[
  {
    "molid": "mol22302",
    "smiles": "CC(C)C/C(=N/O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C/C(=N/O)C(=O)O",
        "std_free_energy": -4.017592430114746,
        "relative_population": 0.9943074142783415
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)C/C(=N/O)C(=O)[O-]",
        "std_free_energy": -10.347752571105957,
        "relative_population": 0.9998829990726077
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]