[
  {
    "molid": "mol35523",
    "smiles": "Nc1ccc(NC(=O)CN2CCCCC2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(NC(=O)CN2CCCCC2)cc1",
        "std_free_energy": -5.352107048034668,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1",
        "std_free_energy": -8.469751358032227,
        "relative_population": 0.9383061164706452
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(NC(=O)CN2CCCCC2)cc1",
        "std_free_energy": -5.7142109870910645,
        "relative_population": 0.05965248903541258
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]