smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000016449384	556608991	/nfs/dbraw/zinc/60/89/91/556608991.db2.gz	OCEIONHNTLUMPK-UHFFFAOYSA-N	-3	1	434.455	1.776	40	0		IDABML
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CC2(C[C@H]1C(=O)[O-])SCCS2	ZINC000004217460	555976725	/nfs/dbraw/zinc/97/67/25/555976725.db2.gz	FMMDBLMCSDRUPA-BPUTZDHNSA-N	-2	1	438.571	1.912	40	0	in-man	IDABML
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1	ZINC000016321112	556600318	/nfs/dbraw/zinc/60/03/18/556600318.db2.gz	XQJAPABJEAZQFV-FZKQIMNGSA-N	-2	1	428.532	1.649	40	0		IDABML
CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1	ZINC000016321110	556600325	/nfs/dbraw/zinc/60/03/25/556600325.db2.gz	XQJAPABJEAZQFV-UGSOOPFHSA-N	-2	1	428.532	1.649	40	0		IDABML
O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2c(c1)OCCO2	ZINC000020110607	556985316	/nfs/dbraw/zinc/98/53/16/556985316.db2.gz	QZLIWMCAVBAZOQ-UHFFFAOYSA-N	-2	1	448.482	1.849	40	0		IDABML