[
  {
    "molid": "mol13007",
    "smiles": "O=C1C(=NO)CC/C1=N\\O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C(=NO)CC/C1=N\\[O-]",
        "std_free_energy": -3.2004342079162598,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C(=N[O-])CC/C1=N\\[O-]",
        "std_free_energy": 7.268441200256348,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.95,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]