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        "molfile": "\n  Marvin  01132112092D          \n\n 18 18  0  0  0  0            999 V2000\n   -0.7247    0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0064    0.8338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7247   -0.4233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4463    0.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7247    0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0064   -0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1582    0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7247   -0.4233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4366    0.8338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0064   -1.6644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8765    0.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4366    1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7247   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5853    0.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1454    2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7247   -2.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1454    2.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4366   -3.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  3  6  2  0  0  0  0\n  4  7  1  0  0  0  0\n  5  8  2  0  0  0  0\n  5  9  1  0  0  0  0\n  6 10  1  0  0  0  0\n  7 11  1  0  0  0  0\n  9 12  1  0  0  0  0\n 10 13  1  0  0  0  0\n 11 14  2  0  0  0  0\n 12 15  1  0  0  0  0\n 13 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n 16 18  2  0  0  0  0\n  6  8  1  0  0  0  0\nM  END",
        "smiles": "C=CCOc1nc(nc(n1)OCC=C)OCC=C",
        "formula": "C12H15N3O3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "249.2663",
        "optical_activity": "NONE",
        "references": [
          "593956b3-1b05-46ae-a983-be1c7406e8bc",
          "9a96d8f5-22cf-46ca-906b-df498ddbd2a7"
        ],
        "stereo_centers": 0
      },
      "unii": "CDD3388O1D"
    }
  ]
}