[
  {
    "molid": "mol31336",
    "smiles": "N#CCOO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "N#CCOO",
        "std_free_energy": -6.273409843444824,
        "relative_population": 0.9999997861739519
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#CCO[O-]",
        "std_free_energy": 3.8096072673797607,
        "relative_population": 0.9978532403020124
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]