[
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    "molid": "mol32535",
    "smiles": "CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5O",
    "microspecies": [
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        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+]1CC[C@@]23c4c5ccc([O-])c4O[C@H]2[C@H](O)C=C[C@H]3[C@@H]1[C@@H]5O",
        "std_free_energy": -3.3295042514801025,
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        "id": "0_2",
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        "smiles": "CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@H]3[C@@H]1[C@@H]5O",
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        "id": "1_1",
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        "smiles": "C[NH+]1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@H]3[C@@H]1[C@@H]5O",
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        "id": "-1_1",
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        "smiles": "CN1CC[C@@]23c4c5ccc([O-])c4O[C@H]2[C@H](O)C=C[C@H]3[C@@H]1[C@@H]5O",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.0600004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.1300001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]