.094	-0.171	0.081	0.302	-0.283	-0.102	526.145	27.71	-2.617	0.481	-4.826	-2.078	3.972	0.215	-1.048	0.146	0.193	0.431	-0.531	-0.384	0.904	0.556	-0.563	-1.38	-0.296	1.341	-0.365	0.093	-0.878	-0.556	1.074	-0.057	-0.14	-0.368	-0.083	0.256	-0.045	-0.11	1338.982	83.515	-9.983	-0.086	-16.034	1.109	13.666	-2.008	-5.554	1.288	-0.26	4.916	-2.844	-3.358	4.035	1.346	0.25	-3.811	-1.74	4.145	-0.571	-0.359	-2.602	-1.294	2.762	-0.462	-0.689	-1.261	0.036	1.502	-0.524	-0.604
ZINC03815054	465	26.285	-1.664	0.777	-4.326	-1.946	4.177	0.213	-1.833	0.745	0.127	0.503	-0.591	-0.25	0.859	0.71	-0.473	-1.381	0.058	1.342	-0.199	0.007	-0.917	-0.341	1.054	-0.032	-0.177	-0.185	-0.06	0.23	-0.053	-0.261	368.123	21.425	-3.254	0.795	-3.965	1.473	3.855	-0.444	-3.08	0.924	-0.01	2.144	-1.318	-1.058	0.669	0.281	0.372	-1.165	-0.478	1.072	0.084	-0.179	-0.586	-0.186	0.619	0.1	-0.072	-0.358	0.325	0.37	-0.267	-0.369	247.818	19.379	-1.995	-0.188	-3.368	0.45	3.443	-0.806	-1.855	0.694	0.2	1.053	-0.993	-0.787	0.989	0.341	0.067	-1.017	-0.133	0.893	-0.135	-0.128	-0.601	0.066	0.671	-0.225	-0.215	-0.051	0.135	0.269	-0.263	-0.208	476.647	27.316	-1.865	0.802	-4.569	-1.77	4.425	0.145	-2.044	0.771	0.139	0.672	-0.684	-0.39	0.918	0.743	-0.41	-1.4	-0.07	1.394	-0.131	-0.009	-0.911	-0.396	1.065	0.006	-0.199	-0.21	-0.046	0.278	-0.075	-0.296	269.313	19.273	-1.958	0.092	-3.304	0.092	3.257	-0.531	-1.767	0.687	0.165	0.901	-0.916	-0.551	0.844	0.376	-0.038	-1.022	-0.051	0.904	-0.192	-0.105	-0.636	0.058	0.677	-0.208	-0.169	-0.066	0.129	0.22	-0.225	-0.192	578.337	30.338	-1.952	1.361	-5.128	-2.659	4.743	0.518	-1.996	0.804	0.106	0.501	-0.564	-0.216	0.902	0.886	-0.608	-1.576	-0.025	1.593	-0.136	0.038	-0.995	-0.608	1.21	0.122	-0.205	-0.272	-0.095	0.262	-0.024	-0.315	1426.346	91.738	-6.854	0.934	-16.241	-1.582	16.424	-1.59	-8.871	2.704	0.29	4.877	-3.309	-3.309	3.785	2.019	-0.1	-4.386	-1.537	4.551	0.168	-0.374	-2.743	-1.241	3.24	0.184	-0.916	-0.831	0.048	1.485	-0.456	-1.201
ZINC03815030	561	30.245	-1.969	-0.357	-4.607	-1.757	4.72	0.387	-1.42	0.121	0.052	0.43	-0.773	0.064	0.975	0.427	-0.246	-1.782	0.48	1.332	-0.302	-0.316	-0.876	-0.404	1.042	0.122	-0.223	-0.296	-0.066	0.146	0.006	-0.07	401.389	22.924	-3.649	0.947	-4.333	1.857	4.134	-0.515	-3.099	1.05	-0.048	2.171	-1.405	-0.866	0.565	0.08	0.562	-1.254	-0.348	1.033	0.1	-0.201	-0.764	-0.057	0.551	0.02	0.041	-0.456	0.468	0.112	-0.21	-0.269	283.091	20.629	-2.034	-0.342	-3.538	0.556	3.739	-0.781	-1.766	0.498	0.291	1.045	-1.119	-0.573	0.968	0.168	0.165	-1.172	0.046	0.85	-0.151	-0.173	-0.691	0.073	0.641	-0.21	-0.193	-0.111	0.182	0.177	-0.216	-0.09	569.931	31.226	-2.29	-0.21	-4.79	-1.495	5.007	0.31	-1.734	0.202	0.085	0.611	-0.835	-0.08	1.028	0.456	-0.174	-1.771	0.343	1.384	-0.238	-0.323	-0.889	-0.43	1.036	0.151	-0.249	-0.319	-0.047	0.169	-0.014	-0.094	311.903	20.698	-1.974	-0.121	-3.521	0.165	3.555	-0.454	-1.606	0.408	0.243	0.855	-1.042	-0.309	0.841	0.17	0.092	-1.207	0.148	0.867	-0.225	-0.173	-0.703	0.041	0.658	-0.182	-0.149	-0.134	0.17	0.131	-0.167	-0.063	700.303	35.622	-2.759	-0.058	-5.214	-2.401	5.407	0.707	-1.605	0.083	-0.046	0.418	-0.735	0.153	1.034	0.581	-0.303	-2.074	0.524	1.589	-0.303	-0.41	-0.899	-0.664	1.165	0.325	-0.282	-0.384	-0.127	0.17	0.028	-0.082	1621.055	97.95	-7.321	0.157	-16.684	-0.304	17.934	-1.446	-7.825	1.709	-0.031	4.852	-3.458	-2.399	4.076	0.999	0.561	-4.876	-0.539	4.382	0.013	-0.83	-3.013	-1.032	3.007	0.362	-0.903	-1.221	0.091	0.812	-0.227	-0.582
ZINC02391775	561	29.403	-1.346	-0.788	-4.641	-1.925	5.025	0.372	-1.415	0.068	-0.084	0.381	-0.794	-0.088	1.012	0.412	-0.316	-1.715	0.447	1.405	-0.272	-0.289	-0.79	-0.321	1.262	0.18	-0.175	-0.406	-0.059	0.241	0.072	-0.089	401.389	22.136	-3.44	0.548	-4.417	1.585	4.245	-0.639	-3.189	0.951	-0.319	2.448	-1.638	-0.799	0.597	0.31	0.453	-1.201	-0.252	1.031	-0.004	-0.229	-0.617	0.049	0.667	0.15	-0.001	-0.403	0.466	0.142	-0.255	-0.164	283.091	19.843	-1.865	-0.499	-3.485	0.4	3.868	-0.833	-1.783	0.399	0.208	1.094	-1.159	-0.613	1.032	0.219	0.161	-1.141	0.015	0.843	-0.151	-0.213	-0.619	0.114	0.774	-0.147	-0.198	-0.15	0.203	0.227	-0.239	-0.074	569.931	30.367	-1.753	-0.68	-4.872	-1.7	5.3	0.3	-1.728	0.161	-0.036	0.566	-0.878	-0.2	1.072	0.451	-0.25	-1.701	0.317	1.454	-0.213	-0.304	-0.795	-0.337	1.274	0.23	-0.21	-0.427	-0.028	0.266	0.056	-0.096	311.903	19.772	-1.689	-0.286	-3.451	0.013	3.698	-0.526	-1.624	0.322	0.135	0.891	-1.089	-0.374	0.893	0.221	0.065	-1.176	0.132	0.866	-0.213	-0.199	-0.636	0.073	0.781	-0.126	-0.159	-0.17	0.178	0.178	-0.188	-0.054	700.303	34.977	-2.03	-0.703	-5.362	-2.601	5.799	0.728	-1.559	0.06	-0.186	0.338	-0.756	-0.011	1.055	0.541	-0.408	-1.984	0.502	1.701	-0.276	-0.346	-0.785	-0.546	1.456	0.401	-0.212	-0.537	-0.117	0.285	0.152	-0.103	1621.055	94.56	-7.023	-1.598	-17.244	-0.937	18.81	-1.434	-7.976	1.36	-0.385	4.828	-3.924	-2.543	4.335	1.13	0.295	-4.774	-0.659	4.471	-0.061	-1.009	-2.755	-0.69	3.871	0.832	-0.858	-1.487	0.275	1.124	-0.097	-0.401
ZINC03815052	561	30.3	-2.604	-0.566	-4.802	-1.316	4.44	0.384	-1.332	0.335	0.118	0.38	-0.507	0.009	1.003	0.556	-0.355	-1.679	0.441	1.452	-0.347	-0.104	-0.904	-0.3	1.025	0.011	-0.1	-0.366	-0.183	0.104	0.163	-0.234	401.389	22.2	-4.038	0.518	-4.233	1.609	4.23	-0.585	-3.022	1.099	-0.181	2.114	-1.478	-0.682	0.598	0.154	0.564	-1.26	-0.315	0.868	0.095	-0.141	-0.716	-0.071	0.602	0.004	0.039	-0.477	0.367	0.175	-0.238	-0.297	283.091	20.395	-2.266	-0.647	-3.482	0.479	3.657	-0.851	-1.817	0.647	0.256	0.996	-1.12	-0.481	0.994	0.22	0.128	-1.138	0.069	0.81	-0.197	-0.091	-0.662	0.097	0.641	-0.228	-0.177	-0.125	0.118	0.2	-0.216	-0.147	569.931	31.248	-2.943	-0.324	-5.126	-1.115	4.748	0.26	-1.53	0.407	0.131	0.562	-0.606	-0.137	1.08	0.57	-0.289	-1.678	0.314	1.455	-0.25	-0.108	-0.922	-0.331	1.012	0.04	-0.11	-0.397	-0.167	0.144	0.126	-0.264	311.903	20.378	-2.209	-0.511	-3.402	0.165	3.468	-0.493	-1.71	0.589	0.226	0.81	-1.018	-0.221	0.854	0.24	0.033	-1.162	0.169	0.857	-0.273	-0.091	-0.67	0.072	0.658	-0.212	-0.137	-0.143	0.106	0.138	-0.145	-0.119	700.303	35.814	-3.488	-0.147	-5.834	-1.722	5.042	0.695	-1.245	0.281	0.033	0.354	-0.355	-0.026	1.144	0.722	-0.452	-1.939	0.46	1.73	-0.299	-0.132	-0.963	-0.518	1.129	0.173	-0.081	-0.502	-0.292	0.108	0.247	-0.32	1630.209	98.918	-11.525	0.386	-17.818	-0.166	17.707	-2.001	-7.031	2.295	-0.071	4.548	-3.41	-2.241	4.254	1.273	0.195	-4.787	-0.403	4.169	0.067	-0.429	-3.023	-0.778	2.905	0.098	-0.533	-1.427	-0.146	0.934	-0.173	-0.961
ZINC03815057	561	28.787	-1.298	-0.971	-4.56	-1.681	4.446	0.262	-1.314	-0.159	0.31	0.368	-0.496	-0.232	0.978	0.658	-0.701	-1.563	0.317	1.49	-0.333	-0.35	-0.845	-0.116	1.07	-0.018	-0.2	-0.366	-0.116	0.246	0.069	-0.213	401.389	22.101	-3.346	0.547	-4.373	1.459	4.166	-0.731	-3.211	0.898	-0.061	2.299	-1.531	-0.841	0.616	0.348	0.325	-1.156	-0.265	1.214	0.013	-0.33	-0.562	0.029	0.509	0.036	-0.027	-0.336	0.333	0.242	-0.223	-0.312	283.091	19.797	-1.835	-0.524	-3.447	0.469	3.709	-0.911	-1.733	0.397	0.261	1.089	-1.057	-0.683	1.021	0.318	-0.054	-1.052	-0.004	0.955	-0.148	-0.272	-0.606	0.184	0.659	-0.241	-0.224	-0.081	0.135	0.239	-0.219	-0.151	569.931	29.897	-1.736	-0.853	-4.787	-1.503	4.731	0.153	-1.6	-0.072	0.388	0.571	-0.6	-0.351	1.039	0.694	-0.613	-1.55	0.194	1.559	-0.284	-0.369	-0.841	-0.168	1.084	0.004	-0.235	-0.375	-0.091	0.282	0.048	-0.23	311.903	19.734	-1.597	-0.339	-3.439	0.159	3.513	-0.591	-1.579	0.307	0.205	0.891	-0.957	-0.445	0.887	0.34	-0.176	-1.075	0.092	0.969	-0.195	-0.262	-0.633	0.185	0.666	-0.212	-0.171	-0.118	0.121	0.192	-0.169	-0.133	700.303	34.225	-2.043	-0.979	-5.249	-2.308	4.992	0.55	-1.395	-0.299	0.454	0.341	-0.398	-0.24	1.026	0.856	-0.834	-1.805	0.304	1.799	-0.384	-0.415	-0.868	-0.323	1.222	0.136	-0.262	-0.498	-0.167	0.293	0.133	-0.265	1621.055	95.321	-6.744	-1.652	-17.144	-1.183	17.488	-2.057	-7.639	1.037	0.733	5.081	-3.296	-2.92	4.26	1.68	-0.551	-4.299	-0.791	5.029	-0.214	-1.237	-2.783	-0.606	3.135	-0.037	-0.986	-1.148	-0.13	1.342	-0.13	-0.843
ZINC03815073	595	29.767	-2.079	-0.138	-4.761	-2.02	5.207	0.215	-1.336	0.103	-0.059	0.285	-0.477	-0.367	1.222	0.457	-0.661	-1.685	0.726	1.558	-0.354	-0.232	-0.936	-0.236	1.258	0.007	-0.106	-0.367	-0.119	0.363	0.044	-0.18	399.139	21.853	-3.552	0.747	-4.455	1.611	4.135	-0.752	-3.133	1.013	-0.239	2.403	-1.626	-0.775	0.754	0.313	0.336	-1.187	-0.1	1.047	-0.077	-0.314	-0.555	0.04	0.59	0.011	-0.02	-0.414	0.475	0.153	-0.296	-0.249	295.222	20.33	-2.001	-0.319	-3.576	0.41	3.962	-0.942	-1.816	0.48	0.222	1.121	-1.107	-0.74	1.197	0.268	-0.01	-1.158	0.137	0.899	-0.185	-0.254	-0.657	0.177	0.74	-0.242	-0.214	-0.152	0.208	0.266	-0.259	-0.141	596.76	30.503	-2.437	-0.046	-4.913	-1.805	5.41	0.129	-1.586	0.178	-0.002	0.463	-0.581	-0.436	1.263	0.485	-0.591	-1.661	0.596	1.6	-0.305	-0.253	-0.911	-0.262	1.25	0.039	-0.137	-0.37	-0.086	0.379	0.015	-0.189	331.026	20.544	-1.859	-0.058	-3.608	0.016	3.872	-0.629	-1.688	0.412	0.148	0.935	-1.007	-0.541	1.067	0.29	-0.124	-1.205	0.272	0.93	-0.231	-0.224	-0.703	0.144	0.758	-0.212	-0.166	-0.184	0.182	0.226	-0.198	-0.132	735.164	34.924	-3.049	0.102	-5.381	-2.712	5.907	0.516	-1.36	0.05	-0.143	0.183	-0.344	-0.313	1.273	0.559	-0.822	-1.895	0.825	1.904	-0.399	-0.254	-0.935	-0.458	1.446	0.172	-0.095	-0.462	-0.201	0.442	0.098	-0.202	1623.055	93.117	-7.909	0.295	-16.98	-1.277	18.213	-1.86	-7.157	1.42	-0.256	4.503	-3.333	-2.77	4.848	1.132	-0.553	-4.636	0.147	4.765	-0.335	-1.042	-2.778	-0.582	3.578	0.115	-0.703	-1.231	0.139	1.362	-0.325	-0.646
ZINC03815249	630	29.213	-1.744	-0.9	-5.041	-1.874	5.417	0.351	-1.924	0.422	0.297	0.553	-0.544	-0.32	0.773	0.485	-0.462	-1.526	0.285	1.643	-0.409	0.041	-0.808	-0.283	1.002	0.006	-0.188	-0.175	-0.283	0.25	0.063	-0.103	511.126	23.44	-2.867	0.417	-4.641	1.663	5.172	-0.439	-3.434	0.774	-0.242	2.412	-1.471	-1.018	0.352	0.271	0.41	-0.984	-0.219	1.239	-0.069	-0.107	-0.415	-0.047	0.439	-0.026	-0.035	-0.279	0.214	0.258	-0.325	-0.229	336.969	20.032	-1.901	-0.78	-3.626	0.534	4.226	-0.833	-1.948	0.441	0.287	1.158	-1.018	-0.751	0.915	0.26	0.032	-0.994	-0.042	0.99	-0.232	-0.113	-0.549	0.128	0.564	-0.251	-0.204	-0.009	0.045	0.27	-0.244	-0.105	664.767	30.84	-2.291	-0.772	-5.425	-1.653	5.889	0.319	-2.254	0.473	0.336	0.846	-0.617	-0.487	0.77	0.52	-0.319	-1.483	0.184	1.68	-0.338	0.04	-0.774	-0.336	1.006	-0.001	-0.199	-0.187	-0.279	0.301	0.02	-0.111	351.296	19.894	-1.701	-0.531	-3.515	0.19	3.901	-0.55	-1.8	0.442	0.227	0.901	-0.968	-0.488	0.792	0.287	-0.129	-1.046	0.057	1.043	-0.294	-0.098	-0.599	0.125	0.58	-0.198	-0.176	-0.048	0.033	0.212	-0.192	-0.085	785.527	34.606	-2.571	-0.728	-6.017	-2.534	6.233	0.643	-2.187	0.51	0.351	0.629	-0.502	-0.313	0.76	0.613	-0.51	-1.77	0.313	1.981	-0.423	0.073	-0.816	-0.525	1.182	0.149	-0.231	-0.268	-0.37	0.294	0.123	-0.124	2492.88	110.599	-15.246	-0.741	-19.373	-3.808	26.39	0.964	-11.705	2.741	0.652	6.854	-1.143	-5.515	1.782	2.049	1.262	-3.094	-0.534	4.11	0.248	0.763	-2.536	-0.91	2.634	-1.063	-0.178	-0.584	-1.016	2.233	-0.777	-0.452
ZINC03815152	666	30.653	-2.9	1.101	-5.315	-2.036	5.533	-0.408	-1.831	0.337	0.176	0.504	-0.398	-0.347	1.125	0.481	-0.629	-1.373	0.418	1.556	-0.378	-0.19	-0.985	-0.29	1.205	-0.131	-0.1	-0.276	-0.151	0.214	0.077	-0.171	508.581	25.208	-2.967	1.692	-4.915	1.464	4.821	-1.189	-3.404	1.094	-0.298	2.538	-1.549	-1.028	0.727	0.342	0.527	-0.846	-0.103	1.033	-0.237	-0.281	-0.544	-0.032	0.506	-0.036	0.073	-0.354	0.354	0.116	-0.241	-0.229	350.194	21.344	-2.085	-0.029	-3.929	0.461	4.361	-1.223	-2.02	0.58	0.248	1.245	-1.023	-0.762	1.193	0.244	0.076	-0.981	0.079	0.886	-0.267	-0.224	-0.623	0.127	0.677	-0.296	-0.152	-0.122	0.133	0.234	-0.231	-0.128	693.717	32.22	-3.399	1.481	-5.608	-1.843	5.969	-0.659	-2.044	0.332	0.163	0.773	-0.474	-0.499	1.134	0.517	-0.52	-1.288	0.311	1.569	-0.362	-0.21	-0.967	-0.323	1.171	-0.102	-0.117	-0.267	-0.152	0.245	0.036	-0.178	371.574	21.143	-1.968	0.141	-3.861	0.079	4.083	-0.861	-1.916	0.571	0.227	1.007	-0.953	-0.509	1.051	0.278	-0.077	-1.063	0.187	0.931	-0.291	-0.2	-0.676	0.106	0.717	-0.264	-0.113	-0.162	0.13	0.193	-0.17	-0.117	822.415	35.862	-4.117	1.911	-6.114	-2.767	6.27	-0.363	-1.94	0.321	0.157	0.448	-0.275	-0.323	1.156	0.59	-0.807	-1.493	0.418	1.898	-0.415	-0.209	-1.049	-0.51	1.385	-0.001	-0.122	-0.336	-0.225	0.247	0.137	-0.203	2494.88	122.885	-18.561	12.398	-19.349	-4.051	26.267	-6.122	-10.464	1.724	-1.113	6.49	-0.931	-5.204	3.869	2.293	-0.049	-2.006	-0.023	3.623	-0.866	-0.56	-3.431	-0.724	2.802	-0.968	0.187	-0.71	-0.952	1.514	-0.822	-0.654
ZINC03815116	946	42.062	-4.322	1.868	-6.241	-2.526	4.57	1.801	-1.299	0.648	-0.542	0.399	-0.311	0.669	1.096	0.442	-0.952	-1.696	0.543	2.539	-0.77	-0.069	-0.839	-0.606	1.443	-0.239	0.178	-0.31	-0.333	0.166	0.415	-0.305	512.15	25.146	-3.837	0.451	-4.657	2.229	4.117	-0.964	-3.026	0.95	0.402	1.642	-1.456	-0.809	1.102	0.072	-0.001	-1.013	-0.245	1.358	-0.076	-0.403	-0.353	-0.219	0.951	-0.241	-0.003	-0.21	0.3	0.44	-0.453	-0.205	410.491	24.648	-2.529	-0.249	-4.154	0.485	3.957	-0.715	-1.757	0.636	0.35	0.883	-1.198	-0.392	1.224	0.213	-0.188	-1.05	0.171	1.2	-0.312	-0.175	-0.55	0.034	0.807	-0.328	-0.105	-0.025	0.081	0.276	-0.236	-0.117	940.098	42.704	-4.326	1.7	-6.36	-2.372	4.853	1.592	-1.578	0.691	-0.419	0.485	-0.424	0.572	1.143	0.459	-0.863	-1.683	0.444	2.526	-0.716	-0.077	-0.818	-0.64	1.426	-0.203	0.131	-0.28	-0.315	0.183	0.357	-0.288	469.979	25.576	-2.613	0.241	-4.3	0.028	3.749	-0.184	-1.583	0.568	0.275	0.706	-1.029	-0.136	1.103	0.242	-0.341	-1.081	0.233	1.335	-0.36	-0.153	-0.601	-0.007	0.876	-0.331	-0.049	-0.094	0.069	0.237	-0.147	-0.125	1194.439	50.914	-5.881	2.889	-7.209	-3.411	5.026	2.569	-1.398	0.847	-0.96	0.413	-0.068	0.962	1.107	0.583	-1.135	-2.028	0.578	3.144	-0.975	-0.051	-0.832	-0.989	1.67	-0.164	0.252	-0.352	-0.501	0.138	0.608	-0.405	2335.645	116.88	-9.393	2.964	-20.023	-2.397	17.208	0.306	-7.058	2.179	-0.463	4.362	-3.196	-0.646	4.524	1.039	-1.033	-4.204	-0.153	6.539	-0.964	-0.656	-2.566	-1.359	3.909	-0.361	-0.211	-0.916	-0.355	1.28	-0.043	-0.655
ZINC04617775	903	38.434	-4.738	1.461	-6.136	-2.848	5.512	-0.016	-1.01	0.606	0.326	-0.334	-0.771	0.171	1.333	0.83	-1.104	-1.518	0.683	1.656	-0.259	-0.097	-1.124	0.033	1.066	0.039	-0.232	-0.293	-0.084	0.326	0.178	-0.22	555.938	26.417	-4.032	0.474	-5.007	2.115	5.063	-1.344	-3.305	1.343	-0.486	2.423	-1.893	-0.751	1.066	0.442	0.143	-1.122	-0.068	1.081	-0.189	-0.311	-0.495	0.13	0.551	0.083	0.013	-0.432	0.553	0.161	-0.421	-0.313	414.558	23.69	-2.624	-0.615	-4.289	0.524	4.396	-1.223	-1.864	0.814	0.242	0.977	-1.249	-0.537	1.344	0.351	-0.183	-1.099	0.22	0.878	-0.248	-0.195	-0.67	0.253	0.659	-0.193	-0.198	-0.151	0.228	0.286	-0.256	-0.181	922.908	40.125	-4.991	1.526	-6.471	-2.532	5.738	-0.15	-1.197	0.721	0.368	-0.168	-0.934	0.019	1.46	0.909	-1.024	-1.476	0.486	1.701	-0.23	-0.14	-1.029	0.014	1.043	0.05	-0.268	-0.306	-0.01	0.373	0.087	-0.236	455.384	24.014	-2.679	-0.134	-4.231	-0.041	4.167	-0.825	-1.713	0.719	0.205	0.717	-1.104	-0.284	1.149	0.364	-0.31	-1.154	0.378	0.911	-0.279	-0.135	-0.759	0.223	0.677	-0.143	-0.153	-0.171	0.172	0.245	-0.143	-0.17	1132.452	45.817	-6.558	2.679	-7.174	-3.857	6.16	0.188	-0.774	0.638	0.432	-0.621	-0.745	0.315	1.409	1.064	-1.381	-1.626	0.68	2.036	-0.214	-0.101	-1.16	-0.098	1.175	0.182	-0.284	-0.366	-0.13	0.375	0.261	-0.239	2813.779	122.58	-12.171	3.881	-23.662	-0.846	21.198	-4.005	-5.874	4.311	-0.37	3.374	-4.926	-2.724	6.6	3.449	-1.585	-3.985	-1.225	5.192	-0.535	-1.177	-1.927	0.026	2.738	-0.01	-1.25	-1.376	1.16	1.732	-1.536	-0.788
ZINC03815233	1035	46.887	-4.954	2.676	-6.702	-2.523	3.719	1.136	-1.185	0.164	-0.437	0.168	-0.265	0.531	0.965	0.649	-1.16	-1.958	0.766	2.324	-0.782	-0.462	-0.957	-0.242	1.338	-0.012	0.048	-0.324	-0.434	0.239	0.496	-0.145	553.622	27.069	-4.317	0.823	-5.125	1.662	4.09	-1.216	-3.316	1.253	0.232	1.995	-1.732	-0.598	0.748	0.186	0.2	-1.21	0.021	1.178	-0.074	-0.374	-0.563	0.061	0.453	-0.057	0.172	-0.237	0.226	0.146	-0.16	-0.221	440.396	25.734	-2.765	0.119	-4.332	0.418	3.572	-0.971	-1.744	0.55	0.349	0.851	-1.205	-0.312	1.103	0.167	-0.195	-1.142	0.226	1.095	-0.282	-0.285	-0.655	0.203	0.664	-0.244	-0.091	-0.062	0.025	0.195	-0.119	-0.084	1033.386	47.366	-5.458	2.562	-6.928	-2.307	4.021	0.969	-1.581	0.324	-0.214	0.248	-0.385	0.424	1.038	0.691	-1.047	-1.972	0.684	2.319	-0.718	-0.458	-0.938	-0.304	1.317	-0.004	0.013	-0.297	-0.394	0.243	0.457	-0.146	501.486	27.105	-2.598	0.704	-4.472	-0.071	3.288	-0.48	-1.54	0.398	0.212	0.662	-1.025	-0.044	0.936	0.189	-0.366	-1.176	0.316	1.21	-0.354	-0.293	-0.718	0.184	0.737	-0.203	-0.031	-0.135	-0.005	0.17	-0.028	-0.082	1319.531	57.076	-7.507	3.891	-7.788	-3.395	4.01	1.723	-1.345	0.259	-0.66	0.141	-0.021	0.664	0.987	0.971	-1.38	-2.41	0.885	2.863	-0.969	-0.548	-0.931	-0.54	1.552	0.103	0.037	-0.35	-0.578	0.272	0.682	-0.183	2568.422	124.48	-13.377	5.152	-22.055	-2.187	15.639	-1.138	-7.836	1.988	0.292	4.178	-3.105	-1.276	4.364	1.345	-1.238	-5.067	0.248	6.035	-0.837	-1.41	-2.993	-0.781	3.389	-0.1	-0.299	-1.051	-0.662	1.252	0.441	-0.497
ZINC04617795	861	38.248	-4.019	0.154	-5.491	-3.133	5.259	0.824	-1.429	0.02	0.496	-0.108	-0.42	0.022	1.099	0.94	-0.891	-1.634	0.38	1.509	-0.456	-0.218	-0.89	-0.064	1.253	-0.093	-0.274	-0.164	-0.164	0.311	0.134	-0.24	558.6	26.864	-3.982	-0.114	-4.895	1.676	4.844	-1.117	-3.311	1.26	0.033	2.172	-1.611	-0.665	0.71	0.461	0.28	-1.191	-0.184	1.245	-0.02	-0.43	-0.528	0.038	0.535	0.126	-0.036	-0.313	0.394	0.204	-0.334	-0.401	400.161	23.247	-2.488	-0.985	-3.978	0.346	4.145	-1.007	-1.779	0.605	0.355	0.931	-1.095	-0.57	1.047	0.351	-0.139	-1.086	0.138	0.981	-0.234	-0.241	-0.626	0.161	0.708	-0.208	-0.221	-0.029	0.13	0.238	-0.192	-0.224	889.494	40.293	-4.418	0.247	-5.907	-2.98	5.575	0.68	-1.634	0.17	0.608	0.027	-0.585	-0.102	1.219	1.036	-0.798	-1.618	0.206	1.6	-0.409	-0.249	-0.807	-0.106	1.219	-0.061	-0.334	-0.173	-0.087	0.353	0.061	-0.269	432.912	23.331	-2.438	-0.616	-3.829	-0.106	3.877	-0.555	-1.651	0.469	0.3	0.715	-0.916	-0.309	0.893	0.357	-0.264	-1.108	0.238	0.976	-0.29	-0.211	-0.694	0.157	0.76	-0.193	-0.157	-0.054	0.082	0.192	-0.099	-0.202	1089.111	46.171	-5.656	0.944	-6.488	-4.287	6.023	1.281	-1.435	-0.132	0.664	-0.277	-0.32	0.08	1.222	1.288	-1.077	-1.857	0.281	1.795	-0.501	-0.251	-0.866	-0.21	1.415	0.007	-0.362	-0.245	-0.199	0.392	0.168	-0.258	2811.779	128.558	-13.293	1.015	-23.76	-4.386	21.067	-2.161	-7.311	3.475	1.46	2.683	-3.714	-2.471	4.881	4.063	-0.776	-4.653	-1.225	5.192	-0.555	-1.131	-1.479	-0.551	2.768	0.595	-1.946	-0.654	0.765	1.495	-1.179	-1.097
ZINC03815239	1081	46.61	-5.964	1.28	-7.107	-2.911	5.246	0.468	-1.022	0.516	-0.658	-0.144	0.137	0.368	1.52	0.569	-1.413	-1.658	0.463	2.29	-0.825	-0.041	-1.135	-0.2	1.515	0.106	0.06	-0.536	-0.567	0.371	0.554	-0.03	550.973	26.827	-4.403	0.124	-4.933	1.981	4.796	-1.39	-3.204	1.295	-0.1	2.403	-1.817	-0.45	0.881	0.074	0.233	-1.325	-0.115	1.06	-0.253	-0.18	-0.587	0.034	0.588	-0.086	0.063	-0.448	0.393	0.13	-0.26	-0.126	455.491	25.496	-2.935	-0.467	-4.233	0.37	4.428	-1.158	-1.787	0.652	0.273	0.98	-1.09	-0.329	1.314	0.12	-0.223	-1.247	0.135	0.996	-0.376	-0.118	-0.728	0.177	0.793	-0.252	-0.098	-0.248	0.112	0.251	-0.138	-0.013	1069.358	47.184	-6.224	1.295	-7.114	-2.696	5.489	0.389	-1.367	0.623	-0.467	-0.023	-0.027	0.307	1.537	0.574	-1.305	-1.674	0.369	2.27	-0.777	-0.036	-1.087	-0.23	1.489	0.118	0.03	-0.51	-0.52	0.364	0.506	-0.031	525.65	26.943	-3.012	-0.056	-4.502	-0.178	4.312	-0.745	-1.584	0.558	0.102	0.744	-0.896	-0.078	1.199	0.164	-0.402	-1.272	0.227	1.105	-0.449	-0.091	-0.825	0.141	0.857	-0.192	-0.049	-0.316	0.056	0.229	-0.031	-0.005	1367.184	56.986	-8.659	2.331	-8.236	-3.897	5.684	0.914	-1.02	0.685	-0.99	-0.352	0.472	0.496	1.636	0.811	-1.746	-1.851	0.457	2.868	-1.004	-0.003	-1.115	-0.423	1.756	0.269	0.087	-0.581	-0.814	0.43	0.76	-0.056	2570.422	123.899	-13.846	1.949	-20.785	-2.441	18.876	-1.869	-6.958	2.309	-0.661	3.822	-2.533	-1.042	5.322	0.912	-1.902	-4.672	-0.501	5.739	-1.29	-0.544	-3.177	-0.487	4.013	0.15	-0.293	-1.606	-0.583	1.414	0.51	-0.164
ZINC03815188	861	38.191	-3.908	0.162	-5.619	-3.122	5.205	0.872	-1.358	0.022	0.316	-0.114	-0.486	0.008	1.117	0.882	-0.929	-1.705	0.436	1.487	-0.395	-0.202	-0.896	-0.112	1.233	-0.054	-0.238	-0.19	-0.153	0.355	0.181	-0.25	558.6	26.512	-3.941	0.273	-5.057	1.741	4.839	-1.01	-3.391	1.235	-0.034	2.141	-1.724	-0.795	0.709	0.358	0.17	-1.296	-0.143	1.219	0.015	-0.358	-0.437	0.071	0.552	0.151	-0.078	-0.298	0.381	0.251	-0.287	-0.356	400.161	23.234	-2.457	-0.936	-4.011	0.332	4.143	-0.997	-1.776	0.586	0.302	0.922	-1.144	-0.582	1.084	0.333	-0.158	-1.108	0.123	0.968	-0.22	-0.233	-0.606	0.161	0.699	-0.199	-0.229	-0.043	0.131	0.258	-0.177	-0.225	889.494	40.221	-4.293	0.28	-6.028	-2.954	5.54	0.717	-1.577	0.17	0.423	0.009	-0.664	-0.117	1.239	0.977	-0.839	-1.689	0.266	1.578	-0.348	-0.228	-0.808	-0.144	1.202	-0.024	-0.306	-0.202	-0.072	0.399	0.107	-0.273	432.912	23.325	-2.376	-0.548	-3.871	-0.146	3.862	-0.552	-1.659	0.446	0.233	0.694	-0.963	-0.335	0.911	0.332	-0.289	-1.152	0.224	0.962	-0.277	-0.202	-0.672	0.145	0.745	-0.179	-0.162	-0.067	0.077	0.212	-0.076	-0.206	1089.111	46.09	-5.511	0.946	-6.654	-4.255	5.942	1.345	-1.34	-0.129	0.432	-0.278	-0.397	0.075	1.233	1.209	-1.128	-1.948	0.372	1.771	-0.419	-0.229	-0.882	-0.273	1.394	0.059	-0.309	-0.281	-0.178	0.448	0.23	-0.268	2811.779	127.881	-12.902	1.471	-24.087	-3.881	21.238	-1.983	-7.152	3.434	0.908	2.598	-4.17	-2.496	5.164	3.841	-0.966	-4.681	-0.932	5.121	-0.307	-0.982	-1.415	-0.472	2.802	0.666	-1.981	-0.756	0.877	1.692	-1.101	-0.973
ZINC03815095	1035	48.05	-5.57	1.584	-6.881	-3.136	4.553	0.935	-0.378	0.302	-0.477	-0.289	-0.246	0.629	0.877	0.473	-1.025	-1.939	0.473	2.477	-0.822	-0.203	-1.264	-0.098	1.385	0.168	0.134	-0.218	-0.36	0.047	0.335	0.054	553.622	26.618	-3.47	-0.076	-4.529	1.728	4.724	-1.4	-2.919	1.378	0.517	1.471	-1.499	-0.762	0.883	0.19	0.065	-1.151	-0.182	1.284	-0.122	-0.301	-0.507	-0.067	0.634	0.029	0.004	-0.201	0.25	0.362	-0.439	-0.119	440.396	26.732	-2.773	-0.501	-4.286	0.268	4.056	-1.074	-1.474	0.677	0.464	0.54	-1.104	-0.36	1.025	0.13	-0.082	-1.169	0.166	1.16	-0.367	-0.117	-0.761	0.152	0.726	-0.195	-0.061	-0.028	0.075	0.201	-0.234	0.029	1033.386	48.935	-5.711	1.583	-6.957	-2.887	4.928	0.805	-0.825	0.431	-0.291	-0.23	-0.34	0.485	0.949	0.505	-0.945	-1.943	0.368	2.462	-0.748	-0.185	-1.23	-0.138	1.371	0.199	0.093	-0.204	-0.334	0.066	0.281	0.044	501.486	27.581	-2.848	-0.06	-4.425	-0.257	3.778	-0.587	-1.238	0.537	0.31	0.328	-0.932	-0.06	0.874	0.128	-0.243	-1.205	0.25	1.291	-0.455	-0.133	-0.832	0.12	0.811	-0.155	-0.023	-0.065	0.034	0.17	-0.16	0.041	1319.531	58.811	-7.981	2.799	-8.03	-4.232	5.087	1.536	-0.309	0.406	-0.794	-0.438	-0.039	0.835	0.875	0.721	-1.277	-2.354	0.448	3.051	-0.976	-0.225	-1.338	-0.257	1.598	0.373	0.167	-0.244	-0.503	-0.009	0.481	0.051	2568.422	130.644	-12.026	2.206	-20.655	-2.952	18.467	-1.341	-5.976	2.366	-0.043	2.492	-2.724	-1.337	4.086	0.992	-1.116	-4.817	-0.484	6.303	-0.918	-0.523	-3.489	-0.433	3.708	0.584	-0.162	-0.928	-0.409	0.877	-0.114	-0.007
ZINC03815103	903	38.378	-4.694	1.537	-6.393	-2.864	5.459	-0.05	-1.061	0.571	0.474	-0.299	-0.721	0.336	1.257	0.88	-1.102	-1.513	0.62	1.633	-0.275	-0.082	-1.13	0.029	1.087	0.032	-0.228	-0.329	-0.111	0.297	0.173	-0.206	555.938	25.882	-3.999	0.366	-5.22	1.924	4.994	-1.19	-3.31	1.671	-0.162	2.471	-1.72	-0.635	0.872	0.433	0.133	-1.105	0.009	1.127	-0.151	-0.278	-0.569	0.138	0.502	0.047	0.001	-0.419	0.53	0.151	-0.417	-0.282	414.558	23.655	-2.615	-0.595	-4.373	0.476	4.382	-1.226	-1.874	0.865	0.352	0.978	-1.197	-0.499	1.254	0.315	-0.178	-1.122	0.219	0.902	-0.25	-0.197	-0.673	0.25	0.654	-0.204	-0.202	-0.16	0.212	0.276	-0.248	-0.175	922.908	40.046	-4.944	1.604	-6.706	-2.557	5.699	-0.187	-1.237	0.713	0.529	-0.126	-0.873	0.185	1.365	0.951	-1.017	-1.466	0.439	1.691	-0.243	-0.117	-1.039	0.008	1.062	0.038	-0.262	-0.343	-0.031	0.352	0.081	-0.222	455.384	23.98	-2.662	-0.097	-4.366	-0.101	4.148	-0.829	-1.734	0.76	0.329	0.722	-1.052	-0.233	1.068	0.345	-0.305	-1.168	0.373	0.921	-0.281	-0.148	-0.768	0.224	0.674	-0.155	-0.152	-0.18	0.154	0.227	-0.135	-0.166	1132.452	45.743	-6.5	2.784	-7.5	-3.878	6.087	0.138	-0.843	0.606	0.587	-0.569	-0.693	0.539	1.337	1.155	-1.379	-1.605	0.591	1.992	-0.237	-0.072	-1.174	-0.105	1.21	0.175	-0.272	-0.415	-0.158	0.342	0.249	-0.224	2813.779	121.767	-12.005	3.935	-23.849	-0.897	21.214	-3.969	-5.826	4.717	0.396	3.489	-4.554	-2.211	5.863	3.362	-1.527	-4.037	-1.133	5.428	-0.525	-0.915	-1.974	-0.063	2.746	-0.078	-1.294	-1.479	1.177	1.776	-1.564	-0.666
ZINC03815209	1035	45.588	-5.265	0.736	-6.788	-2.797	5.04	0.665	-1.128	0.401	-0.565	0.01	-0.345	0.542	1.37	0.434	-1.119	-1.711	0.267	2.175	-0.736	-0.206	-1.025	-0.275	1.441	0.301	-0.016	-0.53	-0.429	0.192	0.534	-0.046	553.622	27.109	-4.307	-0.045	-4.846	1.953	4.879	-1.268	-3.223	1.214	-0.122	2.439	-1.832	-0.443	0.747	0.124	0.382	-1.341	-0.165	1.066	-0.178	-0.102	-0.625	0.142	0.638	0.042	0.107	-0.418	0.388	0.1	-0.234	-0.027	440.396	24.999	-2.845	-0.655	-4.106	0.351	4.313	-1.05	-1.741	0.541	0.293	0.939	-1.177	-0.229	1.165	0.083	-0.028	-1.221	0.062	0.941	-0.325	-0.088	-0.698	0.139	0.816	-0.149	-0.089	-0.247	0.101	0.191	-0.138	0.006	1033.386	46.45	-5.548	0.776	-6.899	-2.589	5.359	0.597	-1.552	0.53	-0.376	0.128	-0.471	0.458	1.399	0.454	-1.005	-1.738	0.17	2.156	-0.676	-0.188	-1.009	-0.291	1.441	0.326	-0.051	-0.526	-0.378	0.195	0.496	-0.039	501.486	26.11	-2.917	-0.299	-4.287	-0.176	4.109	-0.639	-1.492	0.433	0.126	0.703	-1.022	0.046	1.049	0.104	-0.191	-1.233	0.151	1.054	-0.409	-0.084	-0.769	0.094	0.867	-0.099	-0.041	-0.296	0.055	0.157	-0.043	0.013	1319.531	56.081	-7.624	1.699	-7.961	-3.778	5.557	1.193	-1.302	0.588	-0.871	-0.119	-0.163	0.687	1.479	0.65	-1.413	-1.988	0.221	2.723	-0.887	-0.262	-1.01	-0.489	1.647	0.525	-0.045	-0.593	-0.602	0.208	0.745	-0.068	2568.422	124.545	-12.792	0.546	-20.854	-2.21	19.489	-1.408	-7.919	2.055	-0.46	4.193	-3.313	-0.886	4.887	0.852	-1.049	-4.843	-1.123	5.432	-0.903	-0.616	-3.217	-0.555	4.162	0.88	-0.496	-1.853	-0.311	1.035	0.656	-0.091
