[
  {
    "molid": "mol12483",
    "smiles": "O=[N+]([O-])C(CO)CO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])C(CO)CO",
        "std_free_energy": -7.736377716064453,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])[C-](CO)CO",
        "std_free_energy": -1.7041316032409668,
        "relative_population": 0.9999608375960983
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.07,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.0699997,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.06999969482422,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]