[
  {
    "molid": "mol32652",
    "smiles": "COC1CC=C2CCN3CCC(CO)C(=CCO)C23C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1CC=C2CCN3CC[C@@H](CO)C(=CCO)[C@]23C1",
        "std_free_energy": -3.878267526626587,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CO[C@H]1CC=C2CC[NH+]3CC[C@@H](CO)C(=CCO)[C@]23C1",
        "std_free_energy": -8.60030746459961,
        "relative_population": 0.9956372611271462
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.4200001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]