[
  {
    "molid": "mol21252",
    "smiles": "O=C1C=C(O)CC1Cc1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=C(O)C[C@@H]1Cc1ccc(Br)cc1",
        "std_free_energy": -3.6117160320281982,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=C([O-])C[C@@H]1Cc1ccc(Br)cc1",
        "std_free_energy": -5.141583442687988,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.96,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]