smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	ZINC000216743705	568466654	/nfs/dbraw/zinc/46/66/54/568466654.db2.gz	NCCOGAQKWVPBBN-OAQYLSRUSA-N	0	0	413.315	4.779	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)/C(=C/c1ccco1)c1ccccc1	ZINC000218108534	568475128	/nfs/dbraw/zinc/47/51/28/568475128.db2.gz	WGTPYHJFVKCSHW-NBVRZTHBSA-N	0	0	405.479	4.980	40	70		HJIBRN
O=C(NCc1nc(-c2ccc(Cl)cc2)no1)/C(=C/c1ccco1)c1ccccc1	ZINC000218107343	568475154	/nfs/dbraw/zinc/47/51/54/568475154.db2.gz	IQSVTNFVTOMAES-CPNJWEJPSA-N	0	0	405.841	4.840	40	70		HJIBRN
COc1ccc(OC[C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1	ZINC000218153650	568475953	/nfs/dbraw/zinc/47/59/53/568475953.db2.gz	NRGNGPOVMZWWSC-CYBMUJFWSA-N	0	0	414.354	4.819	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CSCc3c(F)cccc3Cl)n2)cc1	ZINC000218205475	568476362	/nfs/dbraw/zinc/47/63/62/568476362.db2.gz	LOBQYWJDEWTAJU-UHFFFAOYSA-N	0	0	419.909	4.729	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CSCc3c(F)cccc3Cl)n2)c1	ZINC000218205384	568476399	/nfs/dbraw/zinc/47/63/99/568476399.db2.gz	RIJPTRFVUVQGEL-UHFFFAOYSA-N	0	0	419.909	4.729	40	70		HJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1	ZINC000218583511	568481974	/nfs/dbraw/zinc/48/19/74/568481974.db2.gz	DXWAKXYGZHKQOV-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C	ZINC000218574194	568482007	/nfs/dbraw/zinc/48/20/07/568482007.db2.gz	HQYZUXCXHYYYAB-QHCPKHFHSA-N	0	0	422.550	4.985	40	70		HJIBRN
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccccc3Br)c2)cc1	ZINC000216744859	568466591	/nfs/dbraw/zinc/46/65/91/568466591.db2.gz	WFRNYGCFSDQGGW-NRFANRHFSA-N	0	0	413.315	4.779	40	70		HJIBRN
COc1ccc(CN2CCO[C@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	ZINC000216743970	568466598	/nfs/dbraw/zinc/46/65/98/568466598.db2.gz	KSQCRSUFVWQEPK-NRFANRHFSA-N	0	0	413.315	4.779	40	70		HJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(I)cc1	ZINC000218213951	568476507	/nfs/dbraw/zinc/47/65/07/568476507.db2.gz	FHUXMXBECOYZOH-INIZCTEOSA-N	0	0	421.278	4.632	40	70		HJIBRN
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218470853	568480706	/nfs/dbraw/zinc/48/07/06/568480706.db2.gz	UCABOYBCTHBMQP-HNNXBMFYSA-N	0	0	408.951	4.565	40	70		HJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3cc(C)ccc3C)c2)cc1	ZINC000218575084	568481985	/nfs/dbraw/zinc/48/19/85/568481985.db2.gz	VFELWSOKAPDDTE-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1	ZINC000218591476	568482253	/nfs/dbraw/zinc/48/22/53/568482253.db2.gz	PHJWYQZWXULXDT-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1cccc(Cl)c1	ZINC000218040539	568474826	/nfs/dbraw/zinc/47/48/26/568474826.db2.gz	JPAPVWYNONSRLT-UHFFFAOYSA-N	0	0	422.337	4.935	40	70		HJIBRN
CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(OC)c(OC)c1	ZINC000218204627	568476359	/nfs/dbraw/zinc/47/63/59/568476359.db2.gz	DVLKJIPUMHBCKJ-QGZVFWFLSA-N	0	0	411.926	4.997	40	70		HJIBRN
O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000218527211	568481459	/nfs/dbraw/zinc/48/14/59/568481459.db2.gz	CHIGTANVXVCFTK-UHFFFAOYSA-N	0	0	424.994	4.525	40	70		HJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)c1	ZINC000218591537	568482266	/nfs/dbraw/zinc/48/22/66/568482266.db2.gz	PHJWYQZWXULXDT-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C	ZINC000218602768	568482354	/nfs/dbraw/zinc/48/23/54/568482354.db2.gz	JKESILWPSRBJRP-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
O=C(CSCc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218046080	568474803	/nfs/dbraw/zinc/47/48/03/568474803.db2.gz	VIJKPRQRURESLY-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Cl)cc1	ZINC000218046997	568474815	/nfs/dbraw/zinc/47/48/15/568474815.db2.gz	WOBVUSNJFVTUTI-UHFFFAOYSA-N	0	0	407.948	4.733	40	70		HJIBRN
O=C(CSCc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1	ZINC000218045981	568474862	/nfs/dbraw/zinc/47/48/62/568474862.db2.gz	DGHDOFUARFLUOP-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218145682	568475796	/nfs/dbraw/zinc/47/57/96/568475796.db2.gz	RWHRXKBPIWDBTP-CQSZACIVSA-N	0	0	401.919	4.838	40	70		HJIBRN
Cc1ccccc1OC[C@H](C)NC(=O)CSCc1ccc(Br)cc1	ZINC000218197232	568476298	/nfs/dbraw/zinc/47/62/98/568476298.db2.gz	RXDQJECCKRNZRB-HNNXBMFYSA-N	0	0	408.361	4.574	40	70		HJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN1c2cccc3cccc(c23)C1=O	ZINC000218318832	568478334	/nfs/dbraw/zinc/47/83/34/568478334.db2.gz	CXFMXQVZBDOWDN-LJQANCHMSA-N	0	0	400.478	4.527	40	70		HJIBRN
