smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C)n1-c1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000045393596 208333103 /nfs/dbraw/zinc/33/31/03/208333103.db2.gz LAEBYYZZAGMFCM-KPKJPENVSA-N -2 0 361.397 4.557 1 10 FJCFRL