[
  {
    "molid": "mol34569",
    "smiles": "C1CN2CCN(CCCN3CCN(C1)CC3)CC2",
    "microspecies": [
      {
        "id": "3_1",
        "charge": 3,
        "smiles": "C1CN2CC[NH+](CCC[NH+]3CC[NH+](C1)CC3)CC2",
        "std_free_energy": -6.853484630584717,
        "relative_population": 1.0
      },
      {
        "id": "4_1",
        "charge": 4,
        "smiles": "C1C[NH+]2CC[NH+](CCC[NH+]3CC[NH+](C1)CC3)CC2",
        "std_free_energy": -4.478525638580322,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.01999998092651,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]