[
  {
    "molid": "mol7672",
    "smiles": "CC(CNn1cnnc1)([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(CNn1cnnc1)([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -6.299654006958008,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(CNn1cn[nH+]c1)([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": 6.222125053405762,
        "relative_population": 0.20877748784224887
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C[NH2+]n1cnnc1)([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": 4.889814853668213,
        "relative_population": 0.7912225121577511
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]