smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCS(=O)(=O)CC1	ZINC001471870464	1069503115	/nfs/dbraw/zinc/50/31/15/1069503115.db2.gz	XKLGPJRWNOBSDE-UHFFFAOYSA-N	-2	1	445.544	0.972	20	10		ICCDML