COc1ccc(CN2CCO[C@H]2c2ccn(-c3cccc(Br)c3)c2)cc1	ZINC000216743745	568466605	/nfs/dbraw/zinc/46/66/05/568466605.db2.gz	NCCOGAQKWVPBBN-NRFANRHFSA-N	0	0	413.315	4.779	40	70		HJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1Cl	ZINC000217837292	568474116	/nfs/dbraw/zinc/47/41/16/568474116.db2.gz	CIYQRPAOXXVPJC-INIZCTEOSA-N	0	0	410.297	4.799	40	70		HJIBRN
Cc1ccccc1CSCC(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218019796	568474600	/nfs/dbraw/zinc/47/46/00/568474600.db2.gz	FPWKKLLDFBPIST-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1	ZINC000218197437	568476323	/nfs/dbraw/zinc/47/63/23/568476323.db2.gz	HOEXAVGYUFPZAB-HNNXBMFYSA-N	0	0	408.361	4.574	40	70		HJIBRN
CC[C@@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(S(C)(=O)=O)cc1	ZINC000218500554	568481152	/nfs/dbraw/zinc/48/11/52/568481152.db2.gz	ZRBPHBOSGZLHOH-HXUWFJFHSA-N	0	0	407.491	4.871	40	70		HJIBRN
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218670843	568482859	/nfs/dbraw/zinc/48/28/59/568482859.db2.gz	HCPPHCYICRRAJX-CQSZACIVSA-N	0	0	413.905	4.771	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1	ZINC000218717934	568483057	/nfs/dbraw/zinc/48/30/57/568483057.db2.gz	HLYHDJBPCQDPAO-INIZCTEOSA-N	0	0	413.905	4.741	40	70		HJIBRN
COc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)O2	ZINC000217837170	568474068	/nfs/dbraw/zinc/47/40/68/568474068.db2.gz	LSWZQTVMIPBORQ-MRXNPFEDSA-N	0	0	410.297	4.799	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)c1	ZINC000217955744	568474285	/nfs/dbraw/zinc/47/42/85/568474285.db2.gz	OSSJLUVITFROOM-SDNWHVSQSA-N	0	0	405.498	4.715	40	70		HJIBRN
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSc1ccc(Cl)cc1	ZINC000217984955	568474439	/nfs/dbraw/zinc/47/44/39/568474439.db2.gz	PEGSEVWCQCLLEC-UHFFFAOYSA-N	0	0	408.310	4.794	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)c1	ZINC000218039979	568474801	/nfs/dbraw/zinc/47/48/01/568474801.db2.gz	WGEQSLLPVHPMEL-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
COc1cc(CNC(=O)CSCc2c(F)cccc2Cl)ccc1OC(C)C	ZINC000218200469	568476290	/nfs/dbraw/zinc/47/62/90/568476290.db2.gz	QDBSFTZNUNNZMK-UHFFFAOYSA-N	0	0	411.926	4.825	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C	ZINC000218573757	568482039	/nfs/dbraw/zinc/48/20/39/568482039.db2.gz	OIXVUFRKJUEXLT-GOSISDBHSA-N	0	0	408.523	4.595	40	70		HJIBRN
CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000217908658	568474181	/nfs/dbraw/zinc/47/41/81/568474181.db2.gz	HDAVVZWZITUYEU-DBEXCURXSA-N	0	0	412.338	4.678	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)cc1	ZINC000217995204	568474426	/nfs/dbraw/zinc/47/44/26/568474426.db2.gz	FXOIHODJRITMAN-CQSZACIVSA-N	0	0	401.919	4.838	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C	ZINC000218584808	568481980	/nfs/dbraw/zinc/48/19/80/568481980.db2.gz	DYKNKZOINRPZNT-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
CCOc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC	ZINC000218708772	568482962	/nfs/dbraw/zinc/48/29/62/568482962.db2.gz	URDQDNLFZXKRAM-MRXNPFEDSA-N	0	0	405.922	4.838	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Sc1ccc(Cl)cc1	ZINC000217996140	568474537	/nfs/dbraw/zinc/47/45/37/568474537.db2.gz	HBUFKYXKXGGCSB-GFCCVEGCSA-N	0	0	407.948	4.981	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)cc1	ZINC000218033326	568474780	/nfs/dbraw/zinc/47/47/80/568474780.db2.gz	HDOQXHAZSUAGFL-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccc(Cl)cc1	ZINC000218046780	568474928	/nfs/dbraw/zinc/47/49/28/568474928.db2.gz	VSRICIYDEFSNTK-UHFFFAOYSA-N	0	0	422.337	4.935	40	70		HJIBRN
O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2cccs2)no1	ZINC000218157382	568475847	/nfs/dbraw/zinc/47/58/47/568475847.db2.gz	OJABCTUNIXYUIJ-UHFFFAOYSA-N	0	0	414.339	4.655	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C	ZINC000218304393	568478153	/nfs/dbraw/zinc/47/81/53/568478153.db2.gz	DXZXTYRFKJBPDH-IBGZPJMESA-N	0	0	422.550	4.620	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C	ZINC000218592628	568482273	/nfs/dbraw/zinc/48/22/73/568482273.db2.gz	PXYWUILVSNPNEF-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218670913	568482838	/nfs/dbraw/zinc/48/28/38/568482838.db2.gz	HCPPHCYICRRAJX-AWEZNQCLSA-N	0	0	413.905	4.771	40	70		HJIBRN
