[
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    "molid": "mol32596",
    "smiles": "CSc1nc(N)c2c(ncn2C2OC(CO)C(O)C2O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CSc1nc(N)c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1",
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        "smiles": "CSc1nc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(N)[nH+]1",
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        "id": "1_2",
        "charge": 1,
        "smiles": "CSc1nc(N)c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[OH2+])n1",
        "std_free_energy": 2.8922786712646484,
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        "id": "1_3",
        "charge": 1,
        "smiles": "CSc1nc([NH3+])c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1",
        "std_free_energy": 2.8915774822235107,
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        "id": "1_5",
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        "smiles": "CSc1nc(N)c2c(ncn2[C@@H]2O[C@H](C[OH2+])[C@@H](O)[C@H]2O)n1",
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        "id": "1_6",
        "charge": 1,
        "smiles": "CSc1nc(N)c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[nH+]1",
        "std_free_energy": 2.619377613067627,
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      {
        "id": "1_7",
        "charge": 1,
        "smiles": "CSc1nc(N)c2c(n1)[nH+]cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O",
        "std_free_energy": 2.809295654296875,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0999999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]