[
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    "molid": "mol13465",
    "smiles": "ON=C1C=C/C(=N\\O)c2cccnc21",
    "microspecies": [
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        "smiles": "ON=C1C=C/C(=[NH+]\\O)c2cccnc21",
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        "relative_population": 0.1627482583724647
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        "id": "1_3",
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        "id": "-1_1",
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        "std_free_energy": 0.29952317476272583,
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        "id": "-1_2",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.7,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]