[
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    "molid": "mol36013",
    "smiles": "Cc1ncc(CNc2ccccc2)c(N)n1",
    "microspecies": [
      {
        "id": "0_1",
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        "smiles": "Cc1ncc(CNc2ccccc2)c([NH3+])n1",
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        "smiles": "Cc1ncc(CNc2ccccc2)c(N)[nH+]1",
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        "id": "1_3",
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        "smiles": "Cc1ncc(C[NH2+]c2ccccc2)c(N)n1",
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        "id": "1_4",
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        "smiles": "Cc1nc(N)c(CNc2ccccc2)c[nH+]1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]