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+]1CCN(C(=O)CC2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)CC1	ZINC000132966257	1200033999	/nfs/dbraw/zinc/03/39/99/1200033999.db2.gz	RNRDXFMHDQSVIC-UHFFFAOYSA-N	2	1	391.472	0.633	10	5		GCBEMP
C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	ZINC000173368062	1200331692	/nfs/dbraw/zinc/33/16/92/1200331692.db2.gz	BRSHZKJHSUURAM-KRWDZBQOSA-N	2	1	394.476	0.028	10	5		GCBEMP
C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1	ZINC000173368080	1200331311	/nfs/dbraw/zinc/33/13/11/1200331311.db2.gz	BRSHZKJHSUURAM-QGZVFWFLSA-N	2	1	394.476	0.028	10	5		GCBEMP