ZINC03815306	1035	44.593	-5.126	0.326	-6.979	-2.297	5.047	1.032	-0.607	-0.262	-0.385	-0.115	-0.148	0.142	0.834	0.714	-0.994	-1.951	0.486	2.379	-0.81	-0.277	-0.965	-0.223	1.398	0.192	0.008	-0.307	-0.406	0.095	0.568	-0.008	651.837	25.599	-6.22	-0.556	-5.405	2.194	4.186	-0.658	-3.01	1.036	0.099	2.025	-1.693	-0.997	0.264	0.387	0.292	-1.185	-0.401	1.408	-0.173	-0.477	-0.631	0.097	0.325	0.149	0.177	-0.094	0.233	0.058	-0.154	-0.046	465.089	24.535	-3.124	-1.062	-4.307	0.539	4.082	-0.944	-1.507	0.348	0.379	0.758	-1.155	-0.459	0.872	0.213	-0.045	-1.181	0.032	1.141	-0.355	-0.228	-0.709	0.175	0.688	-0.148	-0.065	-0.079	0.03	0.153	-0.076	-0.002	1047.96	45.032	-5.603	0.43	-7.279	-1.964	5.297	0.942	-1.004	-0.165	-0.199	-0.032	-0.261	0.001	0.874	0.769	-0.933	-1.925	0.338	2.403	-0.77	-0.297	-0.958	-0.246	1.365	0.226	-0.019	-0.27	-0.38	0.08	0.54	-0.012	528.695	25.325	-3.146	-0.77	-4.454	0.115	3.852	-0.45	-1.266	0.211	0.197	0.54	-0.998	-0.24	0.687	0.248	-0.209	-1.236	0.128	1.243	-0.448	-0.205	-0.763	0.136	0.732	-0.107	-0.042	-0.126	-0.004	0.116	0.016	0.01	1316.69	54.548	-7.379	1.369	-8.358	-3.121	5.661	1.631	-0.615	-0.292	-0.601	-0.25	0.154	0.184	0.886	1.027	-1.255	-2.32	0.531	2.953	-0.979	-0.332	-0.952	-0.454	1.635	0.387	0.011	-0.325	-0.558	0.052	0.783	-0.03	2766.563	118.131	-16.479	0.059	-23.378	0.641	17.988	-0.648	-5.975	0.342	-0.009	3.051	-2.686	-2.735	3.302	1.783	-1.346	-4.548	-1.27	6.502	-1.279	-1.288	-2.977	-0.485	3.543	0.622	-0.241	-0.878	-0.616	0.666	0.705	-0.17
ZINC03815208	1225	51.118	-6.994	2.518	-8.182	-2.81	5.358	0.938	-0.602	0.52	-0.525	-0.61	-0.274	0.475	1.54	0.466	-1.22	-2.032	1.324	2.491	-0.874	-0.179	-1.186	-0.11	1.488	0.165	0.018	-0.495	-0.561	0.289	0.794	-0.265	591.161	28.729	-4.243	-0.071	-4.876	1.981	4.669	-1.439	-3.159	1.363	0.087	2.192	-2.053	-0.449	0.992	0.034	-0.044	-1.237	0.291	1.006	-0.334	-0.254	-0.582	0.068	0.421	-0.086	0.053	-0.442	0.452	0.101	-0.217	-0.167	502.822	27.583	-2.931	-0.076	-4.467	0.314	4.333	-1.127	-1.751	0.783	0.367	0.785	-1.272	-0.301	1.334	0.037	-0.308	-1.221	0.477	1.006	-0.374	-0.187	-0.733	0.216	0.73	-0.227	-0.111	-0.247	0.098	0.243	-0.041	-0.101	1206.933	51.648	-7.19	2.364	-8.124	-2.56	5.599	0.808	-0.925	0.653	-0.342	-0.49	-0.423	0.394	1.586	0.478	-1.148	-1.988	1.212	2.476	-0.829	-0.175	-1.151	-0.154	1.457	0.174	-0.013	-0.476	-0.501	0.285	0.742	-0.258	584.423	29.259	-3.023	0.456	-4.8	-0.258	4.198	-0.623	-1.552	0.662	0.207	0.525	-1.089	-0.057	1.226	0.075	-0.453	-1.299	0.625	1.132	-0.443	-0.168	-0.825	0.204	0.81	-0.166	-0.074	-0.298	0.023	0.21	0.074	-0.104	1551.593	62.391	-10.219	3.772	-9.683	-3.649	5.961	1.48	-0.324	0.667	-0.821	-0.912	-0.059	0.646	1.654	0.706	-1.451	-2.373	1.548	3.18	-1.096	-0.168	-1.197	-0.341	1.727	0.347	0.038	-0.553	-0.747	0.313	1.068	-0.354	2828.464	133.455	-14.716	3.953	-22.39	-2.424	19.312	-1.086	-6.111	2.614	-0.29	3.004	-3.585	-1.103	5.555	0.615	-1.894	-4.898	1.254	6.19	-1.276	-0.939	-3.214	-0.352	3.85	0.256	-0.402	-1.502	-0.583	1.314	0.96	-0.601
ZINC03815067	1035	40.726	-3.97	1.163	-5.654	-2.926	4.564	0.897	-1.555	0.389	0.131	-0.117	-0.166	0.439	1.12	0.701	-0.679	-1.911	0.72	1.996	-0.711	-0.177	-0.766	-0.502	1.123	-0.015	-0.012	-0.229	-0.043	-0.05	0.454	-0.188	634.736	24.851	-4.249	-0.977	-5.005	1.628	4.837	-0.975	-3.373	1.258	0.556	1.967	-1.347	-0.874	1.084	0.413	0.014	-1.06	-0.51	1.181	0.039	-0.399	-0.381	-0.051	0.643	-0.307	0.083	-0.204	0.455	0.262	-0.316	-0.237	474.86	24.893	-2.361	-1.158	-4.337	0.358	4.181	-0.929	-2.014	0.713	0.57	0.889	-1.108	-0.507	1.297	0.364	-0.146	-1.125	0.129	1.076	-0.275	-0.234	-0.522	0.073	0.604	-0.326	-0.136	0.009	0.169	0.188	-0.174	-0.087	1060.956	41.762	-4.169	0.997	-5.867	-2.881	5.065	0.687	-1.861	0.551	0.199	0.03	-0.202	0.314	1.14	0.71	-0.55	-1.894	0.577	1.964	-0.596	-0.204	-0.731	-0.518	1.087	-0.038	-0.028	-0.203	-0.022	-0.059	0.419	-0.204	518.03	25.33	-2.405	-0.649	-4.315	0.027	3.817	-0.472	-1.866	0.595	0.532	0.635	-0.98	-0.21	1.168	0.415	-0.294	-1.209	0.261	1.177	-0.347	-0.212	-0.586	0.024	0.685	-0.294	-0.098	-0.059	0.17	0.156	-0.081	-0.085	1304.987	48.871	-5.465	2.405	-6.381	-3.994	5.061	1.363	-1.545	0.446	-0.001	-0.346	0.096	0.682	1.118	0.868	-0.733	-2.282	0.787	2.434	-0.852	-0.18	-0.737	-0.828	1.303	0.127	0.027	-0.293	-0.095	-0.152	0.634	-0.247	3368.027	125.205	-16.35	1.338	-18.238	-10.146	21.964	-1.645	-10.983	5.344	-0.528	3.822	0.282	-2.95	3.425	2.206	-0.248	-4.282	-0.113	3.493	0.56	-0.913	-2.805	-0.143	2.394	-1.228	0.341	-0.457	0.03	0.592	0.067	-0.936
ZINC03815382	435	25.815	-2.514	0.132	-4.194	-1.274	3.906	-0.043	-1.18	-0.473	0.642	-0.006	-0.334	-0.21	0.643	0.585	-0.25	-1.368	0.205	1.316	-0.375	-0.037	-0.786	-0.194	1.111	-0.141	0.086	-0.332	-0.018	0.147	0.117	-0.011	320.994	19.636	-3.868	-0.291	-4.898	3.183	2.073	-1.302	-1.165	-0.555	1.277	0.886	-0.715	-1.237	0.991	0.387	0.59	-1.04	-0.565	1.23	-0.299	-0.27	-0.31	0.066	0.815	-0.411	0.034	-0.24	0.013	0.441	-0.151	-0.142	246.944	18.29	-2.559	-0.294	-3.716	1.104	2.567	-0.91	-1.266	-0.163	0.769	0.582	-0.668	-0.73	0.875	0.375	0.121	-0.948	-0.124	0.969	-0.267	-0.209	-0.4	0.1	0.712	-0.31	-0.086	-0.124	0.099	0.269	-0.17	-0.093	448.285	26.342	-2.898	0.157	-4.507	-0.911	3.946	-0.123	-1.288	-0.535	0.735	0.164	-0.378	-0.369	0.711	0.572	-0.134	-1.374	0.066	1.361	-0.353	-0.052	-0.774	-0.216	1.122	-0.121	0.08	-0.345	-0.014	0.198	0.109	-0.023	272.462	18.561	-2.636	-0.146	-3.681	0.923	2.351	-0.633	-1.003	-0.243	0.788	0.267	-0.518	-0.546	0.771	0.452	0.036	-0.999	-0.022	1.004	-0.306	-0.234	-0.408	0.082	0.746	-0.33	-0.03	-0.119	0.026	0.25	-0.148	-0.084	529.417	29.682	-3.046	0.49	-4.715	-1.883	4.618	0.102	-1.273	-0.629	0.644	0.003	-0.31	-0.151	0.622	0.628	-0.263	-1.558	0.184	1.512	-0.404	0.048	-0.918	-0.34	1.256	-0.034	0.145	-0.438	-0.023	0.145	0.192	0.031	1407.038	84.177	-12.665	-0.132	-17.872	2.989	13.041	-2.482	-5.941	-1.987	3.336	3.113	-2.132	-3.383	3.328	1.362	0.882	-4.086	-1.333	4.624	-1	-0.326	-2.258	-0.582	3.643	-0.352	-0.101	-1.135	0.124	1.252	0.195	-0.215
ZINC03815179	528	29.467	-1.851	0.839	-4.537	-2.615	4.763	-0.152	-0.984	-0.21	0.42	-0.13	-0.829	0.367	1.019	0.636	-0.363	-1.662	0.267	1.521	-0.429	0.024	-0.961	-0.344	1.073	-0.263	0.037	-0.102	-0.08	0.086	0.01	-0.087	282.023	19.476	-2.668	-0.392	-4.85	2.045	2.879	-1.512	-1.421	-0.004	0.539	1.185	-1.05	-0.937	1.356	0.239	0.489	-1.223	-0.209	1.059	-0.293	-0.369	-0.344	0.055	0.614	-0.247	-0.165	-0.105	0.021	0.511	-0.311	-0.258	263.04	19.551	-2.141	-0.31	-3.839	0.622	3.027	-1.048	-1.391	0.092	0.556	0.655	-0.968	-0.457	1.093	0.277	0.103	-1.102	0.031	0.989	-0.315	-0.202	-0.495	0.105	0.625	-0.29	-0.163	-0.028	0.059	0.306	-0.269	-0.148	528.502	30	-1.924	0.86	-4.851	-2.384	4.861	-0.21	-1.073	-0.223	0.422	0.038	-0.893	0.239	1.12	0.632	-0.297	-1.652	0.133	1.54	-0.376	-0.011	-0.927	-0.386	1.065	-0.234	0.027	-0.117	-0.074	0.132	-0.002	-0.125	294.434	20.197	-2.155	-0.066	-3.806	0.382	2.863	-0.79	-1.154	0.018	0.615	0.368	-0.854	-0.242	1.022	0.366	-0.012	-1.178	0.145	1.027	-0.362	-0.222	-0.515	0.08	0.644	-0.3	-0.133	-0.008	-0.002	0.291	-0.259	-0.139	648.324	34.446	-2.095	1.64	-5.298	-3.742	5.712	0.034	-0.86	-0.293	0.279	-0.214	-0.919	0.553	1.132	0.749	-0.435	-1.922	0.204	1.782	-0.425	0.106	-1.098	-0.591	1.235	-0.228	0.126	-0.147	-0.104	0.027	0.07	-0.083	1512.483	96.922	-6.586	0.119	-18.773	-2.905	16.963	-2.769	-5.372	-0.308	0.826	2.755	-3.801	-1.429	5.144	1.493	0.166	-4.902	-1.133	5.051	-0.678	-0.46	-2.603	-1.169	3.277	-0.483	-0.403	-0.434	-0.067	1.087	-0.199	-0.872
ZINC03815112	630	32.105	-2.69	1.099	-5.118	-2.589	4.209	0.131	-0.711	-0.41	0.072	-0.256	-0.391	0.43	0.918	0.615	-0.575	-1.763	0.206	1.78	-0.531	0.02	-0.929	-0.34	1.02	-0.18	0.145	-0.161	-0.142	0.081	0.132	-0.015	310.638	20.483	-2.596	-0.205	-5.076	2.161	2.862	-1.594	-1.348	0.011	0.524	0.987	-1.079	-0.825	1.291	0.222	0.402	-1.226	-0.13	1.048	-0.286	-0.355	-0.336	0.064	0.543	-0.187	-0.14	-0.121	0.013	0.429	-0.267	-0.223	299.332	20.611	-2.205	-0.061	-4.175	0.73	2.959	-1.083	-1.327	0.074	0.522	0.471	-0.929	-0.345	1.017	0.252	-0.009	-1.098	0.09	1.014	-0.335	-0.192	-0.491	0.111	0.575	-0.224	-0.145	-0.053	0.051	0.241	-0.208	-0.108	626.483	32.519	-2.672	1.178	-5.414	-2.354	4.356	0.045	-0.801	-0.409	0.089	-0.102	-0.498	0.313	1.016	0.6	-0.502	-1.736	0.092	1.782	-0.468	-0.008	-0.897	-0.382	1.009	-0.153	0.127	-0.174	-0.135	0.116	0.115	-0.052	338.876	21.541	-2.252	0.211	-4.236	0.452	2.752	-0.763	-1.074	-0.029	0.548	0.182	-0.767	-0.121	0.947	0.337	-0.145	-1.183	0.185	1.083	-0.389	-0.213	-0.514	0.079	0.6	-0.224	-0.108	-0.037	-0.015	0.233	-0.189	-0.094	777.105	37.731	-3.318	1.78	-5.858	-3.714	4.928	0.405	-0.474	-0.548	-0.208	-0.294	-0.324	0.566	1.022	0.743	-0.665	-2.082	0.1	2.13	-0.553	0.092	-1.04	-0.577	1.158	-0.151	0.287	-0.215	-0.192	0.047	0.212	-0.003	1722.152	101.192	-7.108	2.289	-20.332	-2.618	16.133	-2.551	-4.481	-0.772	0.095	2.007	-3.271	-0.984	4.752	1.296	-0.393	-4.841	-1.009	5.416	-0.737	-0.397	-2.553	-1.171	3.024	-0.158	-0.222	-0.616	-0.188	0.858	0.105	-0.625
ZINC03815061	528	28.487	-2.456	0.558	-4.577	-2.21	4.371	-0.12	-1.156	-0.095	0.202	0.008	-0.949	0.319	0.644	0.495	-0.303	-1.582	0.044	1.386	-0.431	-0.017	-0.903	-0.362	0.944	-0.194	0.052	-0.137	-0.073	0.178	-0.019	-0.083	441.388	19.134	-6.048	-0.151	-4.965	2.239	2.957	-0.693	-2.105	0.654	-0.102	1.423	-0.991	-0.457	0.973	0.495	0.369	-1.23	-0.277	1.051	-0.2	-0.468	-0.219	-0.259	0.294	-0.323	0.041	-0.49	0.255	0.489	-0.369	-0.265	286.739	19.16	-2.786	-0.291	-3.896	0.779	2.929	-0.916	-1.526	0.19	0.448	0.738	-1.017	-0.421	0.889	0.267	0.124	-1.094	-0.022	0.951	-0.316	-0.21	-0.481	0.024	0.553	-0.28	-0.131	-0.091	0.101	0.316	-0.277	-0.137	535.85	29.1	-2.685	0.605	-4.897	-1.965	4.489	-0.168	-1.278	-0.104	0.209	0.179	-1.03	0.193	0.712	0.491	-0.24	-1.565	-0.087	1.416	-0.385	-0.042	-0.878	-0.411	0.925	-0.168	0.053	-0.163	-0.061	0.217	-0.034	-0.117	327.343	19.537	-3.074	-0.014	-3.921	0.546	2.699	-0.617	-1.357	0.18	0.423	0.496	-0.909	-0.176	0.765	0.384	0.012	-1.152	0.058	0.981	-0.359	-0.244	-0.495	-0.014	0.551	-0.274	-0.088	-0.093	0.052	0.309	-0.271	-0.122	642.722	33.507	-2.688	1.197	-5.304	-3.229	5.198	0.043	-1.056	-0.15	0.022	-0.063	-1.075	0.478	0.669	0.551	-0.373	-1.799	-0.098	1.612	-0.434	0.054	-1.026	-0.588	1.068	-0.14	0.142	-0.182	-0.115	0.155	0.031	-0.082	1590.152	94.901	-9.767	0.372	-18.341	-1.531	15.986	-2.272	-5.938	0.045	0.558	3.111	-4.483	-1.593	3.461	0.91	0.274	-4.519	-1.658	4.683	-0.713	-0.311	-2.385	-1.404	2.669	-0.315	-0.136	-0.761	0.085	1.191	-0.315	-0.881
ZINC03815048	528	28.021	-2.292	0.742	-4.662	-1.818	4.326	-0.046	-1.264	-0.159	0.383	0.15	-0.887	0.349	0.905	0.64	-0.342	-1.573	0.072	1.545	-0.424	-0.082	-0.858	-0.3	0.997	-0.212	0.003	-0.041	-0.089	0.085	-0.003	-0.072	441.388	21.373	-3.833	0.531	-5.603	3.021	2.604	-0.745	-2.342	0.527	0.267	1.941	-1.515	-0.494	0.506	0.363	0.346	-1.271	-0.304	1.294	-0.293	-0.58	-0.203	-0.13	0.691	-0.073	0.011	-0.324	0.275	0.305	-0.416	-0.229	286.739	19.248	-2.519	-0.08	-3.967	0.93	2.884	-0.908	-1.554	0.179	0.471	0.835	-1.057	-0.379	0.926	0.304	0.095	-1.092	-0.035	1.009	-0.325	-0.235	-0.452	0.079	0.61	-0.254	-0.144	-0.048	0.103	0.285	-0.287	-0.121	535.85	28.636	-2.445	0.824	-5.002	-1.58	4.417	-0.093	-1.37	-0.153	0.365	0.345	-0.969	0.242	0.969	0.645	-0.287	-1.562	-0.055	1.575	-0.384	-0.117	-0.83	-0.352	0.995	-0.178	0.005	-0.068	-0.079	0.129	-0.02	-0.102	327.343	19.779	-2.711	0.179	-4.006	0.845	2.677	-0.599	-1.405	0.134	0.512	0.619	-0.988	-0.13	0.803	0.416	-0.031	-1.162	0.039	1.064	-0.382	-0.268	-0.456	0.057	0.615	-0.248	-0.117	-0.028	0.053	0.26	-0.284	-0.104	642.722	32.729	-2.535	1.392	-5.422	-2.75	5.129	0.159	-1.206	-0.241	0.247	0.119	-0.958	0.503	1.006	0.746	-0.417	-1.798	-0.045	1.822	-0.412	-0.038	-0.97	-0.532	1.144	-0.164	0.082	-0.062	-0.138	0.033	0.065	-0.076	1590.152	92.9	-8.171	1.369	-19.397	-0.989	15.492	-2.354	-6.135	0.094	0.378	3.777	-4.14	-1.2	4.343	1.526	0.114	-4.616	-1.526	5.124	-0.709	-0.749	-2.35	-1.267	3.154	-0.254	-0.288	-0.483	0.023	1.024	-0.278	-0.747
ZINC03815120	528	27.323	-2.545	0.584	-4.622	-1.965	3.919	-0.229	-0.871	-0.441	0.442	0.201	-0.829	0.149	0.7	0.53	-0.267	-1.622	0.153	1.632	-0.261	-0.078	-0.8	-0.236	1.02	-0.222	0.057	-0.085	-0.056	0.167	0.049	-0.14	441.388	20.479	-3.402	0.639	-5.542	3.172	2.505	-0.74	-2.194	0.312	0.289	1.995	-1.538	-0.558	0.531	0.299	0.437	-1.328	-0.259	1.302	-0.206	-0.555	-0.07	-0.163	0.731	-0.118	0.025	-0.338	0.25	0.314	-0.374	-0.246	286.739	19.017	-2.484	0.008	-3.964	0.881	2.766	-0.933	-1.46	0.069	0.502	0.882	-1.033	-0.45	0.879	0.264	0.13	-1.113	0	1.039	-0.266	-0.23	-0.422	0.072	0.624	-0.271	-0.125	-0.05	0.097	0.31	-0.271	-0.13	535.85	27.882	-2.601	0.725	-4.943	-1.745	3.991	-0.28	-0.993	-0.435	0.426	0.418	-0.903	0.024	0.772	0.521	-0.194	-1.602	0.037	1.667	-0.22	-0.101	-0.77	-0.291	1.019	-0.19	0.064	-0.11	-0.044	0.21	0.042	-0.166	327.343	19.372	-2.795	0.236	-4.022	0.797	2.552	-0.651	-1.258	-0.009	0.526	0.623	-0.959	-0.235	0.763	0.363	0.005	-1.19	0.088	1.084	-0.301	-0.271	-0.42	0.055	0.637	-0.267	-0.083	-0.041	0.055	0.29	-0.266	-0.124	642.722	31.846	-2.759	1.136	-5.302	-2.949	4.551	-0.105	-0.698	-0.585	0.333	0.224	-0.888	0.25	0.711	0.607	-0.309	-1.852	0.069	1.94	-0.203	-0.015	-0.894	-0.43	1.164	-0.165	0.149	-0.123	-0.092	0.146	0.141	-0.166	1590.152	90.263	-6.33	2.453	-18.988	-1.86	13.84	-2.859	-5.435	-0.586	0.838	4.614	-3.949	-1.96	3.685	1.025	0.584	-4.649	-1.175	5.562	-0.224	-0.482	-2.104	-1.179	3.232	-0.317	-0.018	-0.518	0.164	1.262	0.006	-0.868
ZINC03815084	528	27.78	-2.562	0.759	-4.924	-1.477	4.311	-0.28	-1.463	-0.159	0.208	0.184	-1.095	0.136	0.917	0.359	-0.242	-1.439	-0.124	1.495	-0.329	-0.096	-0.847	-0.262	0.95	-0.178	0.049	-0.137	-0.054	0.214	-0.059	-0.161	487.569	22.558	-4.255	0.353	-5.779	3.215	3.004	-0.896	-2.513	0.674	0.301	2.134	-1.586	-0.749	0.658	0.27	0.503	-1.243	-0.434	1.42	-0.366	-0.549	-0.274	-0.175	0.754	-0.119	0.022	-0.376	0.266	0.352	-0.429	-0.317	295.992	19.512	-2.714	-0.178	-4.072	1.044	3.021	-1.015	-1.664	0.199	0.422	0.905	-1.143	-0.519	0.935	0.199	0.167	-1.081	-0.112	1.029	-0.319	-0.218	-0.468	0.071	0.621	-0.26	-0.127	-0.075	0.109	0.328	-0.298	-0.162	552.413	28.984	-2.85	0.849	-5.413	-1.3	4.546	-0.355	-1.63	-0.133	0.172	0.405	-1.195	-0.044	1.062	0.33	-0.169	-1.424	-0.309	1.597	-0.315	-0.123	-0.835	-0.345	0.998	-0.145	0.044	-0.167	-0.05	0.275	-0.069	-0.214	325.738	19.581	-2.924	0.131	-4.038	1.014	2.707	-0.703	-1.505	0.119	0.466	0.663	-1.07	-0.238	0.76	0.314	0.038	-1.139	-0.014	1.037	-0.341	-0.252	-0.448	0.071	0.595	-0.248	-0.089	-0.056	0.064	0.293	-0.303	-0.131	654.682	32.901	-2.899	1.503	-5.884	-2.365	5.18	-0.119	-1.476	-0.22	0.016	0.123	-1.231	0.206	1.1	0.357	-0.311	-1.585	-0.356	1.808	-0.307	-0.055	-0.965	-0.506	1.111	-0.106	0.126	-0.191	-0.101	0.216	-0.004	-0.21	1964.267	105.79	-13.567	1.92	-23.936	0.299	18.052	-3.169	-8.005	0.49	-0.333	4.122	-4.708	-3.718	6.408	0.021	0.934	-4.195	-3.511	6.71	-1.37	-0.316	-2.838	-1.631	4.034	-0.392	-0.07	-1.153	0.287	1.652	-0.161	-1.64
ZINC03815255	528	28.504	-2.395	1.087	-4.855	-1.828	4.754	-0.268	-1.375	-0.33	0.296	-0.123	-0.589	0.134	0.628	0.519	-0.486	-1.411	0.702	1.138	-0.648	0.149	-0.961	-0.017	0.918	-0.381	0.113	-0.259	0.079	0.002	0.12	-0.046	344.142	22.205	-2.547	0.461	-4.988	2.393	3.294	-1.426	-1.728	-0.299	0.306	0.972	-0.898	-1.127	1.058	0.156	0.48	-1.03	0.125	0.815	-0.358	-0.29	-0.27	0.231	0.319	-0.333	-0.184	-0.046	0.072	0.276	-0.281	-0.233	284.113	19.878	-2.316	0.038	-3.936	0.907	3.075	-1.094	-1.525	0.044	0.467	0.591	-0.88	-0.546	0.941	0.223	0.045	-1.026	0.227	0.826	-0.389	-0.171	-0.491	0.249	0.479	-0.34	-0.151	-0.042	0.111	0.199	-0.231	-0.112	553.381	30.011	-2.634	1.329	-5.253	-1.598	5.022	-0.272	-1.529	-0.447	0.257	0.059	-0.579	-0.034	0.626	0.481	-0.367	-1.367	0.644	1.094	-0.652	0.149	-0.918	-0.014	0.858	-0.393	0.107	-0.251	0.099	0.003	0.124	-0.08	298.032	20.003	-2.285	0.106	-3.873	0.683	2.809	-0.88	-1.288	-0.004	0.523	0.31	-0.811	-0.328	0.894	0.332	-0.086	-1.109	0.327	0.901	-0.42	-0.184	-0.506	0.21	0.544	-0.342	-0.104	-0.048	0.04	0.219	-0.225	-0.105	648.451	33.111	-2.914	1.891	-5.762	-2.632	5.766	-0.093	-1.412	-0.539	0.217	-0.164	-0.547	0.245	0.539	0.581	-0.554	-1.542	0.802	1.236	-0.765	0.284	-1.07	-0.144	1.03	-0.393	0.233	-0.359	0.117	-0.079	0.217	-0.018	2080.485	124.071	-17.238	8.248	-17.538	-3.036	21.098	-0.279	-9.556	-2.089	-0.554	1.702	-0.456	-2.812	1.246	1.023	0.803	-4.138	2.327	2.366	-2.446	1.062	-3.109	0.328	2.08	-1.856	-0.562	0.123	0.406	0.012	1.005	-1.386
ZINC03815186	630	31.166	-3.297	1.322	-5.434	-1.801	4.19	-0.006	-1.068	-0.496	-0.051	-0.256	-0.173	0.187	0.584	0.577	-0.68	-1.538	0.603	1.387	-0.754	0.145	-0.922	-0.008	0.869	-0.3	0.209	-0.326	0.025	-0.008	0.234	0.019	375.673	23.417	-2.415	0.619	-5.252	2.495	3.276	-1.514	-1.665	-0.286	0.3	0.777	-0.928	-1.01	1.018	0.163	0.403	-1.049	0.187	0.796	-0.352	-0.276	-0.266	0.244	0.25	-0.268	-0.16	-0.064	0.073	0.198	-0.234	-0.206	321.784	21.041	-2.368	0.265	-4.289	1.011	3.007	-1.135	-1.464	0.028	0.438	0.408	-0.845	-0.431	0.887	0.222	-0.06	-1.035	0.271	0.845	-0.409	-0.16	-0.486	0.258	0.429	-0.271	-0.135	-0.068	0.109	0.135	-0.169	-0.079	653.586	32.699	-3.434	1.602	-5.818	-1.565	4.509	-0.043	-1.225	-0.593	-0.071	-0.088	-0.209	0.029	0.584	0.535	-0.553	-1.482	0.561	1.327	-0.747	0.151	-0.879	-0.003	0.802	-0.317	0.196	-0.314	0.049	-0.015	0.23	-0.017	342.733	21.375	-2.392	0.367	-4.31	0.753	2.698	-0.859	-1.208	-0.048	0.459	0.122	-0.728	-0.203	0.841	0.325	-0.213	-1.125	0.353	0.953	-0.449	-0.172	-0.504	0.211	0.5	-0.264	-0.081	-0.081	0.031	0.162	-0.153	-0.063	777.245	36.428	-4.226	2.001	-6.315	-2.604	4.967	0.249	-0.972	-0.743	-0.268	-0.256	0.016	0.246	0.507	0.684	-0.76	-1.737	0.649	1.571	-0.902	0.268	-1.003	-0.121	0.958	-0.323	0.377	-0.438	0.039	-0.067	0.345	0.052	2326.821	131.061	-17.781	9.81	-19.364	-2.795	20.266	-0.155	-8.549	-2.308	-1.176	0.988	-0.027	-2.456	1.117	1.209	0.335	-4.262	2.242	2.694	-2.46	1.134	-3.011	0.373	1.788	-1.57	-0.422	-0.049	0.403	-0.181	1.24	-1.235
ZINC03815245	630	30.785	-3.501	1.486	-5.081	-2.338	4.766	-0.346	-1.438	-0.277	0.528	-0.099	-0.666	0.12	0.967	0.785	-0.272	-1.625	0.181	1.607	-0.282	0.024	-1.011	-0.247	0.997	-0.117	-0.068	-0.048	-0.14	0.086	0.097	-0.177	431.642	26.674	-4.276	0.687	-5.084	1.43	3.865	-1.658	-2.268	0.323	0.753	1.161	-0.798	-1.295	1.235	0.555	0.55	-1.437	-0.174	1.126	-0.096	-0.212	-0.631	-0.008	0.636	-0.014	-0.298	-0.104	-0.097	0.561	-0.087	-0.394	328.111	21.369	-2.678	0.1	-4.221	0.77	3.267	-1.233	-1.598	0.15	0.635	0.622	-0.941	-0.567	1.062	0.361	0.12	-1.135	0.022	0.985	-0.226	-0.179	-0.56	0.132	0.554	-0.152	-0.211	-0.04	0.052	0.291	-0.187	-0.16	681.043	33.262	-4.523	1.871	-5.341	-2.521	5.141	-0.418	-1.815	-0.217	0.564	0.056	-0.647	-0.074	0.977	0.931	-0.163	-1.68	0.112	1.676	-0.203	0.064	-1.087	-0.305	1.056	-0.062	-0.126	-0.051	-0.191	0.166	0.128	-0.288	333.994	20.986	-2.493	0.185	-4.162	0.698	2.895	-0.947	-1.241	0.019	0.672	0.298	-0.846	-0.285	1.002	0.397	-0.028	-1.186	0.131	0.992	-0.306	-0.228	-0.527	0.115	0.553	-0.196	-0.154	-0.01	0.009	0.248	-0.197	-0.112	816.973	37.37	-5.197	2.663	-5.811	-3.845	5.816	-0.176	-1.71	-0.361	0.427	-0.191	-0.608	0.213	0.951	1.084	-0.283	-1.905	0.163	1.964	-0.227	0.163	-1.251	-0.478	1.234	-0.058	-0.055	-0.047	-0.257	0.064	0.203	-0.291	3042.157	177.834	-54.638	16.768	-7.881	-20.819	25.621	0.227	-18.556	5.451	3.394	-2.403	2.117	-2.956	0.433	7.437	0.972	-8.358	2.771	5.407	-1.547	3.292	-6.256	-1.897	6.187	-0.949	-2.43	2.197	-2.829	1.628	2.313	-4.172
ZINC03815322	465	25.337	-2.413	0.039	-4.043	-2.139	4.548	-0.015	-1.85	0.517	0.144	0.315	-0.694	-0.268	0.809	0.7	-0.427	-1.533	0.082	1.097	-0.289	-0.092	-0.86	-0.377	1.111	-0.105	-0.176	-0.207	0.093	-0.03	0.027	-0.148	368.123	18.012	-4.526	-1.346	-4.134	2.114	3.897	-0.654	-2.784	0.863	-0.318	2.026	-1.008	-0.732	0.999	0.764	0.125	-1.113	-0.38	1.014	0.078	-0.239	-0.571	-0.262	0.656	-0.213	-0.301	-0.415	0.499	0.238	-0.303	-0.306	247.818	18.176	-2.258	-0.696	-3.4	0.454	3.475	-0.793	-1.785	0.604	0.209	1.015	-0.946	-0.663	0.914	0.406	0.066	-1.049	-0.105	0.792	-0.137	-0.177	-0.607	-0.001	0.718	-0.228	-0.266	-0.078	0.212	0.205	-0.242	-0.147	476.647	26.111	-2.702	0.028	-4.315	-1.884	4.764	-0.083	-2.078	0.602	0.119	0.512	-0.769	-0.417	0.871	0.764	-0.378	-1.537	-0.066	1.146	-0.222	-0.115	-0.855	-0.414	1.101	-0.075	-0.197	-0.232	0.12	0.031	0.008	-0.175	269.313	18.037	-2.271	-0.572	-3.233	0.06	3.261	-0.521	-1.655	0.561	0.193	0.793	-0.847	-0.411	0.82	0.43	-0.041	-1.068	0.007	0.799	-0.203	-0.16	-0.621	-0.032	0.742	-0.239	-0.24	-0.089	0.191	0.121	-0.206	-0.129	578.337	29.305	-3.124	0.615	-4.69	-2.925	5.267	0.137	-2.115	0.59	0.084	0.276	-0.735	-0.314	0.849	0.877	-0.558	-1.77	-0.007	1.273	-0.287	-0.08	-0.924	-0.594	1.231	-0.008	-0.163	-0.279	0.108	-0.07	0.081	-0.159	1426.346	84.099	-10.115	-1.456	-16.186	-0.841	17.381	-1.885	-8.788	2.719	-0.11	4.778	-3.262	-3.43	3.619	2.634	-0.275	-4.429	-1.687	3.901	0.039	-0.7	-2.625	-1.16	3.26	-0.048	-0.969	-0.925	0.669	0.924	-0.199	-0.775
ZINC03815301	561	30.507	-3.244	1.342	-4.412	-2.569	4.798	0.067	-0.283	-0.311	0.913	-1.129	-0.22	0.363	0.625	0.36	-0.706	-2.006	0.864	1.441	-0.757	0.184	-1.278	-0.038	1.066	-0.137	0.035	-0.381	0.062	-0.062	0.098	0.144	280.197	20.551	-2.934	0.162	-4.532	2.247	2.573	-1.463	-0.931	-0.04	1.123	0.674	-0.966	-1.168	1.027	0.043	0.195	-1.187	0.24	0.807	-0.241	-0.363	-0.094	0.197	0.389	-0.21	-0.215	-0.121	-0.096	0.422	-0.387	-0.037	274.736	21.001	-2.489	-0.026	-3.822	0.757	2.976	-0.975	-0.993	0.086	0.909	0.15	-0.781	-0.529	0.88	0.141	-0.162	-1.111	0.354	0.814	-0.329	-0.214	-0.4	0.205	0.52	-0.214	-0.177	-0.068	0.012	0.224	-0.266	-0.005	554.35	30.759	-3.335	1.313	-4.477	-2.318	4.762	-0.027	-0.41	-0.3	0.991	-0.974	-0.295	0.196	0.708	0.321	-0.616	-1.989	0.761	1.437	-0.698	0.137	-1.208	-0.055	1.025	-0.106	0.017	-0.384	0.056	-0.036	0.074	0.129	313.021	21.776	-2.653	0.121	-3.93	0.493	2.903	-0.676	-0.749	-0.01	0.9	-0.132	-0.622	-0.378	0.752	0.198	-0.296	-1.218	0.478	0.926	-0.398	-0.18	-0.452	0.192	0.571	-0.223	-0.134	-0.102	-0.042	0.197	-0.216	-0.007	681.883	34.635	-4.093	2.137	-4.688	-3.653	5.564	0.226	-0.102	-0.419	0.946	-1.395	-0.14	0.559	0.651	0.383	-0.757	-2.409	0.983	1.681	-0.916	0.328	-1.575	-0.134	1.213	-0.076	0.098	-0.514	0.134	-0.142	0.17	0.229	1453.592	95.572	-9.631	2.693	-15.217	-2.292	14.879	-2.402	-3.66	-0.203	3.937	-0.14	-2.374	-1.801	3.455	0.556	-0.705	-5.385	1.044	3.881	-1.244	-0.379	-2.83	-0.136	2.745	-0.219	-0.52	-1.002	0.099	0.507	-0.326	0.056
ZINC00327021	595	31.426	-3.421	1.71	-4.559	-3.106	5.593	-0.32	-1.17	0.198	0.734	-1.046	-0.488	0.23	0.914	0.447	-0.706	-2.101	0.914	1.674	-0.328	0.088	-1.488	0.227	0.894	-0.151	-0.114	-0.182	0.293	-0.302	0.036	0.075	249.64	22.324	-2.303	-0.658	-3.901	0.857	4.186	-1.72	-1.957	0.763	0.949	1.008	-1.42	-1.007	1.367	0.356	-0.001	-1.068	0.204	0.83	0.001	-0.26	-0.63	0.506	0.273	-0.077	-0.372	-0.017	0.246	0.159	-0.392	-0.109	271.175	22.204	-2.093	-0.418	-3.587	0.052	3.812	-1.137	-1.615	0.544	0.883	0.398	-1.068	-0.562	1.113	0.352	-0.235	-1.139	0.424	0.901	-0.114	-0.195	-0.703	0.436	0.417	-0.16	-0.262	-0.017	0.218	0.049	-0.29	-0.091	588.997	31.91	-3.361	1.568	-4.682	-2.911	5.704	-0.383	-1.315	0.286	0.797	-0.874	-0.618	0.086	1.022	0.445	-0.649	-2.088	0.811	1.673	-0.252	0.052	-1.442	0.224	0.835	-0.112	-0.147	-0.177	0.296	-0.277	0.012	0.064	297.964	22.751	-2.05	-0.224	-3.525	-0.452	3.82	-0.888	-1.474	0.439	0.834	0.105	-0.9	-0.355	1.001	0.36	-0.356	-1.209	0.536	0.974	-0.174	-0.156	-0.786	0.397	0.51	-0.188	-0.215	-0.03	0.207	-0.01	-0.226	-0.076	741.161	35.46	-4.549	2.757	-5.162	-4.082	6.436	-0.221	-1.073	0.238	0.69	-1.433	-0.439	0.384	1.01	0.448	-0.76	-2.565	1	2.013	-0.358	0.195	-1.761	0.18	0.966	-0.113	-0.095	-0.237	0.377	-0.417	0.079	0.162	1544.428	100.399	-8.5	1.62	-15.596	-4.166	18.446	-3.098	-6.069	1.701	3.377	0.678	-3.782	-1.964	4.532	1.463	-0.962	-5.729	1.272	4.601	-0.129	-0.38	-3.8	0.861	2.03	-0.061	-1.041	-0.38	0.71	-0.095	-0.498	-0.177
