[
  {
    "molid": "mol14696",
    "smiles": "CO[C@H]1C=CC2=CCN3CC[C@H](CO)C(=CCO)[C@]23C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1C=CC2=CCN3CC[C@H](CO)C(=CCO)[C@]23C1",
        "std_free_energy": -4.864184379577637,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@H]1C=CC2=CC[NH+]3CC[C@H](CO)C(=CCO)[C@]23C1",
        "std_free_energy": -7.478626728057861,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.79,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]