[
  {
    "molid": "mol33794",
    "smiles": "CC1=C(CCC(=O)O)C(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(CCC(=O)O)C(=O)NC1=O",
        "std_free_energy": -4.036943435668945,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=C(CCC(=O)[O-])C(=O)NC1=O",
        "std_free_energy": -9.131455421447754,
        "relative_population": 0.9999055113461076
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.53000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]