smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CNCC[NH2+]C[C@@H](C)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000003918145	561685406	/nfs/dbraw/zinc/68/54/06/561685406.db2.gz	PXBZKHOQHTVCSQ-QZTJIDSGSA-N	1	0	624.610	3.658	10	5	investigational	KHBERO
CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3cccc([N+](=O)[O-])c3)c(C)nn2-c2ccccc2)CC1	ZINC000034835129	554019508	/nfs/dbraw/zinc/01/95/08/554019508.db2.gz	DIQIEBHKFAZMKM-UHFFFAOYSA-N	1	0	520.634	3.910	10	5		KHBERO
NC(=[NH2+])c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	ZINC000096910534	562799999	/nfs/dbraw/zinc/79/99/99/562799999.db2.gz	BXRFHMBBGCZJBW-UHFFFAOYSA-N	1	0	523.068	3.667	10	5		KHBERO