[
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    "molid": "mol32169",
    "smiles": "CN1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)C6O)c4O[C@H]2[C@@H](O)C=CC3[C@H]1C5",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+]1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5",
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        "smiles": "C[NH+]1CC[C@]23c4c5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]6O)c4O[C@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5",
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        "id": "-1_2",
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    ],
    "macro_pka_values": [
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        "pka_value": 8.21,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.87,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]