[
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    "molid": "mol37316",
    "smiles": "O[C@H]1[C@H]2O[C@H]2c2c(ccc3nc4ccc5ccccc5c4cc23)[C@@H]1O",
    "microspecies": [
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        "id": "0_1",
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        "smiles": "O[C@H]1[C@H]2O[C@H]2c2c(ccc3nc4ccc5ccccc5c4cc23)[C@@H]1O",
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        "smiles": "O[C@H]1c2ccc3nc4ccc5ccccc5c4cc3c2[C@@H]2O[C@@H]2[C@@H]1[OH2+]",
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        "id": "1_3",
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        "smiles": "O[C@H]1[C@H]2O[C@H]2c2c(ccc3[nH+]c4ccc5ccccc5c4cc23)[C@@H]1O",
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    "macro_pka_values": [
      {
        "pka_value": 4.42000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]