[
  {
    "molid": "mol6605",
    "smiles": "O=[N+]([O-])c1c(Cl)c[n+]([O-])cc1Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1c(Cl)c[n+]([O-])cc1Cl",
        "std_free_energy": -3.646725654602051,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1c(Cl)c[n+](O)cc1Cl",
        "std_free_energy": 13.425912857055664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]