[
  {
    "molid": "mol22252",
    "smiles": "C/C(CCC(=O)O)=N\\O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C/C(CCC(=O)O)=N\\O",
        "std_free_energy": -4.5280609130859375,
        "relative_population": 0.990042568171707
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C/C(CCC(=O)[O-])=N\\O",
        "std_free_energy": -9.071885108947754,
        "relative_population": 0.9999742823982068
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.64,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]