smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)c1nccs1	ZINC000012354884	204399939	/nfs/dbraw/zinc/39/99/39/204399939.db2.gz	CUDXSHIKWVJPHQ-SNVBAGLBSA-N	2	2	381.462	-1.494	1	0		GAAFLP
[NH3+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	ZINC000084654039	205396913	/nfs/dbraw/zinc/39/69/13/205396913.db2.gz	RJMZKCMRTSJNMX-UWVGGRQHSA-N	2	2	389.325	-2.313	1	0		GAAFLP
[NH3+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]	ZINC000084654039	205396909	/nfs/dbraw/zinc/39/69/09/205396909.db2.gz	RJMZKCMRTSJNMX-UWVGGRQHSA-N	2	2	389.325	-2.313	1	0		GAAFLP
[NH3+]CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]	ZINC000084669037	222320008	/nfs/dbraw/zinc/32/00/08/222320008.db2.gz	RJMZKCMRTSJNMX-ZJUUUORDSA-N	2	2	389.325	-2.313	1	0		GAAFLP
[NH3+]CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-]	ZINC000084669037	222320005	/nfs/dbraw/zinc/32/00/05/222320005.db2.gz	RJMZKCMRTSJNMX-ZJUUUORDSA-N	2	2	389.325	-2.313	1	0		GAAFLP