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]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000771404438	1079324847	/nfs/dbraw/zinc/32/48/47/1079324847.db2.gz	JBFRSNQCTIBNEF-QWHCGFSZSA-N	-2	2	409.533	2.419	20	10		HECDLL
C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O	ZINC000771404439	1079324710	/nfs/dbraw/zinc/32/47/10/1079324710.db2.gz	JBFRSNQCTIBNEF-STQMWFEESA-N	-2	2	409.533	2.419	20	10		HECDLL
C[C@@H]1[C@H](C)N(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC[N@@H+]1C	ZINC000771404437	1079324733	/nfs/dbraw/zinc/32/47/33/1079324733.db2.gz	JBFRSNQCTIBNEF-OLZOCXBDSA-N	-2	2	409.533	2.419	20	10		HECDLL