Cc1cc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc(C)c1Cl	ZINC000218719358	568483137	/nfs/dbraw/zinc/48/31/37/568483137.db2.gz	JBMRDTHOXUQWDP-SFHVURJKSA-N	0	0	400.950	4.683	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)cc1	ZINC000217995295	568474428	/nfs/dbraw/zinc/47/44/28/568474428.db2.gz	FXOIHODJRITMAN-AWEZNQCLSA-N	0	0	401.919	4.838	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)cc1	ZINC000218091507	568475189	/nfs/dbraw/zinc/47/51/89/568475189.db2.gz	IHHHTAPUZNNBGD-UHFFFAOYSA-N	0	0	401.919	4.839	40	70		HJIBRN
COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)c2ccccc2)c(OC)c1OC	ZINC000218186097	568476121	/nfs/dbraw/zinc/47/61/21/568476121.db2.gz	REGIFYHIYFNYFB-JQIJEIRASA-N	0	0	417.461	4.595	40	70		HJIBRN
CC(C)c1ccc(CCCNC(=O)c2ccccc2I)cc1	ZINC000218219166	568476483	/nfs/dbraw/zinc/47/64/83/568476483.db2.gz	QWABXANXHVMCSX-UHFFFAOYSA-N	0	0	407.295	4.777	40	70		HJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1I	ZINC000218217460	568476510	/nfs/dbraw/zinc/47/65/10/568476510.db2.gz	VEYGQLMKOJVZSA-INIZCTEOSA-N	0	0	421.278	4.632	40	70		HJIBRN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)cc2)cc1	ZINC000218408987	568479966	/nfs/dbraw/zinc/47/99/66/568479966.db2.gz	BIXVMPFAVGHAGR-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1	ZINC000218574048	568481978	/nfs/dbraw/zinc/48/19/78/568481978.db2.gz	VGDNYIVBHTXODM-QHCPKHFHSA-N	0	0	422.550	4.985	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1C	ZINC000218653068	568482738	/nfs/dbraw/zinc/48/27/38/568482738.db2.gz	PPHWWZGADOVPSQ-SFHVURJKSA-N	0	0	422.550	4.623	40	70		HJIBRN
Cc1ccc(-c2noc(CNC(=O)CSCc3c(Cl)cccc3Cl)n2)cc1	ZINC000218156999	568475874	/nfs/dbraw/zinc/47/58/74/568475874.db2.gz	CDMLVELMIVSXLB-UHFFFAOYSA-N	0	0	422.337	4.901	40	70		HJIBRN
CCOc1ccc(CNC(=O)CSCc2c(F)cccc2Cl)cc1OCC	ZINC000218200355	568476257	/nfs/dbraw/zinc/47/62/57/568476257.db2.gz	LAMJTAGBRQPUEX-UHFFFAOYSA-N	0	0	411.926	4.826	40	70		HJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1	ZINC000218651591	568482808	/nfs/dbraw/zinc/48/28/08/568482808.db2.gz	TWARKCOGQZNNLX-GOSISDBHSA-N	0	0	422.550	4.623	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218671298	568482857	/nfs/dbraw/zinc/48/28/57/568482857.db2.gz	WBMVWSZDGPDZIH-KRWDZBQOSA-N	0	0	407.514	4.768	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)c1	ZINC000218107885	568475122	/nfs/dbraw/zinc/47/51/22/568475122.db2.gz	IVIXLSVEKNDTKA-RCCKNPSSSA-N	0	0	415.449	4.537	40	70		HJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)CN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2	ZINC000218318660	568478364	/nfs/dbraw/zinc/47/83/64/568478364.db2.gz	QWEFBYMIKUBRLW-LJQANCHMSA-N	0	0	400.478	4.527	40	70		HJIBRN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)cc2)cc1	ZINC000218408905	568480052	/nfs/dbraw/zinc/48/00/52/568480052.db2.gz	BIXVMPFAVGHAGR-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218672160	568482863	/nfs/dbraw/zinc/48/28/63/568482863.db2.gz	ZCMYZUWCGCRDQC-OAHLLOKOSA-N	0	0	413.543	4.912	40	70		HJIBRN
COc1ccc(CSCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1	ZINC000218111813	568475223	/nfs/dbraw/zinc/47/52/23/568475223.db2.gz	ZUFFDETVZPNAKQ-UHFFFAOYSA-N	0	0	412.555	4.630	40	70		HJIBRN
Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	ZINC000218145846	568475743	/nfs/dbraw/zinc/47/57/43/568475743.db2.gz	VOIZRLLCHRYCEE-CQSZACIVSA-N	0	0	401.919	4.838	40	70		HJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2	ZINC000218213856	568476474	/nfs/dbraw/zinc/47/64/74/568476474.db2.gz	UVHVHIICSGYHLV-MRXNPFEDSA-N	0	0	421.278	4.632	40	70		HJIBRN
O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1Br	ZINC000218220647	568476485	/nfs/dbraw/zinc/47/64/85/568476485.db2.gz	JVASZUYLBZLORW-UHFFFAOYSA-N	0	0	402.716	4.905	40	70		HJIBRN
CC(C)Oc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1	ZINC000218303321	568478068	/nfs/dbraw/zinc/47/80/68/568478068.db2.gz	CNZLMKAJYASRJH-UHFFFAOYSA-N	0	0	424.522	4.551	40	70		HJIBRN
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1	ZINC000218670664	568482921	/nfs/dbraw/zinc/48/29/21/568482921.db2.gz	ZVDKWZVXKDNGDR-CQSZACIVSA-N	0	0	413.905	4.771	40	70		HJIBRN
