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          "smiles": "CC/C=C\\CCO",
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          "count": 1,
          "stereochemistry": "ACHIRAL",
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            "units": "MOL RATIO",
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          "molecular_weight": "100.1591",
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        "molfile": "\n  Marvin  01132105562D          \n\n  7  6  0  0  0  0            999 V2000\n    9.2810  -14.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1060  -14.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5184  -13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3434  -13.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7559  -14.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5809  -14.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9934  -15.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\nM  END",
        "smiles": "CC/C=C\\CCO",
        "formula": "C6H12O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
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        "ez_centers": 1,
        "molecular_weight": "100.1591",
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}