[
  {
    "molid": "mol11110",
    "smiles": "O=C(O)c1cc2cc(Br)ccc2[nH]1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc2cc(Br)ccc2[nH]1",
        "std_free_energy": -10.366064071655273,
        "relative_population": 0.9999767928462081
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc2cc(Br)ccc2[n-]1",
        "std_free_energy": 5.850515365600586,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 16.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]