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccc(Br)cc3)c2)cc1	ZINC000216743922	568466608	/nfs/dbraw/zinc/46/66/08/568466608.db2.gz	KSQCRSUFVWQEPK-OAQYLSRUSA-N	0	0	413.315	4.779	40	70		HJIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(C(C)(C)C)cc3)n2)cc1	ZINC000217955852	568474316	/nfs/dbraw/zinc/47/43/16/568474316.db2.gz	LIXKWFJWDDHDQI-OVCLIPMQSA-N	0	0	405.498	4.715	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)c1	ZINC000218046290	568474919	/nfs/dbraw/zinc/47/49/19/568474919.db2.gz	MECKZZCCACRHGY-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1	ZINC000218090987	568475115	/nfs/dbraw/zinc/47/51/15/568475115.db2.gz	DLEGQFXIVPJYLC-UHFFFAOYSA-N	0	0	408.310	4.842	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1C	ZINC000218348286	568478929	/nfs/dbraw/zinc/47/89/29/568478929.db2.gz	PQEQBRBFWIZGRY-LJQANCHMSA-N	0	0	422.550	4.620	40	70		HJIBRN
CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1	ZINC000218407101	568479921	/nfs/dbraw/zinc/47/99/21/568479921.db2.gz	VDBDHNIFCPCGGM-HSZRJFAPSA-N	0	0	422.550	4.985	40	70		HJIBRN
CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000218516484	568481425	/nfs/dbraw/zinc/48/14/25/568481425.db2.gz	LZCYVBGVPOVXHL-UHFFFAOYSA-N	0	0	418.584	4.534	40	70		HJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1	ZINC000218601334	568482352	/nfs/dbraw/zinc/48/23/52/568482352.db2.gz	MAMFDKGLWJONEB-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218671218	568482935	/nfs/dbraw/zinc/48/29/35/568482935.db2.gz	WBMVWSZDGPDZIH-QGZVFWFLSA-N	0	0	407.514	4.768	40	70		HJIBRN
Cc1cc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)cc(C)c1Cl	ZINC000218719443	568483083	/nfs/dbraw/zinc/48/30/83/568483083.db2.gz	JBMRDTHOXUQWDP-GOSISDBHSA-N	0	0	400.950	4.683	40	70		HJIBRN
O=C(CCCOc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1	ZINC000218738612	568483171	/nfs/dbraw/zinc/48/31/71/568483171.db2.gz	HYZSIXSDDDAMKU-UHFFFAOYSA-N	0	0	406.269	4.519	40	70		HJIBRN
COc1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)c(OC)c1OC	ZINC000217997133	568474521	/nfs/dbraw/zinc/47/45/21/568474521.db2.gz	BCWBZRFLHHNJOM-UHFFFAOYSA-N	0	0	423.534	4.935	40	70		HJIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C(=C/c3ccco3)c3ccccc3)n2)cc1	ZINC000218108013	568475106	/nfs/dbraw/zinc/47/51/06/568475106.db2.gz	BPXIQDLHTSHVMU-RCCKNPSSSA-N	0	0	415.449	4.537	40	70		HJIBRN
COc1ccc(CSCC(=O)NCCSCc2c(F)cccc2Cl)cc1	ZINC000218111189	568475248	/nfs/dbraw/zinc/47/52/48/568475248.db2.gz	ITRKGPPCASAGPX-UHFFFAOYSA-N	0	0	413.967	4.771	40	70		HJIBRN
O=C(CSCc1c(F)cccc1Cl)NCCCN1CCCc2ccccc21	ZINC000218206451	568476424	/nfs/dbraw/zinc/47/64/24/568476424.db2.gz	GFSAHWXTIMRJAU-UHFFFAOYSA-N	0	0	406.954	4.671	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1C	ZINC000218573842	568482035	/nfs/dbraw/zinc/48/20/35/568482035.db2.gz	OIXVUFRKJUEXLT-SFHVURJKSA-N	0	0	408.523	4.595	40	70		HJIBRN
O=C1CS[C@@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccco1	ZINC000216676451	568466210	/nfs/dbraw/zinc/46/62/10/568466210.db2.gz	JBISSCBVDPJEAJ-SFHVURJKSA-N	0	0	403.301	4.607	40	70		HJIBRN
COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1	ZINC000217909643	568474340	/nfs/dbraw/zinc/47/43/40/568474340.db2.gz	KQKDAVZXEXLOBI-UXBLZVDNSA-N	0	0	418.280	4.724	40	70		HJIBRN
O=C(NCc1nc(-c2ccccc2)no1)c1ccc(CSc2ccccc2)cc1	ZINC000218002328	568474549	/nfs/dbraw/zinc/47/45/49/568474549.db2.gz	VACXKRMZZMJWAD-UHFFFAOYSA-N	0	0	401.491	4.959	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C	ZINC000218407001	568479807	/nfs/dbraw/zinc/47/98/07/568479807.db2.gz	GYQBXKKJRBBTLY-SFHVURJKSA-N	0	0	408.523	4.595	40	70		HJIBRN
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218470791	568480717	/nfs/dbraw/zinc/48/07/17/568480717.db2.gz	UCABOYBCTHBMQP-OAHLLOKOSA-N	0	0	408.951	4.565	40	70		HJIBRN
COc1ccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc45)o3)n2)cc1	ZINC000218502080	568481134	/nfs/dbraw/zinc/48/11/34/568481134.db2.gz	QQQONEKIJKAOLL-UHFFFAOYSA-N	0	0	413.433	4.917	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)c1	ZINC000218543580	568481598	/nfs/dbraw/zinc/48/15/98/568481598.db2.gz	DYZKLWHYDDKETC-UHFFFAOYSA-N	0	0	407.514	4.634	40	70		HJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)c1	ZINC000218601420	568482365	/nfs/dbraw/zinc/48/23/65/568482365.db2.gz	MAMFDKGLWJONEB-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
COc1ccc(CNC(=O)c2ccccc2SCc2ccccc2)c(OC)c1OC	ZINC000218604267	568482377	/nfs/dbraw/zinc/48/23/77/568482377.db2.gz	MBWUTURNZMFRMK-UHFFFAOYSA-N	0	0	423.534	4.935	40	70		HJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1	ZINC000218651655	568482727	/nfs/dbraw/zinc/48/27/27/568482727.db2.gz	TWARKCOGQZNNLX-SFHVURJKSA-N	0	0	422.550	4.623	40	70		HJIBRN
