[
  {
    "molid": "mol30297",
    "smiles": "O=C1OC(O)C(Br)C1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1O[C@@H](O)[C@H](Br)[C@H]1Br",
        "std_free_energy": -5.905403137207031,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1O[C@@H]([O-])[C@H](Br)[C@H]1Br",
        "std_free_energy": 4.997099876403809,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.27,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]