smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(CO)ONC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857283432 588902344 /nfs/dbraw/zinc/90/23/44/588902344.db2.gz GJPOFCWSNOEBDN-PHDIDXHHSA-N -1 2 218.209 -0.530 20 5 BBBDLM