smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2n1	ZINC000013524018	581099477	/nfs/dbraw/zinc/09/94/77/581099477.db2.gz	SWCXAPOVHZLMII-UHFFFAOYSA-N	1	1	296.330	1.989	1	5		CDBFMO
C[NH+]1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1	ZINC000028522654	171562037	/nfs/dbraw/zinc/56/20/37/171562037.db2.gz	VKDCTOSEJMNFGY-UHFFFAOYSA-N	1	1	295.324	1.458	1	5		CDBFMO
C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000038227923	174137457	/nfs/dbraw/zinc/13/74/57/174137457.db2.gz	YLZDMOSAEQTTBH-UHFFFAOYSA-N	1	1	288.307	1.464	1	5		CDBFMO
CCOc1nc(C)c([N+](=O)[O-])c(-n2cc[nH+]c2C)n1	ZINC000040766878	174398307	/nfs/dbraw/zinc/39/83/07/174398307.db2.gz	MAEYMMCWICBISF-UHFFFAOYSA-N	1	1	263.257	1.586	1	5		CDBFMO