[
  {
    "molid": "mol22527",
    "smiles": "O=C(O)/C=C/CC(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)/C=C/CC(=O)[O-]",
        "std_free_energy": -8.60037612915039,
        "relative_population": 0.5895435273511174
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C=C/CC(=O)O",
        "std_free_energy": -8.238297462463379,
        "relative_population": 0.4104564726488826
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=C/CC(=O)[O-]",
        "std_free_energy": -11.530952453613281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]