[
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        "smiles": "COc1cc2c(cc1[O-])[C@@H]1Cc3cc(O)c(OC)cc3[C@H](C2)[NH+]1C",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]