smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c1	ZINC000216940638	568469421	/nfs/dbraw/zinc/46/94/21/568469421.db2.gz	HWQJNYBXESWJEZ-UHFFFAOYSA-N	-1	3	415.559	3.237	40	70		HGIBHM
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c1C	ZINC000216940534	568469407	/nfs/dbraw/zinc/46/94/07/568469407.db2.gz	LOFARMUCDLVVMR-UHFFFAOYSA-N	-1	3	415.559	3.237	40	70		HGIBHM
COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218402905	568479829	/nfs/dbraw/zinc/47/98/29/568479829.db2.gz	CPGQOPCDENCMGU-QGZVFWFLSA-N	-1	3	404.488	3.099	40	70		HGIBHM
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000218403027	568479833	/nfs/dbraw/zinc/47/98/33/568479833.db2.gz	HDMCGPGYRTZMLH-KRWDZBQOSA-N	-1	3	404.488	3.099	40	70		HGIBHM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2Cl)cc1	ZINC000216940836	568469582	/nfs/dbraw/zinc/46/95/82/568469582.db2.gz	JVJAZOIOZVEMNR-UHFFFAOYSA-N	-1	3	421.950	3.273	40	70		HGIBHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CCN(C)CC3)c2)cc1	ZINC000217021816	568470088	/nfs/dbraw/zinc/47/00/88/568470088.db2.gz	UUBFNYNBHZEMKO-UHFFFAOYSA-N	-1	3	421.950	3.273	40	70		HGIBHM
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c1	ZINC000216940684	568469454	/nfs/dbraw/zinc/46/94/54/568469454.db2.gz	XBFNZOSPXQRFHE-UHFFFAOYSA-N	-1	3	415.559	3.237	40	70		HGIBHM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)c(C)c1	ZINC000216940977	568469573	/nfs/dbraw/zinc/46/95/73/568469573.db2.gz	RQZCFKRAFMJEAU-UHFFFAOYSA-N	-1	3	415.559	3.237	40	70		HGIBHM
COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC(C)(C)O2	ZINC000218402837	568479814	/nfs/dbraw/zinc/47/98/14/568479814.db2.gz	CPGQOPCDENCMGU-KRWDZBQOSA-N	-1	3	404.488	3.099	40	70		HGIBHM
CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000218405568	568479845	/nfs/dbraw/zinc/47/98/45/568479845.db2.gz	YXZQFXJVMDMBSK-UHFFFAOYSA-N	-1	3	420.878	3.034	40	70		HGIBHM
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1Cl	ZINC000216940754	568469473	/nfs/dbraw/zinc/46/94/73/568469473.db2.gz	ZXYIVJKOWORFFX-UHFFFAOYSA-N	-1	3	421.950	3.273	40	70		HGIBHM
CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000218405679	568479889	/nfs/dbraw/zinc/47/98/89/568479889.db2.gz	RAVSIXMNHFXJHR-UHFFFAOYSA-N	-1	3	420.878	3.034	40	70		HGIBHM
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000218403104	568479916	/nfs/dbraw/zinc/47/99/16/568479916.db2.gz	HDMCGPGYRTZMLH-QGZVFWFLSA-N	-1	3	404.488	3.099	40	70		HGIBHM
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2C)cc1C	ZINC000216940590	568469499	/nfs/dbraw/zinc/46/94/99/568469499.db2.gz	GHWQJPSARPYYPE-UHFFFAOYSA-N	-1	3	415.559	3.237	40	70		HGIBHM