[
  {
    "molid": "mol26517",
    "smiles": "On1nnc2cc(Br)ccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "On1nnc2cc(Br)ccc21",
        "std_free_energy": -2.8960564136505127,
        "relative_population": 0.9999785067378544
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]n1nnc2cc(Br)ccc21",
        "std_free_energy": -8.790170669555664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.18,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]