[
  {
    "molid": "mol30526",
    "smiles": "CC1=CC(=O)C(C)=C(O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC(=O)C(C)=C(O)C1=O",
        "std_free_energy": -2.170405387878418,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C1=CC(=O)C(C)=C(O)C1=O",
        "std_free_energy": -3.850459575653076,
        "relative_population": 0.050971466350776144
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC1=CC(=O)C(C)=C([O-])C1=O",
        "std_free_energy": -6.747293472290039,
        "relative_population": 0.923434516784073
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]