smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026974949	563038457	/nfs/dbraw/zinc/03/84/57/563038457.db2.gz	HSEMVMQISINIBG-ULQDDVLXSA-N	-1	1	461.475	-0.353	1	5		JBBFMM
O=C([O-])C[NH2+][C@H](Cc1ccc([N+](=O)[O-])cc1)CN1CCN(CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029052447	563093129	/nfs/dbraw/zinc/09/31/29/563093129.db2.gz	JYJZZHRVSXWCFL-QGZVFWFLSA-N	-1	1	481.506	-0.731	1	5		JBBFMM
O=C([O-])C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)CN1CCN(CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029052452	563093099	/nfs/dbraw/zinc/09/30/99/563093099.db2.gz	JYJZZHRVSXWCFL-KRWDZBQOSA-N	-1	1	481.506	-0.731	1	5		JBBFMM
O=C([O-])CN1CCN(CC[NH+](CC(=O)[O-])Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](CC(=O)[O-])CC1	ZINC000029055275	563093561	/nfs/dbraw/zinc/09/35/61/563093561.db2.gz	VXDKCXVAZVKBOZ-UHFFFAOYSA-N	-1	1	481.506	-0.430	1	5		JBBFMM
O=C([O-])CN1CCN(CC[NH+](CC(=O)[O-])Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](CC(=O)[O-])CC1	ZINC000029055275	563093559	/nfs/dbraw/zinc/09/35/59/563093559.db2.gz	VXDKCXVAZVKBOZ-UHFFFAOYSA-N	-1	1	481.506	-0.430	1	5		JBBFMM
O=C([O-])CN1CCN(CC[N@@H+](CC(=O)[O-])Cc2ccc([N+](=O)[O-])cc2)CC[NH+](CC(=O)[O-])CC1	ZINC000029055275	563093558	/nfs/dbraw/zinc/09/35/58/563093558.db2.gz	VXDKCXVAZVKBOZ-UHFFFAOYSA-N	-1	1	481.506	-0.430	1	5		JBBFMM