[
  {
    "molid": "mol27844",
    "smiles": "[O-][N+](O)=C(CO)CO",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-][N+](O)=C(CO)CO",
        "std_free_energy": -5.7667717933654785,
        "relative_population": 0.9999875034394273
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "[O-][N+]([O-])=C(CO)CO",
        "std_free_energy": -7.429084300994873,
        "relative_population": 0.9999596383923997
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.26999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]