[
  {
    "molid": "mol37810",
    "smiles": "O=C1[C@H]2C[C@H](CN3CCCC[C@H]23)C2=CCCCN12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1[C@H]2C[C@H](CN3CCCC[C@H]23)C2=CCCCN12",
        "std_free_energy": -4.705085754394531,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C1[C@H]2C[C@H](C[NH+]3CCCC[C@H]23)C2=CCCCN12",
        "std_free_energy": -7.8225626945495605,
        "relative_population": 0.9969481728572853
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]