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](CN(CC(=O)[O-])C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000027107654	561840642	/nfs/dbraw/zinc/84/06/42/561840642.db2.gz	ZARZXYZQIAWHAJ-RHSMWYFYSA-N	-3	2	542.498	-0.777	1	5		KBBFLL
C[C@@H](C[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000027108048	561840605	/nfs/dbraw/zinc/84/06/05/561840605.db2.gz	OVWWHMMGBZWBKR-WMLDXEAASA-N	-3	2	542.498	-0.777	1	5		KBBFLL
C[C@H](C[NH+](CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+](CC(=O)[O-])CC(=O)[O-]	ZINC000027108051	561840573	/nfs/dbraw/zinc/84/05/73/561840573.db2.gz	OVWWHMMGBZWBKR-RHSMWYFYSA-N	-3	2	542.498	-0.777	1	5		KBBFLL
O=C([O-])CN1CCN(C[C@@H](Cc2ccc([N+](=O)[O-])cc2)[NH+](CC(=O)[O-])CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029052899	561994731	/nfs/dbraw/zinc/99/47/31/561994731.db2.gz	NEXGIRZAWVCTDS-LJQANCHMSA-N	-2	2	539.542	-0.934	1	5		KBBFLL
O=C([O-])CN1CCN(C[C@@H](Cc2ccc([N+](=O)[O-])cc2)[NH+](CC(=O)[O-])CC(=O)[O-])CC[N@H+](CC(=O)[O-])CC1	ZINC000029052899	561994730	/nfs/dbraw/zinc/99/47/30/561994730.db2.gz	NEXGIRZAWVCTDS-LJQANCHMSA-N	-2	2	539.542	-0.934	1	5		KBBFLL
O=C([O-])CN1CCN(C[C@H](Cc2ccc([N+](=O)[O-])cc2)[NH+](CC(=O)[O-])CC(=O)[O-])CC[N@@H+](CC(=O)[O-])CC1	ZINC000029052904	561994696	/nfs/dbraw/zinc/99/46/96/561994696.db2.gz	NEXGIRZAWVCTDS-IBGZPJMESA-N	-2	2	539.542	-0.934	1	5		KBBFLL
O=C([O-])CN1CCN(C[C@H](Cc2ccc([N+](=O)[O-])cc2)[NH+](CC(=O)[O-])CC(=O)[O-])CC[N@H+](CC(=O)[O-])CC1	ZINC000029052904	561994694	/nfs/dbraw/zinc/99/46/94/561994694.db2.gz	NEXGIRZAWVCTDS-IBGZPJMESA-N	-2	2	539.542	-0.934	1	5		KBBFLL