ZINC03815356	666	30.728	-3.59	1.143	-4.89	-2.138	3.909	0.058	-0.23	-0.197	0.351	-1.088	-0.502	0.677	0.543	1.016	-0.797	-2.203	1.151	1.555	-0.879	-0.124	-1.361	0.043	1.153	-0.208	0.333	-0.59	0.007	-0.069	0.333	0.014	308.716	20.117	-3.446	0.39	-4.488	2.457	2.292	-2.038	-1.077	0.057	0.993	0.853	-1.161	-0.993	1.022	0.307	0.275	-1.416	0.271	0.807	-0.29	-0.4	-0.272	0.108	0.383	-0.232	0.025	-0.09	0.016	0.361	-0.363	-0.044	311.801	20.89	-2.76	0.103	-3.855	0.949	2.691	-1.314	-1.05	0.192	0.789	0.251	-0.941	-0.358	0.876	0.403	-0.123	-1.291	0.472	0.83	-0.373	-0.259	-0.561	0.192	0.573	-0.251	0.004	-0.11	0.066	0.182	-0.219	0.004	654.586	30.855	-3.694	1.218	-4.982	-1.84	3.876	-0.035	-0.348	-0.179	0.438	-0.927	-0.57	0.505	0.64	0.963	-0.702	-2.167	1.031	1.553	-0.837	-0.153	-1.309	0.017	1.118	-0.184	0.319	-0.591	0.021	-0.048	0.293	0	358.793	21.588	-2.92	0.242	-3.916	0.704	2.544	-0.999	-0.858	0.06	0.74	-0.072	-0.789	-0.172	0.776	0.513	-0.287	-1.413	0.602	0.928	-0.452	-0.247	-0.623	0.17	0.629	-0.253	0.068	-0.142	0.013	0.182	-0.149	-0.009	813.795	34.903	-4.508	1.855	-5.526	-3.029	4.39	0.313	0.083	-0.277	0.197	-1.357	-0.477	0.889	0.525	1.198	-0.879	-2.581	1.317	1.855	-1.077	-0.119	-1.611	-0.011	1.289	-0.178	0.468	-0.805	0.044	-0.159	0.485	0.013	1668.369	93.644	-10.339	3.084	-16.379	-1.167	12.898	-2.734	-3.316	0.062	2.651	0.327	-3.174	-0.907	3.293	2.042	-0.695	-5.951	1.584	4.359	-1.69	-0.895	-3.449	-0.054	3.167	-0.426	0.306	-1.496	0.184	0.351	0.053	-0.109
ZINC03815340	703	31.332	-3.767	1.246	-5.012	-3.028	5.37	0.086	-1.054	0.544	0.33	-1.01	-0.688	0.852	0.653	0.956	-0.943	-2.357	1.201	1.629	-0.339	-0.167	-1.476	0.191	1.013	-0.17	0.103	-0.408	0.209	-0.356	0.315	0.097	276.5	22.167	-2.738	-0.491	-3.917	0.88	4.3	-1.885	-2.066	0.943	0.863	1.153	-1.443	-0.777	1.159	0.43	0.019	-1.169	0.28	0.82	-0.056	-0.32	-0.594	0.424	0.279	-0.096	-0.264	0.029	0.261	0.057	-0.317	-0.028	307.986	22.122	-2.368	-0.356	-3.636	0.029	3.897	-1.131	-1.692	0.754	0.813	0.425	-1.081	-0.283	0.955	0.47	-0.261	-1.247	0.535	0.863	-0.136	-0.251	-0.677	0.371	0.441	-0.189	-0.182	-0.007	0.228	-0.027	-0.181	0.002	692.19	31.678	-3.731	1.252	-5.122	-2.756	5.446	-0.015	-1.231	0.627	0.41	-0.818	-0.789	0.679	0.762	0.945	-0.863	-2.312	1.071	1.627	-0.286	-0.198	-1.433	0.187	0.968	-0.138	0.077	-0.39	0.221	-0.337	0.271	0.079	342.605	22.729	-2.277	-0.255	-3.595	-0.512	3.883	-0.795	-1.534	0.672	0.747	0.087	-0.925	-0.031	0.852	0.518	-0.415	-1.338	0.676	0.926	-0.181	-0.219	-0.764	0.339	0.544	-0.218	-0.141	-0.045	0.207	-0.075	-0.093	0.019	878.464	35.168	-4.974	2.198	-5.881	-3.802	6.057	0.271	-0.838	0.611	0.128	-1.317	-0.717	1.108	0.687	1.113	-1.054	-2.844	1.326	1.974	-0.384	-0.177	-1.747	0.15	1.129	-0.132	0.224	-0.572	0.258	-0.478	0.417	0.128	1765.593	97.645	-9.387	1.883	-16.212	-3.922	17.987	-2.552	-6.092	2.475	2.435	1.095	-3.995	-0.499	3.73	2.482	-1.255	-6.138	1.727	4.63	-0.434	-0.967	-3.835	0.684	2.475	-0.095	-0.476	-0.686	0.606	-0.366	0	0.002
ZINC04617812	666	30.729	-3.59	1.143	-4.889	-2.138	3.909	0.057	-0.229	-0.196	0.35	-1.087	-0.501	0.676	0.542	1.016	-0.797	-2.202	1.15	1.556	-0.88	-0.124	-1.361	0.042	1.154	-0.209	0.333	-0.59	0.006	-0.069	0.332	0.015	308.716	20.118	-3.446	0.391	-4.487	2.457	2.293	-2.038	-1.077	0.057	0.993	0.853	-1.161	-0.994	1.022	0.307	0.275	-1.416	0.271	0.807	-0.291	-0.399	-0.272	0.107	0.383	-0.232	0.025	-0.091	0.017	0.361	-0.364	-0.043	311.801	20.891	-2.76	0.103	-3.855	0.949	2.692	-1.314	-1.049	0.192	0.788	0.251	-0.942	-0.359	0.875	0.403	-0.123	-1.29	0.472	0.83	-0.374	-0.259	-0.561	0.192	0.573	-0.251	0.005	-0.111	0.066	0.182	-0.219	0.004	654.586	30.856	-3.694	1.218	-4.981	-1.84	3.876	-0.036	-0.348	-0.179	0.438	-0.926	-0.57	0.504	0.64	0.964	-0.702	-2.166	1.03	1.553	-0.838	-0.153	-1.308	0.016	1.119	-0.185	0.319	-0.591	0.02	-0.047	0.292	0.001	358.793	21.588	-2.92	0.242	-3.915	0.704	2.545	-1	-0.858	0.06	0.739	-0.071	-0.789	-0.172	0.776	0.513	-0.287	-1.412	0.602	0.929	-0.453	-0.247	-0.622	0.17	0.629	-0.253	0.068	-0.142	0.014	0.182	-0.15	-0.008	813.795	34.905	-4.508	1.855	-5.525	-3.029	4.39	0.312	0.084	-0.276	0.196	-1.356	-0.476	0.888	0.525	1.198	-0.879	-2.58	1.316	1.856	-1.078	-0.119	-1.611	-0.013	1.291	-0.179	0.468	-0.805	0.043	-0.158	0.483	0.014	1668.369	93.646	-10.337	3.085	-16.376	-1.165	12.899	-2.736	-3.314	0.062	2.649	0.328	-3.175	-0.91	3.292	2.042	-0.696	-5.949	1.583	4.359	-1.692	-0.895	-3.448	-0.057	3.168	-0.428	0.305	-1.497	0.184	0.351	0.05	-0.107
ZINC04617811	703	31.329	-3.767	1.247	-5.014	-3.025	5.372	0.084	-1.055	0.544	0.328	-1.007	-0.687	0.851	0.653	0.954	-0.944	-2.355	1.202	1.627	-0.337	-0.169	-1.476	0.193	1.012	-0.17	0.102	-0.408	0.21	-0.355	0.316	0.095	276.5	22.166	-2.738	-0.49	-3.918	0.881	4.301	-1.886	-2.066	0.942	0.862	1.154	-1.444	-0.777	1.159	0.428	0.02	-1.168	0.279	0.821	-0.057	-0.321	-0.593	0.423	0.279	-0.095	-0.265	0.03	0.261	0.056	-0.316	-0.029	307.986	22.121	-2.368	-0.356	-3.637	0.03	3.898	-1.132	-1.692	0.754	0.813	0.426	-1.081	-0.283	0.955	0.469	-0.261	-1.247	0.535	0.863	-0.136	-0.252	-0.676	0.371	0.441	-0.189	-0.183	-0.006	0.228	-0.028	-0.181	0.001	692.19	31.675	-3.731	1.252	-5.124	-2.753	5.448	-0.017	-1.232	0.627	0.409	-0.815	-0.789	0.678	0.763	0.942	-0.863	-2.309	1.071	1.626	-0.284	-0.2	-1.432	0.189	0.967	-0.138	0.076	-0.39	0.222	-0.336	0.272	0.077	342.605	22.728	-2.277	-0.254	-3.596	-0.511	3.884	-0.795	-1.534	0.672	0.746	0.089	-0.925	-0.032	0.852	0.518	-0.416	-1.337	0.676	0.926	-0.181	-0.22	-0.764	0.34	0.544	-0.218	-0.142	-0.045	0.208	-0.075	-0.093	0.019	878.464	35.164	-4.974	2.198	-5.883	-3.798	6.059	0.268	-0.839	0.61	0.126	-1.314	-0.717	1.107	0.688	1.11	-1.055	-2.841	1.326	1.972	-0.382	-0.179	-1.747	0.152	1.128	-0.132	0.223	-0.572	0.259	-0.476	0.419	0.125	1765.593	97.636	-9.387	1.885	-16.219	-3.914	17.992	-2.558	-6.092	2.473	2.43	1.106	-3.998	-0.501	3.733	2.473	-1.253	-6.133	1.725	4.631	-0.433	-0.972	-3.83	0.684	2.473	-0.093	-0.481	-0.682	0.607	-0.366	0.004	-0.005
ZINC03815093	496	26.04	-2.581	0.043	-4.36	-3.075	4.771	0.171	-1.464	0.722	0.386	0.067	-0.59	-0.128	1.338	0.743	-0.719	-1.403	0.24	1.583	-0.088	0.031	-1.194	-0.22	1.105	-0.265	-0.063	-0.212	0.034	0.228	-0.072	-0.044	365.969	19.271	-4.327	-1.404	-3.894	2.017	3.275	-0.462	-2.419	1.241	-0.34	1.813	-1.27	-0.703	1.332	0.957	0.048	-1.139	-0.49	1.269	-0.244	-0.349	-0.424	-0.176	0.516	-0.296	-0.121	-0.298	0.367	0.468	-0.456	-0.251	259.177	18.772	-2.227	-0.635	-3.384	0.261	3.513	-0.827	-1.679	0.797	0.34	0.965	-0.983	-0.678	1.299	0.493	-0.045	-1.007	-0.054	1.028	-0.15	-0.201	-0.624	0.065	0.687	-0.338	-0.177	0.022	0.207	0.318	-0.328	-0.115	501.222	26.352	-2.818	0.075	-4.58	-2.81	4.904	0.052	-1.663	0.776	0.372	0.223	-0.692	-0.25	1.409	0.79	-0.676	-1.38	0.093	1.627	-0.061	0.004	-1.163	-0.272	1.091	-0.233	-0.093	-0.213	0.044	0.288	-0.114	-0.064	287.105	19.186	-2.133	-0.587	-3.281	-0.246	3.367	-0.483	-1.548	0.789	0.292	0.759	-0.861	-0.441	1.185	0.548	-0.184	-1.05	0.045	1.069	-0.191	-0.176	-0.683	0.043	0.695	-0.344	-0.137	-0.008	0.191	0.267	-0.282	-0.089	610.066	29.345	-3.381	0.701	-5.156	-4.097	5.486	0.348	-1.54	0.797	0.391	-0.113	-0.599	-0.067	1.48	0.862	-0.936	-1.546	0.175	1.867	-0.034	0.128	-1.381	-0.397	1.258	-0.188	-0.062	-0.313	-0.002	0.252	-0.044	-0.034	1428.346	82.063	-10.079	-0.968	-16.056	-3.342	16.461	-1.95	-7.49	2.987	0.684	3.518	-3.609	-2.615	5.458	2.5	-0.969	-3.911	-1.198	5.182	0.016	-0.576	-3.082	-0.892	3.156	-0.499	-0.679	-0.612	0.382	1.579	-0.77	-0.518
ZINC03815222	465	24.928	-2.284	-0.331	-4.106	-2.717	4.763	0.174	-1.559	0.658	0.545	0.222	-0.851	0.095	0.952	0.665	-0.382	-1.507	-0.004	1.385	0.127	0.014	-1.084	-0.281	1.027	-0.13	-0.032	-0.292	0.128	0.107	-0.069	-0.06	368.123	19.606	-4.226	-1.54	-4.08	2.077	3.322	-0.364	-2.573	1.451	-0.428	1.817	-1.23	-0.642	1	1.02	0.158	-1.151	-0.711	1.209	0.015	-0.35	-0.511	-0.148	0.462	-0.212	-0.086	-0.376	0.369	0.315	-0.326	-0.283	247.818	18.116	-2.124	-0.724	-3.33	0.352	3.448	-0.779	-1.676	0.784	0.395	0.965	-1.015	-0.534	1.017	0.455	0.087	-1.058	-0.156	0.918	0.001	-0.154	-0.649	0.026	0.632	-0.275	-0.166	-0.049	0.224	0.234	-0.304	-0.127	476.647	25.627	-2.611	-0.265	-4.416	-2.487	4.948	0.093	-1.798	0.745	0.507	0.366	-0.93	-0.068	1.046	0.74	-0.34	-1.499	-0.161	1.436	0.183	-0.009	-1.065	-0.325	1.024	-0.083	-0.061	-0.322	0.14	0.155	-0.095	-0.091	269.313	18.196	-2.027	-0.692	-3.154	-0.095	3.253	-0.459	-1.534	0.763	0.364	0.767	-0.932	-0.259	0.88	0.491	-0.031	-1.09	-0.073	0.955	-0.058	-0.139	-0.689	0.006	0.633	-0.292	-0.128	-0.056	0.214	0.174	-0.263	-0.095	578.337	28.578	-3.108	0.252	-4.916	-3.728	5.589	0.399	-1.746	0.774	0.562	0.097	-0.929	0.149	1.071	0.799	-0.504	-1.698	-0.134	1.637	0.248	0.076	-1.213	-0.459	1.176	-0.006	-0.011	-0.429	0.126	0.106	-0.033	-0.058	1426.346	83.122	-10.438	-1.858	-16.385	-2.897	17.106	-1.613	-8.081	3.127	0.846	3.743	-3.954	-2.504	4.48	2.651	-0.151	-4.322	-2.047	4.658	1.03	-0.436	-3.072	-1.039	3.069	0.103	-0.607	-1.217	0.552	1.062	-0.603	-0.672
ZINC00006798	595	29.788	-1.027	0.609	-4.586	-3.578	5.923	-0.788	-1.494	0.092	0.631	-0.623	-0.509	0.502	0.668	0.935	-0.531	-1.875	0.789	1.669	-0.416	0.204	-1.127	-0.046	1.05	-0.398	0.053	-0.101	-0.076	0.075	0.03	-0.007	274.274	19.87	-2.229	-1.41	-4.174	0.467	5.139	-1.879	-2.419	0.563	0.925	1.354	-1.443	-0.855	1.25	0.409	0.266	-1.117	0.081	0.926	0.111	-0.204	-0.608	0.232	0.632	-0.387	-0.313	0.091	0.172	0.364	-0.414	-0.14	282.776	20.005	-1.796	-1.094	-3.657	-0.134	4.381	-1.306	-1.868	0.384	0.898	0.633	-1.058	-0.431	0.999	0.443	-0.04	-1.053	0.262	0.988	-0.1	-0.175	-0.59	0.228	0.631	-0.417	-0.229	0.105	0.1	0.229	-0.315	-0.094	596.391	29.922	-1.173	0.548	-4.872	-3.462	6.197	-0.862	-1.7	0.122	0.687	-0.412	-0.652	0.36	0.791	0.936	-0.436	-1.898	0.69	1.649	-0.309	0.202	-1.129	-0.072	1.047	-0.369	0.026	-0.1	-0.059	0.129	0.007	-0.04	303.937	20.78	-1.537	-0.936	-3.504	-0.588	4.238	-1.078	-1.668	0.302	0.872	0.31	-0.886	-0.225	0.884	0.489	-0.19	-1.077	0.367	1.055	-0.198	-0.147	-0.628	0.217	0.667	-0.428	-0.182	0.093	0.06	0.171	-0.253	-0.074	744.308	33.592	-1.241	1.693	-5.495	-4.74	6.941	-0.862	-1.495	0.046	0.506	-0.85	-0.509	0.732	0.694	1.105	-0.537	-2.321	0.907	1.94	-0.446	0.394	-1.345	-0.19	1.187	-0.365	0.141	-0.201	-0.09	0.073	0.102	0.019	1739.678	95.013	-4.142	-0.447	-18.442	-7.571	22.637	-4.829	-8.259	1.231	2.576	2.152	-4.178	-1.314	4.553	2.38	0.06	-5.762	0.773	4.72	0.753	0.348	-3.611	-0.204	3.044	-0.996	-0.306	-0.298	0.098	1.041	-0.535	-0.513
ZINC01609260	630	27.505	-1.896	-0.028	-5.483	-3.702	6.147	-0.552	-1.422	0.51	0.64	-0.387	-0.527	0.451	0.606	1.022	-0.56	-2.235	0.957	1.69	-0.481	0.118	-1.213	0.203	1.189	-0.514	0.291	-0.458	0.161	0.025	-0.073	0.089	272.483	19.427	-2.164	-1.493	-4.307	0.346	4.963	-1.972	-2.226	0.637	0.824	1.193	-1.389	-0.917	1.402	0.263	0.343	-1.302	0.21	1.029	-0.106	-0.254	-0.653	0.454	0.533	-0.465	-0.268	-0.064	0.287	0.283	-0.478	-0.122	294.895	19.486	-1.925	-1.307	-3.953	-0.347	4.493	-1.36	-1.856	0.564	0.822	0.617	-1.053	-0.492	1.122	0.348	0.054	-1.321	0.374	1.038	-0.214	-0.193	-0.68	0.415	0.601	-0.457	-0.159	-0.075	0.249	0.166	-0.35	-0.074	623.822	27.833	-1.932	-0.068	-5.658	-3.591	6.325	-0.629	-1.59	0.498	0.684	-0.217	-0.637	0.301	0.753	0.988	-0.466	-2.226	0.864	1.685	-0.426	0.092	-1.203	0.173	1.165	-0.514	0.257	-0.45	0.16	0.07	-0.112	0.059	322.794	20.069	-1.814	-1.211	-3.888	-0.808	4.436	-1.105	-1.693	0.531	0.804	0.353	-0.894	-0.282	0.982	0.42	-0.1	-1.38	0.478	1.087	-0.271	-0.156	-0.729	0.396	0.669	-0.459	-0.094	-0.103	0.226	0.115	-0.279	-0.044	780.23	30.724	-2.384	0.961	-6.571	-4.891	7.127	-0.493	-1.351	0.555	0.529	-0.536	-0.507	0.68	0.56	1.268	-0.624	-2.668	1.095	1.972	-0.564	0.252	-1.405	0.097	1.377	-0.55	0.472	-0.625	0.161	0.021	-0.06	0.147	1741.678	91.079	-4.697	-2.412	-19.629	-7.865	21.542	-4.203	-6.806	1.646	2.174	1.964	-3.734	-1.333	4.394	1.973	0.169	-6.648	1.53	5.077	-0.288	-0.175	-3.505	0.455	3.131	-1.567	0.065	-1.141	0.634	0.728	-0.916	-0.27
ZINC03815377	630	26.61	-2.279	0.116	-5.845	-2.895	5.492	-0.602	-1.201	0.473	0.65	-0.332	-0.457	0.26	0.684	0.849	-0.334	-2.071	0.834	1.711	-0.357	0.081	-1.062	0.205	1.082	-0.468	0.258	-0.42	0.144	0.064	-0.152	0.071	340.615	19.644	-2.879	-1.171	-4.7	1.117	4.208	-2.033	-1.614	0.451	0.952	1.069	-1.232	-0.987	1.27	0.244	0.474	-1.222	0.052	1.318	-0.158	-0.239	-0.573	0.345	0.575	-0.543	-0.173	0	0.318	0.289	-0.397	-0.133	315.132	19.256	-2.31	-1.178	-4.174	0.079	4.144	-1.42	-1.634	0.526	0.876	0.591	-1.019	-0.548	1.108	0.297	0.142	-1.264	0.305	1.137	-0.214	-0.19	-0.625	0.394	0.593	-0.476	-0.135	-0.046	0.269	0.174	-0.347	-0.062	635.114	26.93	-2.479	0.14	-6.058	-2.72	5.587	-0.671	-1.304	0.443	0.677	-0.178	-0.563	0.109	0.814	0.806	-0.223	-2.068	0.747	1.735	-0.315	0.055	-1.048	0.165	1.067	-0.469	0.239	-0.406	0.14	0.111	-0.187	0.045	344.626	19.673	-2.289	-1.051	-4.177	-0.258	4.017	-1.166	-1.447	0.491	0.865	0.338	-0.861	-0.362	0.975	0.341	0.023	-1.305	0.4	1.188	-0.259	-0.158	-0.656	0.375	0.651	-0.476	-0.076	-0.066	0.245	0.128	-0.289	-0.031	778.054	29.665	-2.825	1.1	-6.992	-3.917	6.278	-0.512	-1.085	0.494	0.513	-0.466	-0.397	0.43	0.656	1.047	-0.349	-2.455	0.954	1.979	-0.391	0.198	-1.206	0.096	1.236	-0.477	0.421	-0.582	0.115	0.072	-0.158	0.107	1904.865	86.929	-7.929	-0.229	-20.675	-4.662	18.332	-4.245	-4.898	1.048	1.976	1.756	-3.246	-1.782	4.226	1.527	1.007	-6.115	1.074	5.522	-0.207	-0.224	-3.049	0.205	2.991	-1.428	0.317	-1.061	0.612	0.962	-0.984	-0.283
ZINC03815366	780	31.157	-3	0.306	-6.04	-3.942	5.979	-0.572	-1.195	0.775	0.488	-0.55	-0.494	0.422	0.742	1.107	-0.648	-2.305	0.876	1.931	-0.529	0.142	-1.197	0.216	1.168	-0.461	0.27	-0.456	0.182	0.002	-0.055	0.12	333.832	21.857	-2.582	-1.228	-4.451	0.738	5.02	-2.208	-2.273	0.925	0.915	1.105	-1.547	-0.954	1.465	0.353	0.341	-1.417	0.313	1.1	-0.146	-0.235	-0.659	0.472	0.533	-0.449	-0.272	-0.096	0.3	0.205	-0.505	-0.121	351.994	21.561	-2.259	-1.158	-4.203	-0.109	4.492	-1.502	-1.838	0.696	0.836	0.481	-1.136	-0.457	1.142	0.405	-0.002	-1.369	0.452	1.115	-0.243	-0.181	-0.677	0.437	0.57	-0.41	-0.167	-0.092	0.259	0.1	-0.335	-0.076	781.277	32.161	-2.996	0.359	-6.268	-3.811	6.099	-0.641	-1.339	0.801	0.616	-0.404	-0.693	0.276	0.898	1.098	-0.496	-2.345	0.774	1.937	-0.476	0.127	-1.174	0.193	1.149	-0.471	0.225	-0.453	0.193	0.053	-0.122	0.086	381.737	21.921	-2.172	-1.085	-4.18	-0.636	4.414	-1.217	-1.648	0.61	0.77	0.204	-0.927	-0.234	0.993	0.462	-0.185	-1.396	0.544	1.173	-0.299	-0.146	-0.728	0.418	0.631	-0.398	-0.1	-0.115	0.233	0.05	-0.243	-0.046	973.538	35.206	-3.834	1.312	-7.166	-5.345	6.894	-0.509	-1.022	0.918	0.334	-0.714	-0.446	0.612	0.742	1.381	-0.707	-2.76	0.937	2.274	-0.604	0.279	-1.368	0.112	1.362	-0.505	0.455	-0.617	0.192	0.014	-0.055	0.201	2314.182	109.761	-7.654	1.282	-21.811	-7.77	19.87	-4.189	-5.952	3.548	3.045	1.478	-5.077	-1.832	5.086	2.734	1.185	-7.708	1.142	5.835	-0.512	0.16	-3.3	0.384	3.22	-1.579	-0.086	-1.406	0.867	0.704	-1.299	-0.284
ZINC03815351	780	31.114	-1.935	0.23	-6.328	-3.44	5.779	-0.747	-1.451	0.313	0.359	-0.438	-0.469	0.109	1.063	0.647	-0.423	-2.348	0.84	2.039	-0.511	-0.086	-1.147	0.2	1.251	-0.382	0.138	-0.468	0.001	0.14	0.048	0.154	333.832	22.032	-2.207	-1.711	-4.457	0.508	5.196	-2.264	-2.521	0.803	0.703	1.266	-1.572	-1.125	1.658	0.206	0.348	-1.401	0.133	1.207	-0.147	-0.269	-0.692	0.428	0.606	-0.498	-0.328	-0.05	0.28	0.358	-0.537	-0.109	351.994	20.794	-1.909	-1.196	-4.266	-0.175	4.494	-1.526	-1.96	0.647	0.69	0.617	-1.129	-0.632	1.346	0.24	0.092	-1.404	0.329	1.169	-0.235	-0.214	-0.696	0.398	0.652	-0.436	-0.204	-0.057	0.21	0.222	-0.363	-0.032	781.277	32.304	-2.266	0.149	-6.377	-3.33	6.096	-0.871	-1.762	0.3	0.479	-0.255	-0.646	-0.036	1.203	0.623	-0.324	-2.363	0.74	2.071	-0.482	-0.112	-1.134	0.17	1.229	-0.388	0.077	-0.473	0.027	0.184	-0.028	0.121	381.737	20.876	-1.684	-0.977	-4.321	-0.612	4.309	-1.223	-1.693	0.571	0.639	0.315	-0.919	-0.41	1.208	0.274	-0.05	-1.452	0.441	1.202	-0.276	-0.186	-0.74	0.382	0.712	-0.414	-0.133	-0.087	0.163	0.17	-0.265	0.009	973.538	35.927	-2.642	1.214	-7.437	-4.685	6.644	-0.73	-1.446	0.24	0.204	-0.6	-0.408	0.236	1.094	0.806	-0.428	-2.795	0.935	2.429	-0.624	-0.037	-1.272	0.096	1.437	-0.383	0.259	-0.649	-0.051	0.157	0.116	0.211	2188.849	106.737	-5.841	-2.56	-21.001	-6.857	21.921	-5.537	-8.115	1.522	1.749	1.964	-4.456	-2.344	5.604	1.052	0.39	-7.173	1.001	6.188	-0.579	-0.634	-3.47	0.406	3.317	-1.308	-0.51	-1.275	0.357	1.084	-1.058	-0.072
ZINC03815376	780	29.892	-2.149	0.735	-5.531	-3.906	5.668	-0.005	-1.399	0.84	1.004	-0.658	-0.625	0.389	0.609	1.112	-0.607	-2.299	0.846	1.882	-0.515	0.065	-1.111	0.183	1.062	-0.462	0.18	-0.537	0.092	0.058	-0.021	0.101	333.832	20.737	-2.129	-1.516	-4.613	0.843	5.073	-2.067	-2.269	0.881	0.879	1.108	-1.472	-0.949	1.42	0.256	0.395	-1.44	0.331	1.064	-0.127	-0.199	-0.657	0.483	0.477	-0.456	-0.316	-0.112	0.269	0.22	-0.464	-0.083	351.994	20.65	-1.961	-1.178	-4.212	-0.004	4.45	-1.362	-1.845	0.702	0.918	0.462	-1.112	-0.479	1.093	0.367	0.069	-1.39	0.456	1.076	-0.225	-0.168	-0.661	0.446	0.526	-0.416	-0.21	-0.12	0.239	0.113	-0.312	-0.053	781.277	30.648	-2.113	0.73	-5.803	-3.786	5.853	-0.076	-1.547	0.873	1.056	-0.517	-0.789	0.25	0.758	1.07	-0.469	-2.329	0.761	1.884	-0.475	0.061	-1.084	0.15	1.03	-0.482	0.124	-0.537	0.1	0.1	-0.081	0.074	381.737	21.107	-1.888	-1.012	-4.105	-0.527	4.325	-1.048	-1.668	0.635	0.926	0.178	-0.929	-0.26	0.941	0.451	-0.11	-1.414	0.541	1.134	-0.278	-0.149	-0.705	0.424	0.588	-0.401	-0.147	-0.148	0.212	0.067	-0.227	-0.031	973.538	33.91	-2.658	1.984	-6.5	-5.347	6.473	0.286	-1.331	1.007	1.008	-0.861	-0.648	0.58	0.575	1.389	-0.705	-2.753	0.88	2.215	-0.602	0.161	-1.251	0.052	1.21	-0.515	0.34	-0.725	0.062	0.097	-0.019	0.156	2314.182	98.165	-3.871	0.255	-21.111	-7.826	20.074	-2.606	-6.58	3.783	2.813	1.071	-4.554	-1.534	4.492	1.97	1.011	-7.394	1.479	5.568	-0.649	0.204	-2.929	0.244	2.681	-1.628	-0.461	-1.469	0.519	0.793	-1.053	-0.062
ZINC01609268	780	31.262	-1.993	0.288	-6.232	-3.594	5.879	-0.309	-1.307	0.502	0.446	-0.49	-0.476	0.267	0.987	0.612	-0.51	-2.406	0.78	2.113	-0.479	-0.092	-1.158	0.171	1.206	-0.305	0.216	-0.523	0.031	0.019	0.014	0.059	333.832	21.787	-2.181	-1.625	-4.656	0.705	5.369	-2.123	-2.391	0.841	0.72	1.3	-1.517	-1.109	1.655	0.109	0.383	-1.425	0.178	1.217	-0.138	-0.227	-0.754	0.452	0.672	-0.431	-0.302	-0.037	0.288	0.318	-0.511	-0.13	351.994	20.782	-1.828	-1.148	-4.34	-0.171	4.659	-1.361	-1.853	0.672	0.705	0.652	-1.087	-0.594	1.32	0.17	0.089	-1.411	0.337	1.196	-0.237	-0.205	-0.74	0.39	0.678	-0.396	-0.18	-0.074	0.208	0.188	-0.336	-0.052	781.277	32.304	-2.256	0.284	-6.378	-3.431	6.193	-0.397	-1.577	0.497	0.57	-0.337	-0.66	0.113	1.152	0.58	-0.393	-2.425	0.702	2.14	-0.435	-0.093	-1.167	0.147	1.207	-0.291	0.161	-0.517	0.074	0.063	-0.055	0.031	381.737	20.98	-1.626	-0.969	-4.339	-0.695	4.463	-1.05	-1.602	0.599	0.656	0.361	-0.876	-0.36	1.171	0.219	-0.071	-1.455	0.432	1.238	-0.284	-0.191	-0.769	0.363	0.721	-0.384	-0.111	-0.114	0.157	0.134	-0.242	-0.015	973.538	35.99	-2.794	1.304	-7.295	-4.855	6.723	-0.175	-1.254	0.503	0.308	-0.686	-0.442	0.452	1.018	0.776	-0.554	-2.871	0.86	2.52	-0.564	-0.034	-1.281	0.057	1.368	-0.28	0.365	-0.709	0.01	-0.006	0.046	0.082	2188.849	105.134	-5.545	-1.826	-21.958	-6.828	22.163	-3.931	-7.494	1.873	1.902	1.8	-4.22	-2.038	5.787	0.861	0.535	-7.262	1.303	6.462	-0.308	-0.341	-3.698	0.445	3.505	-0.961	-0.291	-1.26	0.618	0.77	-1.02	-0.289
ZINC03815391	946	33.882	-3.203	0.484	-6.999	-3.686	5.64	-0.707	-1.204	0.575	0.235	-0.678	-0.509	0.108	1.179	0.771	-0.532	-2.423	0.789	2.309	-0.568	-0.092	-1.121	0.177	1.211	-0.324	0.147	-0.455	0.049	0.096	0.057	0.175	401.434	24.171	-2.566	-1.44	-4.634	0.947	5.187	-2.464	-2.574	1.113	0.76	1.207	-1.74	-1.16	1.731	0.275	0.36	-1.516	0.245	1.269	-0.192	-0.257	-0.677	0.421	0.603	-0.485	-0.315	-0.085	0.305	0.276	-0.57	-0.095	414.117	22.548	-2.245	-1.054	-4.535	0.073	4.474	-1.648	-1.928	0.783	0.692	0.485	-1.222	-0.593	1.365	0.293	0.033	-1.448	0.415	1.244	-0.275	-0.206	-0.682	0.407	0.609	-0.39	-0.202	-0.071	0.232	0.15	-0.353	-0.03	956.463	35.618	-3.417	0.522	-7.119	-3.542	5.885	-0.815	-1.503	0.612	0.426	-0.503	-0.773	-0.028	1.327	0.761	-0.361	-2.49	0.678	2.348	-0.541	-0.104	-1.088	0.145	1.197	-0.342	0.08	-0.468	0.09	0.148	-0.047	0.139	445.59	22.412	-2.098	-0.866	-4.634	-0.439	4.283	-1.317	-1.628	0.648	0.603	0.158	-0.966	-0.357	1.215	0.322	-0.148	-1.463	0.518	1.29	-0.316	-0.184	-0.731	0.392	0.657	-0.353	-0.131	-0.092	0.182	0.097	-0.235	0.01	1188.233	39.254	-4.293	1.46	-8.193	-5.15	6.457	-0.669	-1.099	0.603	0.054	-0.888	-0.449	0.21	1.248	0.972	-0.532	-2.902	0.816	2.772	-0.668	-0.049	-1.226	0.061	1.406	-0.332	0.282	-0.626	0.016	0.124	0.11	0.247	2827.048	121.757	-8.283	1.328	-23.862	-6.321	19.811	-5.136	-7.346	3.49	2.524	1.589	-6.038	-2.7	6.239	1.716	1.517	-8.217	0.69	6.861	-0.747	-0.402	-3.066	0.075	3.424	-1.326	-0.48	-1.558	0.708	0.982	-1.464	-0.026
ZINC03815323	1378	47.607	-5.536	4.385	-7.764	-4.541	6.101	0.66	-1.11	0.158	0.449	-1.364	-0.655	0.629	1.441	0.359	-0.46	-2.694	0.761	2.596	-0.78	-0.092	-0.995	-0.24	1.303	-0.361	-0.036	-0.434	-0.407	0.148	0.194	0.069	512.361	25.436	-2.763	-1.517	-5.001	0.754	5.779	-2.663	-2.418	0.929	1.074	0.92	-1.835	-1.019	1.737	0.121	0.204	-1.412	0.303	1.249	-0.236	-0.307	-0.605	0.471	0.469	-0.513	-0.378	0.021	0.221	0.265	-0.517	-0.117	548.726	25.038	-2.426	-0.588	-4.833	-0.132	4.92	-1.457	-1.843	0.72	0.993	0.194	-1.253	-0.408	1.443	0.116	-0.052	-1.447	0.443	1.238	-0.322	-0.221	-0.666	0.351	0.563	-0.404	-0.255	-0.045	0.112	0.15	-0.291	-0.043	1380.795	49.231	-5.585	4.081	-7.803	-4.583	6.459	0.483	-1.428	0.125	0.726	-1.306	-0.923	0.508	1.586	0.388	-0.339	-2.721	0.661	2.628	-0.758	-0.096	-0.959	-0.256	1.231	-0.366	-0.113	-0.416	-0.347	0.167	0.088	0.037	604.57	25.855	-2.419	-0.004	-4.969	-0.641	4.677	-0.936	-1.55	0.61	0.887	-0.131	-0.975	-0.139	1.321	0.118	-0.205	-1.513	0.534	1.304	-0.367	-0.19	-0.728	0.288	0.66	-0.364	-0.19	-0.095	0.028	0.113	-0.162	-0.008	1757.166	58.592	-7.667	6.848	-9.133	-6.412	7.001	1.131	-1.003	0.029	0.204	-1.816	-0.729	0.88	1.594	0.48	-0.364	-3.327	0.759	3.191	-0.981	-0.03	-1.02	-0.539	1.506	-0.382	0.037	-0.556	-0.589	0.179	0.244	0.096	3719.967	140.404	-11.486	5.816	-25.575	-10.637	21.363	-3.022	-7.327	0.051	3.657	-1.474	-5.964	-1.478	6.085	1.124	0.659	-7.523	0.659	7.576	-1.217	-0.546	-2.708	-0.124	2.733	-1.295	-1.203	-1.11	0.008	1.007	-1.066	-0.429
ZINC03815390	1431	33.095	-4.821	2.176	-7.591	-5.009	6.775	0.295	-0.888	0.017	0.697	-1.601	-0.089	0.485	1.307	0.647	-0.465	-2.638	1.06	2.246	-0.495	-0.153	-1.229	0.056	1.084	-0.158	0.109	-0.604	-0.19	0.341	0.195	0.062	586.602	23.3	-2.984	-1.669	-6.05	0.709	6.642	-2.514	-2.565	0.93	1.043	1.077	-1.649	-1.012	1.736	0.215	0.502	-1.426	0.23	1.148	-0.169	-0.178	-0.637	0.4	0.417	-0.454	-0.163	-0.123	0.223	0.512	-0.521	-0.105	597.74	21.701	-2.814	-0.91	-5.291	-0.265	5.502	-1.464	-1.786	0.614	0.996	0.208	-1.154	-0.416	1.44	0.213	0.151	-1.441	0.508	1.112	-0.246	-0.109	-0.718	0.35	0.52	-0.314	-0.136	-0.143	0.144	0.332	-0.277	-0.047	1454.33	34.701	-5.095	2.156	-8.068	-4.813	7.216	0.125	-1.287	0.071	0.902	-1.457	-0.328	0.333	1.455	0.667	-0.331	-2.652	0.899	2.296	-0.457	-0.169	-1.144	0.026	1.024	-0.197	0.062	-0.597	-0.154	0.409	0.054	0.033	642.382	21.685	-2.776	-0.494	-5.133	-0.885	5.177	-0.996	-1.435	0.474	0.914	-0.206	-0.884	-0.15	1.316	0.223	-0.039	-1.503	0.666	1.155	-0.279	-0.094	-0.812	0.326	0.61	-0.256	-0.099	-0.188	0.082	0.267	-0.142	-0.012	1817.128	38.673	-6.333	3.808	-8.92	-6.838	7.685	0.518	-0.735	-0.113	0.599	-2.066	0.085	0.631	1.404	0.866	-0.473	-3.226	1.089	2.764	-0.579	-0.186	-1.319	-0.103	1.196	-0.147	0.217	-0.804	-0.288	0.408	0.226	0.087	4440.028	102.125	-12.511	5.815	-34.252	-10.151	28.359	-3.128	-9.169	2.505	3.479	-1.749	-3.264	-1.377	5.545	1.782	1.244	-7.35	0.379	6.861	-0.322	-1.161	-2.138	0.463	1.724	-1.416	0.212	-1.313	-0.079	2.554	-1.603	-0.362
ZINC03815324	1711	53.793	-5.305	4.391	-8.899	-4.522	5.669	1.281	-0.934	0.11	-0.574	-1.829	-0.155	0.804	1.246	0.605	-0.842	-3.057	1.495	2.98	-1.085	-0.005	-1.357	0.173	1.669	-0.241	0.184	-0.46	-0.717	0.122	0.718	0.336	590.045	28.975	-2.939	-1.874	-5.161	1.015	5.858	-3.008	-2.496	1.039	1.053	0.796	-2.045	-0.764	1.749	0.155	0.125	-1.428	0.43	1.35	-0.269	-0.184	-0.53	0.539	0.542	-0.558	-0.254	-0.072	0.176	0.214	-0.441	0.025	654.671	28.544	-2.604	-0.578	-5.229	-0.144	4.975	-1.623	-1.815	0.732	0.809	-0.051	-1.348	-0.147	1.436	0.144	-0.12	-1.481	0.669	1.352	-0.373	-0.109	-0.681	0.469	0.658	-0.402	-0.15	-0.112	0.054	0.108	-0.161	0.1	1700.647	55.65	-5.515	3.966	-8.827	-4.498	6.064	1.046	-1.326	0.118	-0.179	-1.749	-0.439	0.696	1.401	0.594	-0.734	-3.045	1.359	3.014	-1.068	-0.011	-1.262	0.12	1.636	-0.262	0.08	-0.424	-0.641	0.112	0.598	0.314	733.385	29.544	-2.499	0.158	-5.51	-0.76	4.692	-0.989	-1.462	0.575	0.584	-0.443	-1.001	0.131	1.294	0.167	-0.288	-1.574	0.824	1.44	-0.429	-0.091	-0.807	0.441	0.77	-0.334	-0.08	-0.159	-0.051	0.076	0.005	0.146	2185.408	65.677	-7.661	6.797	-10.436	-6.159	6.269	2.072	-0.831	0.041	-1.102	-2.3	0.02	0.941	1.295	0.831	-0.862	-3.835	1.709	3.687	-1.438	0.095	-1.502	0.003	1.99	-0.25	0.309	-0.576	-1.004	0.15	0.956	0.401	4367.028	160.12	-8.371	2.467	-25.712	-10.233	22.212	-2.724	-6.904	0.437	2.31	-1.491	-5.091	-0.583	6.026	1.051	-0.662	-7.869	1.625	8.491	-1.768	-0.657	-2.742	0.229	4.347	-1.169	-0.898	-0.862	-0.518	0.755	-0.474	0.477
