[
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    "microspecies": [
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        "smiles": "Cc1ccc(S(=O)(=O)[NH2+]CC[NH+](CC(=O)[O-])CC(=O)[O-])cc1",
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    ],
    "macro_pka_values": [
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        "pka_value": 2.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.1500001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
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        "pka_value": 2.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
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        "pka_value": 7.86,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]