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1	ZINC000218670733	568482890	/nfs/dbraw/zinc/48/28/90/568482890.db2.gz	ZVDKWZVXKDNGDR-AWEZNQCLSA-N	0	0	413.905	4.771	40	70		HJIBRN
COc1ccc2c(c1)[C@H](NC(=O)CCCOc1ccc(Cl)cc1)CC(C)(C)O2	ZINC000218737374	568483186	/nfs/dbraw/zinc/48/31/86/568483186.db2.gz	CDEYYWPNRAWNJQ-LJQANCHMSA-N	0	0	403.906	4.926	40	70		HJIBRN
CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)c(C)c1	ZINC000218407176	568479871	/nfs/dbraw/zinc/47/98/71/568479871.db2.gz	VDBDHNIFCPCGGM-QHCPKHFHSA-N	0	0	422.550	4.985	40	70		HJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C)c(C)c3)c2)cc1	ZINC000218576171	568482002	/nfs/dbraw/zinc/48/20/02/568482002.db2.gz	WFDSGPVSZXCGJU-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
CCOc1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1OCC	ZINC000218708837	568482953	/nfs/dbraw/zinc/48/29/53/568482953.db2.gz	URDQDNLFZXKRAM-INIZCTEOSA-N	0	0	405.922	4.838	40	70		HJIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCCOc1ccc(Cl)cc1	ZINC000218739068	568483195	/nfs/dbraw/zinc/48/31/95/568483195.db2.gz	SWVPWVTYJDMIRI-UHFFFAOYSA-N	0	0	420.296	4.861	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCOc1ccc(Cl)cc1	ZINC000218739224	568483223	/nfs/dbraw/zinc/48/32/23/568483223.db2.gz	ZXGROQJJFGKZEK-UHFFFAOYSA-N	0	0	405.907	4.659	40	70		HJIBRN
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1	ZINC000217994904	568474442	/nfs/dbraw/zinc/47/44/42/568474442.db2.gz	MPFBJKHKFHCAOK-NSHDSACASA-N	0	0	408.310	4.840	40	70		HJIBRN
O=C(CSCc1ccccc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218032890	568474778	/nfs/dbraw/zinc/47/47/78/568474778.db2.gz	ZLXMMNOOLWGQNV-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
O=C(NCc1nc(-c2ccccc2Cl)no1)/C(=C/c1ccco1)c1ccccc1	ZINC000218107237	568475191	/nfs/dbraw/zinc/47/51/91/568475191.db2.gz	UBJZAPDYUQNOLO-QGOAFFKASA-N	0	0	405.841	4.840	40	70		HJIBRN
Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc(Br)cc1	ZINC000218197162	568476255	/nfs/dbraw/zinc/47/62/55/568476255.db2.gz	RXDQJECCKRNZRB-OAHLLOKOSA-N	0	0	408.361	4.574	40	70		HJIBRN
O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccccc1C(=O)c1ccccc1	ZINC000218316842	568478218	/nfs/dbraw/zinc/47/82/18/568478218.db2.gz	YDSBQMNZBACJSL-UHFFFAOYSA-N	0	0	406.441	4.670	40	70		HJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN1c2cccc3cccc(c23)C1=O	ZINC000218318775	568478396	/nfs/dbraw/zinc/47/83/96/568478396.db2.gz	CXFMXQVZBDOWDN-IBGZPJMESA-N	0	0	400.478	4.527	40	70		HJIBRN
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1	ZINC000218346902	568478867	/nfs/dbraw/zinc/47/88/67/568478867.db2.gz	MXJAFJRRBIFIOT-LJQANCHMSA-N	0	0	422.550	4.620	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	ZINC000218672233	568482902	/nfs/dbraw/zinc/48/29/02/568482902.db2.gz	ZCMYZUWCGCRDQC-HNNXBMFYSA-N	0	0	413.543	4.912	40	70		HJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCOc1ccc(Cl)cc1	ZINC000218737446	568483202	/nfs/dbraw/zinc/48/32/02/568483202.db2.gz	HUWZXIFGKINRIV-IBGZPJMESA-N	0	0	403.906	4.926	40	70		HJIBRN
CC[C@H](NC(=O)c1cc2c(ccc3ccccc23)o1)c1ccc(S(C)(=O)=O)cc1	ZINC000218500635	568481062	/nfs/dbraw/zinc/48/10/62/568481062.db2.gz	ZRBPHBOSGZLHOH-FQEVSTJZSA-N	0	0	407.491	4.871	40	70		HJIBRN
Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCCC1	ZINC000218515457	568481186	/nfs/dbraw/zinc/48/11/86/568481186.db2.gz	IMPZFRLAZZRFEB-UHFFFAOYSA-N	0	0	420.962	4.774	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C	ZINC000218592700	568482296	/nfs/dbraw/zinc/48/22/96/568482296.db2.gz	PXYWUILVSNPNEF-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
CC(C)(C)c1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1	ZINC000217860604	568474054	/nfs/dbraw/zinc/47/40/54/568474054.db2.gz	IKQGFBRBHVYXIF-UHFFFAOYSA-N	0	0	414.303	4.727	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc(Cl)cc3Cl)n2)c1	ZINC000217909537	568474338	/nfs/dbraw/zinc/47/43/38/568474338.db2.gz	GRSSXMKKMGLSBJ-VQHVLOKHSA-N	0	0	418.280	4.724	40	70		HJIBRN
