[
  {
    "molid": "mol22593",
    "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": 2.087505340576172,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)/C=C(\\Br)C(=O)[O-]",
        "std_free_energy": -8.31287956237793,
        "relative_population": 0.651636571284011
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C=C(\\Br)C(=O)O",
        "std_free_energy": -7.686638832092285,
        "relative_population": 0.348363428715989
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=C(\\Br)C(=O)[O-]",
        "std_free_energy": -14.279667854309082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.57,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]