[
  {
    "molid": "mol9240",
    "smiles": "NCCCC([N+](=O)[O-])[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCCC([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -1.9385228157043457,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCCC([N+](=O)[O-])[N+](=O)[O-]",
        "std_free_energy": -8.214064598083496,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]