[
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    "molid": "mol37946",
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    "microspecies": [
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        "smiles": "O=S(=O)(O)c1cc(N=Nc2ncc(Br)cc2Br)c(O)c2[nH+]cccc12",
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        "id": "1_14",
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        "smiles": "O=S(=O)(O)c1cc(N=[NH+]c2ncc(Br)cc2Br)c(O)c2ncccc12",
        "std_free_energy": 8.717325210571289,
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        "id": "1_18",
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        "smiles": "O=S(=O)(O)c1cc([NH+]=Nc2ncc(Br)cc2Br)c(O)c2ncccc12",
        "std_free_energy": 8.405670166015625,
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      {
        "id": "1_20",
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        "std_free_energy": 9.489269256591797,
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    "macro_pka_values": [
      {
        "pka_value": 2.21000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]