smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000037011453	174949401	/nfs/dbraw/zinc/94/94/01/174949401.db2.gz	AEDVAGWYAKIOIM-UHFFFAOYSA-N	-2	1	213.145	1.007	50	5	in-vitro	BDBAML
O=c1[n-]cc(Br)c([O-])c1[N+](=O)[O-]	ZINC000005491119	385132199	/nfs/dbraw/zinc/13/21/99/385132199.db2.gz	PUAJVHSNEHQMNU-UHFFFAOYSA-N	-2	1	234.993	1.164	50	5		BDBAML
COc1cc([N+](=O)[O-])c(C(=O)[O-])cc1[O-]	ZINC000012480445	175017652	/nfs/dbraw/zinc/01/76/52/175017652.db2.gz	VAFJDIUJDDCMHN-UHFFFAOYSA-N	-2	1	213.145	1.007	50	5		BDBAML
CC(=O)c1cc([N+](=O)[O-])c([O-])c(C)c1[O-]	ZINC000003080698	388363504	/nfs/dbraw/zinc/36/35/04/388363504.db2.gz	PIYDSCSXFORFEA-UHFFFAOYSA-N	-2	1	211.173	1.517	50	5		BDBAML