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-])COc1ccccc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000409320036 447683728 /nfs/dbraw/zinc/68/37/28/447683728.db2.gz BAYGYFKJAXFXDZ-WAYWQWQTSA-N -1 2 333.256 1.430 40 5 EDBBLM