[
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    "molid": "mol19961",
    "smiles": "CN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1",
    "microspecies": [
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        "smiles": "CN[C@@H]1CC[NH+](c2cc(CC(F)(F)F)nc(N)n2)C1",
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        "smiles": "C[NH2+][C@@H]1CCN(c2cc(CC(F)(F)F)[nH+]c(N)n2)C1",
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    "macro_pka_values": [
      {
        "pka_value": 5.4,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]