[
  {
    "molid": "mol11238",
    "smiles": "O=C(O)C1CC2C=CC1(C(=O)O)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)[C@@H]1C[C@H]2C=C[C@]1(C(=O)O)CC2",
        "std_free_energy": -2.2087769508361816,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)[C@@H]1C[C@H]2C=C[C@]1(C(=O)[O-])CC2",
        "std_free_energy": -8.242311477661133,
        "relative_population": 0.33800029931848463
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H]1C[C@H]2C=C[C@]1(C(=O)O)CC2",
        "std_free_energy": -8.914529800415039,
        "relative_population": 0.6619997006815153
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])[C@@H]1C[C@H]2C=C[C@]1(C(=O)[O-])CC2",
        "std_free_energy": -10.360191345214844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.93,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]