[
  {
    "molid": "mol21254",
    "smiles": "O=C1CCC(O)=C1Cc1ccc(Br)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CCC(O)=C1Cc1ccc(Br)cc1",
        "std_free_energy": -3.646498203277588,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CCC([O-])=C1Cc1ccc(Br)cc1",
        "std_free_energy": -4.634373664855957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.2,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]