smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2cc([N+](=O)[O-])cc([C@H](NCc3ccco3)[P@@](=O)([O-])O)c2[nH]c1=O ZINC000013440483 221268109 /nfs/dbraw/zinc/26/81/09/221268109.db2.gz NODYQEOCEWHVKQ-CQSZACIVSA-N -1 1 396.252 1.508 1 5 GDBFMM [NH3+][C@@H](Cc1cc(-c2ccccc2)cc(C[P@](=O)([O-])O)c1[N+](=O)[O-])C(=O)[O-] ZINC000013741484 221287337 /nfs/dbraw/zinc/28/73/37/221287337.db2.gz FJDODAARIMBISM-AWEZNQCLSA-N -1 1 380.293 1.894 1 5 GDBFMM