[
  {
    "molid": "mol13673",
    "smiles": "O=[N+]([O-])[N-]c1nc[nH]n1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])[N-]c1nc[nH]n1",
        "std_free_energy": -9.334573745727539,
        "relative_population": 0.9988334951380211
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])[N-]c1nc[n-]n1",
        "std_free_energy": 0.4918517768383026,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]