smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2oc3c(OC)c([O-])c(OC)c([O-])c3c(=O)c2OC)cc(OC)c1OC	ZINC000001614085	562923090	/nfs/dbraw/zinc/92/30/90/562923090.db2.gz	QXRNWRWFNALYGH-UHFFFAOYSA-N	-2	3	434.397	2.923	10	0		IFAEHL
O=S(=O)([O-])c1ccc(C(c2ccc(S(=O)(=O)[O-])cc2)=C2CN3CCC2CC3)cc1	ZINC000003171384	555893907	/nfs/dbraw/zinc/89/39/07/555893907.db2.gz	LHKKUOWRHGMPOX-UHFFFAOYSA-N	-2	3	435.523	2.708	10	0		IFAEHL
O=C(CCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-])[N-]C(=O)OCc1ccccc1	ZINC000038600567	556615066	/nfs/dbraw/zinc/61/50/66/556615066.db2.gz	JBZGUCKHGQNWDY-SFHVURJKSA-N	-2	3	428.441	2.989	10	0	in-vitro	IFAEHL