[
  {
    "molid": "mol36242",
    "smiles": "CN(C)CCN(C)CCN(C)CCN(C)CCN(C)C",
    "microspecies": [
      {
        "id": "4_2",
        "charge": 4,
        "smiles": "CN(CC[NH+](C)CC[NH+](C)C)CC[NH+](C)CC[NH+](C)C",
        "std_free_energy": -11.211690902709961,
        "relative_population": 0.09219367202725057
      },
      {
        "id": "4_3",
        "charge": 4,
        "smiles": "CN(CC[NH+](C)C)CC[NH+](C)CC[NH+](C)CC[NH+](C)C",
        "std_free_energy": -13.49709415435791,
        "relative_population": 0.9062314588368278
      },
      {
        "id": "5_1",
        "charge": 5,
        "smiles": "C[NH+](C)CC[NH+](C)CC[NH+](C)CC[NH+](C)CC[NH+](C)C",
        "std_free_energy": -4.906641483306885,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.11999988555908,
        "charge_state_pre": 5,
        "charge_state_post": 4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]