ZINC03815025	561	28.837	-2.695	0.745	-5.16	-2.966	4.615	-0.217	-0.922	0.1	0.286	0.227	-0.727	-0.082	1.134	0.538	-0.835	-1.47	0.023	1.568	-0.88	0.344	-1.272	-0.515	1.634	-0.4	0.036	-0.303	-0.18	0.291	-0.11	-0.067	391.983	19.227	-4.916	-0.915	-4.742	2.512	3.481	-0.898	-2.188	0.837	-0.492	1.934	-1.296	-0.807	1.722	0.312	0.347	-1.126	-0.329	1.261	-0.281	-0.062	-0.584	-0.25	0.887	-0.571	-0.209	-0.372	0.289	0.338	-0.553	-0.282	294.515	20.748	-2.499	-0.219	-4.11	0.764	3.471	-1.142	-1.448	0.627	0.161	1.057	-1.147	-0.79	1.464	0.127	0.081	-1.114	-0.085	1.124	-0.508	0.022	-0.77	-0.012	0.977	-0.544	-0.16	-0.018	0.03	0.358	-0.444	-0.099	559.36	29.056	-2.879	0.766	-5.308	-2.629	4.69	-0.272	-1.071	0.155	0.252	0.399	-0.804	-0.197	1.217	0.527	-0.738	-1.436	-0.1	1.597	-0.808	0.314	-1.237	-0.542	1.608	-0.374	0.005	-0.312	-0.171	0.331	-0.139	-0.098	330.645	21.231	-2.481	-0.202	-4.075	0.195	3.366	-0.861	-1.36	0.549	0.182	0.833	-1.034	-0.543	1.34	0.231	-0.111	-1.132	0.005	1.151	-0.578	0.054	-0.827	-0.055	1.037	-0.542	-0.124	-0.061	0.009	0.298	-0.392	-0.089	679.049	32.309	-3.414	1.483	-5.931	-4.067	5.213	-0.056	-0.749	-0.041	0.285	0.16	-0.709	0.044	1.122	0.661	-1.062	-1.612	-0.082	1.774	-0.975	0.457	-1.408	-0.768	1.86	-0.309	0.068	-0.435	-0.215	0.318	-0.054	-0.07	1566.138	92.052	-9.78	1.145	-18.288	-1.557	15.975	-2.564	-5.596	1.516	-0.141	4.148	-3.709	-2.766	5.437	0.97	-0.557	-4.144	-1.449	5.266	-1.757	0.44	-3.415	-1.409	4.627	-1.219	-0.448	-0.823	-0.351	1.627	-0.954	-0.621
ZINC03815106	496	27.483	-2.105	-0.345	-4.768	-2.667	4.401	0.037	-1.362	0.131	0.356	0.732	-0.658	-0.446	1.223	0.43	-0.202	-1.348	-0.339	1.621	-0.282	0.104	-0.901	-0.36	1.23	-0.088	-0.268	-0.343	-0.031	0.246	-0.106	-0.225	396.449	19.745	-4.99	-1.082	-4.725	2.136	3.671	-0.881	-2.367	0.689	-0.572	2.485	-1.156	-0.957	1.761	0.378	0.583	-1.089	-0.723	1.445	0.035	-0.11	-0.557	-0.406	0.731	-0.309	-0.251	-0.548	0.523	0.385	-0.444	-0.401	270.53	19.85	-2.312	-0.421	-3.839	0.439	3.366	-1.004	-1.505	0.494	0.055	1.355	-1.006	-0.909	1.359	0.17	0.298	-0.983	-0.344	1.165	-0.189	-0.094	-0.631	-0.011	0.789	-0.302	-0.261	-0.184	0.214	0.315	-0.336	-0.184	508.036	28.477	-2.523	-0.259	-5.064	-2.4	4.649	-0.095	-1.549	0.161	0.299	0.964	-0.752	-0.599	1.348	0.447	-0.074	-1.343	-0.496	1.705	-0.235	0.112	-0.903	-0.431	1.251	-0.051	-0.299	-0.379	-0.025	0.314	-0.129	-0.265	292.978	19.664	-2.193	-0.453	-3.672	-0.027	3.111	-0.683	-1.397	0.437	0.098	1.102	-0.878	-0.641	1.214	0.23	0.121	-0.997	-0.243	1.153	-0.219	-0.1	-0.647	-0.014	0.78	-0.304	-0.239	-0.191	0.215	0.237	-0.302	-0.157	612.915	31.747	-2.849	0.038	-5.623	-3.648	5.155	0.252	-1.453	-0.006	0.465	0.768	-0.675	-0.445	1.317	0.553	-0.25	-1.504	-0.53	1.893	-0.281	0.2	-0.954	-0.608	1.414	0.087	-0.324	-0.454	-0.1	0.29	-0.073	-0.287	1562.138	96.72	-11.17	-0.854	-18.916	-1.956	17.376	-2.789	-7.127	1.344	-0.564	6.694	-3.701	-4.333	6.154	1.071	1.763	-4.115	-3.054	6.089	-0.258	0.254	-2.944	-1.547	4.068	-0.08	-1.303	-1.474	0.142	1.812	-0.676	-1.309
ZINC04617810	780	31.954	-2.782	1.474	-5.871	-3.214	3.613	0.549	-0.628	0.288	0.141	-1.105	-0.391	0.392	1.311	0.116	-1.117	-1.501	0.656	1.467	-0.625	0.225	-1.102	0.108	0.95	0.202	0.048	-0.418	-0.05	-0.023	0.37	-0.043	314.64	20.073	-2.43	-0.871	-4.405	1.915	3.716	-1.991	-1.343	0.968	0.663	1.047	-1.317	-1.034	1.717	-0.229	0.045	-0.818	-0.256	1.031	-0.249	-0.186	-0.33	0.171	0.607	-0.186	-0.232	-0.019	0.107	0.254	-0.149	-0.166	331.77	19.96	-1.829	-0.434	-4.029	0.788	3.169	-1.192	-1.115	0.765	0.632	0.326	-0.977	-0.481	1.341	-0.195	-0.296	-0.9	0.117	0.924	-0.335	-0.119	-0.449	0.225	0.584	-0.166	-0.13	-0.025	0.03	0.147	-0.07	-0.075	785.499	32.998	-3.067	1.609	-6.054	-3.067	3.821	0.427	-0.842	0.393	0.29	-0.959	-0.569	0.199	1.458	0.108	-0.968	-1.478	0.46	1.538	-0.599	0.204	-1.011	0.042	0.971	0.202	-0.012	-0.434	0.002	0.006	0.326	-0.087	360.418	20.377	-1.659	-0.222	-3.996	0.2	3.009	-0.815	-0.968	0.66	0.559	-0.017	-0.777	-0.22	1.195	-0.159	-0.496	-0.95	0.3	0.914	-0.372	-0.077	-0.547	0.243	0.606	-0.14	-0.071	-0.049	-0.021	0.099	-0.004	-0.03	979.064	37.284	-3.879	2.566	-6.771	-4.61	3.848	1	-0.472	0.077	0.014	-1.44	-0.316	0.539	1.445	0.248	-1.25	-1.742	0.694	1.717	-0.727	0.368	-1.243	0.018	1.023	0.392	0.069	-0.581	0.002	-0.09	0.501	-0.085	2181.703	97.27	-9.924	4.787	-21.177	-3.993	14.143	-2.092	-4.699	2.521	1.322	1.024	-4.293	-2.698	6.917	-0.068	-0.628	-3.84	-1.669	5.525	-1.16	0.251	-1.962	-0.465	3.522	0.159	-0.863	-1.307	0.39	0.929	0.142	-0.758
ZINC04617809	780	31.954	-2.78	1.474	-5.871	-3.213	3.612	0.552	-0.63	0.289	0.141	-1.107	-0.388	0.389	1.311	0.118	-1.117	-1.501	0.655	1.468	-0.624	0.224	-1.102	0.109	0.949	0.204	0.048	-0.419	-0.048	-0.024	0.371	-0.045	314.64	20.072	-2.429	-0.871	-4.406	1.916	3.715	-1.99	-1.344	0.967	0.663	1.047	-1.315	-1.036	1.717	-0.228	0.045	-0.818	-0.258	1.031	-0.249	-0.187	-0.33	0.171	0.608	-0.186	-0.232	-0.019	0.107	0.255	-0.149	-0.167	331.77	19.959	-1.829	-0.434	-4.03	0.789	3.169	-1.19	-1.116	0.764	0.633	0.326	-0.976	-0.483	1.341	-0.193	-0.296	-0.9	0.115	0.924	-0.335	-0.12	-0.449	0.225	0.585	-0.165	-0.13	-0.026	0.03	0.147	-0.069	-0.076	785.499	32.998	-3.065	1.609	-6.055	-3.066	3.82	0.429	-0.844	0.394	0.289	-0.96	-0.567	0.197	1.458	0.11	-0.968	-1.478	0.458	1.538	-0.599	0.202	-1.011	0.043	0.97	0.204	-0.012	-0.435	0.004	0.005	0.327	-0.088	360.418	20.377	-1.658	-0.222	-3.996	0.2	3.008	-0.813	-0.969	0.659	0.559	-0.017	-0.776	-0.221	1.194	-0.157	-0.496	-0.95	0.299	0.914	-0.372	-0.078	-0.547	0.243	0.606	-0.139	-0.072	-0.05	-0.021	0.099	-0.003	-0.031	979.064	37.284	-3.877	2.565	-6.771	-4.609	3.846	1.003	-0.474	0.079	0.013	-1.441	-0.314	0.535	1.445	0.25	-1.25	-1.743	0.692	1.718	-0.726	0.366	-1.243	0.019	1.022	0.393	0.069	-0.582	0.004	-0.09	0.502	-0.087	2181.703	97.27	-9.921	4.787	-21.18	-3.99	14.138	-2.084	-4.703	2.521	1.322	1.022	-4.286	-2.705	6.918	-0.065	-0.627	-3.841	-1.673	5.526	-1.157	0.246	-1.96	-0.466	3.524	0.161	-0.863	-1.31	0.392	0.93	0.144	-0.761
ZINC03815339	780	32.013	-2.03	0.689	-6.213	-3.437	3.135	0.171	-0.158	0.296	0.136	-0.717	-0.655	0.853	1.358	0.564	-0.976	-1.755	1.068	1.482	-0.083	-0.256	-1.007	-0.305	0.893	0.09	0.003	-0.481	0.025	0.017	0.156	0.135	314.64	21.46	-2.985	-1.128	-4.359	1.597	3.631	-1.99	-1.118	1.215	0.756	1.088	-1.329	-0.972	1.595	0.083	0.105	-1.018	-0.029	1.06	-0.08	-0.19	-0.457	-0.033	0.519	-0.101	-0.307	-0.045	0.112	0.294	-0.275	-0.132	331.77	20.544	-1.994	-0.852	-4.057	0.506	3.054	-1.257	-0.847	0.896	0.695	0.393	-1.036	-0.388	1.263	0.089	-0.263	-1.047	0.349	0.963	-0.108	-0.217	-0.554	0.005	0.483	-0.118	-0.239	-0.05	0.05	0.185	-0.168	-0.028	785.499	33.693	-2.546	0.766	-6.423	-3.339	3.381	0.044	-0.326	0.389	0.295	-0.599	-0.797	0.675	1.511	0.595	-0.817	-1.764	0.86	1.548	-0.078	-0.232	-0.93	-0.366	0.923	0.118	-0.035	-0.498	0.062	0.048	0.104	0.076	360.418	20.583	-1.595	-0.679	-4.064	-0.069	2.86	-0.916	-0.686	0.746	0.611	0.081	-0.865	-0.106	1.133	0.116	-0.464	-1.081	0.546	0.954	-0.102	-0.236	-0.633	0.006	0.497	-0.115	-0.194	-0.076	0.009	0.137	-0.097	0.032	979.064	37.089	-2.818	1.572	-7.213	-4.781	3.186	0.462	0.066	0.103	-0.043	-0.944	-0.678	1.193	1.533	0.785	-1.08	-2.057	1.191	1.717	-0.078	-0.248	-1.066	-0.47	1.024	0.195	0.071	-0.68	0.095	-0.039	0.218	0.159	2181.703	106.053	-11.706	1.371	-22.408	-5.553	13.707	-2.72	-2.67	2.405	1.971	1.538	-4.494	-1.543	7.187	1.809	0.005	-4.828	-0.718	5.49	0.022	-0.29	-1.993	-1.422	3.491	0.493	-0.625	-1.27	0.446	0.992	-0.624	-0.595
ZINC04617808	780	32.013	-2.029	0.689	-6.214	-3.436	3.138	0.173	-0.159	0.295	0.136	-0.714	-0.654	0.851	1.355	0.565	-0.975	-1.754	1.066	1.484	-0.084	-0.257	-1.006	-0.307	0.897	0.09	0.002	-0.481	0.026	0.019	0.157	0.132	314.64	21.46	-2.984	-1.127	-4.361	1.598	3.633	-1.989	-1.118	1.213	0.756	1.09	-1.33	-0.974	1.595	0.083	0.106	-1.018	-0.032	1.062	-0.079	-0.19	-0.457	-0.035	0.521	-0.099	-0.308	-0.045	0.112	0.295	-0.273	-0.134	331.77	20.544	-1.993	-0.852	-4.058	0.506	3.055	-1.256	-0.848	0.895	0.695	0.395	-1.035	-0.389	1.262	0.091	-0.263	-1.047	0.347	0.963	-0.107	-0.217	-0.555	0.004	0.485	-0.117	-0.24	-0.051	0.051	0.186	-0.167	-0.03	785.499	33.692	-2.545	0.766	-6.424	-3.338	3.384	0.046	-0.327	0.387	0.294	-0.596	-0.796	0.673	1.509	0.595	-0.815	-1.763	0.857	1.55	-0.079	-0.233	-0.929	-0.368	0.927	0.118	-0.036	-0.498	0.063	0.05	0.106	0.073	360.418	20.583	-1.594	-0.679	-4.065	-0.069	2.862	-0.914	-0.687	0.745	0.611	0.083	-0.864	-0.108	1.132	0.117	-0.463	-1.081	0.544	0.955	-0.101	-0.236	-0.634	0.005	0.499	-0.114	-0.195	-0.077	0.01	0.138	-0.096	0.03	979.064	37.088	-2.817	1.571	-7.215	-4.78	3.189	0.464	0.066	0.102	-0.044	-0.941	-0.678	1.192	1.531	0.784	-1.079	-2.056	1.187	1.72	-0.08	-0.249	-1.064	-0.472	1.028	0.195	0.07	-0.679	0.095	-0.036	0.22	0.156	2181.703	106.049	-11.699	1.377	-22.417	-5.547	13.715	-2.717	-2.669	2.395	1.969	1.546	-4.498	-1.55	7.179	1.807	0.01	-4.829	-0.729	5.497	0.019	-0.291	-1.99	-1.429	3.505	0.498	-0.628	-1.267	0.448	1.001	-0.617	-0.603
ZINC04617792	903	27.219	-2.456	0.327	-6.661	-3.097	3.026	0.301	0.049	-0.131	-0.365	-0.857	-0.013	0.571	1.732	0.441	-0.919	-2.084	1.419	1.872	-0.306	-0.579	-0.947	-0.09	1.146	0.363	0.04	-0.689	-0.102	-0.011	0.333	0.265	344.714	19.312	-3.067	-1.004	-4.584	1.887	3.491	-2.212	-1.229	1.103	0.539	1.018	-1.183	-0.83	1.893	0.126	0.129	-1.11	0.005	1.054	-0.137	-0.27	-0.321	0.122	0.723	-0.241	-0.356	0.055	0.079	0.286	-0.292	-0.017	372.34	17.603	-2.147	-0.6	-4.415	0.658	2.866	-1.455	-0.823	0.761	0.37	0.334	-0.797	-0.28	1.564	0.089	-0.211	-1.164	0.427	1	-0.158	-0.278	-0.471	0.16	0.652	-0.163	-0.229	-0.028	-0.012	0.162	-0.127	0.057	904.032	28.893	-3.17	0.35	-6.795	-2.912	3.355	0.23	-0.244	-0.107	-0.076	-0.725	-0.204	0.442	1.898	0.422	-0.774	-2.084	1.206	1.956	-0.313	-0.577	-0.875	-0.153	1.191	0.364	-0.018	-0.704	-0.032	0.018	0.247	0.258	409.332	17.261	-1.712	-0.408	-4.515	0.029	2.635	-1.109	-0.572	0.61	0.208	0.018	-0.567	-0.037	1.441	0.104	-0.397	-1.218	0.65	1.012	-0.157	-0.302	-0.569	0.169	0.66	-0.11	-0.161	-0.089	-0.076	0.11	-0.021	0.096	1136.007	31.859	-3.474	1.001	-7.49	-4.335	3.214	0.826	0.285	-0.489	-0.546	-1.077	0.129	0.72	1.889	0.624	-1.017	-2.483	1.655	2.249	-0.384	-0.701	-1	-0.254	1.309	0.61	0.104	-0.966	-0.033	-0.069	0.448	0.325	2292.453	91.373	-12.513	-0.837	-21.241	-2.82	13.186	-2.243	-3.558	0.907	1.454	1.175	-2.676	-1.206	7.466	0.961	-0.099	-5.823	0.761	6.275	-0.622	-1.441	-2.247	-0.495	4.197	0.463	-0.963	-1.605	0.282	0.656	-0.285	0.491
ZINC04617793	903	34.436	-3.734	2.245	-6.416	-2.712	3.161	0.705	-0.402	0.015	0.153	-1.127	0.033	0.599	1.501	-0.017	-1.195	-1.811	0.991	2.022	-0.676	0.127	-1.36	0.254	0.863	0.361	0.156	-0.606	-0.08	-0.066	0.442	0.111	344.714	19.939	-2.434	-0.711	-4.541	2.408	3.813	-2.094	-1.403	0.986	0.795	1.006	-1.409	-0.945	1.868	-0.174	0.027	-0.902	-0.198	1.167	-0.284	-0.183	-0.371	0.221	0.676	-0.262	-0.241	0.048	0.086	0.281	-0.248	-0.068	372.34	19.766	-1.956	-0.06	-4.32	1.108	3.107	-1.252	-1.101	0.739	0.66	0.279	-0.959	-0.354	1.493	-0.196	-0.282	-0.986	0.191	1.081	-0.346	-0.108	-0.528	0.284	0.603	-0.184	-0.109	-0.03	-0.011	0.153	-0.1	0.016	904.032	35.086	-4.086	2.312	-6.553	-2.495	3.478	0.636	-0.741	0.048	0.412	-0.987	-0.211	0.436	1.669	-0.037	-1.05	-1.773	0.786	2.12	-0.685	0.081	-1.267	0.168	0.913	0.349	0.083	-0.611	-0.011	-0.033	0.347	0.102	409.332	20.359	-1.816	0.257	-4.394	0.458	2.85	-0.869	-0.883	0.622	0.525	-0.068	-0.691	-0.081	1.343	-0.183	-0.475	-1.048	0.394	1.086	-0.369	-0.069	-0.652	0.319	0.602	-0.129	-0.036	-0.087	-0.074	0.099	0.007	0.054	1136.007	40.988	-5.335	3.499	-7.164	-4.003	3.324	1.309	-0.203	-0.297	0.053	-1.398	0.271	0.747	1.617	0.064	-1.369	-2.158	1.135	2.436	-0.823	0.217	-1.563	0.178	0.897	0.624	0.2	-0.843	-0.002	-0.15	0.596	0.089	2292.453	98.227	-11.482	4.1	-20.729	-1.162	13.578	-1.198	-5.075	1.447	2.449	0.733	-3.354	-1.295	7.017	-0.456	-0.993	-4.729	-0.245	6.807	-1.522	-0.391	-3.008	0.092	3.501	0.348	-0.698	-1.294	0.378	0.719	-0.074	0.162
ZINC03815184	903	34.435	-3.732	2.245	-6.417	-2.711	3.164	0.706	-0.402	0.013	0.153	-1.126	0.035	0.598	1.499	-0.015	-1.195	-1.81	0.991	2.021	-0.677	0.126	-1.359	0.254	0.864	0.36	0.157	-0.609	-0.08	-0.064	0.44	0.111	344.714	19.938	-2.432	-0.711	-4.542	2.408	3.813	-2.092	-1.404	0.985	0.795	1.006	-1.408	-0.946	1.867	-0.174	0.027	-0.901	-0.199	1.167	-0.285	-0.182	-0.371	0.22	0.676	-0.262	-0.239	0.046	0.086	0.28	-0.248	-0.067	372.34	19.765	-1.955	-0.06	-4.321	1.109	3.107	-1.251	-1.101	0.737	0.66	0.279	-0.958	-0.354	1.492	-0.196	-0.282	-0.985	0.19	1.08	-0.347	-0.107	-0.527	0.284	0.604	-0.184	-0.108	-0.032	-0.011	0.153	-0.101	0.016	904.032	35.085	-4.084	2.312	-6.554	-2.493	3.481	0.638	-0.742	0.046	0.412	-0.986	-0.209	0.434	1.667	-0.036	-1.05	-1.772	0.785	2.119	-0.686	0.081	-1.266	0.168	0.914	0.347	0.084	-0.614	-0.01	-0.032	0.346	0.101	409.332	20.358	-1.815	0.257	-4.395	0.459	2.85	-0.868	-0.883	0.621	0.525	-0.068	-0.69	-0.081	1.341	-0.182	-0.475	-1.047	0.394	1.085	-0.37	-0.069	-0.651	0.319	0.602	-0.129	-0.035	-0.088	-0.074	0.099	0.007	0.054	1136.007	40.988	-5.332	3.499	-7.166	-4.002	3.327	1.31	-0.203	-0.3	0.053	-1.397	0.275	0.745	1.614	0.066	-1.369	-2.157	1.134	2.436	-0.824	0.216	-1.561	0.178	0.898	0.622	0.201	-0.846	-0.001	-0.148	0.594	0.088	2292.453	98.22	-11.469	4.101	-20.736	-1.162	13.582	-1.188	-5.078	1.44	2.449	0.735	-3.345	-1.303	7.014	-0.453	-0.99	-4.726	-0.252	6.808	-1.524	-0.387	-3.008	0.089	3.505	0.343	-0.691	-1.304	0.383	0.72	-0.077	0.165
ZINC04617794	903	27.219	-2.458	0.326	-6.662	-3.098	3.027	0.302	0.046	-0.131	-0.364	-0.857	-0.014	0.572	1.732	0.441	-0.919	-2.085	1.419	1.873	-0.306	-0.578	-0.949	-0.09	1.147	0.364	0.037	-0.688	-0.099	-0.01	0.335	0.263	344.714	19.313	-3.068	-1.004	-4.584	1.888	3.491	-2.213	-1.229	1.103	0.54	1.018	-1.185	-0.831	1.893	0.128	0.129	-1.112	0.004	1.055	-0.137	-0.27	-0.322	0.123	0.723	-0.24	-0.359	0.056	0.081	0.288	-0.292	-0.019	372.34	17.604	-2.148	-0.601	-4.415	0.659	2.866	-1.455	-0.823	0.761	0.371	0.334	-0.798	-0.28	1.564	0.09	-0.211	-1.166	0.426	1.001	-0.158	-0.278	-0.472	0.161	0.652	-0.162	-0.232	-0.027	-0.01	0.163	-0.127	0.056	904.032	28.893	-3.172	0.349	-6.796	-2.912	3.356	0.231	-0.247	-0.107	-0.075	-0.725	-0.204	0.441	1.899	0.422	-0.774	-2.086	1.206	1.958	-0.313	-0.576	-0.877	-0.152	1.192	0.366	-0.022	-0.703	-0.029	0.019	0.249	0.255	409.332	17.262	-1.713	-0.408	-4.515	0.029	2.635	-1.109	-0.573	0.611	0.209	0.018	-0.568	-0.036	1.44	0.105	-0.398	-1.219	0.649	1.013	-0.157	-0.302	-0.57	0.17	0.66	-0.109	-0.163	-0.088	-0.075	0.111	-0.02	0.095	1136.007	31.859	-3.476	1	-7.491	-4.336	3.216	0.827	0.282	-0.489	-0.545	-1.078	0.128	0.72	1.889	0.624	-1.018	-2.485	1.656	2.25	-0.384	-0.7	-1.002	-0.253	1.31	0.612	0.1	-0.964	-0.03	-0.069	0.451	0.323	2292.453	91.375	-12.516	-0.838	-21.244	-2.821	13.188	-2.24	-3.564	0.905	1.458	1.175	-2.679	-1.211	7.466	0.965	-0.098	-5.832	0.759	6.281	-0.622	-1.44	-2.255	-0.493	4.201	0.47	-0.976	-1.604	0.292	0.66	-0.282	0.481
ZINC04617801	990	37.871	-2.82	1.03	-6.184	-4.071	3.718	-0.268	-0.259	-0.358	0.021	-0.684	0.104	0.691	1.536	0.519	-0.971	-1.979	1.261	1.582	-0.181	-0.361	-1.183	-0.114	1.108	-0.056	0.123	-0.503	-0.25	0.313	0.312	0.201	408.46	24.227	-2.631	-1.034	-5.165	0.601	4.569	-2.45	-1.553	1.096	0.716	1.177	-1.174	-1.159	1.916	-0.127	0.166	-0.861	-0.149	0.951	-0.203	-0.2	-0.423	-0.008	0.466	-0.246	-0.32	-0.049	0.088	0.38	-0.212	-0.109	420.569	22.639	-1.857	-0.743	-4.617	-0.171	3.63	-1.576	-1.101	0.768	0.732	0.429	-0.841	-0.405	1.496	-0.062	-0.221	-1.009	0.383	0.907	-0.174	-0.222	-0.523	0.091	0.505	-0.229	-0.236	-0.028	-0.038	0.295	-0.121	-0.003	1005.501	39.523	-3.499	1.225	-6.488	-3.991	4.226	-0.492	-0.511	-0.353	0.16	-0.543	-0.033	0.42	1.728	0.475	-0.855	-1.896	0.977	1.647	-0.201	-0.358	-1.148	-0.206	1.116	-0.036	0.079	-0.512	-0.189	0.327	0.263	0.176	451.993	22.733	-1.539	-0.59	-4.489	-0.684	3.284	-1.182	-0.871	0.626	0.655	0.092	-0.631	-0.06	1.339	0.005	-0.419	-1.108	0.648	0.924	-0.147	-0.242	-0.607	0.131	0.556	-0.214	-0.178	-0.056	-0.102	0.258	-0.041	0.051	1243.787	44.65	-4.128	2.031	-6.887	-5.392	3.803	-0.079	0.026	-0.826	-0.219	-0.887	0.325	0.904	1.693	0.792	-1.114	-2.363	1.413	1.889	-0.209	-0.412	-1.35	-0.271	1.28	0.046	0.251	-0.736	-0.253	0.329	0.419	0.263	2899.235	126.194	-12.925	4.49	-21.611	-10.859	20.923	-6.18	-5.663	-0.281	-0.18	1.713	-2.071	-2.609	7.337	0.123	-0.692	-3.732	-1.101	5.049	-1.087	-1.184	-3.188	-1.354	2.737	-0.177	-0.606	-1.202	0.29	1.143	0.021	0.291
ZINC04617802	990	35.928	-3.949	2.347	-6.258	-3.528	3.938	0.156	-0.534	0.183	0.222	-1.168	0.143	0.634	1.31	-0.054	-1.178	-1.717	0.915	1.787	-0.797	0.184	-1.322	0.202	1.013	0.156	0.179	-0.443	-0.221	0.2	0.507	0.038	408.46	21.741	-2.39	-0.847	-5.137	1.417	4.68	-2.432	-1.645	1.157	0.761	1.039	-1.264	-1.103	1.98	-0.428	0.096	-0.683	-0.289	1.057	-0.324	-0.17	-0.391	0.149	0.624	-0.287	-0.124	0.033	0.111	0.302	-0.151	-0.187	420.569	21.004	-1.891	-0.248	-4.553	0.51	3.733	-1.452	-1.28	0.924	0.774	0.239	-0.876	-0.381	1.504	-0.378	-0.285	-0.874	0.163	0.993	-0.383	-0.12	-0.519	0.244	0.612	-0.221	-0.066	0.015	-0.019	0.215	-0.048	-0.065	1005.501	36.795	-4.398	2.509	-6.55	-3.382	4.38	-0.076	-0.823	0.225	0.355	-0.969	-0.023	0.374	1.497	-0.097	-1.043	-1.605	0.667	1.867	-0.781	0.166	-1.246	0.116	1.034	0.14	0.146	-0.452	-0.171	0.221	0.438	0.007	451.993	21.481	-1.765	0.04	-4.417	-0.059	3.403	-1.004	-1.076	0.823	0.702	-0.146	-0.643	-0.049	1.318	-0.329	-0.501	-0.982	0.387	1.007	-0.416	-0.09	-0.633	0.287	0.636	-0.175	-0.022	-0.026	-0.08	0.174	0.046	-0.009	1243.787	42.65	-5.705	3.694	-7.031	-4.902	4.09	0.454	-0.275	-0.16	0.054	-1.446	0.401	0.783	1.386	0.092	-1.345	-2.041	1.033	2.14	-0.975	0.304	-1.508	0.126	1.083	0.343	0.248	-0.629	-0.218	0.206	0.671	0.031	2899.235	107.072	-14.537	6.188	-21.967	-8.231	20.425	-5.136	-6.495	1.941	0.474	1.322	-2.391	-2.309	6.941	-1.311	-1.115	-2.523	-1.414	5.971	-1.717	0.075	-2.879	-0.482	2.92	-0.232	-0.126	-1.081	0.34	0.999	0.177	-0.107
ZINC04617803	990	35.839	-4.11	2.261	-6.217	-3.756	4.008	0.242	-0.681	0.081	0.426	-1.333	0.1	0.557	1.283	0.033	-1.288	-1.67	0.873	1.829	-0.848	0.235	-1.349	0.144	1.017	0.162	0.251	-0.39	-0.21	0.128	0.495	-0.012	408.46	21.66	-2.508	-0.827	-5.006	1.126	4.633	-2.416	-1.669	1.118	0.795	1.014	-1.259	-1.073	1.973	-0.404	0.038	-0.681	-0.321	1.047	-0.329	-0.147	-0.388	0.119	0.62	-0.269	-0.109	0.036	0.097	0.291	-0.146	-0.201	420.569	20.964	-1.978	-0.264	-4.47	0.292	3.737	-1.413	-1.322	0.877	0.848	0.194	-0.894	-0.367	1.487	-0.359	-0.337	-0.86	0.137	0.979	-0.389	-0.092	-0.525	0.21	0.611	-0.207	-0.046	0.021	-0.015	0.185	-0.052	-0.088	1005.501	36.71	-4.603	2.441	-6.492	-3.654	4.465	0.007	-0.967	0.12	0.539	-1.115	-0.061	0.311	1.465	-0.007	-1.152	-1.568	0.63	1.903	-0.839	0.212	-1.279	0.066	1.04	0.145	0.224	-0.394	-0.167	0.151	0.428	-0.034	451.993	21.452	-1.835	0.004	-4.353	-0.245	3.423	-0.954	-1.128	0.773	0.799	-0.207	-0.67	-0.049	1.297	-0.311	-0.552	-0.961	0.363	0.994	-0.422	-0.059	-0.64	0.249	0.635	-0.163	0	-0.018	-0.069	0.135	0.038	-0.038	1243.787	42.53	-5.906	3.594	-7.013	-5.137	4.178	0.55	-0.465	-0.29	0.312	-1.659	0.35	0.682	1.354	0.218	-1.488	-1.977	0.974	2.209	-1.05	0.364	-1.547	0.061	1.088	0.349	0.344	-0.559	-0.207	0.122	0.657	-0.027	2899.235	107.02	-15.79	6.246	-21.621	-9.978	20.63	-5.059	-6.992	1.644	0.652	1.216	-2.41	-2.304	6.954	-0.972	-1.529	-2.667	-1.494	6.062	-1.973	0.098	-3.022	-0.552	2.969	-0.203	0.181	-0.737	0.108	0.842	0.238	-0.048
ZINC03815267	990	37.236	-3.99	0.95	-6.563	-3.902	3.341	-0.383	-0.488	0.163	0.203	-0.624	-0.069	0.889	1.146	0.325	-0.939	-1.853	1.16	1.657	-0.332	-0.268	-1.126	-0.166	1.081	0.024	-0.003	-0.606	-0.106	0.193	0.435	0.148	408.46	24.273	-2.946	-1.212	-5.267	0.886	4.501	-2.455	-1.66	1.161	0.792	1.154	-1.265	-1.134	1.756	-0.13	0.269	-0.8	-0.086	1.002	-0.012	-0.131	-0.464	-0.045	0.557	-0.274	-0.279	-0.049	0.142	0.295	-0.213	-0.154	420.569	22.626	-2.201	-0.843	-4.719	0.052	3.52	-1.571	-1.307	0.825	0.785	0.375	-0.896	-0.4	1.351	-0.065	-0.119	-0.902	0.362	0.952	-0.097	-0.179	-0.592	0.027	0.566	-0.197	-0.213	-0.071	0.038	0.212	-0.074	-0.047	1005.501	38.862	-4.729	1.027	-6.873	-3.795	3.854	-0.613	-0.726	0.2	0.354	-0.441	-0.22	0.658	1.322	0.304	-0.794	-1.791	0.915	1.729	-0.321	-0.272	-1.068	-0.246	1.091	-0.001	-0.043	-0.606	-0.057	0.218	0.369	0.125	451.993	22.676	-1.912	-0.636	-4.607	-0.493	3.144	-1.17	-1.121	0.695	0.702	0.024	-0.68	-0.062	1.188	-0.017	-0.33	-0.984	0.59	0.961	-0.12	-0.204	-0.683	0.051	0.602	-0.144	-0.167	-0.116	-0.017	0.176	0.025	0.007	1243.787	43.742	-5.666	1.961	-7.345	-5.179	3.324	-0.288	-0.16	-0.065	-0.005	-0.749	0.082	1.209	1.186	0.52	-1.102	-2.242	1.307	1.961	-0.436	-0.31	-1.22	-0.307	1.222	0.111	0.052	-0.832	-0.066	0.19	0.564	0.198	2899.235	124.084	-18.471	1.191	-23.464	-10.554	19.844	-5.837	-5.967	1.784	0.931	2.921	-2.971	-1.769	6.132	-0.012	-0.295	-3.397	-0.461	5.464	-0.479	-0.616	-2.225	-1.074	3.151	-0.486	-0.803	-1.276	0.39	1.156	-0.024	0.235
ZINC04617798	1830	56.661	-11.358	9.211	-10.767	-3.512	3.279	1.736	0.683	-0.185	-1.097	-1.994	0.352	1.262	1.905	0.489	-2.051	-2.549	1.827	2.743	-1.098	-0.272	-1.722	0.352	1.159	0.43	-0.102	-0.837	-0.742	-0.365	1.225	-0.021	559.271	26.407	-3.436	-0.845	-5.519	3.183	4.037	-2.578	-1.529	1.019	0.741	0.454	-1.754	-0.524	1.947	-0.081	-0.332	-0.826	0.285	0.879	-0.446	-0.246	-0.414	0.21	0.448	-0.209	-0.242	-0.015	-0.059	0.135	-0.105	-0.053	656.033	27.864	-3.555	0.721	-5.743	1.448	3.244	-1.282	-1.005	0.642	0.426	-0.404	-1.06	0.097	1.663	-0.082	-0.659	-1.059	0.697	1	-0.491	-0.181	-0.684	0.272	0.532	-0.099	-0.192	-0.156	-0.189	0.034	0.127	0.007	1799.343	56.966	-11.102	9.023	-10.783	-3.19	3.676	1.558	0.268	-0.116	-0.667	-1.972	0.07	1.154	2.031	0.449	-1.909	-2.512	1.643	2.735	-1.103	-0.311	-1.607	0.245	1.17	0.44	-0.162	-0.787	-0.65	-0.38	1.139	-0.041	753.505	29.852	-3.99	1.639	-6.149	0.566	2.944	-0.654	-0.655	0.461	0.158	-0.809	-0.678	0.381	1.568	-0.049	-0.886	-1.208	0.93	1.13	-0.521	-0.165	-0.867	0.315	0.61	-0.037	-0.158	-0.258	-0.292	-0.01	0.286	0.031	2342.289	69.121	-15.886	13.185	-12.479	-5.118	3.465	2.51	1.205	-0.397	-1.588	-2.275	0.653	1.517	2.029	0.805	-2.41	-3.166	2.09	3.443	-1.411	-0.291	-1.921	0.317	1.291	0.654	-0.096	-1.03	-0.855	-0.571	1.615	-0.074	4001.07	139.416	-21.543	16.165	-29.41	-1.968	14.765	-0.088	-2.892	0.47	0.704	-1.819	-3.036	0.304	7.4	0.543	-2.846	-5.774	1.726	7.141	-2.157	-1.378	-3.644	0.145	3.693	0.743	-1.033	-1.593	-0.821	-0.155	1.357	-0.193
ZINC03815217	1830	48.191	-9.453	3.998	-10.014	-3.94	2.434	1.549	0.852	0.377	-1.004	-1.397	-0.041	1.585	2.253	0.293	-2.014	-2.779	2.151	2.857	-0.874	-0.416	-1.47	-0.066	1.127	0.572	0	-0.834	-0.653	-0.275	1.282	0.005	559.271	24.518	-4.044	-1.6	-5.476	2.406	3.525	-2.82	-1.362	1.266	0.656	0.656	-1.641	-0.581	2.174	-0.24	-0.139	-1.004	0.393	1.044	-0.366	-0.186	-0.326	0.093	0.62	-0.23	-0.32	0.052	-0.014	0.212	-0.155	0.033	656.033	24.66	-3.577	-0.528	-5.725	0.731	2.871	-1.534	-0.767	0.86	0.492	-0.159	-1.048	0.114	1.886	-0.172	-0.504	-1.158	0.868	1.191	-0.374	-0.129	-0.615	0.111	0.658	-0.11	-0.228	-0.098	-0.131	0.101	0.129	0.054	1799.343	49.519	-9.698	3.836	-9.971	-3.682	2.813	1.337	0.452	0.387	-0.615	-1.386	-0.293	1.405	2.402	0.223	-1.85	-2.758	1.945	2.85	-0.877	-0.421	-1.379	-0.152	1.171	0.573	-0.079	-0.772	-0.563	-0.29	1.177	0.026	753.505	25.785	-3.602	0.045	-6.116	-0.119	2.607	-0.902	-0.401	0.705	0.287	-0.522	-0.718	0.453	1.798	-0.114	-0.752	-1.28	1.126	1.332	-0.388	-0.13	-0.787	0.123	0.706	-0.035	-0.17	-0.204	-0.227	0.049	0.313	0.06	2342.289	58.555	-13.377	6.303	-11.441	-5.381	2.299	2.391	1.293	0.336	-1.556	-1.546	0.063	1.944	2.424	0.566	-2.408	-3.495	2.521	3.492	-1.157	-0.528	-1.612	-0.201	1.184	0.891	0.067	-1.071	-0.768	-0.452	1.647	-0.046	4001.07	127.999	-21.914	5.109	-27.33	-4.026	12.192	-1.094	-2.116	1.145	0.807	-0.699	-3.448	0.508	8.678	-0.418	-2.238	-6.588	2.158	7.564	-1.589	-1.252	-3.261	-0.671	4.195	0.766	-1.086	-1.386	-0.608	-0.008	1.34	0.169
ZINC04617797	1830	56.089	-11.376	9.252	-11.04	-3.508	3.49	1.686	0.924	-0.225	-1.117	-2.107	0.091	1.22	1.956	0.436	-2.131	-2.62	1.864	2.823	-0.949	-0.249	-1.627	0.475	1.142	0.439	0	-0.706	-0.677	-0.261	1.246	-0.096	559.271	26.349	-3.486	-0.859	-5.494	3.265	4.034	-2.594	-1.485	0.983	0.856	0.443	-1.775	-0.522	1.944	-0.119	-0.354	-0.882	0.278	0.898	-0.4	-0.199	-0.42	0.212	0.444	-0.224	-0.248	-0.044	-0.016	0.128	-0.099	-0.089	656.033	27.744	-3.616	0.667	-5.745	1.509	3.267	-1.296	-0.944	0.616	0.525	-0.416	-1.122	0.094	1.66	-0.116	-0.69	-1.101	0.692	1.02	-0.417	-0.136	-0.671	0.29	0.536	-0.11	-0.18	-0.148	-0.143	0.045	0.119	-0.035	1799.343	56.447	-11.131	9.053	-11.019	-3.178	3.884	1.508	0.495	-0.16	-0.671	-2.067	-0.156	1.105	2.091	0.386	-1.993	-2.584	1.672	2.818	-0.953	-0.27	-1.532	0.362	1.146	0.433	-0.081	-0.678	-0.585	-0.279	1.16	-0.115	753.505	29.681	-4.053	1.572	-6.178	0.614	2.986	-0.669	-0.577	0.44	0.244	-0.829	-0.77	0.376	1.566	-0.08	-0.922	-1.245	0.928	1.151	-0.431	-0.126	-0.84	0.345	0.616	-0.041	-0.131	-0.226	-0.245	0.013	0.274	-0.015	2342.289	68.361	-15.868	13.321	-12.878	-5.117	3.755	2.446	1.52	-0.45	-1.669	-2.427	0.318	1.461	2.103	0.747	-2.513	-3.262	2.148	3.556	-1.251	-0.277	-1.807	0.484	1.257	0.664	0.035	-0.873	-0.785	-0.431	1.659	-0.161	4001.07	138.547	-21.759	16.006	-29.53	-1.776	15.167	-0.175	-2.417	0.288	0.982	-1.921	-3.297	0.125	7.588	0.287	-3.108	-6.041	1.708	7.33	-1.703	-1.113	-3.606	0.327	3.615	0.616	-1.005	-1.49	-0.62	0.016	1.424	-0.408
