[
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    "molid": "mol25662",
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    "microspecies": [
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        "id": "-2_3",
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        "id": "-2_4",
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        "id": "-2_5",
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        "id": "-2_6",
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        "smiles": "Cc1ncc(C[n+]2c([C-](O)c3ccccc3)sc(CC[O-])c2C)c([O-])n1",
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      {
        "id": "-2_7",
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        "smiles": "Cc1ncc([CH-][n+]2c([C@H]([O-])c3ccccc3)sc(CCO)c2C)c([O-])n1",
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        "id": "-2_9",
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      {
        "id": "-2_10",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 15.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]