[
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    "smiles": "O=S(=O)(O)Cc1ccc(CN(CCN(Cc2ccccn2)Cc2ccccn2)Cc2ccccn2)cc1",
    "microspecies": [
      {
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        "id": "2_12",
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        "id": "3_1",
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        "id": "3_6",
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        "std_free_energy": 4.636458396911621,
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      {
        "id": "3_9",
        "charge": 3,
        "smiles": "O=S(=O)([O-])Cc1ccc(C[NH+](CC[NH+](Cc2cccc[nH+]2)Cc2cccc[nH+]2)Cc2ccccn2)cc1",
        "std_free_energy": 2.368807315826416,
        "relative_population": 0.5304784417566277
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.85999989509583,
        "charge_state_pre": 3,
        "charge_state_post": 2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]