[
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    "molid": "mol17839",
    "smiles": "CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1",
    "microspecies": [
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        "smiles": "CCc1cc(N2CC[C@@H](NC)C2)nc(N)[nH+]1",
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        "smiles": "CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)n1",
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        "smiles": "CCc1cc(N2CC[C@@H](NC)C2)nc([NH3+])n1",
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        "smiles": "CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc(N)[nH+]1",
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        "id": "2_9",
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        "smiles": "CCc1cc(N2CC[C@@H]([NH2+]C)C2)nc([NH3+])n1",
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    "macro_pka_values": [
      {
        "pka_value": 6.3,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.5,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]