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-])CCSC(=S)[N-]c1ccccc1 ZINC000006095666 385058709 /nfs/dbraw/zinc/05/87/09/385058709.db2.gz SQMXIYKGSSMYER-UHFFFAOYSA-N -2 0 241.337 2.812 40 30 BFEBRL C=CCCCCCC/C(=C/CC(=O)[O-])C(=O)[O-] ZINC000514287737 384401307 /nfs/dbraw/zinc/40/13/07/384401307.db2.gz IQDBNCDDNJCNDB-LUAWRHEFSA-N -2 0 240.299 2.999 40 30 biogenic,in-vitro BFEBRL