[
  {
    "molid": "mol27047",
    "smiles": "CC1(C)CC(=O)C(NC(=O)c2ccccc2)=C(O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1(C)CC(=O)C(NC(=O)c2ccccc2)=C(O)C1",
        "std_free_energy": -3.8048737049102783,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)CC(=O)C(NC(=O)c2ccccc2)=C([O-])C1",
        "std_free_energy": -6.602294445037842,
        "relative_population": 0.9989593156491897
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]