smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)[O-] ZINC000003986851 562931594 /nfs/dbraw/zinc/93/15/94/562931594.db2.gz CNIGFESSDPOCKS-CYBMUJFWSA-N -1 0 454.410 3.524 30 0 JHACRM