smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1Br	ZINC000218014554	569882444	/nfs/dbraw/zinc/88/24/44/569882444.db2.gz	PYHAHWRODGUMJK-UHFFFAOYSA-N	-1	1	455.555	4.674	40	70		JJIBMM