[
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    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1O[C@H](O[C@H]2CC[C@H](n3ccc(N)nc3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1N(C)C",
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        "smiles": "C[C@H]1O[C@H](O[C@H]2CC[C@H](n3ccc([NH3+])nc3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1N(C)C",
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        "id": "1_3",
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    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]