ZINC04617799	1830	48.518	-9.726	4.946	-10.359	-4.065	2.343	1.484	0.425	0.18	-1.287	-1.58	0.097	1.825	2.173	0.689	-1.812	-2.752	1.928	2.841	-0.944	-0.495	-1.184	0.196	1.504	0.662	-0.118	-0.77	-0.668	-0.355	1.188	0.166	559.271	24.917	-4.113	-1.609	-5.445	2.415	3.633	-2.856	-1.413	1.227	0.553	0.581	-1.533	-0.491	2.127	-0.053	-0.111	-1.152	0.301	1.007	-0.319	-0.238	-0.219	0.169	0.626	-0.147	-0.287	0.052	-0.006	0.143	-0.115	0.051	656.033	25.018	-3.68	-0.456	-5.716	0.737	2.923	-1.574	-0.855	0.808	0.311	-0.236	-0.947	0.201	1.86	-0.016	-0.491	-1.29	0.763	1.134	-0.347	-0.196	-0.479	0.239	0.743	-0.002	-0.198	-0.083	-0.123	0.035	0.135	0.086	1799.343	49.875	-9.936	4.743	-10.292	-3.809	2.728	1.272	0.062	0.217	-0.866	-1.573	-0.162	1.672	2.335	0.639	-1.644	-2.738	1.721	2.834	-0.936	-0.502	-1.075	0.091	1.519	0.653	-0.186	-0.726	-0.574	-0.367	1.115	0.172	753.505	26.125	-3.732	0.19	-6.133	-0.122	2.632	-0.941	-0.526	0.64	0.062	-0.605	-0.62	0.539	1.778	0.039	-0.736	-1.398	1.012	1.264	-0.374	-0.203	-0.639	0.277	0.834	0.084	-0.148	-0.182	-0.222	-0.015	0.295	0.106	2342.289	58.882	-13.712	7.639	-11.952	-5.561	2.15	2.286	0.73	0.049	-1.805	-1.784	0.238	2.274	2.286	1.075	-2.124	-3.408	2.235	3.525	-1.263	-0.596	-1.26	0.105	1.682	0.937	-0.129	-0.966	-0.796	-0.543	1.544	0.174	4001.07	129.341	-22.336	6.573	-27.89	-4.262	12.16	-1.399	-2.877	1.007	0.209	-1.122	-3.137	1.16	8.652	0.877	-1.702	-6.7	1.588	7.481	-1.632	-1.524	-2.398	-0.124	4.812	1.049	-1.207	-1.6	-0.639	-0.246	1.433	0.44
ZINC03815395	780	26.791	-5.143	2.015	-6.245	-1.9	4.521	0.903	-1.37	0.875	-0.885	0.098	0.24	-0.01	1.756	0.011	-0.483	-1.862	0.624	2.406	-0.596	-0.431	-0.975	-0.054	1.17	0.222	-0.022	-0.617	-0.102	0.284	0.449	0.025	314.64	17.453	-3.19	-0.884	-4.28	1.494	4.888	-2.079	-1.835	1.031	0.16	1.662	-1.374	-1.27	2.096	-0.178	0.397	-0.967	-0.319	1.444	-0.178	-0.171	-0.458	0.115	0.785	-0.33	-0.22	-0.093	0.04	0.408	-0.406	-0.006	331.77	15.744	-2.758	-0.25	-4.214	0.432	4.016	-1.153	-1.447	0.851	0.035	0.92	-0.915	-0.684	1.74	-0.158	0.137	-1.026	0.061	1.358	-0.229	-0.156	-0.568	0.137	0.711	-0.263	-0.18	-0.093	-0.028	0.278	-0.214	0.015	785.499	28.044	-5.457	2.041	-6.411	-1.825	4.94	0.773	-1.697	0.803	-0.581	0.258	0.004	-0.151	1.904	-0.038	-0.357	-1.856	0.449	2.478	-0.613	-0.445	-0.92	-0.103	1.236	0.233	-0.077	-0.65	-0.039	0.322	0.344	0.046	360.418	15.524	-2.65	0.068	-4.347	-0.038	3.711	-0.723	-1.233	0.809	-0.129	0.601	-0.643	-0.436	1.601	-0.126	-0.014	-1.075	0.245	1.376	-0.248	-0.163	-0.65	0.14	0.713	-0.222	-0.144	-0.119	-0.078	0.233	-0.086	0.024	979.064	32.278	-7.154	3.249	-6.803	-2.649	4.972	1.49	-1.543	0.91	-1.17	0.054	0.559	0.04	1.831	0.048	-0.566	-2.229	0.663	2.864	-0.775	-0.57	-1.003	-0.172	1.314	0.467	0.011	-0.86	-0.053	0.331	0.645	0.013	2029.181	83.306	-14.358	3.09	-20.622	-0.884	18.002	-1.3	-6.798	1.949	0.419	3.373	-2.808	-2.427	7.369	-0.595	0.404	-4.879	-0.475	7.488	-1.176	-1.205	-2.421	-0.293	4.08	0.205	-0.797	-1.672	0.179	1.451	-0.171	0.302
ZINC00021592	666	35.19	-1.815	0.732	-4.742	-3.73	6.436	0.112	-1.641	-0.058	0.711	-0.55	-0.891	0.481	0.757	0.955	-0.525	-1.846	0.338	1.475	-0.169	0.065	-1.282	-0.013	1.259	-0.28	0.174	-0.226	0.044	-0.021	0.081	-0.16	304.294	24.95	-2.161	-1.063	-3.894	0.563	5.514	-1.613	-2.522	0.287	0.57	1.591	-1.579	-1.109	1.273	0.367	0.424	-1.114	-0.377	0.866	-0.024	-0.217	-0.715	0.328	0.818	-0.253	-0.363	0.012	0.171	0.402	-0.252	-0.281	307.708	24.007	-1.897	-0.811	-3.494	-0.05	4.401	-0.891	-1.95	0.14	0.623	0.744	-1.139	-0.573	1.002	0.413	0.079	-1.098	-0.086	0.858	-0.119	-0.205	-0.716	0.315	0.791	-0.326	-0.224	0.027	0.152	0.23	-0.206	-0.161	671.137	36.049	-1.842	0.759	-5.022	-3.624	6.841	-0.008	-1.846	-0.055	0.775	-0.314	-1.074	0.293	0.895	0.965	-0.422	-1.841	0.174	1.493	-0.113	0.055	-1.261	-0.039	1.259	-0.254	0.133	-0.22	0.033	0.046	0.059	-0.215	329.392	24.38	-1.763	-0.721	-3.368	-0.523	4.168	-0.599	-1.741	0.078	0.626	0.391	-0.961	-0.319	0.882	0.46	-0.087	-1.137	0.056	0.896	-0.16	-0.184	-0.762	0.295	0.826	-0.348	-0.153	0.015	0.132	0.153	-0.156	-0.125	843.68	40.403	-2.203	2.019	-5.87	-5.127	7.895	0.247	-1.669	-0.086	0.794	-0.8	-1.088	0.722	0.86	1.163	-0.601	-2.2	0.324	1.767	-0.146	0.189	-1.48	-0.196	1.412	-0.231	0.303	-0.334	0.035	-0.05	0.111	-0.196	1892.929	119.107	-6.576	0.134	-17.414	-6.261	24.962	-2.88	-8.533	0.298	2.308	3.129	-5.376	-1.883	4.432	2.317	0.376	-5.427	-1.056	4.648	-0.037	-0.222	-3.653	0.259	4.019	-0.719	-0.47	-0.383	0.003	1.045	-0.081	-1.27
ZINC03815265	666	33.717	-1.996	0.199	-4.919	-3.224	5.489	0.344	-1.558	0.068	0.816	-0.471	-0.948	0.075	0.765	0.904	-0.166	-1.69	0.198	1.56	-0.121	0.109	-1.213	-0.145	1.09	-0.227	-0.053	-0.244	0.072	-0.04	0.065	-0.047	376.249	24.9	-3.314	-0.935	-4.463	1.722	4.932	-1.631	-2.192	0.167	0.793	1.768	-1.428	-1.176	1.095	0.281	0.374	-1.158	-0.403	1.248	-0.167	-0.087	-0.74	0.038	0.804	-0.345	-0.32	-0.003	0.202	0.261	-0.156	-0.179	328.373	23.543	-2.216	-0.816	-3.8	0.405	3.977	-0.933	-1.815	0.207	0.77	0.832	-1.099	-0.69	0.917	0.364	0.121	-1.121	-0.05	1.036	-0.177	-0.106	-0.693	0.148	0.722	-0.32	-0.27	0	0.183	0.171	-0.203	-0.096	682.856	34.657	-2.21	0.344	-5.287	-2.975	5.881	0.217	-1.729	0.05	0.855	-0.202	-1.088	-0.071	0.885	0.91	-0.075	-1.71	0.063	1.615	-0.065	0.103	-1.211	-0.189	1.104	-0.206	-0.071	-0.225	0.06	0.005	0.055	-0.089	351.439	23.76	-2.105	-0.718	-3.716	0	3.639	-0.605	-1.595	0.157	0.78	0.454	-0.928	-0.489	0.826	0.393	0.012	-1.145	0.066	1.07	-0.219	-0.095	-0.733	0.131	0.743	-0.353	-0.214	-0.007	0.163	0.11	-0.152	-0.065	841.416	38.72	-2.409	1.194	-6.01	-4.501	6.733	0.627	-1.543	0.019	0.843	-0.677	-1.152	0.233	0.872	1.138	-0.115	-1.971	0.119	1.831	-0.027	0.215	-1.394	-0.325	1.219	-0.138	0.008	-0.33	0.064	-0.081	0.099	-0.049	2063.06	113.83	-10.422	0.894	-19.229	-2.592	22.068	-2.509	-7.929	0.138	2.628	3.799	-4.9	-2.43	4.135	2.063	0.888	-5.246	-1.073	5.575	-0.149	0.123	-3.714	-0.671	3.668	-0.676	-0.697	-0.434	0.075	0.61	0.08	-0.751
ZINC00839396	703	33.863	-2.063	1.014	-5.014	-3.026	5.286	0.143	-1.586	-0.07	1.072	-0.311	-1.258	-0.113	1.104	0.765	-0.068	-1.585	-0.097	1.322	-0.015	0.119	-1.033	-0.146	1.152	-0.204	-0.052	-0.29	0.097	0.058	-0.013	-0.137	413.609	28.744	-2.353	-0.537	-4.777	1.578	4.947	-1.952	-2.164	0.1	0.869	1.856	-1.626	-1.378	1.332	0.446	0.413	-1.174	-0.765	1.21	-0.084	0.035	-0.679	0.165	0.989	-0.258	-0.419	-0.071	0.172	0.356	-0.152	-0.202	347.003	24.677	-2.111	-0.581	-3.924	0.401	3.987	-1.064	-1.8	0.169	0.843	0.964	-1.255	-0.816	1.033	0.353	0.169	-1.116	-0.216	0.968	-0.149	-0.055	-0.654	0.18	0.808	-0.304	-0.283	-0.03	0.194	0.22	-0.217	-0.136	732.589	35.602	-2.167	1.243	-5.58	-2.815	5.687	-0.039	-1.714	-0.086	1.094	-0.079	-1.464	-0.288	1.268	0.819	0.027	-1.618	-0.308	1.387	0.045	0.14	-1.013	-0.181	1.204	-0.19	-0.11	-0.276	0.089	0.128	-0.037	-0.179	363.682	24.534	-2.087	-0.417	-3.752	0	3.535	-0.722	-1.576	0.089	0.913	0.581	-1.089	-0.589	0.937	0.382	0.064	-1.115	-0.084	0.966	-0.18	-0.037	-0.683	0.174	0.795	-0.324	-0.212	-0.035	0.175	0.149	-0.171	-0.098	891.72	38.996	-2.39	2.294	-6.168	-4.282	6.404	0.373	-1.588	-0.17	1.158	-0.563	-1.532	0.009	1.336	0.979	-0.031	-1.818	-0.275	1.526	0.13	0.209	-1.142	-0.339	1.298	-0.109	-0.014	-0.384	0.083	0.046	-0.007	-0.158	2431.638	126.223	-7.557	4.107	-22.244	-2.197	22.647	-3.935	-7.267	0.23	2.678	4.054	-6.764	-3.757	5.979	2.109	1.465	-5.206	-3.5	5.235	0.152	0.531	-2.824	-0.489	4.719	-0.682	-1.304	-0.716	0.179	1.278	-0.25	-1.077
ZINC03815082	703	34.034	-2.236	0.768	-5.074	-3.012	5.341	0.322	-1.415	-0.027	1.049	-0.323	-1.204	-0.195	1.034	0.928	0.011	-1.632	0.067	1.37	-0.057	0.052	-0.986	-0.142	1.164	-0.241	-0.037	-0.312	0.1	0.139	-0.03	-0.156	413.609	30.292	-2.355	-0.798	-4.575	1.175	4.766	-1.8	-2.197	0.048	0.939	1.852	-1.589	-1.329	1.314	0.453	0.393	-1.151	-0.699	1.223	-0.083	0.047	-0.73	0.112	1.009	-0.34	-0.403	-0.042	0.194	0.424	-0.198	-0.252	347.003	25.108	-2.088	-0.688	-3.866	0.298	3.938	-1.007	-1.793	0.162	0.859	0.949	-1.235	-0.804	1.016	0.383	0.173	-1.106	-0.168	0.987	-0.156	-0.065	-0.652	0.177	0.811	-0.338	-0.269	-0.029	0.205	0.26	-0.247	-0.153	732.589	36.005	-2.256	0.994	-5.52	-2.898	5.712	0.178	-1.542	-0.036	1.097	-0.06	-1.376	-0.364	1.185	0.98	0.106	-1.655	-0.133	1.436	0.001	0.072	-0.985	-0.174	1.221	-0.244	-0.092	-0.293	0.097	0.229	-0.06	-0.216	363.682	24.727	-2.137	-0.47	-3.752	-0.001	3.531	-0.678	-1.559	0.088	0.924	0.552	-1.079	-0.592	0.925	0.421	0.075	-1.115	-0.034	0.986	-0.187	-0.057	-0.667	0.174	0.805	-0.349	-0.198	-0.04	0.182	0.183	-0.193	-0.108	891.72	39.163	-2.63	1.908	-6.213	-4.291	6.5	0.636	-1.329	-0.091	1.138	-0.556	-1.45	-0.118	1.225	1.208	0.079	-1.891	-0.048	1.593	0.071	0.103	-1.08	-0.331	1.311	-0.156	0.003	-0.416	0.085	0.158	-0.02	-0.185	2431.638	134.905	-6.712	3.36	-20.846	-4.641	22.003	-2.791	-6.542	0.06	3.038	4.81	-6.074	-3.641	5.702	2.439	1.623	-5.107	-2.822	5.232	0.012	0.47	-3.22	-0.671	4.808	-1.236	-1.253	-0.557	0.284	1.934	-0.433	-1.472
ZINC03815194	780	36.453	-3.215	0.464	-6.146	-2.961	5.647	0.445	-1.265	-0.028	0.294	-0.456	-0.507	0.323	0.854	0.993	-0.563	-1.869	0.121	1.641	-0.286	-0.025	-1.196	-0.093	1.108	-0.223	0.181	-0.295	-0.139	-0.018	0.241	-0.156	409.185	25.755	-3.552	-0.791	-4.552	2.03	5.124	-1.702	-2.177	0.018	0.751	1.511	-1.476	-1.082	1.126	0.319	0.446	-1.125	-0.482	1.071	-0.191	-0.229	-0.707	0.266	0.74	-0.32	-0.253	0.022	0.19	0.282	-0.134	-0.205	368.762	24.579	-2.545	-0.688	-4.209	0.667	4.206	-0.952	-1.789	0.031	0.607	0.673	-1.052	-0.532	0.945	0.399	0.061	-1.104	-0.114	0.93	-0.193	-0.227	-0.669	0.301	0.703	-0.3	-0.194	0.001	0.151	0.159	-0.135	-0.128	793.672	37.23	-3.427	0.655	-6.423	-2.705	6.042	0.314	-1.464	-0.047	0.384	-0.228	-0.692	0.14	0.972	0.98	-0.437	-1.865	-0.032	1.673	-0.235	-0.037	-1.198	-0.119	1.11	-0.202	0.152	-0.273	-0.142	0.036	0.225	-0.199	399.793	25.024	-2.46	-0.564	-4.292	0.234	3.899	-0.595	-1.545	-0.043	0.557	0.321	-0.833	-0.291	0.852	0.44	-0.097	-1.14	0.002	0.991	-0.248	-0.21	-0.711	0.263	0.735	-0.32	-0.13	-0.014	0.114	0.088	-0.072	-0.086	987.343	42.117	-4.14	1.469	-7.409	-4.221	6.785	0.741	-1.182	0.032	0.225	-0.617	-0.552	0.433	1.002	1.238	-0.627	-2.246	0.023	1.983	-0.282	0.052	-1.393	-0.299	1.224	-0.172	0.319	-0.406	-0.234	-0.014	0.322	-0.213	2306.749	117.631	-12.806	2.618	-21.481	-1.621	22.686	-2.292	-7.03	-0.466	1.823	3.144	-4.462	-2.023	4.186	2.039	0.387	-5.205	-1.577	5.213	-0.467	-0.406	-3.589	-0.08	3.53	-0.553	-0.19	-0.54	-0.251	0.764	0.468	-1.006
ZINC00839389	666	32.574	-2.762	0.976	-4.684	-1.829	5.192	0.321	-1.714	-0.089	0.809	-0.355	-0.778	-0.037	1.031	0.926	-0.191	-1.75	0.148	1.49	-0.066	-0.085	-1.025	0.074	1.045	-0.292	0.149	-0.101	-0.023	0.026	0.124	-0.07	456.426	29.588	-2.913	-1.02	-4.024	2.564	4.149	-1.489	-1.906	-0.348	0.962	1.348	-1.227	-1.307	1.437	0.509	0.671	-1.137	-0.66	1.404	-0.195	-0.187	-0.653	0.232	0.944	-0.306	-0.222	-0.023	0.252	0.258	-0.079	-0.129	349.722	24.681	-2.45	-0.598	-3.659	0.962	3.776	-0.819	-1.78	-0.024	0.763	0.75	-1.012	-0.717	1.072	0.423	0.257	-1.102	-0.205	1.028	-0.154	-0.195	-0.616	0.301	0.751	-0.351	-0.173	0.057	0.168	0.201	-0.176	-0.073	694.68	34.005	-2.989	1.154	-5.014	-1.532	5.456	0.228	-1.851	-0.121	0.875	-0.181	-0.932	-0.221	1.202	0.942	-0.055	-1.785	0.009	1.559	-0.028	-0.099	-1.02	0.038	1.07	-0.262	0.13	-0.1	-0.037	0.081	0.109	-0.103	374.222	24.739	-2.49	-0.406	-3.598	0.719	3.382	-0.489	-1.569	-0.085	0.774	0.406	-0.822	-0.51	0.985	0.451	0.135	-1.128	-0.081	1.062	-0.19	-0.188	-0.643	0.3	0.761	-0.372	-0.107	0.065	0.143	0.128	-0.123	-0.027	839.154	37.068	-3.338	2.165	-5.643	-2.75	6.288	0.57	-1.8	-0.1	0.87	-0.58	-0.927	0.032	1.24	1.151	-0.203	-2.08	0.116	1.767	0.005	-0.049	-1.16	-0.081	1.157	-0.228	0.258	-0.171	-0.08	0.012	0.187	-0.1	2240.908	118.026	-10.741	3.41	-18.172	1.78	19.202	-2.112	-7.401	-0.941	3.088	2.605	-4.511	-3.103	5.575	2.414	1.652	-5.34	-1.649	5.519	-0.104	-0.478	-3.118	0.079	3.852	-0.68	-0.132	-0.299	-0.009	0.911	0.224	-0.658
ZINC03815150	741	34.883	-2.177	1.162	-5.247	-3.408	5.349	0.315	-1.411	-0.161	0.896	-0.49	-1.202	0.084	1.131	0.639	0.098	-1.859	-0.264	1.522	0.123	0.188	-1.08	-0.157	1.051	-0.112	-0.056	-0.092	0.075	-0.024	-0.073	-0.103	411.418	28.765	-2.331	-0.504	-4.755	1.509	4.929	-1.898	-2.185	0.093	0.858	1.825	-1.569	-1.32	1.321	0.415	0.455	-1.191	-0.77	1.158	-0.077	0.081	-0.676	0.149	0.922	-0.172	-0.466	-0.046	0.19	0.292	-0.109	-0.158	355.193	24.846	-2.086	-0.535	-3.98	0.322	4.033	-1.027	-1.78	0.152	0.826	0.905	-1.228	-0.77	1.038	0.316	0.219	-1.16	-0.255	0.971	-0.114	-0.031	-0.664	0.161	0.77	-0.242	-0.318	0.014	0.198	0.187	-0.217	-0.118	762.701	36.4	-2.201	1.349	-5.781	-3.207	5.714	0.148	-1.558	-0.177	0.912	-0.26	-1.38	-0.064	1.283	0.683	0.159	-1.881	-0.449	1.571	0.199	0.207	-1.075	-0.2	1.083	-0.068	-0.097	-0.084	0.069	0.018	-0.082	-0.13	378.768	24.847	-2.082	-0.344	-3.855	-0.092	3.611	-0.692	-1.533	0.066	0.891	0.516	-1.078	-0.546	0.95	0.337	0.136	-1.183	-0.144	0.995	-0.148	-0.013	-0.694	0.156	0.766	-0.266	-0.255	0.022	0.178	0.126	-0.188	-0.083	946.89	40.795	-2.464	2.49	-6.595	-4.829	6.512	0.628	-1.339	-0.27	0.849	-0.795	-1.483	0.287	1.423	0.804	0.166	-2.221	-0.53	1.826	0.348	0.313	-1.209	-0.361	1.172	-0.001	0.023	-0.111	0.049	-0.071	-0.084	-0.113	2370.693	125.846	-6.827	4.063	-22.257	-3.697	21.942	-3.113	-7.022	-0.131	2.46	3.397	-6.008	-2.668	5.768	1.773	1.389	-5.704	-3.437	5.308	0.77	0.708	-3.178	-0.752	3.954	0.083	-1.247	-0.184	0.204	0.556	-0.088	-0.745
ZINC03815169	820	35.94	-3.129	0.479	-5.392	-2.707	5.09	0.361	-1.404	-0.236	0.719	-0.438	-1.005	-0.126	1.135	0.751	0.047	-1.926	0.274	1.906	-0.197	-0.049	-1.145	-0.024	1.106	0.008	-0.045	-0.357	-0.07	0.043	0.143	0.031	448.101	30.886	-2.591	-0.676	-5.019	1.408	4.792	-1.944	-2.309	0.171	0.876	1.855	-1.649	-1.351	1.441	0.539	0.337	-1.268	-0.598	1.339	-0.146	0.072	-0.781	0.185	0.977	-0.261	-0.475	-0.052	0.178	0.391	-0.252	-0.14	388.483	25.266	-2.347	-0.538	-4.237	0.408	3.921	-1.061	-1.822	0.206	0.75	0.906	-1.235	-0.79	1.144	0.341	0.158	-1.203	-0.088	1.111	-0.183	-0.048	-0.731	0.215	0.807	-0.263	-0.308	-0.023	0.148	0.238	-0.239	-0.06	847.232	38.043	-3.39	0.658	-5.784	-2.564	5.516	0.237	-1.667	-0.259	0.851	-0.163	-1.203	-0.252	1.283	0.808	0.13	-1.968	0.113	1.996	-0.15	-0.037	-1.147	-0.039	1.145	0.04	-0.101	-0.358	-0.047	0.11	0.092	0.005	412.837	24.762	-2.327	-0.322	-4.152	0.092	3.459	-0.705	-1.52	0.109	0.746	0.498	-1.043	-0.573	1.043	0.35	0.065	-1.216	0.044	1.127	-0.221	-0.036	-0.757	0.203	0.801	-0.258	-0.233	-0.035	0.101	0.169	-0.157	-0.014	1041.778	42.063	-4.032	1.482	-6.365	-3.881	6.17	0.701	-1.387	-0.402	0.733	-0.652	-1.17	-0.025	1.287	1	0.159	-2.277	0.218	2.324	-0.134	-0.046	-1.255	-0.171	1.219	0.165	0.022	-0.485	-0.118	0.017	0.215	0.046	2548.055	131.665	-10.864	2.531	-21.99	-2.493	21.117	-3.049	-7.953	-0.44	3.104	3.996	-5.654	-2.848	5.722	2.354	1.144	-6.009	-1.432	6.512	-0.327	0.146	-3.677	-0.06	4.152	0.024	-1.27	-0.826	-0.03	1.14	-0.215	-0.342
ZINC00839395	820	36.475	-2.444	0.924	-5.806	-3.136	5.183	0.244	-1.257	-0.148	0.885	-0.512	-1.053	0.014	1.224	0.633	0.03	-1.848	0.077	1.862	-0.142	0.018	-1.113	-0.064	1.103	0.034	-0.075	-0.362	-0.098	-0.019	0.159	-0.071	448.101	29.008	-2.459	-0.475	-4.954	1.79	5.088	-2.02	-2.207	0.146	0.94	1.841	-1.667	-1.378	1.425	0.506	0.432	-1.278	-0.625	1.313	-0.149	0.033	-0.719	0.221	1.005	-0.251	-0.463	-0.057	0.113	0.312	-0.158	-0.153	388.483	24.853	-2.163	-0.406	-4.231	0.512	4.057	-1.07	-1.714	0.229	0.797	0.912	-1.232	-0.792	1.14	0.328	0.182	-1.207	-0.139	1.099	-0.189	-0.049	-0.709	0.206	0.823	-0.249	-0.314	-0.032	0.117	0.2	-0.186	-0.088	847.232	38.301	-2.817	1.076	-6.222	-2.877	5.67	0.101	-1.514	-0.192	1.009	-0.277	-1.277	-0.135	1.366	0.688	0.132	-1.901	-0.087	1.941	-0.098	0.025	-1.099	-0.076	1.148	0.058	-0.136	-0.367	-0.084	0.024	0.119	-0.101	412.837	24.689	-2.084	-0.206	-4.178	0.076	3.555	-0.718	-1.409	0.143	0.802	0.515	-1.028	-0.557	1.048	0.319	0.078	-1.205	-0.023	1.124	-0.22	-0.029	-0.746	0.185	0.813	-0.238	-0.241	-0.044	0.076	0.133	-0.114	-0.045	1041.778	42.821	-3.105	2.021	-6.978	-4.523	6.28	0.519	-1.219	-0.308	0.956	-0.791	-1.258	0.175	1.446	0.831	0.136	-2.165	-0.039	2.248	-0.053	0.061	-1.214	-0.216	1.209	0.194	-0.025	-0.49	-0.152	-0.059	0.217	-0.097	2548.055	127.835	-9.824	3.295	-22.48	-2.025	21.86	-3.208	-7.599	-0.387	3.476	3.422	-5.997	-2.805	5.724	2.027	1.439	-5.911	-1.91	6.354	-0.264	0.202	-3.34	0.018	4.216	0.001	-1.338	-0.966	-0.214	0.669	0.067	-0.613
ZINC03815219	990	39.122	-2.998	0.926	-6.301	-3.181	5.926	0.342	-0.974	-0.063	0.155	-0.496	-0.939	0.56	0.752	0.51	-0.337	-2.093	0.316	2.253	-0.456	-0.001	-1.116	-0.294	1.305	-0.033	0.03	-0.483	-0.173	-0.068	0.072	0.211	481.578	29.024	-2.675	-0.425	-5.204	2.08	5.226	-2.162	-2.168	0.312	0.834	1.789	-1.728	-1.219	1.394	0.443	0.394	-1.302	-0.548	1.274	-0.267	0.066	-0.643	0.15	0.953	-0.301	-0.384	-0.025	0.047	0.286	-0.268	0.027	441.422	25.226	-2.445	-0.292	-4.61	0.735	4.337	-1.176	-1.689	0.316	0.65	0.864	-1.278	-0.593	1.026	0.258	0.104	-1.283	-0.012	1.161	-0.304	-0.055	-0.68	0.111	0.854	-0.282	-0.259	-0.027	0.069	0.174	-0.293	0.082	1004.769	40.539	-3.281	1.096	-6.686	-2.907	6.344	0.181	-1.226	-0.063	0.313	-0.319	-1.138	0.401	0.89	0.55	-0.242	-2.113	0.141	2.279	-0.408	0.032	-1.099	-0.324	1.35	-0.012	-0.042	-0.448	-0.176	-0.036	0.038	0.189	482.122	25.333	-2.372	-0.089	-4.664	0.28	3.936	-0.801	-1.356	0.19	0.597	0.484	-1.079	-0.324	0.912	0.239	-0.028	-1.318	0.12	1.24	-0.346	-0.054	-0.734	0.089	0.868	-0.266	-0.195	-0.066	0.042	0.112	-0.226	0.133	1267.473	47.115	-4.061	1.888	-7.342	-4.681	7.229	0.709	-0.894	-0.149	0.013	-0.792	-1.091	0.839	0.802	0.706	-0.336	-2.499	0.211	2.786	-0.483	0.064	-1.192	-0.529	1.504	0.084	0.096	-0.648	-0.243	-0.135	0.129	0.237	2808.362	126.397	-10.096	4.294	-23.95	-1.88	22.493	-3.295	-6.436	0.228	1.958	2.956	-5.43	-1.365	4.615	1.469	0.486	-6.026	-1.322	6.542	-0.889	0.372	-3.365	-0.642	4.394	-0.075	-1.077	-0.889	-0.578	0.483	-0.213	0.246
ZINC04617814	903	39.499	-4.89	2.204	-6.276	-2.44	3.161	0.869	-0.746	0.695	-1.056	-0.433	-0.292	-0.058	1.298	-0.028	-0.818	-1.902	0.925	2.373	-0.429	-0.273	-1.174	-0.187	1.264	0.403	-0.037	-0.538	-0.337	-0.059	0.345	0.1	344.714	22.773	-2.719	-0.592	-4.18	1.724	3.807	-2.359	-1.415	1.231	0.055	1.373	-1.473	-1.144	1.748	-0.306	0.36	-0.911	-0.114	1.319	-0.283	-0.046	-0.416	-0.032	0.815	-0.308	-0.337	0.078	-0.051	0.376	-0.359	-0.068	372.34	22.365	-2.339	0.082	-4.245	0.583	3.135	-1.369	-1.113	0.945	-0.108	0.589	-1.009	-0.619	1.382	-0.239	-0.013	-0.981	0.229	1.239	-0.291	-0.037	-0.522	-0.005	0.764	-0.198	-0.247	0.026	-0.146	0.23	-0.182	-0.011	904.032	40.23	-5.166	2.346	-6.466	-2.303	3.55	0.77	-1.048	0.715	-0.767	-0.278	-0.552	-0.127	1.421	-0.112	-0.645	-1.901	0.764	2.443	-0.453	-0.262	-1.108	-0.264	1.298	0.39	-0.092	-0.555	-0.241	-0.028	0.228	0.104	409.332	22.973	-2.276	0.383	-4.407	0.023	2.873	-0.915	-0.923	0.84	-0.284	0.244	-0.74	-0.409	1.238	-0.182	-0.217	-1.038	0.407	1.26	-0.285	-0.049	-0.617	0.008	0.786	-0.13	-0.195	-0.02	-0.221	0.165	-0.063	0.017	1136.007	47.022	-6.895	3.438	-6.886	-3.371	3.363	1.529	-0.716	0.654	-1.375	-0.505	-0.258	-0.013	1.338	0.03	-0.962	-2.311	1.036	2.879	-0.504	-0.393	-1.308	-0.311	1.374	0.694	0.012	-0.783	-0.312	-0.16	0.479	0.111	2281.402	111.96	-13.379	4.848	-20.578	-2.045	13.958	-1.61	-5.33	2.716	-0.312	2.571	-3.997	-2.251	5.974	-0.885	0.26	-5.042	0.394	7.286	-1.004	-0.668	-2.687	-0.857	4.161	0.338	-0.973	-1.294	-0.091	0.643	-0.525	0.205
ZINC03815409	903	38.801	-4.458	2.265	-6.502	-2.885	3.627	0.833	-0.609	0.453	-0.793	-0.702	0.444	0.16	1.403	-0.288	-0.549	-2.062	1.242	2.13	-0.323	-0.325	-1.135	-0.013	1.09	0.443	-0.161	-0.519	-0.373	0.254	0.41	0.045	344.714	22.617	-2.304	-0.623	-4.191	1.796	4.476	-2.28	-1.314	1.051	0.227	1.278	-1.272	-1.082	1.86	-0.209	0.357	-0.909	-0.093	1.305	-0.277	-0.111	-0.424	0.046	0.94	-0.208	-0.334	0.018	-0.047	0.445	-0.333	-0.128	372.34	21.975	-1.941	0.023	-4.202	0.616	3.691	-1.325	-1.031	0.835	0.049	0.494	-0.753	-0.577	1.452	-0.231	0.065	-1.03	0.281	1.234	-0.24	-0.098	-0.544	0.073	0.842	-0.115	-0.253	0.022	-0.14	0.336	-0.171	-0.055	904.032	39.786	-4.695	2.38	-6.647	-2.793	4.079	0.672	-0.892	0.381	-0.479	-0.546	0.185	0.068	1.57	-0.334	-0.418	-2.024	1.058	2.214	-0.367	-0.317	-1.068	-0.075	1.153	0.45	-0.218	-0.562	-0.291	0.281	0.312	0.041	409.332	22.435	-1.89	0.328	-4.364	0.017	3.378	-0.877	-0.84	0.762	-0.132	0.137	-0.446	-0.358	1.288	-0.226	-0.095	-1.114	0.487	1.245	-0.214	-0.106	-0.638	0.086	0.829	-0.058	-0.21	0.002	-0.214	0.294	-0.058	-0.023	1136.007	46.237	-6.418	3.521	-7.233	-4.002	3.854	1.437	-0.583	0.308	-1.019	-0.853	0.719	0.286	1.501	-0.331	-0.619	-2.53	1.47	2.509	-0.367	-0.456	-1.243	-0.098	1.121	0.709	-0.163	-0.773	-0.374	0.238	0.574	0.052	2281.402	112.34	-11.69	4.458	-20.686	-3.365	16.182	-1.811	-4.866	1.508	0.63	1.887	-2.404	-1.832	6.635	-0.971	0.598	-4.984	0.897	6.728	-0.912	-0.85	-2.614	-0.306	4.143	0.769	-1.276	-1.511	-0.343	1.253	-0.217	-0.041
ZINC03815213	630	29.258	-2.327	0.418	-4.562	-3.152	5.965	-0.293	-1.725	0.379	0.651	0.07	-0.911	-0.057	0.936	0.65	-0.043	-1.623	0.363	1.312	0.008	0.25	-0.892	-0.189	1.217	-0.21	-0.019	-0.235	0.05	0.13	0.21	-0.169	378.337	22.252	-3.328	-1.527	-4.345	1.291	4.704	-1.971	-2.307	0.583	1.038	1.83	-1.523	-1.306	1.201	0.197	0.629	-1.063	-0.316	1.213	-0.101	-0.065	-0.508	-0.012	0.91	-0.246	-0.313	-0.001	0.096	0.434	-0.264	-0.238	320.495	20.114	-2.282	-1.15	-3.724	0.24	4.192	-1.31	-1.782	0.414	0.884	0.972	-1.186	-0.715	1.043	0.268	0.234	-1.049	0.054	1.025	-0.132	-0.066	-0.537	0.08	0.801	-0.314	-0.234	0.022	0.134	0.251	-0.229	-0.191	654.372	30.573	-2.538	0.459	-4.913	-2.959	6.205	-0.404	-1.923	0.437	0.722	0.314	-1.094	-0.247	1.045	0.645	0.102	-1.644	0.199	1.376	0.07	0.236	-0.87	-0.239	1.251	-0.165	-0.054	-0.204	0.045	0.227	0.174	-0.212	336.907	20.195	-2.251	-1.016	-3.612	-0.119	3.986	-1.03	-1.563	0.327	0.879	0.625	-1.008	-0.517	0.958	0.289	0.114	-1.072	0.181	1.011	-0.173	-0.038	-0.561	0.082	0.81	-0.338	-0.185	-0.007	0.112	0.168	-0.154	-0.16	789.466	33.678	-2.845	1.396	-5.402	-4.332	7.069	-0.046	-1.926	0.475	0.579	-0.003	-1.029	0.02	1.002	0.791	0.025	-1.923	0.321	1.466	0.16	0.375	-1.006	-0.334	1.38	-0.097	0.027	-0.313	0.053	0.175	0.313	-0.167	2193.082	109.203	-11.438	0.707	-18.397	-3.764	22.179	-4.395	-8.611	2.125	2.746	5.78	-5.839	-3.723	4.732	1.082	2.194	-4.876	-1.21	5.583	0.189	0.518	-2.411	-1.146	4.514	-0.17	-0.759	-0.299	0.096	2.019	0.022	-1.197
ZINC03815151	666	31.099	-2.205	0.301	-4.854	-3.529	5.925	-0.247	-1.536	0.237	0.705	0.062	-0.945	0.157	0.94	0.434	-0.019	-1.883	0.128	1.495	0.144	0.105	-0.971	-0.198	1.145	-0.259	-0.083	-0.104	-0.004	0.036	0.066	-0.212	376.249	22.148	-3.287	-1.563	-4.371	1.303	4.714	-1.99	-2.309	0.565	1.024	1.778	-1.474	-1.243	1.161	0.167	0.615	-1.106	-0.413	1.172	-0.008	-0.103	-0.504	0.011	0.821	-0.255	-0.349	-0.018	0.078	0.379	-0.259	-0.219	328.373	20.472	-2.229	-1.144	-3.768	0.175	4.222	-1.319	-1.769	0.369	0.909	0.944	-1.181	-0.66	1.033	0.214	0.227	-1.12	-0.029	1.042	-0.067	-0.104	-0.533	0.087	0.738	-0.316	-0.278	0.031	0.123	0.226	-0.255	-0.192	682.856	32.074	-2.369	0.286	-5.19	-3.306	6.163	-0.345	-1.751	0.289	0.752	0.274	-1.099	-0.009	1.034	0.43	0.102	-1.902	-0.022	1.532	0.229	0.078	-0.965	-0.254	1.15	-0.205	-0.111	-0.09	-0.026	0.1	0.034	-0.245	351.439	20.866	-2.205	-0.985	-3.683	-0.228	4.02	-1.05	-1.537	0.278	0.927	0.606	-1.034	-0.456	0.956	0.223	0.117	-1.158	0.082	1.063	-0.112	-0.083	-0.562	0.084	0.77	-0.347	-0.244	0.022	0.107	0.159	-0.199	-0.169	841.416	36.593	-2.597	1.258	-5.878	-4.892	7.007	0.035	-1.658	0.314	0.576	0.019	-1.088	0.303	1.038	0.494	0.055	-2.266	-0.016	1.723	0.348	0.19	-1.132	-0.378	1.289	-0.182	-0.011	-0.131	-0.04	0.022	0.114	-0.239	2135.637	107.594	-9.978	-0.692	-19.251	-4.239	21.784	-4.034	-8.153	1.529	2.581	4.862	-5.32	-2.741	4.452	0.637	1.845	-5.572	-1.781	5.412	1.147	-0.097	-2.854	-1.093	3.691	-0.138	-0.938	-0.165	-0.286	1.179	-0.221	-1.093
ZINC03815230	666	30.279	-2.683	0.435	-5.122	-2.785	6.057	-0.221	-1.891	0.376	0.569	-0.174	-0.641	-0.061	0.806	0.581	-0.02	-1.736	0.677	1.183	-0.23	0.303	-1.023	0.016	0.981	-0.237	-0.033	-0.196	-0.007	-0.073	0.123	-0.083	447.6	25.415	-3.745	-1.312	-4.567	1.329	4.87	-1.836	-2.395	0.64	1.043	1.667	-1.247	-1.353	1.084	0.134	0.647	-1.086	-0.174	0.915	-0.18	-0.07	-0.485	0.167	0.655	-0.284	-0.376	0.098	0.118	0.165	-0.267	-0.181	351.869	21.208	-2.51	-1.027	-3.932	0.34	4.234	-1.3	-1.787	0.496	0.858	0.829	-1.068	-0.714	1.009	0.232	0.211	-1.079	0.171	0.912	-0.18	-0.094	-0.553	0.189	0.669	-0.299	-0.277	0.021	0.142	0.115	-0.236	-0.144	711.167	32.503	-3.068	0.494	-5.561	-2.658	6.397	-0.275	-2.167	0.386	0.617	0.09	-0.706	-0.255	0.853	0.522	0.16	-1.776	0.568	1.162	-0.189	0.314	-1.018	0.008	0.963	-0.208	-0.058	-0.141	-0.013	-0.049	0.085	-0.111	355.364	20.761	-2.409	-0.946	-3.802	0.029	4.011	-1.045	-1.563	0.407	0.863	0.495	-0.942	-0.512	0.937	0.278	0.088	-1.107	0.284	0.958	-0.233	-0.065	-0.585	0.162	0.711	-0.323	-0.227	-0.021	0.104	0.076	-0.167	-0.114	841.561	35.504	-3.271	1.408	-6.24	-3.857	7.283	0.115	-2.203	0.35	0.475	-0.289	-0.648	0.022	0.799	0.674	0.075	-2.09	0.754	1.287	-0.2	0.486	-1.188	-0.076	1.068	-0.17	0.042	-0.242	-0.033	-0.106	0.18	-0.053	2808.084	139.862	-22.505	2.654	-18.083	-6.555	24.052	-1.858	-12.24	3.015	2.754	3.983	-1.559	-4.087	2.426	0.521	3.483	-6.122	1.054	2.906	-0.941	1.726	-3.39	0.357	3.118	-0.636	-1.23	0.913	-0.22	0.121	0.202	-1.268