O=C(CCSc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218091096	568475188	/nfs/dbraw/zinc/47/51/88/568475188.db2.gz	RBCPYACXJDFXJO-UHFFFAOYSA-N	0	0	408.310	4.842	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(Cl)c3)n2)cc1	ZINC000218040076	568474809	/nfs/dbraw/zinc/47/48/09/568474809.db2.gz	UUCMXKJANUDEEK-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218145644	568475823	/nfs/dbraw/zinc/47/58/23/568475823.db2.gz	RWHRXKBPIWDBTP-AWEZNQCLSA-N	0	0	401.919	4.838	40	70		HJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3cc(C)ccc3C)c2)cc1	ZINC000218575021	568481982	/nfs/dbraw/zinc/48/19/82/568481982.db2.gz	VFELWSOKAPDDTE-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1	ZINC000218573974	568482000	/nfs/dbraw/zinc/48/20/00/568482000.db2.gz	VGDNYIVBHTXODM-HSZRJFAPSA-N	0	0	422.550	4.985	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C	ZINC000218584858	568482027	/nfs/dbraw/zinc/48/20/27/568482027.db2.gz	DYKNKZOINRPZNT-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C	ZINC000218574133	568482050	/nfs/dbraw/zinc/48/20/50/568482050.db2.gz	HQYZUXCXHYYYAB-HSZRJFAPSA-N	0	0	422.550	4.985	40	70		HJIBRN
CCOc1ccc(CCCNC(=O)CSCc2ccc(Br)cc2)cc1	ZINC000218196820	568476225	/nfs/dbraw/zinc/47/62/25/568476225.db2.gz	GEGPDCVCFMDLME-UHFFFAOYSA-N	0	0	422.388	4.830	40	70		HJIBRN
Cc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1C	ZINC000218348360	568478927	/nfs/dbraw/zinc/47/89/27/568478927.db2.gz	PQEQBRBFWIZGRY-IBGZPJMESA-N	0	0	422.550	4.620	40	70		HJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCOc1ccc(Cl)cc1	ZINC000218737511	568483254	/nfs/dbraw/zinc/48/32/54/568483254.db2.gz	HUWZXIFGKINRIV-LJQANCHMSA-N	0	0	403.906	4.926	40	70		HJIBRN
O=C1CS[C@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccco1	ZINC000216676711	568466227	/nfs/dbraw/zinc/46/62/27/568466227.db2.gz	SSOXZPGEOJODFX-GOSISDBHSA-N	0	0	403.301	4.607	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)c1	ZINC000218091425	568475186	/nfs/dbraw/zinc/47/51/86/568475186.db2.gz	QUKATOQCVVSBDE-UHFFFAOYSA-N	0	0	401.919	4.839	40	70		HJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)CC(C)(C)O2	ZINC000217837107	568474051	/nfs/dbraw/zinc/47/40/51/568474051.db2.gz	LSWZQTVMIPBORQ-INIZCTEOSA-N	0	0	410.297	4.799	40	70		HJIBRN
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1	ZINC000217994828	568474438	/nfs/dbraw/zinc/47/44/38/568474438.db2.gz	MPFBJKHKFHCAOK-LLVKDONJSA-N	0	0	408.310	4.840	40	70		HJIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSc1ccc(Cl)cc1	ZINC000217984845	568474443	/nfs/dbraw/zinc/47/44/43/568474443.db2.gz	LQAVXVGWBJWQHN-UHFFFAOYSA-N	0	0	408.310	4.794	40	70		HJIBRN
C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218075468	568475037	/nfs/dbraw/zinc/47/50/37/568475037.db2.gz	BALOBCDEVUXEJT-AWEZNQCLSA-N	0	0	401.919	4.670	40	70		HJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c1	ZINC000218346978	568478832	/nfs/dbraw/zinc/47/88/32/568478832.db2.gz	MXJAFJRRBIFIOT-IBGZPJMESA-N	0	0	422.550	4.620	40	70		HJIBRN
CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C	ZINC000218407282	568479875	/nfs/dbraw/zinc/47/98/75/568479875.db2.gz	DGBTVZIVQYEZDN-HSZRJFAPSA-N	0	0	422.550	4.985	40	70		HJIBRN
CC[C@@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218542291	568481534	/nfs/dbraw/zinc/48/15/34/568481534.db2.gz	CUUJFMOENDRPBX-OAQYLSRUSA-N	0	0	401.572	4.588	40	70		HJIBRN
Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)c1	ZINC000218583605	568482018	/nfs/dbraw/zinc/48/20/18/568482018.db2.gz	DXWAKXYGZHKQOV-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
COc1cc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C	ZINC000218708928	568482965	/nfs/dbraw/zinc/48/29/65/568482965.db2.gz	KKUYBJZWIXRIDB-MRXNPFEDSA-N	0	0	405.922	4.836	40	70		HJIBRN
COc1cc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1OC(C)C	ZINC000218708999	568483040	/nfs/dbraw/zinc/48/30/40/568483040.db2.gz	KKUYBJZWIXRIDB-INIZCTEOSA-N	0	0	405.922	4.836	40	70		HJIBRN
Cc1cc(O[C@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl	ZINC000218717527	568483065	/nfs/dbraw/zinc/48/30/65/568483065.db2.gz	HQECQFPLGCQMGE-CYBMUJFWSA-N	0	0	420.296	4.744	40	70		HJIBRN
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1Cl	ZINC000217837360	568474065	/nfs/dbraw/zinc/47/40/65/568474065.db2.gz	CIYQRPAOXXVPJC-MRXNPFEDSA-N	0	0	410.297	4.799	40	70		HJIBRN
O=C(CSCc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1	ZINC000218032782	568474696	/nfs/dbraw/zinc/47/46/96/568474696.db2.gz	MAOVIGJZEDRQKQ-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccccc1Cl	ZINC000218033628	568474798	/nfs/dbraw/zinc/47/47/98/568474798.db2.gz	QCGOEZSGLPOBOP-UHFFFAOYSA-N	0	0	422.337	4.935	40	70		HJIBRN
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccc(Cl)cc1	ZINC000218046674	568474875	/nfs/dbraw/zinc/47/48/75/568474875.db2.gz	GCIAJPZYOZFXGV-UHFFFAOYSA-N	0	0	422.337	4.935	40	70		HJIBRN
Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)N1CCCCCC1	ZINC000218516081	568481223	/nfs/dbraw/zinc/48/12/23/568481223.db2.gz	ZFDVMWNKQPCRKY-UHFFFAOYSA-N	0	0	414.571	4.935	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1	ZINC000217995402	568474423	/nfs/dbraw/zinc/47/44/23/568474423.db2.gz	GHUUUWJXCSVHPO-CYBMUJFWSA-N	0	0	417.918	4.538	40	70		HJIBRN
COc1ccc(OC[C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1	ZINC000218153714	568475897	/nfs/dbraw/zinc/47/58/97/568475897.db2.gz	NRGNGPOVMZWWSC-ZDUSSCGKSA-N	0	0	414.354	4.819	40	70		HJIBRN
Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1I)CC(C)(C)O2	ZINC000218217356	568476494	/nfs/dbraw/zinc/47/64/94/568476494.db2.gz	YIXMLPDIWCGAOO-MRXNPFEDSA-N	0	0	421.278	4.632	40	70		HJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1I	ZINC000218217530	568476501	/nfs/dbraw/zinc/47/65/01/568476501.db2.gz	VEYGQLMKOJVZSA-MRXNPFEDSA-N	0	0	421.278	4.632	40	70		HJIBRN
Cc1cccc(C)c1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O	ZINC000218271933	568477197	/nfs/dbraw/zinc/47/71/97/568477197.db2.gz	YWXIFEDBNMXJDK-UHFFFAOYSA-N	0	0	424.522	4.500	40	70		HJIBRN
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)c(C)c3)c2)cc1	ZINC000218576093	568481976	/nfs/dbraw/zinc/48/19/76/568481976.db2.gz	WFDSGPVSZXCGJU-IBGZPJMESA-N	0	0	422.550	4.904	40	70		HJIBRN
Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	ZINC000218026503	568474654	/nfs/dbraw/zinc/47/46/54/568474654.db2.gz	WUSOWNZCLAOYGQ-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1	ZINC000218039747	568474854	/nfs/dbraw/zinc/47/48/54/568474854.db2.gz	KXSRBSGCIZHEHH-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1C	ZINC000218406939	568479925	/nfs/dbraw/zinc/47/99/25/568479925.db2.gz	GYQBXKKJRBBTLY-GOSISDBHSA-N	0	0	408.523	4.595	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1C	ZINC000218653000	568482752	/nfs/dbraw/zinc/48/27/52/568482752.db2.gz	PPHWWZGADOVPSQ-GOSISDBHSA-N	0	0	422.550	4.623	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1	ZINC000217995475	568474448	/nfs/dbraw/zinc/47/44/48/568474448.db2.gz	GHUUUWJXCSVHPO-ZDUSSCGKSA-N	0	0	417.918	4.538	40	70		HJIBRN
O=C(CSCc1cccc(Cl)c1)NCc1nc(-c2ccccc2Cl)no1	ZINC000218039635	568474818	/nfs/dbraw/zinc/47/48/18/568474818.db2.gz	AJMJYMDQNLBXEG-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1	ZINC000218075375	568475078	/nfs/dbraw/zinc/47/50/78/568475078.db2.gz	BALOBCDEVUXEJT-CQSZACIVSA-N	0	0	401.919	4.670	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)c1	ZINC000218091617	568475089	/nfs/dbraw/zinc/47/50/89/568475089.db2.gz	CGPLDFXJVMHJRZ-UHFFFAOYSA-N	0	0	417.918	4.539	40	70		HJIBRN
Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1	ZINC000218145775	568475719	/nfs/dbraw/zinc/47/57/19/568475719.db2.gz	VOIZRLLCHRYCEE-AWEZNQCLSA-N	0	0	401.919	4.838	40	70		HJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1I)CC(C)(C)O2	ZINC000218217277	568476499	/nfs/dbraw/zinc/47/64/99/568476499.db2.gz	YIXMLPDIWCGAOO-INIZCTEOSA-N	0	0	421.278	4.632	40	70		HJIBRN
COc1ccc2c(c1)[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)CC(C)(C)O2	ZINC000218737320	568483231	/nfs/dbraw/zinc/48/32/31/568483231.db2.gz	CDEYYWPNRAWNJQ-IBGZPJMESA-N	0	0	403.906	4.926	40	70		HJIBRN
O=C1CS[C@@H](c2ccn(-c3ccc(Br)cc3)c2)N1Cc1ccco1	ZINC000216676662	568466236	/nfs/dbraw/zinc/46/62/36/568466236.db2.gz	SSOXZPGEOJODFX-SFHVURJKSA-N	0	0	403.301	4.607	40	70		HJIBRN
O=C1CS[C@@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccco1	ZINC000216677551	568466405	/nfs/dbraw/zinc/46/64/05/568466405.db2.gz	DPXWIXSGJSCWHC-SFHVURJKSA-N	0	0	403.301	4.607	40	70		HJIBRN
Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccccc3Cl)n2)c1	ZINC000218033217	568474776	/nfs/dbraw/zinc/47/47/76/568474776.db2.gz	XAXLZZSMYQZRAO-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)CN1c3cccc4cccc(c34)C1=O)CC(C)(C)O2	ZINC000218318582	568478329	/nfs/dbraw/zinc/47/83/29/568478329.db2.gz	QWEFBYMIKUBRLW-IBGZPJMESA-N	0	0	400.478	4.527	40	70		HJIBRN
Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)N1CCCCCC1	ZINC000218515853	568481274	/nfs/dbraw/zinc/48/12/74/568481274.db2.gz	AVWXNUZILVLPBO-UHFFFAOYSA-N	0	0	424.925	4.605	40	70		HJIBRN
CC[C@H](NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1	ZINC000218542375	568481604	/nfs/dbraw/zinc/48/16/04/568481604.db2.gz	CUUJFMOENDRPBX-NRFANRHFSA-N	0	0	401.572	4.588	40	70		HJIBRN
