[
  {
    "molid": "mol22592",
    "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": 1.3906886577606201,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])/C=C(/Br)C(=O)O",
        "std_free_energy": -8.32958984375,
        "relative_population": 0.2931030586098287
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)/C=C(/Br)C(=O)[O-]",
        "std_free_energy": -9.20995044708252,
        "relative_population": 0.7068969413901712
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=C(/Br)C(=O)[O-]",
        "std_free_energy": -14.086954116821289,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.45,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.62,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]