[
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    "molid": "mol12696",
    "smiles": "CC(=NO)c1ccc(O)cc1O",
    "microspecies": [
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        "smiles": "CC(=NO)c1ccc(O)cc1[O-]",
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        "relative_population": 0.2679202944165977
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.35,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.0349998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.35000038146973,
        "charge_state_pre": 0,
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.72,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]