ZINC00018522	780	35.99	-3.424	1.747	-5.883	-2.699	4.277	0.399	-0.959	0.38	-0.174	0.028	-0.298	-0.742	1.989	0.304	-0.649	-1.935	0.463	2.068	-0.056	-0.29	-1.078	-0.037	1.076	0.248	-0.092	-0.588	0.007	0.319	0.074	0.112	342.252	23.674	-2.538	-0.734	-4.459	1.514	5.058	-1.926	-2.146	1.197	0.171	1.837	-1.388	-1.654	2.038	0.226	0.252	-1.164	-0.426	1.244	-0.04	-0.279	-0.719	0.215	0.872	-0.371	-0.315	-0.14	0.284	0.513	-0.543	-0.096	344.589	21.992	-2.115	-0.046	-4.144	0.249	4.064	-1.202	-1.599	0.889	0.155	1.056	-0.974	-1.086	1.699	0.163	-0.017	-1.216	-0.011	1.135	-0.085	-0.219	-0.762	0.238	0.74	-0.293	-0.214	-0.114	0.186	0.338	-0.369	0.013	794.053	37.154	-3.747	1.915	-6.246	-2.565	4.782	0.37	-1.318	0.395	0.054	0.219	-0.51	-0.856	2.144	0.308	-0.509	-1.927	0.262	2.155	-0.051	-0.298	-1.034	-0.109	1.141	0.255	-0.158	-0.616	0.082	0.377	-0.048	0.101	366.983	21.943	-1.997	0.227	-4.124	-0.325	3.7	-0.894	-1.297	0.76	0.072	0.715	-0.749	-0.875	1.58	0.153	-0.175	-1.257	0.178	1.137	-0.088	-0.205	-0.811	0.245	0.717	-0.242	-0.16	-0.128	0.12	0.277	-0.255	0.057	982.688	43.179	-4.648	2.874	-6.631	-3.62	4.674	0.969	-0.886	0.216	-0.267	-0.147	-0.191	-0.799	2.197	0.421	-0.762	-2.26	0.445	2.486	-0.013	-0.342	-1.092	-0.229	1.203	0.524	-0.095	-0.814	0.013	0.375	0.153	0.104	2200.295	113.493	-11.071	4.028	-22.03	-2.787	19.538	-1.728	-7.041	2.36	0.811	4.112	-3.701	-4.443	8.063	0.82	0.009	-5.324	-1.163	6.65	0.101	-1.101	-3.03	-0.332	3.971	0.286	-1.033	-1.762	0.68	1.861	-1.199	0.176
ZINC03815160	780	40.504	-3.616	1.791	-4.913	-2.436	5.64	0.207	-1.469	-0.209	0.594	-0.921	-0.449	0.51	0.798	1.051	-0.236	-2.137	0.541	1.602	-0.461	0.048	-1.121	-0.199	1.207	-0.126	0.038	-0.204	0.159	-0.029	0.175	-0.103	409.185	32.792	-2.963	-0.657	-4.247	1.736	4.437	-2.038	-2.295	0.036	0.982	1.02	-1.328	-0.872	1.237	0.499	0.351	-1.297	-0.29	1.184	-0.062	-0.229	-0.524	0.223	0.815	-0.181	-0.207	-0.001	0.259	0.385	-0.094	-0.272	368.762	28.924	-2.625	-0.5	-3.821	0.599	3.889	-1.178	-1.818	0.064	0.804	0.373	-0.973	-0.417	0.968	0.511	0.044	-1.279	0.076	0.99	-0.162	-0.176	-0.614	0.24	0.723	-0.204	-0.203	0.029	0.252	0.209	-0.148	-0.208	793.672	41.963	-3.718	1.857	-5.119	-2.215	5.946	0.076	-1.691	-0.159	0.659	-0.709	-0.639	0.354	0.935	1.042	-0.156	-2.156	0.412	1.638	-0.384	0.028	-1.078	-0.224	1.212	-0.108	0.02	-0.202	0.149	0.044	0.169	-0.144	399.793	29.558	-2.66	-0.193	-3.793	0.259	3.652	-0.813	-1.585	-0.028	0.766	0.006	-0.738	-0.196	0.895	0.533	-0.058	-1.335	0.204	1.036	-0.245	-0.153	-0.678	0.198	0.77	-0.211	-0.163	0.014	0.23	0.131	-0.092	-0.166	987.343	46.227	-4.476	3.158	-5.718	-3.471	6.853	0.519	-1.516	-0.208	0.538	-1.147	-0.531	0.728	0.889	1.277	-0.182	-2.545	0.557	1.903	-0.519	0.14	-1.243	-0.431	1.369	-0.067	0.14	-0.293	0.146	-0.051	0.234	-0.08	2295.533	142.109	-11.852	4.427	-17.758	-1.115	20.94	-3.298	-8.089	-0.17	2.806	1.37	-4.235	-1.463	4.525	2.555	0.682	-6.269	-0.363	5.293	-0.467	-0.305	-2.904	-0.402	3.896	-0.247	-0.453	-0.463	0.391	1.178	0.365	-1.017
ZINC03815171	946	38.273	-2.434	0.994	-6.469	-2.823	4.542	0.669	-1.553	-0.099	1.097	-1.081	-0.268	-0.024	1.27	0.455	-0.331	-2.243	0.466	2.144	-0.558	-0.399	-1.037	0.038	1.441	0.256	-0.19	-0.405	-0.096	-0.043	0.234	-0.043	483.959	27.041	-1.809	-0.791	-4.759	1.086	4.161	-1.945	-2.339	0.641	0.962	1.125	-1.503	-1.351	1.586	0.437	0.268	-1.374	-0.236	1.403	-0.231	-0.297	-0.611	0.332	0.96	-0.107	-0.525	-0.179	0.213	0.166	-0.105	-0.077	432.295	24.9	-1.9	-0.355	-4.37	0.173	3.628	-1.103	-1.816	0.33	0.853	0.518	-1.052	-0.702	1.194	0.306	0	-1.354	0.136	1.227	-0.284	-0.3	-0.626	0.278	0.846	-0.116	-0.41	-0.079	0.16	0.118	-0.181	-0.086	970.191	39.614	-2.756	1.146	-6.657	-2.742	4.894	0.516	-1.833	0.03	1.24	-0.893	-0.526	-0.207	1.413	0.484	-0.22	-2.328	0.35	2.213	-0.496	-0.42	-1.016	0.048	1.438	0.324	-0.263	-0.418	-0.057	-0.028	0.211	-0.063	465.094	25.172	-1.783	-0.153	-4.397	-0.119	3.297	-0.666	-1.515	0.161	0.828	0.146	-0.764	-0.455	1.121	0.272	-0.12	-1.379	0.253	1.287	-0.355	-0.292	-0.67	0.25	0.89	-0.125	-0.339	-0.105	0.104	0.058	-0.101	-0.042	1203.499	44.88	-3.315	2.023	-7.681	-3.984	5.372	1.121	-1.677	-0.146	1.278	-1.492	-0.264	0.014	1.465	0.538	-0.273	-2.695	0.441	2.574	-0.602	-0.456	-1.119	-0.088	1.642	0.495	-0.138	-0.54	-0.149	-0.059	0.321	-0.054	2805.612	127.008	-8.373	2.889	-21.481	-4.291	18.431	-2.367	-8.505	1.631	4.102	0.981	-4.592	-3.326	6.041	1.414	0.493	-7.048	-0.416	6.746	-1.02	-1.403	-3.065	0.477	4.606	0.985	-1.736	-1.296	0.112	0.326	0.378	-0.436
ZINC03815161	946	43.214	-3.806	2.623	-5.622	-2.225	5.5	0.206	-1.529	0.024	0.305	-0.776	-0.539	0.142	1.079	0.73	-0.24	-2.344	0.509	1.981	-0.422	-0.159	-1.032	-0.183	1.17	0.009	0.007	-0.161	0.046	0.041	0.329	-0.148	483.959	35.497	-3.32	-0.939	-4.739	1.947	4.898	-2.313	-2.377	0.427	0.882	1.242	-1.416	-1.086	1.41	0.383	0.335	-1.434	-0.294	1.297	0.025	-0.194	-0.586	0.198	0.923	-0.214	-0.315	-0.01	0.327	0.474	-0.124	-0.319	432.295	29.811	-2.761	-0.266	-4.285	0.756	4.066	-1.271	-1.827	0.268	0.681	0.503	-1.026	-0.597	1.134	0.357	0.038	-1.413	0.063	1.102	-0.127	-0.179	-0.654	0.232	0.776	-0.197	-0.248	0.035	0.248	0.265	-0.128	-0.21	970.191	45.472	-4.135	2.575	-5.883	-2.053	5.956	0.052	-1.831	0.113	0.422	-0.54	-0.767	0.014	1.209	0.729	-0.144	-2.392	0.373	2.025	-0.345	-0.176	-0.999	-0.226	1.188	0.03	-0.049	-0.177	0.088	0.12	0.291	-0.187	465.094	29.858	-2.704	0.261	-4.274	0.441	3.697	-0.875	-1.529	0.138	0.608	0.098	-0.765	-0.369	1.047	0.353	-0.068	-1.46	0.199	1.149	-0.205	-0.175	-0.709	0.197	0.806	-0.18	-0.194	0.027	0.193	0.19	-0.043	-0.167	1203.499	50.297	-4.901	4.171	-6.414	-3.327	6.634	0.559	-1.665	0.091	0.189	-0.986	-0.628	0.272	1.199	0.912	-0.184	-2.775	0.503	2.405	-0.478	-0.155	-1.085	-0.411	1.282	0.107	0.102	-0.229	0.002	0.023	0.433	-0.161	2805.612	153.88	-13.518	4.712	-20.462	-0.43	22.09	-3.738	-8.651	1.211	2.103	2.188	-4.646	-2.306	5.327	1.609	0.788	-6.926	-0.458	6.17	-0.112	-0.639	-2.863	-0.513	4.077	0.026	-0.919	-0.534	0.609	1.477	0.411	-1.09
ZINC03815158	820	35.706	-3.774	1.053	-6.807	-2.708	3.036	0.062	-0.067	-0.5	0.188	0.376	-0.721	-0.034	1.959	-0.142	-0.096	-2.001	0.255	2.45	-0.677	-0.147	-1.169	-0.319	1.32	0.228	-0.014	-0.576	-0.022	0.329	-0.013	0.019	368.928	23.823	-3.06	0.071	-5.34	1.757	4.182	-2.17	-1.868	1.157	0.062	2.325	-1.522	-1.676	2.397	-0.13	0.664	-1.328	-0.403	1.731	-0.332	-0.011	-0.888	-0.082	1.179	-0.471	-0.374	-0.028	0.035	0.588	-0.54	-0.093	371.265	22.253	-2.546	0.238	-4.853	0.543	3.184	-1.483	-1.254	0.64	0.206	1.426	-1.134	-0.984	1.948	-0.122	0.346	-1.293	-0.059	1.584	-0.375	-0.034	-0.86	0.022	1.01	-0.384	-0.251	-0.036	0.019	0.412	-0.415	-0.011	834.417	36.679	-4.272	1.277	-7.152	-2.503	3.507	0.039	-0.484	-0.423	0.364	0.586	-0.928	-0.213	2.124	-0.18	0.05	-2.028	0.085	2.559	-0.697	-0.124	-1.143	-0.414	1.403	0.241	-0.086	-0.599	0.032	0.376	-0.098	0.022	394.483	22.234	-2.306	0.304	-4.777	-0.042	2.795	-1.188	-0.893	0.405	0.201	1.044	-0.925	-0.691	1.783	-0.107	0.181	-1.304	0.095	1.563	-0.39	-0.049	-0.886	0.054	0.974	-0.329	-0.183	-0.065	-0.012	0.348	-0.323	0.016	1027.591	42.272	-5.283	1.757	-7.718	-3.819	3.251	0.548	0.214	-0.86	0.146	0.26	-0.748	0.134	2.062	-0.186	-0.068	-2.35	0.183	2.872	-0.811	-0.187	-1.22	-0.541	1.438	0.548	0.037	-0.824	0.026	0.345	0.067	-0.003	2368.379	113.777	-13.469	4.007	-24.997	-1.392	15.741	-2.596	-5.528	1.016	1.147	5.735	-4.692	-3.736	8.789	-0.782	1.617	-6.07	-1.331	8.296	-1.731	-0.15	-3.704	-1.544	5.134	0.158	-1.029	-1.617	0.128	1.947	-1.067	0.068
ZINC03815305	820	37.336	-4.41	0.79	-6.715	-3.132	4.466	-0.174	-0.302	-0.401	-0.744	0.131	-0.508	-0.022	2.07	-0.024	0.014	-1.82	0.054	2.698	-0.711	-0.112	-1.238	0.032	1.43	0.327	-0.057	-0.665	-0.033	0.401	0.087	0.076	368.928	24.247	-2.947	-0.208	-5.022	1.934	4.643	-2.234	-1.702	0.94	-0.245	2.271	-1.49	-1.722	2.51	0.082	0.734	-1.231	-0.601	1.871	-0.186	-0.027	-0.649	0.105	1.284	-0.333	-0.374	-0.112	0.125	0.63	-0.476	-0.13	371.265	22.827	-2.469	-0.092	-4.773	0.653	3.818	-1.456	-1.117	0.591	-0.23	1.26	-1.129	-0.955	2.075	0.021	0.374	-1.216	-0.188	1.737	-0.3	-0.008	-0.716	0.188	1.129	-0.265	-0.272	-0.116	0.077	0.465	-0.351	-0.039	834.417	38.11	-4.726	1.022	-6.899	-2.918	4.833	-0.279	-0.699	-0.361	-0.575	0.39	-0.702	-0.242	2.246	-0.026	0.154	-1.824	-0.143	2.815	-0.689	-0.125	-1.178	-0.033	1.496	0.355	-0.142	-0.684	0.035	0.447	0.001	0.065	394.483	23.034	-2.364	-0.018	-4.808	0.015	3.548	-1.137	-0.795	0.415	-0.297	0.823	-0.913	-0.633	1.913	0.006	0.201	-1.226	-0.007	1.722	-0.347	-0.008	-0.781	0.215	1.1	-0.215	-0.209	-0.151	0.031	0.404	-0.258	-0.001	1027.591	44.144	-6.073	1.55	-7.463	-4.481	5.031	0.133	-0.182	-0.715	-0.976	0.078	-0.41	0.1	2.16	-0.031	0.092	-2.102	-0.098	3.14	-0.859	-0.174	-1.348	-0.098	1.515	0.635	-0.02	-0.918	-0.005	0.424	0.192	0.096	2368.379	116.999	-13.659	3.662	-23.088	-2.076	18.482	-3.919	-5.606	0.479	-1.097	5.334	-4.033	-4.052	9.253	-0.04	1.988	-5.367	-2.245	9.096	-1.263	-0.498	-3.166	-0.341	5.479	0.644	-1.218	-1.917	0.315	2.163	-0.831	0.047
ZINC03815157	1830	65.945	-17.811	17.176	-12.66	0.38	2.198	2.776	2.87	-0.625	0.278	-5.625	0.672	4.204	0.233	-0.445	-0.989	-2.529	2.206	2.621	-2.156	0.248	-0.752	-0.606	0.458	0.704	0.783	-0.562	-1.392	-0.153	1.611	0.471	565.991	30.493	-7.58	1.273	-3.998	5.804	1.401	-2.295	-1.547	2.35	0.052	-0.543	-1.561	1.362	0.975	-1.104	-0.091	-0.797	1.637	-0.263	-0.737	-0.032	0.441	-0.325	-0.393	-0.134	0.208	0.153	-0.472	0.103	0.025	0.62	542.275	29.91	-6.061	2.463	-4.807	2.936	1.618	-1.001	-0.011	1.207	0.372	-1.838	-0.639	1.734	0.714	-0.902	-0.506	-0.624	1.312	0.155	-0.951	0.231	0.028	-0.317	-0.116	0.066	0.405	-0.155	-0.519	-0.061	0.505	0.277	1772.455	66.386	-17.671	16.274	-12.249	0.711	2.368	2.395	2.395	-0.316	0.567	-5.645	0.461	4.081	0.446	-0.538	-0.987	-2.476	2.179	2.542	-2.2	0.276	-0.61	-0.688	0.42	0.601	0.769	-0.445	-1.284	-0.28	1.529	0.56	677.199	33.218	-6.923	4.131	-5.631	2.206	1.406	-0.06	0.338	0.766	0.329	-2.361	-0.261	2.066	0.524	-0.848	-0.608	-0.807	1.413	0.395	-0.963	0.194	-0.159	-0.352	0.014	0.229	0.405	-0.282	-0.644	0.008	0.673	0.236	2427.928	81.704	-24.622	24.153	-15.853	0.056	2.487	3.603	3.868	-0.975	0.292	-6.994	0.752	5.155	0.099	-0.178	-0.948	-3.484	2.476	3.7	-2.817	0.366	-0.8	-0.847	0.551	0.854	0.987	-0.565	-1.642	-0.35	1.947	0.663	3056.529	127.185	-31.158	24.989	-22.239	4.884	5.849	1.9	1.979	1.391	1.845	-9.983	-0.6	6.853	2.723	-1.991	-2.154	-4.031	4.072	4.333	-4.192	0.303	-0.336	-1.629	0.504	0.575	1.405	-0.333	-1.981	-0.863	2.324	1.69
ZINC03815396	741	36.702	-2.906	0.412	-6.019	-2.11	4.421	-0.21	-0.912	-0.386	0.091	0.719	-0.816	-0.296	1.875	0.01	-0.003	-1.885	-0.12	2.058	-0.1	-0.158	-1.269	-0.046	1.053	0.314	-0.405	-0.691	0.003	0.296	0.086	-0.034	373.149	25.155	-2.733	-1.048	-5.009	1.512	5.059	-2.226	-2.239	0.929	0.051	2.517	-1.487	-1.823	2.142	0.062	0.614	-1.171	-0.759	1.448	-0.056	-0.173	-0.761	-0.01	0.978	-0.13	-0.486	-0.249	0.152	0.517	-0.397	-0.217	344.296	22.307	-2.126	-0.431	-4.375	0.573	3.63	-1.408	-1.47	0.502	0.129	1.491	-1.11	-0.967	1.676	-0.017	0.32	-1.196	-0.278	1.251	-0.093	-0.118	-0.789	0.102	0.796	-0.14	-0.375	-0.206	0.099	0.342	-0.309	-0.083	771.505	37.935	-3.356	0.549	-6.433	-2.032	5.037	-0.315	-1.384	-0.351	0.276	1.029	-1.033	-0.564	2.089	0.03	0.12	-1.876	-0.342	2.174	-0.095	-0.18	-1.25	-0.139	1.155	0.356	-0.493	-0.741	0.071	0.357	-0.001	-0.063	353.305	22.17	-1.925	-0.196	-4.232	0.115	3.161	-1.082	-1.103	0.332	0.101	1.082	-0.914	-0.634	1.51	-0.04	0.182	-1.227	-0.091	1.215	-0.092	-0.104	-0.838	0.145	0.747	-0.119	-0.325	-0.211	0.052	0.278	-0.225	-0.036	945.888	44.096	-4.081	1.188	-6.971	-3.055	5.389	0.066	-1.027	-0.685	0.057	0.835	-0.855	-0.361	2.096	0.065	0.039	-2.179	-0.32	2.451	-0.076	-0.182	-1.396	-0.197	1.171	0.598	-0.495	-0.95	0.044	0.343	0.18	-0.07	2364.379	122.43	-11.785	0.674	-23.74	-1.609	21.564	-4.203	-8.542	1.011	0.935	7.752	-5.054	-5.451	8.882	0.01	1.92	-5.232	-3.198	7.281	-0.133	-0.686	-3.761	-0.854	4.507	1.053	-2.152	-2.34	0.49	1.895	-0.705	-0.578
ZINC03815371	820	36.95	-3.803	1.431	-6.58	-3.428	4.382	-0.172	-0.237	-0.632	-0.522	0.099	-0.503	-0.276	1.832	0.004	-0.131	-1.782	-0.057	2.466	-0.672	0.093	-1.315	-0.211	1.49	0.26	-0.196	-0.737	-0.073	0.245	0.127	0.023	368.928	24.083	-2.75	-0.863	-5.06	1.675	4.786	-2.26	-1.977	0.988	-0.065	1.935	-1.437	-1.793	2.11	0.051	0.744	-1.21	-0.712	1.62	-0.165	-0.032	-0.743	-0.025	1.143	-0.335	-0.366	-0.132	0.138	0.531	-0.491	-0.18	371.265	22.807	-2.253	-0.353	-4.759	0.371	3.781	-1.444	-1.324	0.575	-0.044	1.102	-1.068	-1.092	1.742	-0.041	0.377	-1.215	-0.303	1.519	-0.306	0.041	-0.828	0.054	1.039	-0.298	-0.278	-0.147	0.067	0.378	-0.371	-0.08	834.417	37.759	-4.108	1.605	-6.788	-3.218	4.834	-0.266	-0.663	-0.587	-0.327	0.31	-0.701	-0.463	1.979	0.015	0.023	-1.774	-0.256	2.561	-0.64	0.066	-1.259	-0.276	1.551	0.289	-0.252	-0.757	-0.002	0.287	0.033	0.008	394.483	23.044	-2.123	-0.127	-4.76	-0.28	3.435	-1.114	-0.957	0.369	-0.111	0.738	-0.855	-0.803	1.616	-0.063	0.194	-1.229	-0.129	1.52	-0.361	0.065	-0.898	0.071	1.032	-0.261	-0.232	-0.183	0.013	0.318	-0.274	-0.039	1027.591	43.657	-5.278	2.645	-7.314	-4.74	5.005	0.122	-0.014	-1.039	-0.741	0.045	-0.437	-0.181	1.947	0.03	-0.104	-2.06	-0.167	2.906	-0.812	0.096	-1.398	-0.371	1.638	0.565	-0.212	-0.994	-0.045	0.223	0.269	0.03	2368.379	116.017	-11.856	3.107	-23.238	-3.121	19.271	-3.898	-5.996	0.388	-0.125	4.476	-4.054	-4.488	8.107	0.051	1.9	-5.049	-2.673	8.097	-1.153	-0.159	-3.443	-1.082	5.349	0.441	-1.159	-2.009	0.3	1.693	-0.844	-0.13
ZINC03815389	780	35.601	-3.209	1.101	-6.324	-2.641	4.007	0.097	-0.335	-0.33	-0.319	0.524	-0.871	-0.461	1.772	-0.035	-0.028	-1.746	-0.114	2.285	-0.326	-0.139	-1.261	0.023	1.194	0.338	-0.257	-0.644	0.069	0.375	0.072	-0.035	371.035	24.179	-2.692	-0.307	-4.844	1.913	4.78	-2.104	-1.874	1.04	-0.046	2.489	-1.597	-1.833	2.182	0.013	0.792	-1.126	-0.712	1.601	-0.175	-0.11	-0.685	0.132	1.089	-0.261	-0.445	-0.203	0.203	0.571	-0.414	-0.153	357.653	21.735	-2.143	0.042	-4.388	0.758	3.63	-1.32	-1.16	0.595	-0.028	1.389	-1.18	-1.076	1.731	-0.008	0.403	-1.132	-0.267	1.399	-0.207	-0.093	-0.735	0.212	0.914	-0.217	-0.314	-0.19	0.159	0.384	-0.324	-0.016	802.655	36.786	-3.592	1.404	-6.631	-2.508	4.504	0.041	-0.812	-0.288	-0.115	0.817	-1.109	-0.682	1.945	-0.05	0.142	-1.733	-0.321	2.415	-0.336	-0.145	-1.228	-0.051	1.286	0.372	-0.35	-0.684	0.132	0.438	-0.003	-0.058	373.609	21.554	-1.976	0.145	-4.329	0.186	3.211	-0.999	-0.792	0.409	-0.098	0.951	-0.966	-0.777	1.569	-0.014	0.226	-1.155	-0.085	1.357	-0.213	-0.092	-0.797	0.244	0.868	-0.182	-0.252	-0.205	0.116	0.316	-0.246	0.03	986.319	42.751	-4.454	2.112	-7.179	-3.846	4.614	0.552	-0.297	-0.624	-0.399	0.609	-0.941	-0.502	1.885	-0.059	-0.014	-1.984	-0.303	2.715	-0.374	-0.154	-1.396	-0.138	1.315	0.673	-0.321	-0.872	0.098	0.44	0.172	-0.117	2366.379	117.077	-11.592	4.415	-22.909	-2.053	18.681	-2.82	-6.78	1.298	0.121	7.209	-5.458	-5.269	8.24	-0.424	2.418	-4.902	-2.866	7.962	-0.846	-0.536	-3.587	-0.291	4.843	0.744	-1.875	-2.064	0.619	2.186	-0.695	-0.455
ZINC03815403	780	41.629	-3.441	1.666	-5.666	-2.971	5.124	0.642	-1.421	-0.197	1.574	-1.118	-0.783	0.187	0.706	0.91	-0.206	-2.191	0.425	1.913	-0.358	0.008	-1.298	-0.05	1.078	0.015	-0.103	-0.21	0.03	-0.057	0.265	0.048	409.185	28.751	-3.035	-0.53	-4.38	1.343	4.881	-1.918	-1.849	0.168	1.49	1.361	-1.601	-1.156	0.85	0.307	0.259	-1.084	-0.331	1.228	-0.159	-0.28	-0.769	0.237	0.663	-0.3	-0.276	0.011	0.165	0.266	-0.223	-0.019	368.762	28.281	-2.389	-0.35	-4.026	0.299	3.969	-1.015	-1.598	0.131	1.265	0.472	-1.172	-0.628	0.783	0.395	0	-1.162	0.022	1.091	-0.185	-0.235	-0.706	0.285	0.654	-0.257	-0.249	0.022	0.156	0.16	-0.162	-0.034	793.672	42.321	-3.525	1.659	-5.881	-2.807	5.47	0.478	-1.61	-0.162	1.654	-0.877	-0.955	0.004	0.789	0.912	-0.082	-2.2	0.279	1.945	-0.292	-0.001	-1.309	-0.09	1.053	0.03	-0.116	-0.198	0.032	-0.02	0.236	0.037	399.793	28.927	-2.33	-0.19	-4.064	-0.063	3.666	-0.643	-1.374	0.006	1.278	0.096	-0.984	-0.403	0.721	0.423	-0.111	-1.213	0.136	1.165	-0.25	-0.207	-0.748	0.257	0.7	-0.26	-0.206	0.017	0.128	0.096	-0.091	-0.007	987.343	47.613	-4.417	2.967	-6.736	-4.139	6.041	1.081	-1.549	-0.208	1.757	-1.488	-0.876	0.285	0.81	1.127	-0.056	-2.703	0.412	2.291	-0.361	0.115	-1.529	-0.241	1.184	0.171	-0.071	-0.295	0.036	-0.101	0.356	0.083	2295.533	134.398	-11.46	3.798	-19.519	-3.317	21.052	-2.403	-7.057	0.007	5.662	1.758	-5.225	-2.514	3.33	2.079	0.935	-5.991	-0.69	5.911	-0.528	-0.388	-4.108	-0.268	3.304	-0.099	-0.707	-0.46	0.083	0.645	0.187	-0.106
ZINC00006094	780	33.621	-3.204	0.175	-5.078	-4.678	7.54	-0.219	-1.061	0.532	0.677	-0.186	-0.935	0.492	1.029	0.838	-0.936	-1.679	0.802	1.721	-0.473	0.343	-1.453	-0.192	1.304	-0.617	0.343	-0.266	0.354	-0.089	-0.059	-0.07	362.207	23.092	-2.777	-2.086	-4.215	-0.013	6.054	-1.884	-1.928	0.695	0.512	2.036	-1.627	-1.172	1.793	0.13	0.155	-0.96	-0.329	1.02	-0.343	-0.129	-0.699	0.096	0.526	-0.387	-0.196	0.213	0.352	0.317	-0.446	-0.083	370.495	22.729	-2.345	-1.817	-3.908	-0.424	5.153	-1.447	-1.552	0.554	0.757	1.158	-1.417	-0.648	1.471	0.273	-0.132	-1.118	0.117	1.124	-0.364	-0.068	-0.794	0.124	0.629	-0.467	-0.101	0.166	0.265	0.191	-0.31	-0.101	790.066	34.753	-3.298	0.072	-5.308	-4.582	7.973	-0.213	-1.192	0.515	0.637	0.083	-1.057	0.322	1.161	0.82	-0.867	-1.565	0.585	1.679	-0.437	0.31	-1.386	-0.263	1.273	-0.602	0.327	-0.227	0.381	-0.04	-0.117	-0.069	394.089	23.131	-2.283	-1.67	-3.79	-0.844	4.972	-1.223	-1.403	0.525	0.832	0.75	-1.283	-0.391	1.34	0.357	-0.296	-1.225	0.329	1.2	-0.387	-0.025	-0.883	0.129	0.709	-0.499	-0.044	0.108	0.237	0.126	-0.223	-0.107	960.999	38.147	-3.958	1.54	-6.076	-6.208	8.763	0.075	-0.911	0.569	0.602	-0.463	-0.862	0.745	1.07	1.027	-1.168	-1.865	0.864	1.927	-0.459	0.491	-1.674	-0.369	1.538	-0.628	0.498	-0.435	0.461	-0.137	-0.089	-0.04	2624.714	119.322	-13.496	-0.274	-19.245	-13.378	33.816	-0.688	-6.475	1.745	1.079	5.91	-5.608	-1.244	5.221	1.46	-1.832	-2.726	-0.802	4.264	-1.611	0.553	-3.069	-1.685	3.105	-1.739	0.11	0.357	2.047	0.518	-1.582	0.246
ZINC00600430	780	32.784	-3.396	0.481	-5.672	-3.823	7.401	-0.469	-1.283	0.382	0.836	0.011	-1.4	0.179	1.514	0.648	-0.715	-1.387	0.443	1.736	-0.218	0.197	-1.261	-0.223	1.211	-0.437	0.116	-0.232	0.232	0.044	-0.138	-0.308	446.36	27.993	-2.921	-2.158	-4.465	0.009	6.971	-2.236	-2.066	0.729	0.305	2.432	-1.954	-1.475	2.143	0.081	0.402	-1.017	-0.592	1.229	-0.307	-0.184	-0.762	0.079	0.582	-0.39	-0.314	0.052	0.334	0.377	-0.409	-0.246	391.64	23.865	-2.466	-1.737	-4.142	-0.214	5.422	-1.642	-1.632	0.554	0.722	1.359	-1.599	-0.825	1.653	0.218	0.014	-1.101	-0.025	1.21	-0.295	-0.088	-0.791	0.103	0.619	-0.442	-0.187	0.123	0.239	0.228	-0.337	-0.203	830.647	35.548	-3.819	0.69	-6.196	-3.86	8.139	-0.64	-1.402	0.321	0.772	0.327	-1.631	-0.021	1.728	0.648	-0.633	-1.258	0.179	1.742	-0.166	0.141	-1.206	-0.314	1.224	-0.426	0.047	-0.232	0.254	0.113	-0.209	-0.331	390.578	22.685	-2.381	-1.599	-3.967	-0.5	5	-1.354	-1.466	0.511	0.848	0.894	-1.424	-0.536	1.484	0.293	-0.17	-1.177	0.212	1.239	-0.306	-0.038	-0.843	0.117	0.662	-0.456	-0.119	0.111	0.209	0.155	-0.265	-0.194	990.462	38.117	-4.436	2.228	-7.104	-5.229	8.68	-0.3	-1.216	0.275	0.837	-0.319	-1.542	0.38	1.775	0.803	-0.943	-1.396	0.367	1.928	-0.094	0.247	-1.401	-0.433	1.461	-0.378	0.147	-0.4	0.27	0.052	-0.188	-0.37	3636.279	151.569	-23.347	8.693	-23.751	-15.511	41.517	-5.779	-6.071	0.625	-0.517	8.619	-9.519	-3.261	8.698	0.831	-0.459	-1.543	-3.397	5.864	-0.954	-0.557	-2.442	-1.836	3.422	-1.34	-1.686	-0.485	1.914	0.806	-1.525	-1.23
ZINC03815123	946	44.243	-3.62	1.318	-6.526	-3.689	5.323	0.58	-1.444	-0.722	0.319	-1.003	0.353	0.187	0.765	0.748	-0.198	-1.882	0.132	1.929	-0.338	0.213	-1.411	-0.364	1.17	0.459	-0.078	-0.745	0.127	-0.127	0.748	-0.129	401.534	27.895	-2.542	-1.668	-4.77	0.482	5.21	-1.884	-2.583	0.306	0.596	1.581	-1.08	-1.381	1.339	0.501	0.406	-1.017	-0.435	0.919	0.194	-0.036	-0.821	-0.055	0.574	0.125	-0.267	-0.391	0.305	0.185	0.041	-0.265	402.947	26.176	-1.846	-1.117	-4.147	-0.257	4.23	-1.061	-1.807	0.117	0.6	0.543	-0.701	-0.695	0.964	0.455	0.064	-0.996	-0.043	0.878	0.034	-0.032	-0.766	-0.01	0.614	0.121	-0.226	-0.334	0.195	0.064	0.115	-0.179	955.887	45.656	-3.75	1.292	-6.816	-3.638	5.745	0.441	-1.76	-0.629	0.412	-0.774	0.218	-0.024	0.935	0.771	-0.092	-1.878	-0.052	2.006	-0.28	0.217	-1.424	-0.45	1.175	0.483	-0.108	-0.76	0.179	-0.104	0.725	-0.164	433.722	26.591	-1.72	-0.827	-4.047	-0.747	3.973	-0.693	-1.525	0.01	0.545	0.103	-0.482	-0.411	0.835	0.437	-0.091	-1.032	0.122	0.915	-0.047	-0.02	-0.798	-0.002	0.666	0.138	-0.198	-0.342	0.151	0.013	0.19	-0.145	1224.334	53.542	-5.385	2.74	-7.893	-5.052	6.179	1.016	-1.586	-0.946	0.238	-1.302	0.648	0.323	0.842	0.935	-0.084	-2.325	-0.056	2.488	-0.464	0.344	-1.667	-0.612	1.346	0.628	-0.022	-0.944	0.198	-0.195	0.965	-0.147	2605.85	140.496	-11.195	0.787	-22.504	-6.794	22.163	-2.324	-9.135	-0.603	1.548	2.192	-1.448	-3.492	5.121	2.229	1.077	-5.08	-2.148	6.134	0.03	0.321	-4.425	-1.662	3.394	1.405	-0.723	-2.279	1.158	0.149	1.586	-0.967
ZINC03815071	1653	58.109	-13.892	11.705	-10.397	-1.481	2.931	2.482	1.181	-1.02	0.297	-4.586	0.641	3.742	-0.427	0.023	-1.881	-2.019	1.719	2.291	-1.318	0.129	-0.425	-0.676	0.923	0.665	0.314	-0.259	-1.497	-0.177	1.234	0.141	594.457	30.445	-6.898	1.532	-4.678	4.123	1.074	-1.287	-2.162	1.383	0.309	-0.103	-1.286	1.13	0.756	-0.871	-0.301	-0.608	1.279	0.047	-0.451	-0.042	0.218	-0.227	0.016	0.018	0.103	0.145	-0.364	0.003	0.095	0.269	532.321	28.632	-4.893	0.931	-4.404	1.63	1.762	-0.778	-0.78	0.742	0.461	-1.398	-0.653	1.566	0.286	-0.518	-0.697	-0.618	1.145	0.236	-0.648	0.137	-0.037	-0.207	0.149	0.165	0.225	-0.111	-0.509	-0.067	0.429	0.053	1620.429	58.871	-13.849	11.3	-10.353	-1.219	3.072	2.272	0.808	-0.865	0.583	-4.582	0.429	3.612	-0.218	0.02	-1.856	-2.036	1.67	2.28	-1.36	0.122	-0.368	-0.717	0.903	0.607	0.314	-0.171	-1.412	-0.25	1.143	0.193	644.309	31.253	-5.559	2.197	-4.882	0.959	1.572	-0.009	-0.467	0.371	0.397	-1.854	-0.324	1.92	0.106	-0.513	-0.865	-0.734	1.249	0.421	-0.675	0.147	-0.138	-0.254	0.252	0.282	0.204	-0.184	-0.618	-0.036	0.586	0.032	2187.552	70.994	-19.157	17.299	-13.237	-2.14	3.522	3.302	1.85	-1.537	0.331	-5.725	0.83	4.507	-0.603	0.385	-2.266	-2.699	1.778	3.241	-1.652	0.13	-0.389	-1.01	1.167	0.792	0.4	-0.175	-1.855	-0.313	1.418	0.241	3129.445	130.339	-27.371	18.007	-21.188	-0.456	8.777	2.636	-2.247	-0.182	2.894	-8.08	-0.763	5.516	1.108	0.38	-3.467	-4.303	3.227	4.45	-2.621	0.081	-0.657	-1.55	1.941	0.91	0.493	0.023	-2.295	-0.722	1.661	0.582
ZINC03815047	820	39.168	-3.251	0.815	-5.957	-3.435	5.339	0.357	-1.94	-0.253	0.746	-0.613	-0.18	0.165	0.699	0.716	0.008	-1.727	0.035	1.775	-0.126	0.273	-1.365	-0.368	1.104	0.355	-0.176	-0.671	0.205	-0.193	0.58	-0.229	550.279	29.395	-3.825	-0.348	-4.612	-0.469	4.684	-0.871	-3.077	1.191	0.418	1.983	-1.267	-0.939	0.687	0.507	0.45	-1.141	-0.582	1.149	0.036	-0.173	-0.607	-0.312	0.802	0.151	-0.207	-0.627	0.551	0.298	0.096	-0.407	388.398	24.663	-2.076	-1.078	-3.892	-0.451	4.144	-0.85	-2.002	0.368	0.628	0.798	-0.831	-0.685	0.891	0.477	0.137	-1.009	-0.142	0.932	0.028	-0.023	-0.726	-0.06	0.661	0.08	-0.239	-0.364	0.247	0.113	0.047	-0.246	843.141	40.849	-3.512	0.816	-6.307	-3.428	5.713	0.274	-2.249	-0.144	0.811	-0.361	-0.277	-0.035	0.837	0.766	0.108	-1.75	-0.159	1.877	-0.095	0.273	-1.377	-0.456	1.121	0.387	-0.193	-0.704	0.262	-0.152	0.566	-0.272	420.809	24.702	-2.063	-0.785	-3.712	-0.864	3.839	-0.489	-1.797	0.35	0.579	0.423	-0.692	-0.358	0.71	0.464	0.003	-1.027	0.005	0.965	-0.045	-0.01	-0.751	-0.058	0.694	0.097	-0.211	-0.374	0.223	0.05	0.108	-0.217	1053.953	47.161	-4.682	2.118	-7.323	-4.691	6.259	0.688	-2.203	-0.389	0.833	-0.898	-0.02	0.314	0.746	0.883	0.143	-2.087	-0.154	2.266	-0.171	0.426	-1.618	-0.608	1.262	0.507	-0.157	-0.84	0.291	-0.309	0.77	-0.269	2443.474	130.545	-11.873	-0.166	-21.514	-7.138	21.517	-2.025	-10.372	0.972	2.33	3.561	-2.292	-3.592	4.614	2.41	1.57	-5.089	-2.547	6.014	0.221	0.449	-4.181	-1.747	3.494	1.161	-0.827	-2.307	1.398	0.299	1.262	-1.369
ZINC03815094	1830	60.765	-13.69	10.51	-10.546	-2.337	2.916	2.355	1.124	-0.826	1.249	-4.8	0.923	3.755	-0.56	0.131	-1.947	-2.215	2.285	1.964	-1.855	0.144	-0.969	-0.726	0.996	0.418	0.288	-0.208	-1.262	-0.109	1.603	-0.043	438.89	26.725	-4.555	-0.536	-4.254	3.239	2.462	-2.586	-1.845	1.431	0.829	-0.596	-1.68	1.281	0.499	-0.264	-0.596	-0.471	1.098	-0.129	-0.574	0.147	-0.037	-0.01	-0.136	-0.184	0.28	-0.036	-0.202	-0.149	0.329	0.092	549.238	29.188	-4.518	0.831	-4.51	1.747	2.032	-1.09	-0.927	0.727	0.905	-1.706	-0.807	1.746	0.19	-0.312	-0.788	-0.613	1.272	0.071	-0.631	0.258	-0.251	-0.169	0.054	0.085	0.228	-0.199	-0.374	-0.103	0.6	0.019	1775.252	61.339	-13.517	10.076	-10.509	-2.124	3.137	2.051	0.705	-0.658	1.532	-4.802	0.673	3.639	-0.362	0.126	-1.918	-2.239	2.187	1.968	-1.839	0.162	-0.887	-0.778	0.954	0.355	0.302	-0.164	-1.156	-0.209	1.479	0.022	660.023	31.821	-4.966	1.782	-4.919	0.933	1.984	-0.341	-0.508	0.404	0.881	-2.231	-0.377	2.023	0.039	-0.326	-0.935	-0.746	1.427	0.246	-0.719	0.282	-0.402	-0.23	0.194	0.201	0.202	-0.257	-0.509	-0.066	0.779	-0.02	2430.257	74.398	-19.066	15.331	-13.361	-3.506	3.294	3.103	1.841	-1.295	1.606	-5.851	1.246	4.475	-0.803	0.465	-2.321	-2.959	2.481	2.819	-2.438	0.066	-1.031	-1.087	1.276	0.45	0.399	-0.102	-1.519	-0.218	1.833	-0.019	3312.07	135.189	-25.245	15.083	-21.847	-2.832	9.7	1.336	-2.775	0.269	4.799	-8.737	-0.535	6.017	0.766	0.505	-3.778	-4.792	3.973	3.869	-3.263	0.321	-1.729	-1.699	1.75	0.331	0.565	-0.201	-1.583	-0.861	2.37	0.333
