[
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    "microspecies": [
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        "id": "1_7",
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        "smiles": "c1ccc(CN2CCC(Nc3[nH+]c(N4CCN(c5ccccn5)CC4)nc4ccccc34)CC2)cc1",
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    "macro_pka_values": [
      {
        "pka_value": 8.03,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]