[
  {
    "molid": "mol30883",
    "smiles": "O=C(O)c1cc(/N=N/c2cccc([N+](=O)[O-])c2)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(/N=N/c2cccc([N+](=O)[O-])c2)ccc1O",
        "std_free_energy": -11.952657699584961,
        "relative_population": 0.9997592772683506
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(/N=N/c2cccc([N+](=O)[O-])c2)ccc1[O-]",
        "std_free_energy": -2.203895092010498,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6499996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.09,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]