[
  {
    "molid": "mol7822",
    "smiles": "O=[N+]([O-])c1cnc2cccnc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cnc2cccnc2c1",
        "std_free_energy": -7.801522731781006,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1cnc2ccc[nH+]c2c1",
        "std_free_energy": 2.0263190269470215,
        "relative_population": 0.6928660792875041
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1c[nH+]c2cccnc2c1",
        "std_free_energy": 2.839871883392334,
        "relative_population": 0.307133920712496
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]