smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cn(Cc3ccccc3F)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006423084	569332072	/nfs/dbraw/zinc/33/20/72/569332072.db2.gz	AKHNXKHNVMSLTR-MDZDMXLPSA-N	-2	3	406.373	3.284	40	5		HGBBHL
O=c1nc(C=Cc2cccc(Oc3nc(Cl)ncc3F)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409327698	559247875	/nfs/dbraw/zinc/24/78/75/559247875.db2.gz	WIXRPJFXIXAEME-PLNGDYQASA-N	-2	3	405.729	3.341	40	5		HGBBHL
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])nnc1-c1ccccc1[O-]	ZINC000409412311	559249678	/nfs/dbraw/zinc/24/96/78/559249678.db2.gz	HYJQNYUIFZVXBA-UHFFFAOYSA-N	-2	3	415.431	3.015	40	5		HGBBHL
O=c1nc(C=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000007098729	569336854	/nfs/dbraw/zinc/33/68/54/569336854.db2.gz	HFLSWMCSSDFNQT-JXMROGBWSA-N	-2	3	406.373	3.284	40	5		HGBBHL