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          "molfile": "\n  Marvin  01132100582D          \n\n  6  5  0  0  1  0            999 V2000\n    3.6869   -2.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3978   -3.3850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3978   -4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1173   -2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8282   -3.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5477   -3.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\nM  END",
          "smiles": "CN(C)CCO",
          "formula": "C4H11NO",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
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            "units": "MOL RATIO",
            "uuid": "cfb5749a-6dab-4590-87b7-628c5612a24f"
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          "molfile": "\n  Marvin  01132103242D          \n\n 10  9  0  0  1  0            999 V2000\n    9.3530   -4.7876    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n    9.3530   -3.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6410   -5.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6410   -6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9240   -4.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0700   -5.1994    0.0000 C   0  0  1  0  0  0  0  0  0  1  0  0\n   10.0700   -6.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7820   -4.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7820   -3.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6200   -5.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  6  0  0  0\n  1  3  1  0  0  0  0\n  1  6  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  3  2  0  0  0  0\n  6  7  1  6  0  0  0\n  6  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  8  2  0  0  0  0\nM  END",
          "smiles": "[C@@H]([C@H](C(=O)O)O)(C(=O)O)O",
          "formula": "C4H6O6",
          "atropisomerism": "No",
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          "stereochemistry": "ABSOLUTE",
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            "type": "MOL RATIO",
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            "units": "MOL RATIO",
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          "molecular_weight": "150.087",
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      "definition_level": "COMPLETE",
      "uuid": "1d8638df-4eed-48e2-abb3-e922831b4868",
      "version": "11",
      "structure": {
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        "molfile": "\n  Marvin  01132107362D          \n\n 16 14  0  0  1  0            999 V2000\n    9.3329   -4.7773    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n    9.3329   -3.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0483   -5.1882    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   10.0483   -6.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7588   -4.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7588   -3.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5950   -5.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6224   -5.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6224   -6.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9070   -4.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9635   -3.8204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7755   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5779   -3.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3899   -3.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1611   -3.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9635   -4.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6  5  2  0  0  0  0\n  7  5  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  8  1  0  0  0  0\n  1  2  1  6  0  0  0\n  3  1  1  0  0  0  0\n  3  4  1  6  0  0  0\n  5  3  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 11  1  0  0  0  0\n 16 11  1  0  0  0  0\nM  END",
        "smiles": "CN(C)CCO.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O",
        "formula": "C4H11NO.C4H6O6",
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        "charge": 0,
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        "stereochemistry": "ABSOLUTE",
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        "ez_centers": 0,
        "molecular_weight": "239.2234",
        "optical_activity": "UNSPECIFIED",
        "references": [
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          "e78befb5-2212-4ce0-b86a-889efeb83cf8"
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}