[
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    "smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC1CCCCO1",
    "microspecies": [
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        "smiles": "N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OC[C@H]1CCCCO1",
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        "id": "-1_3",
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    "macro_pka_values": [
      {
        "pka_value": 9.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]