smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C/C(=C\c2ccc([O-])c(Br)c2)C(=O)/C(=C/c2ccc([O-])c(Br)c2)C1 ZINC000029051805 563093062 /nfs/dbraw/zinc/09/30/62/563093062.db2.gz ZRUNGEBRUZSURT-MKFXEVHTSA-N -2 3 479.168 4.604 20 30 JJEDHL