[
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    "molid": "mol35800",
    "smiles": "Cc1cccc(CNCCSSCCNCc2ncccc2C)n1",
    "microspecies": [
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        "smiles": "Cc1cccc(CNCCSSCC[NH2+]Cc2[nH+]cccc2C)[nH+]1",
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        "smiles": "Cc1cccc(C[NH2+]CCSSCCNCc2[nH+]cccc2C)[nH+]1",
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        "smiles": "Cc1cccc(C[NH2+]CCSSCC[NH2+]Cc2[nH+]cccc2C)[nH+]1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.16000008583069,
        "charge_state_pre": 4,
        "charge_state_post": 3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]