[
  {
    "molid": "mol38574",
    "smiles": "O=C(O)C=C(Br)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C=C(Br)C(=O)O",
        "std_free_energy": 2.0875067710876465,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C=C(Br)C(=O)[O-]",
        "std_free_energy": -9.20995044708252,
        "relative_population": 0.7024435537882922
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C=C(Br)C(=O)O",
        "std_free_energy": -8.35098934173584,
        "relative_population": 0.2975564462117079
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.45000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 1.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]