[
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    "molid": "mol37947",
    "smiles": "O=S(=O)(O)c1cc(N=Nc2ncc(Cl)cc2Cl)c(O)c2ncccc12",
    "microspecies": [
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        "smiles": "O=S(=O)([O-])c1cc(N=Nc2ncc(Cl)cc2Cl)c(O)c2[nH+]cccc12",
        "std_free_energy": 1.307449460029602,
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        "id": "0_6",
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        "smiles": "O=S(=O)(O)c1cc(N=Nc2ncc(Cl)cc2Cl)c(O)c2ncccc12",
        "std_free_energy": 0.010169640183448792,
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        "id": "1_6",
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        "smiles": "O=S(=O)(O)c1cc(N=[NH+]c2ncc(Cl)cc2Cl)c(O)c2ncccc12",
        "std_free_energy": 8.791909217834473,
        "relative_population": 0.21693764268871527
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        "id": "1_9",
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        "smiles": "O=S(=O)(O)c1cc([NH+]=Nc2ncc(Cl)cc2Cl)c(O)c2ncccc12",
        "std_free_energy": 8.535772323608398,
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        "id": "1_17",
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        "std_free_energy": 8.560798645019531,
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      {
        "id": "1_18",
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        "smiles": "O=S(=O)(O)c1cc(N=Nc2[nH+]cc(Cl)cc2Cl)c(O)c2ncccc12",
        "std_free_energy": 9.115321159362793,
        "relative_population": 0.1569924962836702
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]