[
  {
    "molid": "mol23144",
    "smiles": "O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O",
        "std_free_energy": 1.2278751134872437,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1O",
        "std_free_energy": -9.971015930175781,
        "relative_population": 0.9504355570436835
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1[O-]",
        "std_free_energy": -9.056713104248047,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.96000003814697,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.96,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]