smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C([O-])C(N)C(=O)NC1=O	238546446	573862878	/nfs/dbraw/zinc/86/28/78/573862878.db2.gz	ZDYZMYAJDFWYGC-UHFFFAOYSA-N	-2	0	156.141	0.089	10	10		ACCERL
O=C([O-])c1cc([O-])c(O)cc1[N+](=O)[O-]	13335549	169356557	/nfs/dbraw/zinc/35/65/57/169356557.db2.gz	WJLNBPVVIXCYOV-UHFFFAOYSA-N	-2	0	199.118	0.704	10	10		ACCERL
O=C([O-])c1cc(O)c(O)c(C(=O)[O-])c1	6091193	169356747	/nfs/dbraw/zinc/35/67/47/169356747.db2.gz	FBOCZYIJDQZQFE-UHFFFAOYSA-N	-2	0	198.130	0.494	10	10	in-vitro,metabolite	ACCERL
O=C([O-])c1ccc(O)c(O)c1C(=O)[O-]	901679	169358169	/nfs/dbraw/zinc/35/81/69/169358169.db2.gz	QXGJCWSBOZXWOV-UHFFFAOYSA-N	-2	0	198.130	0.494	10	10	in-vitro	ACCERL
O=C([O-])Cc1cc([O-])[nH]c(=O)c1	95767542	171139002	/nfs/dbraw/zinc/13/90/02/171139002.db2.gz	PXSCXFHBAUIDCT-UHFFFAOYSA-N	-2	0	169.136	0.120	10	10		ACCERL