smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Oc1cncc(Cl)c1)c1cc([N+](=O)[O-])[n-]n1	ZINC000040431036	174260049	/nfs/dbraw/zinc/26/00/49/174260049.db2.gz	OZKRGPPMLLQBAY-UHFFFAOYSA-N	-1	3	268.616	1.586	1	5		CDBFHM
O=C(Oc1cncc(Cl)c1)c1cc([N+](=O)[O-])n[n-]1	ZINC000040431036	174260050	/nfs/dbraw/zinc/26/00/50/174260050.db2.gz	OZKRGPPMLLQBAY-UHFFFAOYSA-N	-1	3	268.616	1.586	1	5		CDBFHM
COc1c(=O)cc([O-])c2c(O)c3cccc(O)c3n(C)c1-2	ZINC000014725164	571722056	/nfs/dbraw/zinc/72/20/56/571722056.db2.gz	QEGXAAUCDUFHPJ-UHFFFAOYSA-N	-1	3	287.271	1.817	1	5	endogenous,in-man	CDBFHM
Cc1c[n-]c(=O)c([N+](=O)[O-])c1Sc1nccn1C	ZINC000005891839	170150928	/nfs/dbraw/zinc/15/09/28/170150928.db2.gz	CHLNTHUJRKNSEL-UHFFFAOYSA-N	-1	3	266.282	1.476	1	5		CDBFHM
O=c1c([O-])c2[nH]ccc3c4ccccc4n(c3-2)c1=O	ZINC000013482849	571702100	/nfs/dbraw/zinc/70/21/00/571702100.db2.gz	XPMYKCPEDQIDCM-UHFFFAOYSA-N	-1	3	252.229	1.850	1	5	endogenous,in-man	CDBFHM
C[N+](C)(C)[C@H](COC(=O)c1ccc([O-])cc1)CC(=O)[O-]	ZINC000013352942	717107567	/nfs/dbraw/zinc/10/75/67/717107567.db2.gz	PZULOZLBZCWPCR-NSHDSACASA-O	-1	3	282.316	1.099	1	5		CDBFHM
Cc1c[n-]c(=O)c([N+](=O)[O-])c1SC1=NCCS1	ZINC000005891810	170150695	/nfs/dbraw/zinc/15/06/95/170150695.db2.gz	KBMYGTVRQXGYCZ-UHFFFAOYSA-N	-1	3	271.323	1.786	1	5		CDBFHM