[
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    "molid": "mol15217",
    "smiles": "COc1ccc(O)c(/N=N/c2nc(C)cs2)c1",
    "microspecies": [
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        "id": "-1_1",
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        "smiles": "COc1ccc([O-])c(/N=N/c2nc(C)cs2)c1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 7.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 0.77,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]