[
  {
    "molid": "mol33855",
    "smiles": "CN(C)CCCCN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCCCN",
        "std_free_energy": 0.6919499039649963,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCCCN",
        "std_free_energy": -7.1919097900390625,
        "relative_population": 0.2958605234607688
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)CCCC[NH3+]",
        "std_free_energy": -8.058998107910156,
        "relative_population": 0.7041394765392313
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1700000762939,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]