Compound Id	KierHallSmarts [khs.dssC]
26325084	0
26325083	0
18019	0
8521	0
26325082	0
10449	0
61149	0
2056044	0
26325081	0
26824	0
8520	0
10451	0
2041618	0
6191	0
26325080	0
76894	0
16425	0
6153	0
10784857	0
38403	0
14021447	0
9256	0
23101	0
10675065	0
10652594	0
10696	0
62827	0
11434292	0
21106179	0
122090	0
11557190	0
9095782	0
12577	0
9286	0
61346	0
6190	0
6270	0
9484	0
6105	0
16841	0
4927801	0
109705	0
9088156	0
56144	0
23150	0
108106	0
78828	0
6128	0
10452	0
10606755	0
3631	0
69569	0
15413	0
66656	0
9411	1
454209	0
10733068	0
17619	0
13837650	0
13853215	0
9392	0
66567	0
18971812	0
66655	0
68328	0
13299573	0
56117	0
12161	0
107412	0
67414	0
13803	0
14441700	0
10756390	0
68224	0
61213	0
9254	0
9016	0
73583	0
14998	0
2018165	0
6148	0
69914	0
11671339	0
29040	0
67991	0
454215	0
62826	0
7626	0
59573	0
6156	0
10106	0
10801109	0
512621	0
12933	0
11996	0
13835836	0
9633	0
15789876	5
18688	1
12586	0
71433	0
68503	0
937	0
692	0
23208	0
291	0
274	0
6084	0
6132	0
7956	0
6094	0
11749	0
7555	0
6120	0
7712	0
6308	0
9646	0
10781	0
15802	0
17976	0
7767	0
7604	0
7010	0
6163	0
6340	0
7671	1
9377	0
8560	0
11094	0
11023	0
11055	0
10786	0
7619	0
10755	0
11551	0
349	0
11035	0
11104	0
10795	0
10445	0
8569	0
11841	0
7073	1
123860	0
7849	0
17558	0
13439	0
13402	0
6287	0
10227261	4
14840	0
13448	0
12220	0
13619	0
7890	0
11882	0
11883	0
10540	0
7929	0
11897	0
11899	0
12017	0
12072	0
11900	0
11901	0
11146	0
11902	0
10542	0
11906	0
7823	0
13835376	0
55130	1
6188	0
127750	0
14299946	0
30713	0
14694	0
99596	0
11849	0
7757	1
21106169	0
20545	1
10441	0
14672	0
7511	1
10446	1
7657	1
22453	1
6151	0
7509	1
7872	1
10433	1
55084	1
7875	1
2062437	0
7065	1
11992	1
7913	1
10325078	0
92731	0
14256731	3
3168	0
11153	0
29005	1
7472	1
11207996	1
7694	1
11833	0
16388	2
455420	0
62249	1
10420	1
9243	0
55188	0
7482	1
11716	1
29016	1
7670	1
7340	0
7747	1
7624	0
7627	1
8568	1
14846	1
11045	1
11228	0
10709	0
109838	0
7478	1
10765	0
13849665	3
7800	1
11148	0
11843	1
923	0
7475	1
12201	0
7515	1
29012	1
10797	1
11109	0
7538	1
7536	1
12972	1
61266	0
24142	0
14829	0
23055	0
13622	0
7463	1
10571	1
16180	0
13836549	0
7891	0
12446	1
55123	0
10614293	0
29025	0
11755	0
12635	0
7706	1
7761	0
11121	0
7713	0
12809	0
11230	0
7833	0
10492	0
13837190	0
13839109	1
7556	0
12012	0
8158	0
66675	0
7871	1
3441	0
7954	0
9976	1
21153	1
14688	0
9391	0
8525	1
7514	1
11680	1
6176	1
6085	0
63631	0
13865630	2
7856	0
11706	1
7802	1
12218	1
56232	0
3973	0
6130	0
7534	1
10788	1
7621	1
10101	0
28986	1
13839575	0
12632	1
13836589	0
83734	0
9253	0
215929	1
10791	1
555074	0
7957	1
11125	0
7760	1
4516601	0
8562	0
2863	1
56442	0
4483639	0
11919	0
10653	1
8329688	0
7782	0
4516599	0
16387	0
10777	1
4512361	0
11095	1
11025	1
26325086	0
21106173	0
