[
  {
    "molid": "mol32725",
    "smiles": "OCC1=CCN2CCC(O)C12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCC1=CCN2CC[C@@H](O)[C@H]12",
        "std_free_energy": -3.5240371227264404,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OCC1=CC[NH+]2CC[C@@H](O)[C@H]12",
        "std_free_energy": -8.816431999206543,
        "relative_population": 0.9980095932721389
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9200001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]