[
  {
    "molid": "mol22322",
    "smiles": "O=C1C[C@@]2(C(=O)O)CCC[C@H]2O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@@]2(C(=O)O)CCC[C@H]2O1",
        "std_free_energy": -2.5106701850891113,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C[C@@]2(C(=O)[O-])CCC[C@H]2O1",
        "std_free_energy": -9.645268440246582,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.99,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]