13835706	3
441	0
2282428	0
9251	0
13850879	3
217	0
1114	0
7838	0
15486	0
56559	0
11898	0
4483638	0
6335	1
4449912	0
11526	1
6311	0
10054	0
7081	0
7607	1
7074	2
12456	0
72522	0
6313	0
7817	0
4512642	0
7928	0
7734	0
5949	0
62632	0
14348	0
7803	1
7076	2
78998	0
17880	0
370	1
29029	0
11884	0
2581	0
16177	0
7730	0
13866746	0
7016	1
15853	0
11864	0
9053802	0
21106586	2
67360	0
63863	0
11891	0
7732	0
18920	0
10113	1
11866	0
15846	0
11845	0
15954	0
11819	0
7566	0
29026	0
7772	0
11739	0
7917	0
6321	1
12209	0
11846	0
7622	0
11861	0
15016	0
11056	0
7915	0
23255	0
10787	0
123993	0
55090	0
11806	0
7630	2
8552	1
68179	0
7901	0
6121	0
7770	0
7558	0
11036	0
10001	1
7064	1
175	1
6146	0
6649	1
11029	0
6123	0
7892	0
8576	0
6095	0
9461	0
14692	0
11099	0
11193	1
256	0
11794	0
7851	0
15387	0
8012	1
7717	0
11732	0
10511	0
654	0
6315	0
6086	0
99440	0
11194	0
455353	0
11110	0
13848341	2
10265264	0
7850	0
7882	0
7577	0
29000	0
8574	0
11239	0
6165	0
11865	0
21011	0
4366810	1
512	0
11793	0
7811	0
7835	0
11216	0
13862665	1
932	0
22814	0
6341	1
11678	0
11543	0
62230	0
7533	0
13836399	0
10526	0
10422	1
12069	0
59483	0
13255	0
10179173	0
7701	1
6149	0
10790	0
71430	0
120464	0
172	0
11180	0
13865426	2
7434	0
259	1
7714	0
10512	0
7812	0
7769	0
7459	0
11024	0
7837	0
3644	0
16778	0
7705	0
191367	0
748	0
5091	1
10437	0
387	0
6312	0
6320	0
10947	0
6040	0
8398	0
960	1
6164	0
18410	0
7546	0
11756	0
7616	1
258	0
7716	0
7564	0
7024	0
7090	0
15438	0
11699	1
16791	0
6097	0
11799	0
6187	0
21800	0
18717	0
13837797	0
16641	0
10205670	1
12442	0
6186	0
60329	0
7790	0
1005	1
11210	0
6101	0
1004	0
2340753	0
10325184	0
24590970	0
11695	1
6102	0
13836591	0
7028	0
7615	0
13884973	0
7674	0
6406	2
682	0
13874867	2
10710415	1
6089	0
6087	0
6098	0
7733	0
9990	0
11727	0
7600	0
8896	0
7466	1
14751	0
1609	0
171	1
7727	0
71628	0
22408	0
7728	0
6338	0
13811	1
13871489	2
864	0
220998	0
221117	0
15765	0
11647	1
7506	1
7737	0
5439	1
7003	2
6322	1
13867413	1
553171	2
11525	0
8554	0
13571291	0
12066	0
7703	0
11265	0
12954	0
13229	0
59577	1
10053	0
10018	0
7787	0
26765	1
192642	1
11788	0
63156	0
122446	1
21181	1
26325090	0
13836520	0
6135	0
6309	1
12626	0
11632	0
9994	0
7636	1
13854944	0
7557	0
6125	0
120621	1
4449	0
55205	1
12445	1
14169248	0
7964	0
6193	0
62597	0
7559	0
7677	0
12197	0
13836674	0
11761	0
29015	0
9642	0
156255	0
20119	1
6118	0
363458	0
7684	0
71390	0
8544	0
12219	0
6307	0
7848	0
13816	1
15077490	0
19956441	0
12637	0
13872989	0
11752	1
8577	0
278	0
61487	0
11863	0
5708	0
10536	0
14349	0
7810	0
391	0
13835977	0
6334	1
592	1
13871721	0
374462	0
558883	0
56020	0
8908	0
376	2
10025	2
5004	2
2275	1
4446445	0
10124	2
7852	0
3951	2
7530	0
7766	0
6333	1
14680	0
7827	0
4514529	0
13835316	1
7711	0
12499	0
19953955	0
