[
  {
    "molid": "mol27074",
    "smiles": "CC1C(=O)CC(Cc2ccc(Br)cc2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O",
        "std_free_energy": -4.074038982391357,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[C-]1C(=O)C[C@@H](Cc2ccc(Br)cc2)C1=O",
        "std_free_energy": -4.822927474975586,
        "relative_population": 0.9996165277321902
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.24,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]