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-])CCc1c2ccccc2c(CCC(=O)[O-])c2ccccc21 ZINC000000393260 180776104 /nfs/dbraw/zinc/77/61/04/180776104.db2.gz PHRHANASDXMZLU-UHFFFAOYSA-N -2 0 322.360 4.027 50 5 DIBARL