O=C1CS[C@H](c2ccn(-c3cccc(Br)c3)c2)N1Cc1ccco1	ZINC000216676494	568466191	/nfs/dbraw/zinc/46/61/91/568466191.db2.gz	JBISSCBVDPJEAJ-GOSISDBHSA-N	0	0	403.301	4.607	40	70		HJIBRN
CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1	ZINC000217908589	568474247	/nfs/dbraw/zinc/47/42/47/568474247.db2.gz	HDAVVZWZITUYEU-JGZYNSJSSA-N	0	0	412.338	4.678	40	70		HJIBRN
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2	ZINC000217953971	568474310	/nfs/dbraw/zinc/47/43/10/568474310.db2.gz	HHCOPXVNGAMPHL-ZYKUOIRYSA-N	0	0	400.906	4.861	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)CCSc1ccc(Cl)cc1	ZINC000218092135	568475181	/nfs/dbraw/zinc/47/51/81/568475181.db2.gz	NNTSWSTWVVEGSD-UHFFFAOYSA-N	0	0	407.948	4.982	40	70		HJIBRN
CN(Cc1nc(-c2ccccc2)no1)C(=O)CSCc1c(Cl)cccc1Cl	ZINC000218157468	568475845	/nfs/dbraw/zinc/47/58/45/568475845.db2.gz	RCCOTMSJBFAJDO-UHFFFAOYSA-N	0	0	422.337	4.935	40	70		HJIBRN
Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1	ZINC000218197367	568476300	/nfs/dbraw/zinc/47/63/00/568476300.db2.gz	HOEXAVGYUFPZAB-OAHLLOKOSA-N	0	0	408.361	4.574	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C	ZINC000218602693	568482389	/nfs/dbraw/zinc/48/23/89/568482389.db2.gz	JKESILWPSRBJRP-LJQANCHMSA-N	0	0	422.550	4.904	40	70		HJIBRN
COc1ccc(CN2CCO[C@@H]2c2ccn(-c3ccccc3Br)c2)cc1	ZINC000216744811	568466584	/nfs/dbraw/zinc/46/65/84/568466584.db2.gz	WFRNYGCFSDQGGW-OAQYLSRUSA-N	0	0	413.315	4.779	40	70		HJIBRN
Cc1ccc(CSCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1	ZINC000218026407	568474669	/nfs/dbraw/zinc/47/46/69/568474669.db2.gz	UBLGXHKGWCVOEH-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
O=C(CSCc1c(Cl)cccc1Cl)NCc1nc(-c2ccccc2)no1	ZINC000218156872	568475894	/nfs/dbraw/zinc/47/58/94/568475894.db2.gz	ZVYYTPFHINTJMK-UHFFFAOYSA-N	0	0	408.310	4.593	40	70		HJIBRN
CC(C)c1ccc(CCCNC(=O)c2ccc(I)cc2)cc1	ZINC000218216062	568476527	/nfs/dbraw/zinc/47/65/27/568476527.db2.gz	FVWOIFBAGVDAPJ-UHFFFAOYSA-N	0	0	407.295	4.777	40	70		HJIBRN
Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccccc3Cl)no2)cc(C)c1Cl	ZINC000218717462	568483113	/nfs/dbraw/zinc/48/31/13/568483113.db2.gz	HQECQFPLGCQMGE-ZDUSSCGKSA-N	0	0	420.296	4.744	40	70		HJIBRN
O=C1CS[C@H](c2ccn(-c3ccccc3Br)c2)N1Cc1ccco1	ZINC000216677596	568466347	/nfs/dbraw/zinc/46/63/47/568466347.db2.gz	DPXWIXSGJSCWHC-GOSISDBHSA-N	0	0	403.301	4.607	40	70		HJIBRN
COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Cl)(C3)C2	ZINC000217630213	568473310	/nfs/dbraw/zinc/47/33/10/568473310.db2.gz	LUVGDQLCCMZRFO-CVJJIFMNSA-N	0	0	404.869	4.610	40	70		HJIBRN
Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(I)cc1	ZINC000218214023	568476471	/nfs/dbraw/zinc/47/64/71/568476471.db2.gz	FHUXMXBECOYZOH-MRXNPFEDSA-N	0	0	421.278	4.632	40	70		HJIBRN
Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(I)cc1)CC(C)(C)O2	ZINC000218213773	568476498	/nfs/dbraw/zinc/47/64/98/568476498.db2.gz	UVHVHIICSGYHLV-INIZCTEOSA-N	0	0	421.278	4.632	40	70		HJIBRN
CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1C	ZINC000218407356	568479892	/nfs/dbraw/zinc/47/98/92/568479892.db2.gz	DGBTVZIVQYEZDN-QHCPKHFHSA-N	0	0	422.550	4.985	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)cc1	ZINC000218717849	568483122	/nfs/dbraw/zinc/48/31/22/568483122.db2.gz	HLYHDJBPCQDPAO-MRXNPFEDSA-N	0	0	413.905	4.741	40	70		HJIBRN
CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Sc1ccc(Cl)cc1	ZINC000217996236	568474566	/nfs/dbraw/zinc/47/45/66/568474566.db2.gz	HBUFKYXKXGGCSB-LBPRGKRZSA-N	0	0	407.948	4.981	40	70		HJIBRN
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccccc1Cl	ZINC000218033760	568474725	/nfs/dbraw/zinc/47/47/25/568474725.db2.gz	KTGXTEXILJVUDU-UHFFFAOYSA-N	0	0	422.337	4.935	40	70		HJIBRN
Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3)n2)cc1	ZINC000218046366	568474926	/nfs/dbraw/zinc/47/49/26/568474926.db2.gz	XHWGXNZOPHYPCG-UHFFFAOYSA-N	0	0	401.919	4.590	40	70		HJIBRN
CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc(OC)c(OC)c1	ZINC000218204703	568476418	/nfs/dbraw/zinc/47/64/18/568476418.db2.gz	DVLKJIPUMHBCKJ-KRWDZBQOSA-N	0	0	411.926	4.997	40	70		HJIBRN
Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1C	ZINC000218304373	568478079	/nfs/dbraw/zinc/47/80/79/568478079.db2.gz	DXZXTYRFKJBPDH-LJQANCHMSA-N	0	0	422.550	4.620	40	70		HJIBRN
COc1cccc(-c2noc(CN(C)C(=O)c3cc4c(ccc5ccccc45)o3)n2)c1	ZINC000218501965	568481163	/nfs/dbraw/zinc/48/11/63/568481163.db2.gz	ILSHLMOPTZCGOS-UHFFFAOYSA-N	0	0	413.433	4.917	40	70		HJIBRN