[
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    "molid": "mol14984",
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        "id": "0_3",
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        "id": "-1_1",
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        "smiles": "Nc1c(C(=O)[O-])ncn1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
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        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]