[
  {
    "molid": "mol27065",
    "smiles": "O=C1CCC(=O)C1Cc1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC(=O)C1Cc1ccc(Br)cc1",
        "std_free_energy": -5.705724716186523,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CCC(=O)[C-]1Cc1ccc(Br)cc1",
        "std_free_energy": 3.455486536026001,
        "relative_population": 0.08835166288386756
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[CH-]CC(=O)C1Cc1ccc(Br)cc1",
        "std_free_energy": 1.1215572357177734,
        "relative_population": 0.9116483371161325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]