[
  {
    "molid": "mol28056",
    "smiles": "N=C(NCc1ccccc1)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(NCc1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -5.88429594039917,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[N-]=C(NCc1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -1.2378888130187988,
        "relative_population": 0.08187588994105888
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])NCc1ccccc1",
        "std_free_energy": -3.6538589000701904,
        "relative_population": 0.9170616044789698
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]