[
  {
    "molid": "mol11907",
    "smiles": "O=C(O)c1cc(N=Nc2ccc(Br)cc2)ccc1O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(N=Nc2ccc(Br)cc2)ccc1O",
        "std_free_energy": -11.715025901794434,
        "relative_population": 0.9997169710368063
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(N=Nc2ccc(Br)cc2)ccc1[O-]",
        "std_free_energy": -2.023488759994507,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.45,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]