ZINC03815098	1953	64.738	-17.78	10.667	-11.439	-3.998	1.239	3.443	1.747	-0.427	-0.123	-4.633	0.497	4.476	-0.016	-0.64	-1.774	-2.416	2.277	2.393	-1.702	0.305	-1.097	-0.464	1.001	0.602	0.5	-0.093	-1.893	0.26	0.964	0.291	603.671	25.699	-7.99	-0.804	-4.639	4.013	0.85	-1.627	-1.113	2.198	-0.316	-0.636	-1.585	1.488	0.681	-1.23	-0.327	-0.712	1.511	0.021	-0.271	0.139	0.28	-0.177	-0.375	-0.064	0.325	0.165	-0.471	-0.135	0.073	0.396	584.634	29.282	-6.314	1.143	-4.825	1.495	1.289	-0.732	-0.458	1.005	0.204	-1.734	-0.895	2.184	0.396	-0.844	-0.747	-0.658	1.439	0.043	-0.647	0.31	-0.052	-0.226	-0.082	0.238	0.437	-0.062	-0.566	-0.01	0.429	0.107	1889.974	64.613	-17.441	10.069	-11.302	-3.543	1.362	3.132	1.354	-0.24	0.106	-4.65	0.245	4.391	0.171	-0.727	-1.739	-2.402	2.251	2.386	-1.693	0.316	-0.939	-0.507	0.874	0.569	0.5	0.008	-1.751	0.134	0.875	0.352	728.925	32.855	-7.289	2.195	-5.349	0.551	1.065	0.24	-0.134	0.728	0.114	-2.165	-0.538	2.467	0.224	-0.793	-0.892	-0.867	1.55	0.229	-0.676	0.31	-0.279	-0.272	0.11	0.359	0.411	-0.152	-0.757	0.076	0.565	0.074	2584.257	79.199	-23.959	15.144	-14.524	-5.585	1.158	4.443	2.635	-0.807	-0.18	-5.552	0.668	5.338	-0.018	-0.575	-2.046	-3.186	2.425	3.552	-2.21	0.321	-1.259	-0.617	1.262	0.665	0.577	0.046	-2.302	0.24	0.977	0.464	3308.064	125.234	-32.197	15.146	-21.541	-3.022	4.036	3.361	-0.244	1.312	0.993	-8.532	-1.511	7.905	1.745	-2.278	-3.181	-4.472	4.393	4.653	-3.235	0.526	-0.72	-1.194	0.818	0.83	0.979	0.722	-2.591	-0.567	1.21	1.082
ZINC03815164	1830	62.588	-15.399	11.939	-12.464	-2.257	2.041	2.57	0.963	-1.13	0.558	-5.712	0.988	4.356	-0.377	0.212	-1.542	-2.368	2.688	2.219	-1.532	0.248	-0.75	-0.398	0.636	0.648	0.58	-0.338	-1.419	0.094	1.354	0.192	438.89	26.321	-4.48	-1.132	-4.468	3.077	2.002	-2.789	-1.602	1.74	0.687	-0.814	-1.221	1.368	0.769	-0.484	-0.521	-0.531	1.077	-0.215	-0.677	0.167	0.16	-0.056	-0.163	-0.12	0.36	-0.039	-0.195	-0.119	0.273	0.054	549.238	29.454	-4.741	0.705	-4.847	1.547	1.715	-1.203	-0.828	0.901	0.589	-1.944	-0.43	1.911	0.388	-0.467	-0.649	-0.684	1.284	0.061	-0.703	0.217	-0.092	-0.188	0.028	0.147	0.317	-0.192	-0.41	-0.04	0.543	0	1775.252	62.787	-14.976	11.194	-12.385	-2.057	2.266	2.187	0.586	-0.875	0.848	-5.707	0.832	4.209	-0.118	0.182	-1.507	-2.341	2.573	2.179	-1.523	0.232	-0.636	-0.454	0.623	0.571	0.598	-0.263	-1.285	-0.007	1.263	0.249	660.023	32.461	-5.384	1.935	-5.442	0.752	1.668	-0.413	-0.457	0.505	0.503	-2.516	-0.037	2.243	0.21	-0.452	-0.766	-0.828	1.465	0.274	-0.764	0.235	-0.248	-0.229	0.148	0.269	0.307	-0.263	-0.563	0.011	0.709	-0.019	2430.257	76.418	-21.269	17.284	-15.99	-3.296	2.157	3.463	1.571	-1.75	0.72	-7.132	1.141	5.266	-0.59	0.674	-1.81	-3.106	3.097	3.179	-1.903	0.261	-0.777	-0.537	0.732	0.778	0.778	-0.276	-1.73	0.059	1.506	0.35	3312.07	134.889	-26.391	15.568	-25.982	-2.74	7.743	0.972	-2.551	0.468	3.565	-10.623	0.475	7.031	1.772	0.339	-2.957	-4.708	4.606	3.96	-2.808	0.372	-1.054	-1.055	1.316	0.677	1.204	-0.307	-1.669	-0.526	2.102	0.642
ZINC03815076	1653	58.013	-14.98	10.96	-10.858	-2.211	4.154	2.174	1.931	-0.42	0.485	-4.362	0.636	4.648	-0.067	-0.454	-1.337	-2.485	2.332	1.763	-1.804	0.051	-0.826	-0.412	0.851	0.63	0.022	-0.18	-1.204	-0.002	1.066	0.248	594.457	25.766	-7.789	-0.949	-4.627	3.448	2.689	-2.243	-1.808	1.69	0.268	-0.303	-0.708	1.051	0.955	-0.941	-0.511	-0.838	1.113	-0.427	-0.39	-0.318	0.02	-0.067	-0.335	0.017	0.141	0.111	-0.32	0.186	0.023	0.343	532.321	27.551	-5.264	0.192	-4.253	1.628	2.474	-0.932	-0.314	1.078	0.481	-1.459	-0.431	1.58	0.471	-0.637	-0.642	-0.718	1.157	0.019	-0.637	0.013	-0.104	-0.203	0.037	0.18	0.163	-0.074	-0.476	0.024	0.421	0.042	1620.429	58.421	-14.599	10.238	-10.902	-1.96	4.315	1.879	1.537	-0.197	0.693	-4.379	0.526	4.434	0.179	-0.456	-1.37	-2.472	2.253	1.734	-1.742	0.033	-0.734	-0.444	0.773	0.589	0.043	-0.13	-1.098	-0.061	0.996	0.308	644.309	30.138	-6.369	1.54	-4.779	0.922	2.302	-0.132	0.046	0.751	0.431	-1.874	-0.126	2.027	0.256	-0.659	-0.715	-0.899	1.342	0.2	-0.75	-0.012	-0.243	-0.256	0.174	0.294	0.118	-0.14	-0.602	0.071	0.555	0.022	2187.552	71.111	-20.112	16.221	-14.158	-3.311	5.202	2.762	2.727	-0.78	0.522	-5.39	0.733	5.816	-0.102	-0.291	-1.545	-3.278	2.638	2.515	-2.327	0.105	-0.96	-0.544	1.027	0.746	0.018	-0.142	-1.369	-0.091	1.181	0.448	3129.445	125.102	-26.448	13.242	-22.936	-2.32	11.91	0.826	-0.878	1.635	2.712	-8.094	0.449	6.789	2.175	-0.622	-3.155	-4.99	3.997	3.028	-2.712	-0.183	-1.134	-0.915	1.096	0.944	0.171	-0.086	-1.424	-0.352	1.593	0.923
ZINC03815354	780	31.21	-3.528	-0.445	-5.883	-2.758	5.594	0.147	-1.169	-0.096	0.654	0.151	-0.729	-0.339	1.403	-0.043	-0.905	-1.613	0.186	1.786	-0.609	-0.079	-1.141	-0.098	0.697	-0.184	-0.099	-0.285	-0.074	-0.025	0.32	-0.134	527.292	15.614	-3.096	-0.816	-5.357	2.439	4.184	-0.926	-2.102	0.294	0.373	1.521	-1.875	-1.447	1.97	-0.068	0.16	-1.259	-0.465	1.25	-0.8	0.189	-0.844	0.289	0.325	-0.285	-0.27	-0.199	0.157	0.296	-0.325	-0.14	410.886	19.641	-2.55	-0.338	-4.592	0.574	4.014	-1.131	-1.395	0.412	0.679	1.005	-1.299	-0.906	1.52	-0.038	-0.129	-1.142	-0.047	1.153	-0.535	0.002	-0.752	0.138	0.427	-0.327	-0.227	-0.051	0.048	0.197	-0.177	-0.071	815.363	30.772	-3.843	-0.375	-6.155	-2.584	5.83	0.213	-1.508	-0.004	0.654	0.353	-0.879	-0.554	1.53	-0.088	-0.833	-1.605	0.051	1.783	-0.602	-0.072	-1.147	-0.11	0.672	-0.164	-0.143	-0.298	-0.057	0.024	0.267	-0.135	437.118	19.594	-2.544	-0.373	-4.488	0.235	3.832	-0.798	-1.112	0.323	0.656	0.639	-1.146	-0.702	1.429	-0.038	-0.285	-1.167	0.054	1.246	-0.6	-0.003	-0.802	0.141	0.462	-0.313	-0.178	-0.057	0.029	0.128	-0.087	-0.077	972.275	36.433	-4.814	-0.198	-6.721	-3.846	6.501	0.537	-1.413	-0.207	0.671	0.065	-0.685	-0.386	1.481	-0.038	-1.102	-1.835	0.143	2.074	-0.641	-0.084	-1.262	-0.222	0.753	-0.087	-0.093	-0.433	-0.074	-0.065	0.441	-0.169	2844.144	73.301	-9.649	-1.589	-22.769	-2.871	19.528	1.195	-8.809	0.32	1.425	4.323	-4.405	-4.371	5.994	-1.034	-1.443	-4.692	-1.594	4.316	-1.334	-0.318	-3.72	0.532	1.4	-0.554	-0.99	-0.953	0.257	0.529	-0.31	0.071
ZINC00838734	820	32.462	-3.842	-0.323	-5.89	-3.029	5.855	0.013	-1.039	0.218	0.67	-0.024	-0.71	0.216	1.132	0.102	-1.025	-1.673	0.467	1.895	-0.891	0.09	-1.246	0.039	0.907	-0.347	-0.033	-0.318	0	-0.033	0.251	-0.091	524.739	15.313	-3.149	-0.994	-5.341	2.619	4.061	-0.914	-2.163	0.438	0.378	1.315	-1.85	-1.181	2.001	-0.125	0.052	-1.196	-0.281	1.242	-1.018	0.16	-0.745	0.444	0.401	-0.33	-0.227	-0.16	0.232	0.318	-0.503	-0.104	425.479	20.361	-2.643	-0.504	-4.667	0.682	4.031	-1.167	-1.45	0.55	0.764	0.909	-1.347	-0.674	1.5	-0.038	-0.158	-1.186	0.101	1.199	-0.695	0.009	-0.743	0.284	0.526	-0.389	-0.184	-0.016	0.119	0.209	-0.326	-0.055	847.375	31.469	-4.092	-0.216	-6.153	-2.802	6.05	0.096	-1.369	0.316	0.639	0.143	-0.826	-0.001	1.285	0.042	-0.969	-1.621	0.346	1.864	-0.893	0.074	-1.232	0.04	0.874	-0.322	-0.077	-0.311	0.015	0.012	0.199	-0.09	459.702	20.823	-2.68	-0.562	-4.579	0.295	3.91	-0.825	-1.158	0.464	0.76	0.568	-1.209	-0.448	1.372	-0.013	-0.309	-1.236	0.197	1.312	-0.765	0.032	-0.818	0.269	0.578	-0.386	-0.129	-0.038	0.092	0.147	-0.226	-0.065	1013.253	37.123	-5.221	0.227	-6.742	-4.208	6.858	0.324	-1.173	0.188	0.592	-0.162	-0.613	0.292	1.15	0.133	-1.273	-1.857	0.517	2.177	-0.99	0.139	-1.391	-0.066	1.007	-0.294	-0.024	-0.469	-0.001	-0.081	0.405	-0.11	2846.144	71.459	-9.898	-1.232	-22.314	-3.045	19.419	1.109	-8.495	1.402	1.071	3.025	-3.873	-2.577	5.545	-0.889	-2.035	-4.365	-0.448	4.342	-2.451	-0.189	-3.699	1.048	1.958	-0.924	-0.81	-0.774	0.546	0.512	-0.704	0.292
ZINC00601820	780	31.715	-3.779	-0.328	-5.776	-2.762	5.432	0.216	-1.28	0.046	0.789	-0.066	-0.555	-0.155	1.5	-0.14	-0.791	-1.402	-0.075	2.001	-0.673	-0.146	-1.091	-0.171	0.808	-0.055	-0.09	-0.251	0.045	-0.005	0.249	-0.164	527.292	15.674	-3.232	-1.057	-5.403	2.477	4.185	-0.813	-2.281	0.334	0.465	1.302	-1.718	-1.286	2.048	-0.073	0.037	-1.056	-0.538	1.327	-0.808	0.127	-0.71	0.312	0.44	-0.231	-0.222	-0.194	0.249	0.294	-0.374	-0.222	410.886	19.802	-2.579	-0.466	-4.576	0.525	3.932	-1.067	-1.491	0.499	0.809	0.848	-1.193	-0.802	1.547	-0.051	-0.142	-0.997	-0.167	1.252	-0.53	-0.047	-0.653	0.163	0.51	-0.261	-0.173	-0.038	0.144	0.195	-0.231	-0.129	815.363	31.179	-4.144	-0.23	-6.077	-2.554	5.719	0.277	-1.63	0.128	0.78	0.105	-0.677	-0.367	1.644	-0.192	-0.731	-1.373	-0.202	2.011	-0.673	-0.134	-1.095	-0.181	0.796	-0.028	-0.14	-0.261	0.065	0.045	0.2	-0.176	437.118	19.806	-2.564	-0.498	-4.452	0.181	3.708	-0.721	-1.176	0.418	0.794	0.497	-1.049	-0.597	1.446	-0.056	-0.282	-1.025	-0.088	1.349	-0.595	-0.054	-0.699	0.147	0.547	-0.245	-0.123	-0.041	0.122	0.129	-0.147	-0.131	972.275	37.008	-5.266	0.167	-6.579	-3.839	6.384	0.601	-1.553	-0.08	0.796	-0.203	-0.453	-0.163	1.653	-0.19	-0.948	-1.557	-0.172	2.356	-0.751	-0.155	-1.236	-0.335	0.883	0.071	-0.11	-0.379	0.064	-0.031	0.373	-0.198	2844.144	73.691	-11.067	-1.212	-22.619	-2.583	19.697	1.484	-9.347	0.742	1.492	3.078	-3.342	-3.605	6.338	-1.346	-1.366	-3.789	-2.055	5.075	-1.531	-0.403	-3.511	0.205	1.993	-0.077	-0.973	-0.965	0.663	0.63	-0.471	-0.208
ZINC03815288	861	32.181	-4.156	-0.188	-6.183	-2.825	5.887	0.026	-0.985	0.254	0.603	0.169	-0.981	-0.139	1.358	0.078	-0.873	-1.638	0.234	1.86	-0.771	0.019	-1.184	0.014	0.924	-0.396	-0.105	-0.314	0.033	0.165	0.18	-0.156	568.807	15.099	-3.373	-0.862	-5.293	2.594	4.325	-1.017	-2.259	0.405	0.149	1.447	-1.91	-1.365	2.167	-0.197	0.181	-1.226	-0.427	1.338	-1.005	0.161	-0.809	0.398	0.545	-0.351	-0.283	-0.181	0.239	0.454	-0.512	-0.185	446.649	20.416	-2.752	-0.457	-4.766	0.738	4.154	-1.236	-1.479	0.534	0.667	1.008	-1.436	-0.799	1.623	-0.083	-0.082	-1.206	0.013	1.237	-0.674	-0.002	-0.756	0.268	0.585	-0.408	-0.205	-0.019	0.125	0.287	-0.355	-0.093	902.701	31.443	-4.432	0.106	-6.544	-2.665	6.134	0.078	-1.296	0.344	0.512	0.318	-1.129	-0.386	1.545	0.019	-0.785	-1.591	0.069	1.846	-0.784	0.016	-1.177	-0.007	0.93	-0.383	-0.17	-0.304	0.055	0.258	0.12	-0.181	473.683	20.633	-2.809	-0.518	-4.669	0.41	3.948	-0.879	-1.159	0.446	0.712	0.672	-1.297	-0.563	1.47	-0.057	-0.235	-1.241	0.125	1.318	-0.731	0.014	-0.815	0.27	0.603	-0.403	-0.142	-0.04	0.103	0.209	-0.261	-0.088	1068.379	36.829	-5.605	0.443	-7.114	-4.005	6.874	0.398	-1.078	0.256	0.51	0.045	-0.958	-0.174	1.42	0.138	-1.087	-1.796	0.203	2.121	-0.83	0.044	-1.303	-0.106	1.022	-0.359	-0.131	-0.461	0.047	0.188	0.325	-0.198	3279.575	69.586	-12.519	3.44	-23.07	-3.905	20.49	0.107	-7.898	1.415	-1.014	3.476	-5.12	-4.216	7.057	-1.384	-0.914	-4.213	-1.917	4.677	-2.394	-0.178	-3.677	0.464	2.783	-1.272	-1.377	-0.735	0.661	1.968	-0.891	-0.402
ZINC03815350	903	35.808	-4.624	-0.126	-5.932	-3.323	6.226	0.185	-1.07	0.218	0.279	-0.401	-0.414	-0.129	1.217	0.074	-0.928	-1.654	0.222	1.938	-0.65	0.196	-1.493	-0.071	0.966	0.111	-0.088	-0.194	-0.226	0.038	0.216	-0.051	566.206	15.785	-3.485	-1.268	-5.215	2.455	4.661	-0.971	-2.177	0.278	0.434	1.064	-1.817	-1.232	2.079	-0.037	0.003	-1.02	-0.41	1.255	-0.859	0.205	-0.747	0.289	0.459	-0.141	-0.206	-0.162	0.22	0.294	-0.367	-0.138	455.929	20.661	-2.776	-0.604	-4.499	0.354	4.367	-1.143	-1.427	0.525	0.741	0.594	-1.204	-0.781	1.526	-0.017	-0.24	-1.011	-0.015	1.212	-0.531	0.071	-0.72	0.143	0.544	-0.177	-0.178	0.001	0.089	0.22	-0.231	-0.076	936.077	34.691	-4.815	-0.034	-6.27	-2.992	6.466	0.22	-1.421	0.248	0.266	-0.208	-0.542	-0.34	1.386	0.022	-0.846	-1.601	0.074	1.941	-0.667	0.201	-1.492	-0.096	0.94	0.135	-0.116	-0.219	-0.186	0.072	0.171	-0.045	490.877	21.191	-2.812	-0.568	-4.366	-0.078	4.195	-0.753	-1.142	0.452	0.651	0.195	-1.02	-0.578	1.415	0.007	-0.385	-1.058	0.083	1.299	-0.586	0.086	-0.801	0.131	0.61	-0.147	-0.141	0.004	0.035	0.16	-0.148	-0.084	1128.689	42.039	-6.349	0.51	-6.899	-4.418	7.292	0.503	-1.21	0.134	0.103	-0.486	-0.292	-0.127	1.244	0.104	-1.069	-1.931	0.173	2.272	-0.745	0.282	-1.789	-0.174	1.062	0.276	-0.074	-0.321	-0.293	0.001	0.327	-0.039	3116.673	75.46	-9.994	-2.017	-22.196	-3.098	21.667	0.909	-8.715	0.318	0.444	2.343	-3.275	-3.452	5.841	-0.743	-1.449	-3.911	-1.679	4.955	-1.617	0.385	-4.381	0.148	2.259	0.356	-0.793	-1.001	0.389	0.623	-0.551	0.338
ZINC03815309	990	34.833	-4.18	-0.246	-6.943	-2.615	5.626	0.254	-1.105	0.217	0.536	0.025	-0.764	-0.049	1.543	-0.163	-1.002	-1.866	0.429	2.364	-0.831	-0.146	-1.193	0.064	0.932	-0.19	-0.108	-0.337	-0.158	-0.039	0.3	-0.114	609.182	18.156	-2.84	-1.103	-5.648	3.125	4.528	-1.06	-2.287	0.638	0.336	1.388	-2.048	-1.409	2.222	-0.181	0.082	-1.319	-0.323	1.372	-1.039	0.14	-0.827	0.412	0.538	-0.336	-0.276	-0.172	0.214	0.382	-0.546	-0.103	493.555	21.561	-2.629	-0.457	-5.122	0.933	4.131	-1.219	-1.498	0.642	0.702	0.976	-1.423	-0.808	1.688	-0.129	-0.112	-1.281	0.091	1.333	-0.68	-0.013	-0.793	0.257	0.598	-0.356	-0.222	-0.034	0.071	0.235	-0.341	-0.039	1029.498	34.958	-4.541	-0.124	-7.19	-2.325	5.962	0.323	-1.516	0.342	0.592	0.156	-0.954	-0.278	1.703	-0.209	-0.934	-1.847	0.294	2.352	-0.857	-0.154	-1.187	0.057	0.925	-0.16	-0.166	-0.345	-0.11	0.003	0.211	-0.108	529.573	21.469	-2.665	-0.47	-5.116	0.51	3.866	-0.826	-1.15	0.508	0.652	0.622	-1.235	-0.549	1.55	-0.139	-0.264	-1.321	0.203	1.454	-0.734	-0.005	-0.861	0.25	0.625	-0.333	-0.162	-0.058	0.026	0.166	-0.219	-0.042	1232.054	40.658	-5.856	0.279	-7.892	-3.754	6.582	0.702	-1.293	0.18	0.449	-0.125	-0.668	-0.06	1.656	-0.175	-1.257	-2.094	0.44	2.801	-0.922	-0.193	-1.272	-0.021	1.019	-0.086	-0.119	-0.483	-0.203	-0.106	0.471	-0.168	3413.158	88.228	-9.393	-0.945	-24.854	-0.918	20.299	1.019	-9.282	1.955	1.002	2.878	-4.916	-3.585	6.661	-1.743	-1.99	-5.214	-0.672	5.504	-2.6	-0.707	-3.836	0.918	2.29	-0.575	-1.075	-0.951	0.395	0.532	-0.921	0.328
ZINC03815223	990	34.551	-3.959	-0.412	-6.794	-2.684	5.458	0.104	-1.109	0.028	0.43	0.086	-0.729	-0.056	1.503	-0.025	-0.93	-1.939	0.377	2.245	-0.897	-0.186	-1.3	0.067	0.957	-0.238	-0.09	-0.31	-0.142	0.053	0.389	-0.012	609.182	17.719	-3.117	-1.178	-5.753	2.881	4.283	-1.137	-2.357	0.69	0.357	1.565	-1.985	-1.398	2.358	-0.187	0.02	-1.368	-0.335	1.362	-1.04	0.145	-0.807	0.432	0.542	-0.401	-0.26	-0.134	0.23	0.354	-0.6	-0.089	493.555	21.496	-2.664	-0.526	-5.127	0.854	4.007	-1.276	-1.517	0.635	0.661	1.005	-1.425	-0.798	1.77	-0.124	-0.147	-1.299	0.092	1.295	-0.694	-0.02	-0.789	0.274	0.601	-0.394	-0.207	-0.003	0.081	0.249	-0.357	-0.02	1029.498	34.692	-4.483	-0.213	-6.993	-2.487	5.775	0.173	-1.57	0.154	0.491	0.299	-0.877	-0.281	1.687	-0.072	-0.856	-1.935	0.241	2.242	-0.916	-0.196	-1.298	0.066	0.955	-0.22	-0.152	-0.315	-0.087	0.093	0.296	0	529.573	21.411	-2.599	-0.541	-5.103	0.479	3.758	-0.893	-1.147	0.498	0.62	0.62	-1.255	-0.549	1.612	-0.125	-0.301	-1.34	0.197	1.402	-0.748	-0.014	-0.859	0.262	0.622	-0.365	-0.146	-0.024	0.03	0.193	-0.221	-0.02	1232.054	40.248	-5.565	0.111	-7.678	-3.839	6.363	0.499	-1.314	-0.088	0.315	-0.008	-0.593	-0.064	1.555	0.038	-1.122	-2.204	0.375	2.649	-1.014	-0.249	-1.434	-0.025	1.059	-0.149	-0.099	-0.454	-0.172	0.017	0.61	-0.022	3413.158	85.755	-11.005	-0.292	-24.078	-1.627	19.688	0.703	-9.621	1.731	1.222	4.03	-4.403	-3.535	7.184	-1.163	-1.799	-5.534	-1.002	5.312	-2.503	-0.725	-4.094	0.956	2.46	-0.811	-1.052	-0.819	0.442	0.69	-0.821	0.645
ZINC02047503	990	35.017	-4.771	0.323	-6.352	-3.276	5.364	0.138	-0.933	0.187	0.428	-0.275	-0.67	0.212	1.247	0.242	-1.248	-1.737	0.421	1.894	-0.925	-0.095	-1.093	-0.011	0.775	-0.242	-0.087	-0.273	0.016	-0.037	0.342	-0.089	609.182	17.322	-3.081	-1.077	-5.775	2.917	3.941	-1.167	-2.199	0.599	0.362	1.27	-2.049	-1.148	2.099	-0.064	0.008	-1.352	-0.144	1.226	-1.041	0.151	-0.758	0.465	0.343	-0.36	-0.273	-0.181	0.304	0.269	-0.482	-0.057	493.555	21.764	-2.827	-0.31	-5.008	0.87	3.869	-1.292	-1.434	0.568	0.731	0.804	-1.44	-0.622	1.503	-0.009	-0.23	-1.273	0.197	1.166	-0.711	-0.024	-0.721	0.287	0.448	-0.354	-0.204	-0.039	0.161	0.175	-0.285	-0.026	1029.498	34.609	-4.907	0.374	-6.636	-3.084	5.48	0.199	-1.25	0.314	0.431	-0.134	-0.866	0.029	1.443	0.195	-1.151	-1.73	0.313	1.865	-0.938	-0.092	-1.072	0	0.744	-0.248	-0.137	-0.276	0.046	0.013	0.258	-0.076	529.573	22.104	-2.961	-0.256	-4.923	0.44	3.733	-0.905	-1.126	0.436	0.712	0.447	-1.25	-0.403	1.35	0.014	-0.413	-1.293	0.275	1.272	-0.781	-0.014	-0.782	0.262	0.486	-0.329	-0.147	-0.058	0.125	0.116	-0.168	-0.046	1232.054	40.483	-6.422	0.973	-7.175	-4.688	6.208	0.511	-1.042	0.171	0.256	-0.48	-0.526	0.282	1.327	0.345	-1.55	-1.919	0.405	2.185	-1.029	-0.113	-1.168	-0.126	0.844	-0.17	-0.085	-0.387	-0.007	-0.073	0.51	-0.121	3571.937	86.118	-9.939	-0.715	-24.296	-3.178	16.952	1.177	-7.882	2.484	1.037	2.372	-5.315	-2.31	7.035	-0.148	-1.944	-5.518	-0.357	4.283	-2.752	-0.5	-3.355	0.913	1.695	-1.303	-1.308	-0.882	1.017	0.48	-0.974	0.6
ZINC03815370	990	37.204	-4.31	-1.242	-6.845	-2.964	5.749	0.13	-1.166	-0.009	0.418	-0.002	-0.929	-0.185	1.69	-0.272	-0.843	-1.767	0.361	2.275	-1.01	-0.029	-1.268	-0.07	1.147	-0.078	-0.056	-0.332	0.007	-0.033	0.311	-0.097	609.182	15.677	-3.02	-1.481	-6.07	2.874	4.658	-1.177	-2.238	0.512	0.38	1.381	-2.067	-1.368	2.302	-0.161	0.139	-1.205	-0.307	1.315	-1.001	0.109	-0.837	0.375	0.608	-0.356	-0.299	-0.15	0.296	0.319	-0.581	-0.144	493.555	21.277	-2.7	-0.748	-5.232	0.869	4.237	-1.271	-1.519	0.573	0.697	0.93	-1.483	-0.822	1.742	-0.158	-0.074	-1.218	0.103	1.323	-0.717	-0.012	-0.82	0.239	0.665	-0.346	-0.233	-0.017	0.145	0.207	-0.344	-0.065	1029.498	36.319	-4.783	-1.124	-7.159	-2.773	6.152	0.234	-1.595	0.109	0.488	0.135	-1.08	-0.37	1.844	-0.329	-0.769	-1.738	0.234	2.253	-1.057	-0.032	-1.256	-0.095	1.154	-0.051	-0.123	-0.334	0.058	0.009	0.221	-0.103	529.573	21.736	-2.747	-0.733	-5.151	0.46	3.971	-0.888	-1.172	0.428	0.637	0.571	-1.329	-0.602	1.63	-0.187	-0.217	-1.263	0.197	1.435	-0.772	0.011	-0.881	0.223	0.713	-0.319	-0.174	-0.044	0.104	0.144	-0.22	-0.061	1232.054	43.553	-5.988	-1	-7.763	-4.266	6.69	0.584	-1.375	-0.15	0.299	-0.141	-0.871	-0.227	1.831	-0.332	-1.034	-1.979	0.348	2.658	-1.186	-0.007	-1.368	-0.218	1.296	0.076	-0.033	-0.49	0.031	-0.081	0.491	-0.12	3413.158	79.417	-11.511	-3.453	-25.992	-2.876	21.492	0.659	-9.003	1.175	0.766	3.011	-4.855	-3.463	7.146	-1.843	-1.427	-4.634	-0.769	5.309	-2.859	-0.339	-3.943	0.528	3.068	-0.401	-1.072	-0.859	0.759	0.552	-0.912	0.048
ZINC03815299	903	32.323	-4.531	-0.034	-6.766	-2.296	5.672	-0.158	-1.063	-0.027	0.573	0.123	-0.556	-0.062	1.192	-0.012	-0.803	-1.767	0.476	1.768	-0.888	0.263	-1.146	0.068	0.692	-0.342	0.101	-0.326	-0.091	-0.056	0.282	0.001	647.31	15.742	-3.829	-0.442	-5.633	2.662	4.217	-0.969	-2.26	0.437	0.086	1.551	-1.574	-1.323	2.043	-0.221	0.086	-1.29	-0.193	1.178	-1.051	0.29	-0.717	0.346	0.196	-0.436	-0.243	-0.028	0.169	0.288	-0.283	-0.069	491.004	20.825	-3.018	-0.26	-5.097	0.947	4.147	-1.284	-1.479	0.473	0.641	1.02	-1.243	-0.78	1.513	-0.136	-0.106	-1.247	0.162	1.11	-0.714	0.08	-0.693	0.271	0.366	-0.38	-0.16	0.011	0.096	0.162	-0.246	-0.02	962.315	31.649	-5.073	0.22	-7.095	-2.193	5.887	-0.096	-1.418	0.054	0.44	0.327	-0.625	-0.282	1.34	-0.096	-0.699	-1.739	0.391	1.73	-0.917	0.336	-1.155	0.066	0.653	-0.342	0.076	-0.312	-0.092	-0.014	0.258	-0.006	507.248	20.969	-3.004	-0.401	-5.001	0.678	3.957	-0.957	-1.171	0.359	0.721	0.646	-1.123	-0.531	1.379	-0.084	-0.282	-1.311	0.245	1.232	-0.767	0.063	-0.75	0.269	0.427	-0.377	-0.099	-0.034	0.085	0.099	-0.174	-0.006	1115.255	36.846	-6.065	0.488	-7.761	-3.349	6.523	0.114	-1.212	-0.127	0.476	0.004	-0.422	-0.049	1.245	0.028	-0.956	-1.969	0.52	2.044	-0.985	0.375	-1.274	-0.024	0.764	-0.319	0.171	-0.475	-0.141	-0.083	0.441	0.004	3999.284	81.916	-23.897	5.967	-24.085	-6.605	20.464	1.363	-10.832	2.125	-1.963	3.324	-1.371	-4.132	5.138	-1.515	-1.025	-5.248	0.956	2.866	-3.05	2.971	-4.745	0.875	1.382	-1.772	-0.262	-0.268	-0.676	0.679	0.339	-0.218
ZINC03815128	2080	69.775	-20.032	12.123	-12.639	-4.171	2.737	3.272	0.944	-0.333	0.189	-5.036	0.7	3.622	-0.122	-1.132	-1.86	-2.317	1.657	2.799	-2.211	-0.043	-1.013	-0.463	0.785	0.728	0.765	-0.456	-1.425	-0.434	1.497	0.373	654.435	29.229	-8.087	0.448	-5.606	3.344	2.618	-1.878	-1.408	1.907	0.339	-0.116	-1.748	1.758	0.816	-0.981	-0.389	-0.457	1.148	0.044	-0.893	-0.211	0.297	0.075	-0.209	-0.188	0.529	0.114	-0.274	-0.163	-0.016	0.324	618.651	30.707	-6.692	1.358	-4.904	1.075	1.968	-0.744	-0.567	1.203	0.459	-1.638	-0.769	1.947	0.359	-0.92	-0.662	-0.51	1.139	0.365	-0.947	0.131	-0.08	-0.123	0.042	0.05	0.432	-0.161	-0.528	-0.191	0.477	0.148	2031.857	70.998	-20.205	11.448	-12.431	-3.752	2.888	2.96	0.564	-0.093	0.582	-5.131	0.418	3.594	0.044	-1.123	-1.837	-2.332	1.566	2.85	-2.335	0.003	-0.876	-0.479	0.724	0.601	0.762	-0.369	-1.249	-0.564	1.336	0.424	761.311	33.618	-7.43	2.77	-5.528	0.075	1.789	0.245	-0.302	0.835	0.305	-2.098	-0.314	2.201	0.177	-0.946	-0.804	-0.675	1.246	0.533	-0.955	0.099	-0.281	-0.155	0.187	0.248	0.447	-0.263	-0.68	-0.14	0.689	0.137	2760.889	86.965	-27.554	17.11	-16.265	-5.769	3.07	4.286	1.486	-0.747	0.256	-6.339	0.852	4.187	-0.196	-1.115	-2.243	-3.106	1.589	3.959	-2.915	-0.087	-1.143	-0.723	0.918	0.891	1.035	-0.504	-1.627	-0.695	1.727	0.529	3624.944	141.56	-39.134	17.62	-23.871	-3.39	7.559	2.619	-1.52	2.056	2.698	-9.302	-1.246	6.641	1.377	-2.461	-3.54	-4.148	2.519	5.612	-5.13	0.056	-0.77	-0.778	1.097	0.221	1.366	-0.106	-1.49	-1.702	1.511	1.088
ZINC03815114	1275	54.319	-8.167	5.581	-8.066	-4.678	3.96	1.349	0.118	-0.597	-0.27	-1.465	0.237	1.057	1.098	-0.07	-0.937	-2.058	0.283	2.643	-1.054	-0.235	-1.073	-0.297	0.979	0.461	0.192	-0.634	-0.25	0.108	0.789	0.048	450.381	29.583	-3.944	-0.943	-5.225	1.331	4.656	-2.323	-2.151	0.771	0.574	1.327	-1.519	-0.886	1.69	-0.169	0.231	-1.008	-0.188	0.99	-0.343	-0.056	-0.404	0.209	0.383	-0.044	-0.116	-0.215	0.186	0.14	0.06	-0.155	478.574	28.496	-3.104	-0.144	-4.695	-0.036	3.609	-1.042	-1.31	0.337	0.501	0.286	-0.83	-0.185	1.241	-0.101	-0.172	-0.946	0.104	0.98	-0.373	-0.088	-0.528	0.122	0.457	0.027	-0.083	-0.262	0.066	0.118	0.14	-0.082	1277.342	56.138	-8.598	5.445	-8.186	-4.49	4.416	1.117	-0.326	-0.491	0.017	-1.36	0.012	0.87	1.268	-0.116	-0.803	-2.067	0.132	2.714	-1.041	-0.228	-1.013	-0.32	0.955	0.465	0.152	-0.592	-0.161	0.08	0.724	0.034	530.679	29.371	-2.993	0.39	-4.719	-0.791	3.273	-0.464	-0.912	0.148	0.355	-0.151	-0.489	0.121	1.089	-0.088	-0.385	-0.972	0.238	1.052	-0.417	-0.105	-0.624	0.085	0.523	0.082	-0.055	-0.312	-0.01	0.116	0.233	-0.053	1661.613	66.741	-11.885	8.7	-9.671	-6.349	4.368	1.954	0.453	-0.765	-0.531	-1.886	0.378	1.343	1.18	-0.086	-0.993	-2.619	0.121	3.462	-1.367	-0.27	-1.166	-0.537	1.069	0.669	0.335	-0.743	-0.259	0.047	0.985	0.089	3060.851	150.053	-21.216	9.055	-23.306	-6.925	17.873	-1.569	-5.881	0.134	1.049	0.853	-2.635	-1.282	5.696	-0.675	-0.369	-5.095	-1.699	7.221	-1.953	-0.551	-2.639	-0.649	2.64	1.103	-0.206	-1.557	0.542	0.393	1.178	-0.464
ZINC03815099	2278	63.902	-19.816	14.734	-12.939	-4.544	2.535	4.426	2.004	-0.785	-0.374	-6.356	1.781	4.155	0.636	-0.659	-2.323	-2.726	2.429	3.201	-2.605	0.246	-1.011	-0.665	1.202	0.673	0.18	-0.286	-1.816	-0.369	1.648	0.324	489.847	27.226	-6.52	0.631	-4.785	3.533	2.455	-2.586	-1.17	1.832	0.52	-0.895	-1.811	1.268	1.038	-0.926	-0.67	-0.572	1.245	0.201	-1.057	0.285	0.09	0.049	-0.3	-0.361	0.391	0.145	-0.25	-0.216	0.252	0.202	636.84	29.129	-6.311	2.192	-5.116	1.426	1.882	-0.69	-0.451	0.993	0.443	-2.155	-0.653	1.822	0.67	-0.778	-0.928	-0.725	1.35	0.391	-0.941	0.371	-0.232	-0.187	0.034	0.04	0.331	-0.123	-0.462	-0.175	0.608	0.137	2204.778	65.665	-19.982	14.231	-12.749	-4.132	2.815	4.083	1.573	-0.573	0.144	-6.428	1.438	4.008	0.84	-0.753	-2.227	-2.757	2.329	3.206	-2.659	0.28	-0.858	-0.71	1.114	0.567	0.168	-0.166	-1.647	-0.502	1.486	0.383	778.299	31.527	-6.822	3.389	-5.713	0.334	1.744	0.293	-0.048	0.606	0.257	-2.779	-0.057	2.153	0.545	-0.741	-1.127	-0.868	1.503	0.602	-0.985	0.386	-0.436	-0.261	0.244	0.219	0.298	-0.24	-0.642	-0.146	0.831	0.113	3032.77	79.451	-27.564	20.949	-16.387	-6.39	2.782	5.88	2.974	-1.279	-0.475	-7.927	2.254	5.001	0.712	-0.576	-2.701	-3.697	2.611	4.523	-3.488	0.214	-1.013	-0.977	1.476	0.826	0.168	-0.176	-2.283	-0.583	1.863	0.459	3821.069	135.978	-38.401	24.333	-24.83	-4.135	7.887	4.674	0.148	0.774	2.528	-11.708	0.241	6.57	3.289	-2.418	-3.851	-5.141	4.102	6.215	-5.379	0.468	-0.882	-1.391	1.636	0.314	0.26	0.333	-2.193	-1.61	1.97	1.056
ZINC03815074	1128	49.764	-7.734	5.081	-7.631	-4.299	3.842	1.153	-0.279	-0.563	0.223	-1.206	-0.029	0.913	1.12	-0.125	-0.491	-1.935	0.219	2.329	-0.844	-0.318	-1.055	-0.271	0.985	0.297	0.09	-0.473	-0.282	0.099	0.543	0.014	608.147	31.151	-5.144	0.378	-5.051	0.704	4.43	-1.213	-2.71	1.342	0.073	1.57	-1.629	-0.467	1.14	-0.066	0.447	-1.029	-0.278	1.032	-0.594	-0.286	-0.271	-0.01	0.675	-0.055	-0.104	-0.447	0.413	0.237	0.067	-0.266	462.752	27.013	-3.338	-0.09	-4.495	-0.071	3.534	-0.844	-1.455	0.46	0.481	0.472	-0.914	-0.254	1.21	-0.061	-0.002	-0.919	-0.005	0.949	-0.374	-0.13	-0.546	0.072	0.554	-0.029	-0.111	-0.269	0.079	0.143	0.027	-0.106	1146.497	51.764	-8.327	4.951	-7.804	-4.131	4.273	0.971	-0.731	-0.433	0.468	-1.078	-0.234	0.727	1.273	-0.152	-0.356	-1.96	0.059	2.427	-0.874	-0.316	-1.002	-0.3	0.974	0.313	0.052	-0.455	-0.186	0.087	0.482	0.001	516.492	27.54	-3.319	0.471	-4.446	-0.77	3.127	-0.278	-1.134	0.331	0.348	0.095	-0.631	0.094	1.019	-0.039	-0.179	-0.937	0.121	1.004	-0.412	-0.164	-0.63	0.038	0.609	0.017	-0.079	-0.316	0.015	0.144	0.112	-0.077	1462.056	61.141	-11.106	8.042	-9.246	-5.849	4.274	1.694	-0.069	-0.808	0.171	-1.629	0.078	1.194	1.196	-0.182	-0.438	-2.445	0.078	3.06	-1.101	-0.382	-1.135	-0.491	1.068	0.476	0.186	-0.535	-0.309	0.031	0.694	0.053	2884.976	140.291	-22.068	7.921	-22.523	-6.576	17.264	-1.224	-7.002	0.73	1.679	1.704	-3.083	-1.782	5.593	-0.522	0.795	-4.985	-2.035	6.701	-1.89	-0.807	-2.655	-0.764	2.96	0.721	-0.423	-1.376	0.577	0.524	0.61	-0.659
