[
  {
    "molid": "mol12164",
    "smiles": "O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(N=Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1O",
        "std_free_energy": -11.654128074645996,
        "relative_population": 0.9982162291847901
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(N=Nc2cccc([N+](=O)[O-])c2)c2ccccc2c1[O-]",
        "std_free_energy": -3.313204765319824,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.84,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]