[
  {
    "molid": "mol36505",
    "smiles": "CN1CCN2CCCCCCCN(CC1)CCN(C)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN2CCCCCCCN(CC1)CCN(C)CC2",
        "std_free_energy": -2.4855427742004395,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1CCN2CCCCCCC[NH+](CC1)CCN(C)CC2",
        "std_free_energy": -8.484636306762695,
        "relative_population": 0.5280640499458664
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CCN2CCCCCCCN(CC1)CC[NH+](C)CC2",
        "std_free_energy": -8.372262001037598,
        "relative_population": 0.47193595005413363
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8600001335144,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]