[
  {
    "molid": "mol9557",
    "smiles": "O=C1CCC(C(=O)O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC[C@@H](C(=O)O)C1",
        "std_free_energy": -3.0353705883026123,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CC[C@@H](C(=O)[O-])C1",
        "std_free_energy": -9.1732177734375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]