21109330	0
13638	0
72056	0
10948	0
7815	0
71312	0
2293678	0
2018460	0
29107	1
21169510	1
7552	0
5993	0
13835293	0
62589	0
7738	0
7686	0
7480	1
7776	0
127983	0
1087	0
6092	0
6042	0
6316	0
8878	0
34095	0
7568	0
10340	0
4444608	0
10939	1
11107	1
13835224	0
8141	1
9233	0
23621376	0
21111806	0
69371	0
66565	0
18685	0
15443	0
844	2
18607	0
11930	1
62628	0
67653	0
7030	1
11875	0
7721	0
2656	0
21108550	0
7560	0
13839416	0
13836021	0
13835861	0
7029	1
394562	0
10498	0
13839441	0
21112738	0
6104	0
4481813	0
60524	1
11729	0
9325	0
11694	1
11086	1
13849981	1
6103	0
5894	0
13835209	0
7788	0
13839553	0
6083	0
6314	1
61707	1
63054	0
4510484	1
15803	0
26563	0
70660	2
7679	1
13835235	0
1039	0
10772140	1
28994	0
4937830	0
29008	0
11809	0
8543	0
6111	0
68832	2
13842001	0
22191	2
75951	2
72793	2
72551	2
24641	2
11632871	0
33416	0
29001	2
21106032	0
8909	0
11857	0
7330	0
69982	0
21106015	0
552744	1
10464	1
61191	0
61001	1
8912	0
7791	0
13866593	0
7098	0
7026	0
553742	0
5977	0
13837702	0
13837537	0
9724	0
18801	0
59674	0
558928	0
6330	1
11244	1
7021	1
11795	1
10488	1
13647	0
6402	1
68156	0
71876	2
415	0
10487	0
763	0
13835336	0
24099	0
173	1
5730	0
7678	0
553642	0
13861343	0
13835550	0
8733	0
48024	0
10265270	0
693	0
124968	0
62808	0
8910	0
9614	0
60886	0
28993	2
17131	0
13875283	0
9363	0
13849989	2
11351244	2
558020	0
7553	0
20939	2
518	N/A
6326	0
20198	2
1143	1
61111	0
4444456	0
2441	1
6296	2
391428	1
733	0
9970	0
8960	0
11117	0
191	2
13837280	1
659	0
1078	2
13835604	0
10772050	1
14198	1
71787	2
7528	0
6827	0
499714	1
7018	0
11911	0
6093	0
13836713	0
21106535	0
7013	0
59447	0
10179239	0
86007	4
390927	1
10756	1
7961	0
12643	0
19231	0
13835630	0
13835459	0
9581	0
13875196	0
73412	0
13492	0
15747	0
7236	1
10410	0
1348	0
558878	2
5978	0
13487	0
6119	0
10404	0
13839199	0
9228	0
71089	0
6342	0
9574	1
83866	0
83850	0
9454	1
7419	0
1108	0
7128	0
8356	0
62530	0
7385	0
7170	0
8903	0
13842613	0
16159	1
7183	0
236	0
553578	2
7736	0
7242	0
7219	0
7521	0
7672	0
12010	0
24533	0
789	3
7088	0
1019	0
13835932	0
65750	0
15461	0
11830	0
6122	0
1095	0
7641	0
63903	0
10497	0
8904	0
7688	0
13874733	0
10437135	0
11660	0
1020	0
21106520	0
18724	0
11042	0
31029	0
21106560	0
21132380	0
8531	0
15855	3
6100	0
13837281	2
21105905	0
66809	0
7448	0
6179	0
7659	0
24535	0
15702	1
25552	0
11871	0
15409	1
20843	0
10940	0
10251740	1
11077	0
24972	0
9326	0
13885245	1
6524	2
28969	1
6967	0
8900	0
12229	0
9360	0
10253	0
8902	0
9350	0
7786	0
6999	0
15965	1
6088	0
10937	0
21106036	0
6977	0
10364	0
62489	0
10384035	0
11409	0
8243	2
7391	0
21108577	1
13257	0
70682	0
4228778	0
13658	0
28992	0
6528	2
7739	0
21168808	0
8335	0
8374	1
21111820	0
6897	1
13863629	0
12228	0
21112023	1
6665	0
247721	1
10437215	0
11731	0
