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)N2CCN(Cc3c([O-])c(CN4CCCCC4)coc3=O)CC2)cc1	ZINC000218463989	569883384	/nfs/dbraw/zinc/88/33/84/569883384.db2.gz	NWFQATOGDOBDJP-UHFFFAOYSA-N	-1	3	477.583	1.846	50	70		JDIAHM
CS(=O)(=O)N1CCN(Cc2c([O-])occ(CN3CCN(c4ccc(Cl)cc4)CC3)c2=O)CC1	ZINC000218423932	569883351	/nfs/dbraw/zinc/88/33/51/569883351.db2.gz	YLLFCUKKLYFEQR-UHFFFAOYSA-N	-1	3	497.017	1.398	50	70		JDIAHM
CS(=O)(=O)N1CCN(Cc2c([O-])c(CN3CCN(c4ccc(Cl)cc4)CC3)coc2=O)CC1	ZINC000218423932	569883352	/nfs/dbraw/zinc/88/33/52/569883352.db2.gz	YLLFCUKKLYFEQR-UHFFFAOYSA-N	-1	3	497.017	1.398	50	70		JDIAHM