smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc21	ZINC000000114149	206208298	/nfs/dbraw/zinc/20/82/98/206208298.db2.gz	CQBILERFRLTFMJ-UHFFFAOYSA-N	-1	2	349.393	2.499	50	10		EECALM
Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000000088193	462541667	/nfs/dbraw/zinc/54/16/67/462541667.db2.gz	WOWYDZPZKDYFMD-UHFFFAOYSA-N	-1	2	349.393	2.499	50	10		EECALM
CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CC[NH+](C)CC3)c21	ZINC000019530704	201369452	/nfs/dbraw/zinc/36/94/52/201369452.db2.gz	HJZRMYRSMHLBMM-UHFFFAOYSA-N	-1	2	345.443	2.116	50	10		EECALM
O=C1NC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3[O-])o2)C(=O)N1	ZINC000016677885	1180416874	/nfs/dbraw/zinc/41/68/74/1180416874.db2.gz	JQOYDFAGRLEALB-UHFFFAOYSA-N	-1	2	343.251	2.150	50	10		EECALM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc3nsnc32)c1	ZINC000000084728	462541909	/nfs/dbraw/zinc/54/19/09/462541909.db2.gz	RAXRAURQKQCJIS-UHFFFAOYSA-N	-1	2	335.366	2.190	50	10		EECALM
O=C1NC(=O)C(=Cc2ccc(-c3ccc([O-])c([N+](=O)[O-])c3)o2)C(=O)N1	ZINC000015857419	462965257	/nfs/dbraw/zinc/96/52/57/462965257.db2.gz	HFCMASQRVSDDDX-UHFFFAOYSA-N	-1	2	343.251	2.150	50	10		EECALM
Cc1ccc2nsnc2c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1	ZINC000000032625	462539970	/nfs/dbraw/zinc/53/99/70/462539970.db2.gz	JXJVIAADDAGRPX-UHFFFAOYSA-N	-1	2	349.393	2.499	50	10		EECALM
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc2nsnc21	ZINC000000034410	462540225	/nfs/dbraw/zinc/54/02/25/462540225.db2.gz	VUAJTZUMXHXMEC-UHFFFAOYSA-N	-1	2	335.366	2.190	50	10		EECALM
Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc2nsnc21	ZINC000035064935	301958246	/nfs/dbraw/zinc/95/82/46/301958246.db2.gz	VAHQOPZMDMQDEL-UHFFFAOYSA-N	-1	2	349.393	2.499	50	10		EECALM