13865438	0
120489	0
2039535	0
13837319	2
7278	1
13875160	0
8899	0
7238	0
21106135	0
773	0
2916	0
12225	0
10197150	2
55091	1
26325085	0
26325087	0
26325088	0
11862	0
8241	2
3210	3
8950	0
7676	0
66996	0
10437074	0
66896	1
30595	1
7710	0
7809	0
63908	0
221226	0
21105959	0
66021	0
17443	0
84971	0
388391	0
10236	0
13837303	2
13648	1
2849146	1
222538	1
73390	1
10437335	1
11576	1
11589	1
7175	1
79969	1
11784	0
7765	0
6883	1
7241	0
13875230	0
7689	0
2038738	0
11785	0
9218	1
7224	0
11600	0
7551	0
558875	0
21106366	1
78	0
7225	0
10181339	1
13839308	0
65523	1
7157	1
2937774	1
502855	2
14556	1
30572	2
58234	0
67460	0
9349	0
8883	0
65936	0
13875281	0
4445317	2
10534	0
6898	2
13644	1
12061	0
29036	0
199342	0
66895	1
62534	0
62408	0
13837329	2
4489	2
15495	1
66887	1
7389	0
9893	1
63518	1
12060	0
62310	1
7420	0
13856009	1
59482	1
12816	0
14678	0
21171407	0
7984	0
28982	0
206561	1
19709	0
21168831	0
21105897	1
13860335	0
6881	1
55443	0
453675	0
971	0
9579	1
21105878	0
21168813	1
60121	0
15427	0
1141	2
63310	2
11021	0
305	3
13846663	0
79280	0
21106091	0
13876539	0
5830	0
69340	0
63889	0
2606	0
10992	0
8674	0
9943	0
7132	1
235	0
13839082	0
13839110	0
13840690	0
13871718	0
21105871	0
21105998	0
7131	0
13856352	0
13866817	0
24722	0
7221	0
7223	0
9903	0
13839105	0
10246	0
18336	1
14866	0
466305	1
13865680	0
11604	0
13634	0
76394	0
440	0
28682	1
447	0
11667	0
13835772	0
6774	0
21168826	0
8071	1
13839128	0
194092	1
27296	0
28973	0
8186	1
13839123	0
11154	0
5979	0
7240	0
13857694	0
7220	0
7745	2
13839151	0
64699	0
12259	0
62517	0
13848467	0
13848808	1
9911	0
72556	0
15753	1
67465	1
7129	1
13837686	0
13839174	0
61538	0
12244	0
10248	0
61411	0
69177	0
13865424	0
917	0
7248	0
21106144	0
21106524	0
13863774	0
11651	0
16119	0
11610	1
11332993	1
10243171	1
10801842	1
11661	0
7138	0
12674	0
13837988	0
6775	0
11672	0
21106146	0
6108	0
21106008	0
8657	0
13875258	0
70715	0
70714	0
11596	1
10244	0
70988	1
86435	1
65785	1
70652	1
7673	0
6745	1
3544	1
8868	0
8097	0
11773	0
13875392	0
6916	1
21105859	0
13630	0
7443	0
8665	0
6633	0
16804	0
7406	1
6907	1
10892	1
10181338	1
299166	1
136966	0
120548	0
73479	0
11783	0
4611	1
13846749	1
13875432	0
12823	0
7176	1
221082	0
12231	1
21106519	0
13875219	0
8935	0
4514586	0
10181341	1
21106018	0
13835344	1
7685	0
238	1
21159695	0
13853758	0
13835151	0
13875320	0
14227	1
5709	1
12821	0
913	1
8070	1
7140	1
7190	1
7310	1
21106140	0
12478	0
1266393	1
455090	0
503239	0
10991	0
191058	2
10986	2
57726	0
21106525	0
13860692	0
13876103	0
7234	0
6621	1
9564	0
21111822	0
13869462	0
10254	1
11460	1
7397	1
6642	0
11465	1
11422	1
3918	1
6794	0
21106014	0
5889	0
13835126	1
21111781	0
924	0
10857	0
8140	0
65	0
13860491	0
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