[
  {
    "molid": "mol31388",
    "smiles": "CC(C)C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)C(=O)NO",
        "std_free_energy": -7.123715400695801,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)C(=O)[N-]O",
        "std_free_energy": 1.0310553312301636,
        "relative_population": 0.3342405881951701
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)C(=O)N[O-]",
        "std_free_energy": 0.3419880270957947,
        "relative_population": 0.6657594118048299
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]