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]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004533776	207026785	/nfs/dbraw/zinc/02/67/85/207026785.db2.gz	PNLFGUZFZPZVIB-GUBZILKMSA-N	1	0	351.363	-0.110	40	5		FBBBRO
O=C(C[C@H]([NH2+]CCN1CC[NH2+]CC1)C(=O)[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000035355699	518201510	/nfs/dbraw/zinc/20/15/10/518201510.db2.gz	QKBQJPDUYGUHGQ-AWEZNQCLSA-N	1	0	365.390	-0.129	40	5		FBBBRO
O=C(C[C@@H]([NH2+]CCN1CC[NH2+]CC1)C(=O)[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000035355703	484338246	/nfs/dbraw/zinc/33/82/46/484338246.db2.gz	QKBQJPDUYGUHGQ-CQSZACIVSA-N	1	0	365.390	-0.129	40	5		FBBBRO