smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1	ZINC000568867381	482889507	/nfs/dbraw/zinc/88/95/07/482889507.db2.gz	VHRGVDJOXOAQQG-LLVKDONJSA-N	2	2	371.419	-1.026	20	5		FABDLP
C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1	ZINC000568867381	482889495	/nfs/dbraw/zinc/88/94/95/482889495.db2.gz	VHRGVDJOXOAQQG-LLVKDONJSA-N	2	2	371.419	-1.026	20	5		FABDLP
C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1	ZINC000568867382	482889616	/nfs/dbraw/zinc/88/96/16/482889616.db2.gz	VHRGVDJOXOAQQG-NSHDSACASA-N	2	2	371.419	-1.026	20	5		FABDLP
C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1	ZINC000568867382	482889609	/nfs/dbraw/zinc/88/96/09/482889609.db2.gz	VHRGVDJOXOAQQG-NSHDSACASA-N	2	2	371.419	-1.026	20	5		FABDLP