[
  {
    "molid": "mol11255",
    "smiles": "CC1(C)C(CC(=O)O)CC1CC(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)[C@H](CC(=O)O)C[C@H]1CC(=O)O",
        "std_free_energy": -2.6032462120056152,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)[C@H](CC(=O)[O-])C[C@H]1CC(=O)O",
        "std_free_energy": -8.120606422424316,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1(C)[C@H](CC(=O)[O-])C[C@H]1CC(=O)[O-]",
        "std_free_energy": -9.516672134399414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.49,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.58,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]