[
  {
    "molid": "mol36506",
    "smiles": "CN1CCN2CCCCN(CC1)CCN(C)CC2",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1CCN2CCCCN(CC1)CC[NH+](C)CC2",
        "std_free_energy": -7.9191203117370605,
        "relative_population": 0.32450678807357625
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CCN2CCCC[NH+](CC1)CCN(C)CC2",
        "std_free_energy": -8.652256965637207,
        "relative_population": 0.6754932119264239
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH+]1CCN2CCCCN(CC1)CC[NH+](C)CC2",
        "std_free_energy": -12.001741409301758,
        "relative_population": 0.7141764614805308
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "CN1CC[NH+]2CCCC[NH+](CC1)CCN(C)CC2",
        "std_free_energy": -11.037464141845703,
        "relative_population": 0.27228595229624325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.80000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]