[
  {
    "molid": "mol35252",
    "smiles": "NCCCCCCNc1ccc([N+](=O)[O-])cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NCCCCCCNc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -1.4241437911987305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CCCCCCNc1ccc([N+](=O)[O-])cc1",
        "std_free_energy": -10.814505577087402,
        "relative_population": 0.9922780360727156
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0799999237061,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]