[
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    "molid": "mol25833",
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    "microspecies": [
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        "id": "2_3",
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        "smiles": "Nc1ncc(/[NH+]=[NH+]/c2ccc(Cl)cc2)c(N)n1",
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        "id": "2_4",
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        "id": "2_12",
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        "relative_population": 0.06591765008367337
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        "id": "2_13",
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        "smiles": "Nc1ncc(/N=[NH+]/c2ccc(Cl)cc2)c(N)[nH+]1",
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    "macro_pka_values": [
      {
        "pka_value": 4.93,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]