[
  {
    "molid": "mol30565",
    "smiles": "CC1=C(C)C(=O)C(O)=C(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(C)C(=O)C(O)=C(C)C1=O",
        "std_free_energy": -2.6842637062072754,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=C(C)C(=O)C([O-])=C(C)C1=O",
        "std_free_energy": -5.910181045532227,
        "relative_population": 0.8565595768118902
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[CH2-]C1=C(O)C(=O)C(C)=C(C)C1=O",
        "std_free_energy": -3.3256123065948486,
        "relative_population": 0.06460909141450305
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]