smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])cc2oc(=O)c3ccccc3c12	ZINC000000134002	178199983	/nfs/dbraw/zinc/19/99/83/178199983.db2.gz	YOSKCVRHHOWKLT-UHFFFAOYSA-N	-1	1	226.231	2.960	50	5		BFBAMM
COc1cccc2oc3cc([O-])ccc3c(=O)c12	ZINC000004167143	175308563	/nfs/dbraw/zinc/30/85/63/175308563.db2.gz	UKPKWIBNYWUEMK-UHFFFAOYSA-N	-1	1	242.230	2.660	50	5		BFBAMM
Cc1cc([N+](=O)[O-])c([O-])c(C(C)(C)C)c1	ZINC000019203513	178270487	/nfs/dbraw/zinc/27/04/87/178270487.db2.gz	NLRFBTUMGBHDRH-UHFFFAOYSA-N	-1	1	209.245	2.906	50	5		BFBAMM
O=c1oc2cc([O-])ccc2c2ccccc12	ZINC000000086978	342673769	/nfs/dbraw/zinc/67/37/69/342673769.db2.gz	WXUQMTRHPNOXBV-UHFFFAOYSA-N	-1	1	212.204	2.652	50	5	endogenous,in-man	BFBAMM
O=c1c2ccccc2oc2cc([O-])ccc21	ZINC000004343981	358242269	/nfs/dbraw/zinc/24/22/69/358242269.db2.gz	XCJHDJAODLKGLG-UHFFFAOYSA-N	-1	1	212.204	2.652	50	5		BFBAMM
CCCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000016662662	360181494	/nfs/dbraw/zinc/18/14/94/360181494.db2.gz	DAJQSOUYBMGOQV-UHFFFAOYSA-N	-1	1	238.287	2.532	50	5		BFBAMM
CCCC[N@@H+](C)Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000016662670	360181045	/nfs/dbraw/zinc/18/10/45/360181045.db2.gz	FFCIFZQKZCQDAQ-UHFFFAOYSA-N	-1	1	238.287	2.532	50	5		BFBAMM
COc1ccc2c3ccc([O-])cc3oc(=O)c2c1	ZINC000004029338	175217846	/nfs/dbraw/zinc/21/78/46/175217846.db2.gz	IGJLBTGXYKPECW-UHFFFAOYSA-N	-1	1	242.230	2.660	50	5	biogenic	BFBAMM
Cc1cccc2c(=O)c3c(O)cc([O-])cc3oc12	ZINC000008510804	179207852	/nfs/dbraw/zinc/20/78/52/179207852.db2.gz	KRVDRUAUZUPZQV-UHFFFAOYSA-N	-1	1	242.230	2.666	50	5	biogenic	BFBAMM
O=c1c2ccccc2oc2c([O-])cccc12	ZINC000004128067	398328571	/nfs/dbraw/zinc/32/85/71/398328571.db2.gz	KBQFPPUAIJHDCO-UHFFFAOYSA-N	-1	1	212.204	2.652	50	5	endogenous,in-man	BFBAMM
Cc1ccc2c(c1)oc1cc([O-])cc(O)c1c2=O	ZINC000026476477	343105425	/nfs/dbraw/zinc/10/54/25/343105425.db2.gz	USPLYEBEGSRMEJ-UHFFFAOYSA-N	-1	1	242.230	2.666	50	5	biogenic	BFBAMM