[
  {
    "molid": "mol22301",
    "smiles": "CCCC/C(=N/O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC/C(=N/O)C(=O)O",
        "std_free_energy": -3.9940710067749023,
        "relative_population": 0.9959373912094615
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC/C(=N/O)C(=O)[O-]",
        "std_free_energy": -10.231023788452148,
        "relative_population": 0.9998636716808047
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]