ZINC03815065	2080	53.535	-18.736	11.352	-10.751	-4.944	3.965	2.628	2.142	-0.878	-0.723	-4.641	0.954	4.562	0.138	-0.605	-1.043	-2.573	2.474	2.782	-2.298	0.236	-0.799	-0.508	0.911	0.665	0.739	-0.104	-1.929	-0.095	1.129	0.722	654.435	26.108	-7.231	-0.578	-5.453	3.684	2.441	-2.028	-1.101	2.201	0.221	-0.2	-1.506	1.664	1.079	-0.864	-0.267	-0.427	1.326	-0.078	-0.769	-0.084	0.311	0.247	-0.06	0.005	0.428	0.219	-0.564	-0.169	-0.191	0.492	618.651	25.241	-5.958	0.328	-4.711	1.207	2.2	-0.932	-0.178	1.097	0.291	-1.638	-0.747	2.041	0.535	-0.873	-0.488	-0.582	1.363	0.222	-0.849	0.162	-0.066	-0.071	0.094	0.091	0.46	-0.06	-0.675	-0.058	0.28	0.296	2031.857	55.395	-18.594	10.555	-10.531	-4.486	4.12	2.357	1.656	-0.635	-0.292	-4.722	0.678	4.508	0.293	-0.686	-0.996	-2.558	2.397	2.816	-2.338	0.227	-0.651	-0.512	0.871	0.608	0.737	-0.006	-1.775	-0.23	0.975	0.767	761.311	27.236	-6.829	1.784	-5.388	0.085	2.086	0.049	0.177	0.76	0.072	-2.052	-0.309	2.374	0.325	-0.832	-0.581	-0.764	1.512	0.385	-0.893	0.16	-0.258	-0.12	0.247	0.248	0.47	-0.167	-0.855	0.024	0.479	0.302	2760.889	66.384	-25.713	16.424	-13.41	-6.823	4.764	3.393	3.097	-1.489	-1.017	-5.657	1.306	5.57	0.093	-0.377	-1.108	-3.485	2.729	4.009	-3.063	0.329	-0.84	-0.767	1.069	0.81	0.926	0.03	-2.316	-0.288	1.293	0.966	3624.944	115.556	-34.162	14.789	-19.768	-4.618	9.617	1.901	0.052	1.189	1	-8.563	-0.849	7.892	2.071	-2.053	-1.9	-4.38	4.201	5.466	-4.552	0.021	-0.315	-0.901	1.54	0.805	1.329	0.607	-2.634	-1.108	0.802	1.738
ZINC03815091	2145	68.579	-18.246	12.73	-11.714	-2.451	3.139	2.544	1.954	-0.792	-0.216	-4.96	1.232	4.963	-0.513	-0.788	-1.602	-2.804	3.101	2.892	-2.269	0.389	-0.958	-0.672	1.194	0.602	0.271	-0.05	-2.12	0.108	1.512	0.519	645.625	30.063	-8.966	1.069	-4.818	6.23	1.531	-2.559	-1.49	1.51	0.154	0.329	-1.414	1.985	0.923	-1.261	-0.217	-0.938	1.974	-0.104	-0.751	-0.094	0.137	-0.061	-0.226	-0.084	0.679	0.049	-0.602	0.101	0.002	0.304	638.03	31.538	-6.482	1.307	-4.879	2.854	1.738	-1.086	-0.267	0.951	0.427	-1.564	-0.644	2.317	0.303	-1.005	-0.687	-0.698	1.805	0.219	-0.92	0.275	-0.119	-0.226	0.009	0.142	0.449	-0.128	-0.703	0.009	0.506	0.121	2071.463	68.35	-18.027	12.125	-11.597	-1.932	3.24	2.195	1.63	-0.646	0.128	-4.917	0.965	4.886	-0.364	-0.882	-1.586	-2.777	3.025	2.837	-2.26	0.377	-0.839	-0.696	1.118	0.531	0.33	0.019	-1.985	-0.005	1.391	0.564	797.767	35.55	-7.407	2.496	-5.471	1.877	1.577	-0.142	-0.027	0.561	0.349	-2.091	-0.184	2.661	0.125	-0.937	-0.787	-0.923	1.999	0.442	-0.986	0.278	-0.324	-0.285	0.204	0.301	0.386	-0.197	-0.869	0.079	0.69	0.096	2835.646	83.406	-24.797	18.423	-14.889	-3.803	3.818	3.128	2.943	-1.3	-0.408	-6.004	1.559	5.952	-0.747	-0.677	-1.848	-3.774	3.385	4.125	-2.94	0.438	-1.011	-0.934	1.551	0.64	0.319	0.12	-2.603	0.049	1.726	0.801	3599.355	132.408	-34.598	19.417	-22.246	0.69	7.835	1.083	0.814	0.325	1.765	-8.337	-0.189	9.031	0.583	-2.701	-3.002	-5.222	5.649	5.209	-4.418	0.572	-0.847	-1.403	1.692	0.497	1.103	0.49	-3.177	-0.678	1.961	1.374
ZINC03815279	1326	52.646	-8.617	6.724	-8.221	-3.089	3.572	1.633	-0.022	-0.411	-0.424	-1.148	0.006	0.935	1.03	0.075	-0.734	-2.417	0.95	2.692	-1.044	0.145	-1.202	-0.321	0.993	0.051	0.094	-0.37	-0.665	0.234	0.861	-0.014	647.405	27.169	-5.71	-1.627	-5.54	3.251	3.831	-1.087	-2.379	1.707	-0.025	2.036	-1.722	-0.321	1.56	0.041	0.441	-1.317	-0.646	1.461	-0.739	0.013	-0.416	-0.297	0.359	-0.429	-0.091	-0.309	0.211	0.42	-0.147	-0.284	526.675	27.395	-3.65	0.219	-4.683	0.772	3.253	-0.876	-1.528	0.826	0.331	0.568	-0.906	-0.13	1.341	-0.146	0.031	-1.045	0.054	1.221	-0.525	0.032	-0.63	-0.08	0.543	-0.235	-0.073	-0.127	-0.027	0.256	0.05	-0.125	1328.948	53.978	-9.173	6.37	-8.318	-2.742	3.964	1.397	-0.399	-0.289	-0.136	-1.001	-0.197	0.772	1.214	0.035	-0.622	-2.443	0.725	2.793	-1.06	0.155	-1.155	-0.363	0.988	0.033	0.042	-0.357	-0.587	0.264	0.758	-0.009	600.587	28.379	-3.642	0.821	-4.843	0.07	2.869	-0.193	-1.247	0.686	0.172	0.179	-0.605	0.182	1.121	-0.059	-0.202	-1.099	0.231	1.3	-0.566	0.039	-0.719	-0.116	0.573	-0.172	-0.033	-0.173	-0.115	0.224	0.188	-0.099	1705.848	64.689	-12.369	10.104	-9.935	-4.138	3.939	2.271	0.498	-0.822	-0.677	-1.536	0.081	1.162	1.054	0.141	-0.831	-3.115	1.067	3.403	-1.325	0.234	-1.311	-0.453	1.082	0.158	0.158	-0.454	-0.829	0.247	1.061	0.032	3173.34	137.495	-23.833	10.093	-22.397	-2.292	15.4	-0.978	-5.345	1.573	0.35	2.207	-3.267	-1.175	5.734	-0.423	0.101	-6.029	-0.826	7.891	-2.274	0.407	-2.995	-1.144	3.089	-0.468	-0.432	-1.055	-0.606	1.514	0.735	-0.424
ZINC03815062	1830	63.273	-14.419	13.464	-12.156	-0.439	1.926	2.018	1.413	-0.913	0.09	-4.929	0.333	3.795	-0.051	-0.346	-1.421	-2.105	2.329	2.497	-1.511	0.069	-1.072	-0.309	0.53	0.652	0.391	-0.409	-1.486	0.235	1.276	0.364	636.114	30.118	-6.459	0.206	-4.517	4.122	1.684	-2.09	-1.996	1.878	-0.16	-0.083	-1.079	0.52	0.78	-0.564	-0.406	-0.896	1.415	-0.184	-0.249	-0.119	0.067	-0.244	-0.092	-0.134	0.245	0.096	-0.349	0.141	0.022	0.41	583.337	29.942	-5.068	1.213	-4.539	1.675	1.717	-1.059	-0.622	0.857	0.213	-1.578	-0.538	1.263	0.463	-0.577	-0.642	-0.761	1.211	0.188	-0.576	0.082	-0.164	-0.225	0.037	0.162	0.221	-0.147	-0.494	0.028	0.473	0.101	1788.801	63.796	-14.41	12.645	-11.982	-0.26	2.131	1.735	1.091	-0.696	0.349	-4.875	0.198	3.633	0.149	-0.311	-1.421	-2.116	2.25	2.429	-1.482	0.036	-0.941	-0.356	0.499	0.586	0.405	-0.352	-1.373	0.148	1.167	0.434	709.137	32.833	-5.795	2.802	-5.251	1.092	1.422	-0.257	-0.349	0.531	0.1	-2.038	-0.227	1.644	0.284	-0.599	-0.725	-0.875	1.373	0.4	-0.622	0.086	-0.339	-0.265	0.166	0.296	0.197	-0.214	-0.658	0.111	0.647	0.086	2419.313	77.767	-20.03	19.29	-15.684	-0.61	2.21	2.605	2.23	-1.414	0.2	-6.074	0.296	4.739	-0.164	-0.082	-1.634	-2.743	2.638	3.554	-1.959	0.074	-1.225	-0.382	0.569	0.742	0.563	-0.462	-1.734	0.241	1.395	0.602	3399.775	136.877	-27.04	17.896	-23.249	0.935	7.775	0.646	-1.218	0.665	1.9	-8.386	-0.517	5.361	1.923	-0.098	-2.876	-4.577	4.207	4.135	-2.411	-0.27	-1.408	-0.809	0.992	0.718	0.84	-0.453	-1.996	-0.187	1.699	1.177
ZINC03815132	2016	65.966	-14.795	13.274	-11.685	-2.873	2.607	2.524	2.725	-1.226	-0.028	-5.6	1.523	3.873	0.361	-0.397	-1.68	-2.827	2.316	3.027	-2.184	0.527	-1.376	-0.587	0.742	0.674	0.205	-0.366	-1.773	0.218	1.415	0.184	474.238	27.999	-4.431	-1.315	-4.017	3.023	2.86	-2.777	-1.018	1.837	0.31	-0.779	-1.25	0.863	0.818	-0.565	-0.766	-0.502	1.041	0.048	-0.766	0.162	0.068	-0.039	-0.277	-0.066	0.296	-0.058	-0.294	-0.11	0.276	0.076	601.02	30.792	-4.624	0.881	-4.496	1.318	2.177	-1.093	-0.245	0.89	0.361	-1.938	-0.393	1.438	0.529	-0.619	-0.836	-0.729	1.269	0.37	-0.836	0.31	-0.27	-0.203	0.018	0.187	0.249	-0.239	-0.556	-0.007	0.556	-0.007	1951.277	66.303	-14.506	12.274	-11.547	-2.528	2.871	2.181	2.316	-0.928	0.255	-5.573	1.327	3.684	0.583	-0.401	-1.691	-2.752	2.216	2.948	-2.128	0.483	-1.22	-0.63	0.699	0.599	0.238	-0.301	-1.631	0.121	1.292	0.263	725.572	33.853	-5.158	2.371	-5.046	0.43	2.001	-0.258	0.195	0.452	0.288	-2.534	0.052	1.778	0.422	-0.645	-0.939	-0.92	1.445	0.626	-0.941	0.365	-0.488	-0.253	0.174	0.306	0.223	-0.317	-0.746	0.053	0.731	-0.042	2674.223	80.918	-20.756	18.881	-14.994	-3.929	3.012	3.2	3.961	-1.827	-0.071	-6.848	1.918	4.796	0.367	-0.171	-1.9	-3.757	2.489	4.207	-2.796	0.589	-1.53	-0.843	0.851	0.793	0.239	-0.301	-2.109	0.226	1.563	0.384	3589.9	141.967	-25.199	16.182	-23.294	-2.584	9.769	1.311	1.073	0.745	1.943	-10.221	1.242	5.679	2.935	-0.704	-3.763	-5.262	3.969	5.21	-3.597	0.604	-1.981	-1.296	1.207	0.735	0.681	-0.412	-2.314	-0.328	2.046	0.829
ZINC03815113	946	41.352	-4.415	2.449	-6.983	-3.404	5.046	1.073	-1.739	-0.523	0.592	-0.683	0.049	0.042	1.038	0.681	-0.18	-1.77	0.428	2.162	-0.126	0.029	-1.597	0.155	0.866	0.644	-0.275	-0.678	-0.023	-0.033	0.524	-0.188	590.461	28.031	-4.924	-0.198	-4.318	-0.341	4.891	-0.808	-3.014	1.03	0.546	1.867	-1.351	-0.935	0.917	0.651	0.516	-1.172	-0.58	1.217	-0.041	-0.202	-0.578	-0.062	0.826	0.201	-0.097	-0.75	0.4	0.199	0.055	-0.4	432.208	24.579	-2.447	-0.741	-4.072	-0.649	4.107	-0.679	-1.869	0.266	0.672	0.77	-0.813	-0.673	1.042	0.484	0.126	-1.073	-0.116	1.013	0.003	-0.1	-0.787	0.103	0.618	0.129	-0.178	-0.424	0.171	0.133	0.025	-0.253	965.805	42.886	-4.797	2.327	-7.205	-3.345	5.478	0.98	-2.07	-0.447	0.715	-0.444	-0.036	-0.176	1.184	0.73	-0.049	-1.791	0.227	2.26	-0.099	0.02	-1.566	0.085	0.893	0.644	-0.278	-0.713	0.02	-0.001	0.483	-0.196	473.577	24.606	-2.472	-0.285	-3.994	-1.084	3.77	-0.256	-1.65	0.238	0.558	0.394	-0.632	-0.367	0.882	0.458	-0.031	-1.086	0.057	1.065	-0.055	-0.092	-0.841	0.13	0.649	0.186	-0.172	-0.425	0.127	0.096	0.098	-0.233	1216.595	50.347	-6.531	4.305	-8.633	-4.432	5.87	1.6	-2.009	-0.807	0.714	-0.998	0.309	0.107	1.17	0.846	-0.091	-2.104	0.423	2.811	-0.169	0.098	-1.887	0.12	0.904	0.888	-0.328	-0.826	0.001	-0.097	0.65	-0.149	2683.806	131.327	-14.569	2.488	-22.458	-6.88	21.362	-0.185	-9.826	0.163	2.266	3.414	-1.914	-3.859	5.577	2.401	1.539	-5.315	-1.862	6.869	0.198	-0.155	-4.298	-0.339	3.082	1.481	-0.824	-2.414	0.663	0.443	0.926	-1.104
ZINC03815105	1830	59.403	-13.98	11.787	-10.56	-2.491	2.542	3.296	0.383	-0.511	0.738	-4.592	1.224	3.74	-0.517	-0.18	-2.249	-2.161	2.036	2.297	-1.621	0.09	-1.027	-0.768	1.029	0.402	0.027	-0.489	-1.462	0.1	1.168	0.212	636.114	29.495	-5.945	1.203	-4.33	5.072	1.428	-1.787	-2.283	1.788	0.131	0.076	-1.62	1.052	0.474	-0.597	-0.578	-0.566	1.061	-0.073	-0.458	-0.065	0.101	0.163	0.146	-0.167	0.137	-0.141	-0.436	-0.067	0.134	0.301	583.337	29.066	-5.103	1.476	-4.369	1.738	1.877	-0.738	-1.054	0.783	0.595	-1.485	-0.73	1.618	0.19	-0.395	-0.844	-0.629	1.184	0.195	-0.636	0.175	-0.18	-0.149	0.189	0.134	0.18	-0.299	-0.479	-0.041	0.453	0.034	1788.801	60.353	-14.035	11.399	-10.522	-2.106	2.739	2.944	0.038	-0.397	1.012	-4.556	0.958	3.585	-0.327	-0.177	-2.212	-2.132	1.95	2.276	-1.62	0.087	-0.919	-0.77	0.985	0.357	0.031	-0.414	-1.381	0.018	1.052	0.28	709.137	31.561	-5.665	2.742	-4.801	0.954	1.657	0.154	-0.726	0.559	0.504	-1.936	-0.327	1.922	-0.012	-0.405	-1.028	-0.779	1.314	0.363	-0.683	0.191	-0.337	-0.222	0.318	0.241	0.142	-0.385	-0.605	0.009	0.602	0.017	2419.313	72.941	-19.363	16.875	-13.564	-3.481	2.829	4.31	0.833	-0.886	1.02	-5.651	1.699	4.493	-0.682	0.008	-2.717	-2.81	2.169	3.275	-2.101	0.017	-1.152	-1.099	1.251	0.414	-0.007	-0.436	-1.802	0.099	1.266	0.376	3399.775	132.111	-27.547	17.96	-21.373	-1.53	8.921	2.669	-3.591	0.392	3.182	-7.481	-0.145	5.521	0.844	-0.051	-4.124	-4.322	3.528	4.227	-2.892	0.033	-1.431	-1.427	2.02	0.324	0.074	-0.596	-2.302	-0.299	1.513	0.811
ZINC00837641	861	38.649	-3.562	1.293	-6.211	-4.028	7.797	-1.067	-1.216	-0.218	0.639	-0.293	-1.591	0.146	1.733	0.634	-0.511	-1.849	0.522	1.777	-0.493	0.588	-1.43	-0.124	1.225	-0.41	-0.293	-0.148	-0.172	0.303	-0.062	-0.282	484.503	29.492	-2.984	-1.281	-5.214	1.263	6.857	-2.301	-2.043	0.796	-0.221	2.349	-2.07	-1.528	2.435	-0.111	0.923	-1.29	-0.264	1.451	-0.44	0.347	-0.781	0.16	0.761	-0.52	-0.448	0.011	-0.083	0.582	-0.429	-0.38	420.869	26.306	-2.652	-0.817	-4.715	0.495	5.523	-1.74	-1.487	0.288	0.471	1.129	-1.721	-0.7	1.738	0.075	0.366	-1.321	0.094	1.315	-0.466	0.21	-0.778	0.224	0.713	-0.506	-0.362	0.009	-0.008	0.381	-0.338	-0.293	918.517	41.148	-3.918	1.525	-6.821	-3.863	8.375	-1.269	-1.303	-0.127	0.466	0.084	-1.791	-0.082	2.033	0.642	-0.351	-1.8	0.358	1.795	-0.412	0.641	-1.43	-0.242	1.238	-0.394	-0.386	-0.133	-0.237	0.376	-0.121	-0.316	419.348	25.566	-2.558	-0.737	-4.42	-0.054	5.209	-1.461	-1.339	0.098	0.719	0.615	-1.563	-0.374	1.488	0.189	0.106	-1.379	0.27	1.31	-0.494	0.184	-0.828	0.257	0.735	-0.5	-0.31	-0.005	0.013	0.306	-0.275	-0.259	1104.655	45.843	-4.48	3.013	-7.765	-5.707	9.264	-1.148	-1.117	-0.343	0.585	-0.567	-1.834	0.281	2.107	0.88	-0.723	-2.041	0.495	2.034	-0.397	0.771	-1.666	-0.388	1.464	-0.363	-0.354	-0.184	-0.261	0.365	-0.071	-0.277	3943.863	150.865	-23.219	6.417	-24.21	-8.416	37.227	-5.818	-8.195	1.892	-4.699	10.227	-8.006	-5.351	11.051	1.419	1.855	-4.831	-0.439	5.582	-0.824	3.199	-4.766	-2.015	3.721	-0.952	-2.877	0.007	-1.77	2.157	-1.469	-1.464
ZINC03815109	2485	75.631	-19.058	18.137	-12.591	-5.035	2.716	3.173	3.254	-1.252	-1.313	-5.345	1.264	4.231	0.022	-0.825	-2.244	-3.04	3.086	3.474	-2.303	0.216	-1.777	-0.484	0.697	0.683	0.512	-0.258	-2.197	0.013	1.866	0.258	527.147	28.043	-6.024	-0.447	-4.648	3.615	2.522	-3.244	-0.72	1.593	0.201	-0.903	-1.952	1.519	1.181	-1.017	-0.91	-0.332	1.52	0.097	-0.966	0.197	0.178	0.083	-0.402	-0.089	0.322	0.159	-0.432	-0.179	0.223	0.182	692.496	32.291	-6.046	2.086	-5.09	1.247	1.883	-1.166	0.097	0.764	0.061	-2.033	-0.809	2.012	0.736	-0.956	-1.02	-0.585	1.665	0.39	-0.961	0.34	-0.296	-0.112	-0.081	0.17	0.335	-0.11	-0.677	-0.046	0.617	0.054	2400.464	76.087	-19.1	16.998	-12.316	-4.497	2.895	2.737	2.712	-1.018	-0.824	-5.432	0.953	4.112	0.29	-0.892	-2.191	-3.037	3.008	3.416	-2.292	0.212	-1.581	-0.547	0.631	0.629	0.471	-0.139	-2.039	-0.121	1.695	0.343	849.332	36.088	-6.594	3.863	-5.705	0.032	1.743	-0.131	0.58	0.371	-0.16	-2.586	-0.24	2.297	0.543	-0.949	-1.162	-0.788	1.837	0.653	-1.032	0.373	-0.589	-0.164	0.097	0.296	0.343	-0.225	-0.88	0.034	0.859	0.005	3304.618	93.728	-26.613	25.524	-15.815	-6.945	3.061	4.032	4.564	-1.831	-1.74	-6.423	1.568	5.097	-0.2	-0.651	-2.587	-4.169	3.463	4.845	-2.911	0.145	-2.08	-0.768	0.767	0.844	0.648	-0.161	-2.709	-0.149	2.181	0.476	4133.652	148.798	-35.956	25.213	-23.405	-4.109	7.536	1.715	1.866	-0.149	0.5	-10.314	-0.479	6.933	2.765	-2.507	-4.315	-5.41	5.398	6.221	-4.291	0.037	-1.952	-1.224	0.878	0.831	0.514	0.33	-3.04	-0.842	2.244	1.101
ZINC03815122	1275	52.274	-8.722	7.303	-8.316	-3.541	4.386	1.636	-0.316	-0.877	0.494	-1.121	-0.45	0.981	1.084	0.026	-0.499	-1.978	0.589	2.879	-0.895	-0.093	-1.202	-0.008	1.058	0.401	-0.223	-0.558	-0.497	-0.101	0.721	-0.009	650.28	31.326	-5.252	0.895	-5.088	0.668	4.592	-1.243	-2.383	1.166	0.303	1.387	-1.722	-0.428	1.277	-0.067	0.307	-0.991	-0.25	1.282	-0.451	-0.089	-0.213	0.051	0.62	0.034	-0.171	-0.57	0.301	0.088	-0.012	-0.296	510.436	27.692	-3.547	0.492	-4.695	-0.027	3.772	-0.834	-1.356	0.307	0.626	0.323	-1.005	-0.193	1.295	-0.008	-0.079	-0.893	0.128	1.159	-0.312	-0.019	-0.54	0.121	0.583	0.042	-0.185	-0.355	0.007	0.077	0.045	-0.166	1288.822	54.271	-9.146	7.013	-8.469	-3.379	4.832	1.449	-0.737	-0.769	0.741	-1.019	-0.574	0.801	1.282	0.014	-0.358	-2.016	0.402	2.993	-0.897	-0.084	-1.135	-0.057	1.046	0.405	-0.263	-0.561	-0.396	-0.121	0.651	-0.022	574.744	28.289	-3.668	1.218	-4.686	-0.667	3.394	-0.206	-1.062	0.193	0.506	-0.059	-0.761	0.136	1.079	-0.006	-0.266	-0.923	0.275	1.248	-0.373	-0.026	-0.639	0.119	0.647	0.096	-0.165	-0.388	-0.078	0.061	0.153	-0.142	1652.581	64.451	-12.363	10.893	-10.17	-4.744	4.951	2.367	-0.11	-1.203	0.504	-1.395	-0.474	1.306	1.13	0.052	-0.397	-2.525	0.536	3.748	-1.179	-0.099	-1.343	-0.129	1.142	0.568	-0.252	-0.634	-0.579	-0.215	0.924	0.071	3158.185	145.739	-21.68	11.379	-23.829	-5.528	18.732	-0.237	-6.758	-0.246	2.36	1.644	-3.395	-1.596	6.054	-0.076	0.986	-5.123	-1.532	8.246	-1.683	-0.268	-2.726	-0.459	3.052	0.815	-1.051	-1.76	0.162	-0.137	0.851	-0.687
ZINC03815147	1176	52.449	-7.697	3.928	-6.843	-3.133	5.298	0.269	-1.479	0.332	0.666	-0.582	-0.471	0.935	1.486	0.207	-0.953	-2.051	0.847	2.321	-0.823	-0.14	-1.281	-0.219	1.546	0.106	0.054	-0.349	-0.529	0.239	0.218	0.175	632.187	31.773	-5.667	1.457	-6.045	2.64	4.25	-1.575	-3.582	1.62	0.645	1.776	-1.644	-0.933	1.767	-0.061	-0.2	-1.001	-0.114	1.31	-0.176	-0.476	-0.314	-0.102	0.821	-0.126	-0.123	-0.197	0.274	0.477	-0.535	-0.153	508.696	30.725	-3.863	0.173	-4.573	0.483	4.22	-1.387	-2.1	0.93	0.7	0.655	-1.2	-0.342	1.621	0.115	-0.322	-1.081	0.29	1.101	-0.374	-0.24	-0.593	0.101	0.809	-0.195	-0.171	0.026	-0.027	0.311	-0.274	-0.033	1179.483	54.471	-8.046	3.69	-7.045	-2.993	5.54	0.064	-1.831	0.476	0.894	-0.462	-0.601	0.782	1.611	0.23	-0.893	-2.038	0.686	2.399	-0.792	-0.171	-1.199	-0.271	1.541	0.12	-0.038	-0.311	-0.483	0.269	0.13	0.169	573.889	31.274	-3.99	0.912	-4.647	-0.041	4.028	-0.832	-1.934	0.792	0.609	0.354	-0.954	-0.067	1.453	0.153	-0.482	-1.134	0.412	1.173	-0.422	-0.203	-0.686	0.072	0.876	-0.134	-0.102	-0.051	-0.068	0.276	-0.181	-0.014	1485.187	63.286	-10.322	5.88	-8.045	-4.28	5.891	0.607	-1.39	0.311	0.754	-0.846	-0.414	1.309	1.502	0.218	-1.039	-2.507	0.903	2.915	-1.011	-0.094	-1.435	-0.418	1.802	0.257	0.081	-0.485	-0.669	0.215	0.328	0.275	2875.523	148.101	-19.417	5.356	-20.869	-3.235	17.936	-3.482	-8.89	2.943	2.71	3.008	-3.579	-0.927	6.098	0.975	-1.364	-5.002	-0.104	6.551	-1.175	-1.167	-2.784	-0.754	4.216	0.121	-0.998	-0.626	-0.605	1.515	-0.739	0.04
ZINC03815178	2485	76.049	-20.737	17.802	-14.978	-1.879	1.841	3.286	2.751	-1.486	0.162	-6.74	1.397	4.789	0.136	-0.797	-2.034	-2.768	3.037	2.956	-2.107	0.18	-0.703	-0.464	0.525	0.641	0.631	-0.524	-1.807	0.013	1.856	0.183	527.147	28.834	-5.751	-0.415	-5.064	4.331	1.831	-3.34	-1.065	1.809	0.55	-1.319	-1.544	1.773	1.292	-1.221	-0.519	-0.323	1.441	-0.055	-1.049	0.117	0.46	-0.037	-0.386	-0.27	0.338	0.077	-0.314	-0.313	0.28	0.139	692.496	32.978	-6.14	1.973	-5.631	2.151	1.467	-1.306	-0.254	0.878	0.523	-2.499	-0.451	2.243	0.844	-1.098	-0.746	-0.554	1.552	0.225	-1	0.242	0.027	-0.2	-0.065	0.108	0.338	-0.223	-0.557	-0.141	0.643	0.04	2400.464	76.451	-20.429	16.702	-14.695	-1.501	2.133	2.866	2.296	-1.227	0.608	-6.791	1.135	4.686	0.416	-0.895	-1.92	-2.727	2.949	2.931	-2.134	0.145	-0.517	-0.523	0.468	0.547	0.618	-0.402	-1.646	-0.124	1.691	0.272	849.332	36.784	-6.91	3.672	-6.427	1.137	1.382	-0.304	0.219	0.434	0.406	-3.119	0.088	2.55	0.653	-1.06	-0.94	-0.753	1.717	0.46	-1.043	0.278	-0.212	-0.243	0.105	0.274	0.344	-0.358	-0.748	-0.056	0.879	0	3304.618	93.739	-28.815	25.2	-19.051	-2.743	1.876	4.414	3.963	-2.22	0.117	-8.283	1.572	5.824	-0.091	-0.584	-2.325	-3.731	3.482	4.162	-2.613	0.137	-0.62	-0.669	0.492	0.741	0.837	-0.468	-2.171	-0.074	2.14	0.344	4133.652	148.669	-36.033	24.786	-28.414	0.758	6.772	1.636	1.57	-0.269	3.176	-12.701	0.332	8.357	3.129	-2.804	-3.292	-4.685	5.356	5.405	-4.309	-0.181	0.066	-1.173	0.677	0.404	1.012	-0.106	-2.317	-0.943	2.332	0.979
ZINC03815155	2850	81.583	-22.437	20.993	-16.401	-1.722	0.859	4.712	2.642	-1.238	-1.155	-7.185	1.584	5.176	-0.161	-0.376	-2.574	-2.228	2.809	3.029	-2.261	0.071	-1.166	-0.299	0.63	0.659	1.135	-0.526	-2.022	-0.191	1.914	0.375	566.097	29.389	-5.68	-0.413	-5.237	4.494	1.887	-3.434	-0.963	1.932	0.383	-1.721	-1.714	2.223	1.02	-1.155	-0.733	-0.363	1.647	-0.349	-0.928	0.187	0.317	0.019	-0.677	-0.154	0.718	-0.043	-0.224	-0.373	0.319	0.332	772.84	34.444	-6.296	2.421	-6.088	2.152	1.454	-1.139	-0.251	0.899	0.34	-2.8	-0.569	2.544	0.639	-1.005	-0.976	-0.543	1.706	0.094	-0.919	0.321	-0.202	-0.101	-0.218	0.172	0.647	-0.328	-0.481	-0.2	0.647	0.175	2729.981	81.444	-21.751	19.554	-16.023	-1.409	1.188	4.191	2.215	-0.95	-0.728	-7.264	1.311	5.157	0.062	-0.471	-2.478	-2.27	2.866	2.912	-2.254	0.1	-0.994	-0.398	0.521	0.613	1.122	-0.377	-1.872	-0.34	1.793	0.473	964.05	38.899	-7.274	4.45	-7.064	1.104	1.305	0.017	0.181	0.417	0.184	-3.399	-0.007	2.797	0.477	-0.945	-1.191	-0.673	1.809	0.416	-0.998	0.342	-0.477	-0.115	0.012	0.306	0.653	-0.469	-0.681	-0.125	0.87	0.118	3802.626	101.507	-31.406	29.472	-20.68	-2.459	0.551	6.327	3.747	-1.743	-1.804	-8.834	1.875	6.338	-0.494	0.003	-3.012	-3.064	3.138	4.281	-2.883	-0.092	-1.148	-0.554	0.709	0.778	1.388	-0.331	-2.566	-0.333	2.207	0.597	4525.015	152.531	-35.373	28.582	-30.949	0.735	4.717	3.714	2.289	0.014	0.448	-13.609	0.769	9.768	2.281	-2.102	-4.566	-3.994	5.716	4.854	-4.17	0.214	-1.166	-0.897	0.387	0.79	2.227	-0.249	-2.724	-1.318	2.76	1.446
ZINC04617805	1953	60.622	-11.583	10.719	-10.431	-3.954	4.145	1.458	0.594	-1.487	0.168	-2.539	-0.023	1.529	1.774	0.111	-1.814	-2.885	1.853	2.723	-1.047	-0.29	-1.664	0.125	1.115	0.32	-0.179	-0.732	-0.812	-0.048	1.062	0.059	639.752	30.994	-4.329	-0.217	-5.979	3.337	4.545	-2.963	-1.845	0.861	0.916	0.421	-1.938	-0.586	2.106	-0.194	-0.423	-1.017	0.425	1.097	-0.432	-0.206	-0.405	0.211	0.462	-0.234	-0.343	0.037	-0.142	0.279	-0.1	-0.061	719.556	31.092	-4.083	1.13	-5.757	1.411	3.562	-1.526	-1.213	0.457	0.737	-0.547	-1.165	0.075	1.699	-0.171	-0.757	-1.186	0.789	1.096	-0.449	-0.177	-0.644	0.24	0.523	-0.121	-0.277	-0.125	-0.261	0.179	0.107	-0.018	1941.45	62.166	-11.87	10.642	-10.464	-3.532	4.62	1.284	0.105	-1.466	0.604	-2.528	-0.297	1.388	1.919	0.083	-1.668	-2.869	1.633	2.833	-1.068	-0.341	-1.564	0.031	1.11	0.338	-0.262	-0.703	-0.707	-0.053	0.964	0.049	810.992	32.461	-4.22	2.018	-5.999	0.427	3.193	-0.866	-0.81	0.227	0.556	-0.995	-0.767	0.386	1.554	-0.142	-0.969	-1.317	1.018	1.15	-0.462	-0.168	-0.814	0.257	0.596	-0.057	-0.236	-0.217	-0.373	0.15	0.259	0.003	2495.985	73.594	-16.195	15.494	-12.231	-5.598	4.582	2.283	1.232	-2.264	0.055	-2.989	0.115	1.954	1.851	0.244	-1.982	-3.605	2.074	3.434	-1.385	-0.287	-1.875	0.016	1.199	0.512	-0.144	-0.927	-0.898	-0.202	1.388	0.079	4364.904	155.832	-25.503	19.157	-27.475	-2.074	17.169	-1.057	-4.522	-2.335	3.497	-2.808	-3.803	0.138	7.116	0.133	-2.322	-6.7	1.503	7.823	-1.946	-1.456	-3.535	-0.251	3.535	0.552	-1.516	-1.37	-0.835	0.632	1.012	-0.181
ZINC04617806	1953	61.023	-11.726	10.98	-10.792	-3.809	4.475	1.297	0.313	-1.428	-0.015	-2.679	-0.285	1.412	1.791	0.156	-1.87	-2.848	1.851	2.9	-1.004	-0.302	-1.658	0.135	1.277	0.411	0.013	-0.758	-0.887	-0.111	0.955	0.125	639.752	31.076	-4.325	-0.232	-5.989	3.376	4.593	-2.973	-1.842	0.914	0.899	0.404	-1.934	-0.61	2.057	-0.189	-0.365	-0.999	0.476	1.063	-0.433	-0.234	-0.402	0.156	0.489	-0.252	-0.322	0.043	-0.18	0.233	-0.116	-0.051	719.556	31.209	-4.131	1.117	-5.817	1.44	3.645	-1.557	-1.275	0.493	0.693	-0.564	-1.207	0.036	1.667	-0.154	-0.712	-1.165	0.834	1.11	-0.434	-0.205	-0.644	0.221	0.571	-0.115	-0.226	-0.113	-0.329	0.136	0.078	0.009	1941.45	62.546	-11.996	10.875	-10.816	-3.416	4.949	1.121	-0.145	-1.409	0.451	-2.647	-0.544	1.262	1.951	0.12	-1.721	-2.816	1.637	2.978	-1.022	-0.344	-1.564	0.031	1.264	0.415	-0.087	-0.707	-0.766	-0.128	0.845	0.11	810.992	32.607	-4.297	2.019	-6.093	0.463	3.301	-0.91	-0.913	0.258	0.488	-1.021	-0.839	0.336	1.526	-0.119	-0.931	-1.298	1.059	1.197	-0.441	-0.2	-0.812	0.255	0.657	-0.037	-0.163	-0.21	-0.459	0.105	0.227	0.041	2495.985	74.116	-16.347	15.9	-12.718	-5.378	5.008	2.072	0.893	-2.183	-0.17	-3.192	-0.223	1.818	1.892	0.289	-2.092	-3.551	2.045	3.666	-1.337	-0.29	-1.867	0.015	1.418	0.633	0.091	-0.971	-0.949	-0.258	1.237	0.152	4364.904	156.478	-25.709	19.357	-28.06	-1.962	17.817	-1.388	-4.851	-2.169	3.249	-2.917	-4.197	-0.11	7.178	0.189	-2.33	-6.549	1.608	7.885	-1.776	-1.393	-3.589	-0.321	3.831	0.57	-1.21	-1.247	-0.998	0.368	0.737	-0.051
ZINC04617807	1953	51.538	-9.571	5.72	-9.981	-4.919	3.847	1.715	0.695	-0.582	0.016	-2.136	-0.217	1.609	1.984	-0.129	-1.753	-3.007	2.157	2.6	-0.52	-0.387	-1.393	-0.142	1.371	0.267	0.04	-0.673	-0.743	-0.064	0.819	0.276	639.752	28.881	-5.03	-1.149	-5.981	2.369	4.107	-3.136	-1.637	1.384	0.889	0.601	-1.836	-0.726	2.239	-0.322	-0.117	-1.163	0.505	1.094	-0.239	-0.143	-0.319	0.166	0.705	-0.379	-0.332	0.15	-0.072	0.306	-0.228	-0.023	719.556	27.632	-4.136	-0.206	-5.791	0.506	3.365	-1.69	-0.999	0.839	0.74	-0.31	-1.129	0.027	1.811	-0.243	-0.531	-1.264	0.921	1.138	-0.228	-0.13	-0.567	0.136	0.701	-0.227	-0.223	0.006	-0.199	0.214	0.015	0.018	1941.45	54.065	-10.371	5.579	-10.017	-4.59	4.291	1.493	0.261	-0.562	0.481	-2.142	-0.489	1.381	2.133	-0.19	-1.57	-2.994	1.906	2.686	-0.542	-0.417	-1.302	-0.219	1.398	0.276	-0.051	-0.615	-0.635	-0.073	0.707	0.265	810.992	28.105	-3.848	0.402	-6.015	-0.456	3.087	-0.994	-0.606	0.597	0.558	-0.726	-0.755	0.39	1.665	-0.191	-0.783	-1.373	1.177	1.207	-0.218	-0.134	-0.726	0.127	0.749	-0.152	-0.154	-0.092	-0.317	0.179	0.174	0.052	2495.985	62.349	-13.454	8.905	-11.677	-6.598	4.105	2.731	1.225	-1.051	-0.149	-2.573	-0.202	2.046	2.118	-0.103	-1.944	-3.778	2.485	3.198	-0.714	-0.465	-1.534	-0.304	1.509	0.507	0.121	-0.918	-0.824	-0.221	1.04	0.373	4364.904	142.381	-25.827	7.682	-26.346	-5.569	15.586	-1.112	-3.447	-0.305	3.26	-2.087	-4.017	-0.225	7.815	-0.772	-1.483	-7.106	1.733	7.491	-0.721	-1.221	-2.887	-0.692	4.568	0.107	-1.164	-0.853	-0.677	0.506	0.244	0.238
ZINC03815325	1953	51.325	-9.592	6.312	-9.991	-4.613	3.839	1.7	0.394	-0.875	-0.043	-1.954	-0.053	1.469	1.689	-0.091	-1.879	-3.096	2.04	2.565	-0.913	-0.542	-1.365	-0.078	1.194	0.234	-0.02	-0.705	-0.801	0.03	0.804	0.183	639.752	28.956	-5.066	-1.083	-5.923	2.384	4.095	-3.22	-1.723	1.29	0.825	0.663	-1.815	-0.859	2.275	-0.31	-0.15	-1.174	0.416	1.266	-0.462	-0.196	-0.301	0.213	0.69	-0.363	-0.323	0.074	-0.011	0.321	-0.225	-0.093	719.556	27.648	-4.163	-0.055	-5.751	0.569	3.389	-1.769	-1.085	0.753	0.675	-0.246	-1.11	-0.11	1.8	-0.264	-0.565	-1.3	0.819	1.268	-0.445	-0.173	-0.535	0.187	0.699	-0.226	-0.205	-0.05	-0.17	0.215	0.019	-0.031	1941.45	53.904	-10.395	6.125	-10.016	-4.29	4.255	1.462	-0.065	-0.858	0.411	-1.978	-0.318	1.261	1.869	-0.135	-1.674	-3.08	1.792	2.695	-0.952	-0.563	-1.274	-0.161	1.223	0.239	-0.103	-0.664	-0.684	0.02	0.701	0.175	810.992	28.079	-3.87	0.614	-5.985	-0.367	3.131	-1.068	-0.697	0.5	0.493	-0.651	-0.734	0.249	1.618	-0.223	-0.828	-1.422	1.07	1.306	-0.442	-0.183	-0.689	0.18	0.743	-0.156	-0.135	-0.136	-0.303	0.181	0.177	0.008	2495.985	62.063	-13.48	9.662	-11.689	-6.193	4.039	2.746	0.817	-1.426	-0.188	-2.341	0.033	1.912	1.707	-0.016	-2.101	-3.878	2.376	3.102	-1.167	-0.659	-1.535	-0.23	1.25	0.457	0.015	-0.951	-0.914	-0.092	1.013	0.248	4364.904	142.349	-25.91	8.546	-26.151	-5.096	15.408	-1.331	-4.27	-1.125	2.954	-1.743	-3.659	-0.507	7.475	-0.492	-1.594	-7.331	1.473	7.987	-1.916	-1.596	-2.817	-0.598	4.191	0.026	-1.216	-1.13	-0.672	0.765	0.306	0.013