smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCn1c([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c(=O)c2ccccc21	ZINC000006472317	569058157	/nfs/dbraw/zinc/05/81/57/569058157.db2.gz	MAYJDFNLWBQCCP-UHFFFAOYSA-N	-2	1	411.414	3.763	50	5		HHBAML
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000072312993	558838428	/nfs/dbraw/zinc/83/84/28/558838428.db2.gz	ZEWAVVLBNIGSEB-UHFFFAOYSA-N	-2	1	405.215	3.709	50	5		HHBAML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCc3ccccc32)ccc1[O-]	ZINC000031535059	568927707	/nfs/dbraw/zinc/92/77/07/568927707.db2.gz	ZZUHYXMLXWFSNY-UHFFFAOYSA-N	-2	1	411.439	3.795	50	5		HHBAML
CCCCCn1c([O-])c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(=O)c2ccccc21	ZINC000018122009	560778246	/nfs/dbraw/zinc/77/82/46/560778246.db2.gz	BAMYZLUNJQEZDC-UHFFFAOYSA-N	-2	1	411.414	3.763	50	5		HHBAML
O=c1[n-]c(C=Cc2cn(Cc3ccccc3F)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000008994520	571208156	/nfs/dbraw/zinc/20/81/56/571208156.db2.gz	WXVOLLKMBRJUSU-MDZDMXLPSA-N	-2	1	406.373	3.696	50	5		HHBAML