[
  {
    "molid": "mol10825",
    "smiles": "O=[N+]([O-])c1ccc(P(=O)(O)OCC(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc([P@@](=O)(O)OCC(F)(F)F)cc1",
        "std_free_energy": -0.6659156084060669,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([P@@](=O)([O-])OCC(F)(F)F)cc1",
        "std_free_energy": -12.470196723937988,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]