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)c2c([O-])c3ccccc3oc-2c1	ZINC000014492291	178197515	/nfs/dbraw/zinc/19/75/15/178197515.db2.gz	UJJFBGPVOMLYGN-UHFFFAOYSA-N	-1	3	226.231	2.960	1	5		BFBFHM
Cc1cc([O-])c2c(c1)oc1ccccc1c2=O	ZINC000014492291	178197518	/nfs/dbraw/zinc/19/75/18/178197518.db2.gz	UJJFBGPVOMLYGN-UHFFFAOYSA-N	-1	3	226.231	2.960	1	5		BFBFHM
O=C([N-]c1cccs1)c1ccc([N+](=O)[O-])o1	ZINC000095593669	182385155	/nfs/dbraw/zinc/38/51/55/182385155.db2.gz	KRULKWGBNUBDDB-UHFFFAOYSA-N	-1	3	238.224	2.502	1	5		BFBFHM
Cc1cc2cc([O-])c3c(O)cccc3c2oc1=O	ZINC000014612971	178295745	/nfs/dbraw/zinc/29/57/45/178295745.db2.gz	UYYWTMFSNPFAND-UHFFFAOYSA-N	-1	3	242.230	2.666	1	5		BFBFHM
COc1ccc2oc3cccc(=O)c-3c([O-])c2c1	ZINC000015119030	175232541	/nfs/dbraw/zinc/23/25/41/175232541.db2.gz	YYEBGEJSHOBJIB-UHFFFAOYSA-N	-1	3	242.230	2.660	1	5	biogenic,in-vitro	BFBFHM
COc1ccc2oc3cccc([O-])c3c(=O)c2c1	ZINC000015119030	175232542	/nfs/dbraw/zinc/23/25/42/175232542.db2.gz	YYEBGEJSHOBJIB-UHFFFAOYSA-N	-1	3	242.230	2.660	1	5	biogenic,in-vitro	BFBFHM
CCn1c2ccccc2c(=O)c2c([O-])cccc21	ZINC000064549652	172148444	/nfs/dbraw/zinc/14/84/44/172148444.db2.gz	GCUXANMXCMQXLH-UHFFFAOYSA-N	-1	3	239.274	2.880	1	5		BFBFHM