[
  {
    "molid": "mol36511",
    "smiles": "CN1CCN2CCN(C)Cc3cc(cc(c3)CN(C)CC2)C1",
    "microspecies": [
      {
        "id": "3_2",
        "charge": 3,
        "smiles": "C[NH+]1CCN2CC[NH+](C)Cc3cc(cc(c3)C[NH+](C)CC2)C1",
        "std_free_energy": -13.35942554473877,
        "relative_population": 0.9990683524884227
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "C[NH+]1CC[NH+]2CC[NH+](C)Cc3cc(cc(c3)C[NH+](C)CC2)C1",
        "std_free_energy": -2.605140447616577,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11999988555908,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]