[
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    "molid": "mol34996",
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        "id": "-2_1",
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        "smiles": "C[C@H]([C@H](C)[NH+](CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]",
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    "macro_pka_values": [
      {
        "pka_value": 2.58999991416931,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]