[
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    "microspecies": [
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        "smiles": "Nc1cc(N2CC[NH2+]CC2)cc(NC2CCCC2)[nH+]1",
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    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]