smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000408936693 570687241 /nfs/dbraw/zinc/68/72/41/570687241.db2.gz HERGBBIZINMWQQ-FOWTUZBSSA-N -1 2 390.351 2.063 40 30 GEEBLM