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-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc(F)c2)c1 ZINC000102876441 557395817 /nfs/dbraw/zinc/39/58/17/557395817.db2.gz VUAKDQORFMJGKF-DZICCTRASA-N -2 2 443.430 4.706 50 30 IJEALL