[
  {
    "molid": "mol38586",
    "smiles": "O=C(O)CC(Br)(Br)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CC(Br)(Br)C(=O)O",
        "std_free_energy": 0.4150656759738922,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CC(Br)(Br)C(=O)O",
        "std_free_energy": -7.915670394897461,
        "relative_population": 0.3154791021370123
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)CC(Br)(Br)C(=O)[O-]",
        "std_free_energy": -8.69029712677002,
        "relative_population": 0.6845208978629876
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.48000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]