[
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    "molid": "mol16809",
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    "microspecies": [
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        "smiles": "Cc1cnn(O)c1C[C@@H]([NH3+])C(=O)O",
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        "smiles": "Cc1cnn(O)c1C[C@@H](N)C(=O)[O-]",
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        "smiles": "Cc1cnn([O-])c1C[C@@H](N)C(=O)[O-]",
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        "relative_population": 1.0
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    ],
    "macro_pka_values": [
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        "pka_value": 5.89,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.05,
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      },
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        "pka_value": 2.04999995231628,
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        "data_source": "QSARToolbox"
      },
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        "pka_value": 9.81,
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        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]