[
  {
    "molid": "mol24655",
    "smiles": "C1CCN2CC3C[C@H](C[N@@]4CCCCC34)C2C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1",
        "std_free_energy": 1.2647199630737305,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CCN2C[C@H]3C[C@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1",
        "std_free_energy": -9.565025329589844,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]