[
  {
    "molid": "mol35942",
    "smiles": "O=[N+]([O-])c1nnn(Cc2nnn[nH]2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1nnn(Cc2nnn[nH]2)n1",
        "std_free_energy": -1.9630892276763916,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1nnn(Cc2nnn[n-]2)n1",
        "std_free_energy": -10.653512001037598,
        "relative_population": 0.9975829742798774
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.63000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]