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-])CN(CC(=O)[O-])Cc1cc(O)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000022113368	558463682	/nfs/dbraw/zinc/46/36/82/558463682.db2.gz	IRPULSRJFOAXJP-UHFFFAOYSA-N	-4	3	400.340	-0.960	40	10		HBCBHL
O=C([O-])CN(CC(=O)[O-])Cc1cc(O)cc(CN(CC(=O)[O-])CC(=O)[O-])c1[O-]	ZINC000022113368	558463678	/nfs/dbraw/zinc/46/36/78/558463678.db2.gz	IRPULSRJFOAXJP-UHFFFAOYSA-N	-5	3	400.340	-0.960	40	10		HBCBHL