[
  {
    "molid": "mol12553",
    "smiles": "CC(=O)[C@@H]1C[C@H](C(=O)O)C1(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)[C@@H]1C[C@H](C(=O)O)C1(C)C",
        "std_free_energy": -3.904999256134033,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)[C@@H]1C[C@H](C(=O)[O-])C1(C)C",
        "std_free_energy": -8.341379165649414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]