[
  {
    "molid": "mol36507",
    "smiles": "CN1CCN2CCCOCCCN(CC1)CCN(C)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN2CCCOCCCN(CC1)CCN(C)CC2",
        "std_free_energy": -2.41563081741333,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1CCN2CCCOCCC[NH+](CC1)CCN(C)CC2",
        "std_free_energy": -8.229194641113281,
        "relative_population": 0.5091308931844258
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1CCN2CCCOCCCN(CC1)CC[NH+](C)CC2",
        "std_free_energy": -8.192667007446289,
        "relative_population": 0.4908691068155741
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.210000038147,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]