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        "molfile": "\n  Marvin  01132112382D          \n\n 21 22  0  0  0  0            999 V2000\n    2.8621   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1472   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5821   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8621   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1472   -2.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4323   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5821   -2.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2969   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8621   -3.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4323   -3.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4323   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7149   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0144   -2.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7293   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4323   -4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7149   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8621   -4.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1472   -4.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  1  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  3  0  0  0  0\n  6  2  1  0  0  0  0\n  7  2  1  0  0  0  0\n  8  3  2  0  0  0  0\n  9  3  1  0  0  0  0\n 10  6  2  0  0  0  0\n 11  6  1  0  0  0  0\n 12  7  1  0  0  0  0\n 13  7  2  0  0  0  0\n 14  9  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 11  2  0  0  0  0\n 17 12  2  0  0  0  0\n 18 13  1  0  0  0  0\n 19 10  1  0  0  0  0\n 20 16  1  0  0  0  0\n 21 18  2  0  0  0  0\n 21 17  1  0  0  0  0\n 20 19  2  0  0  0  0\nM  END",
        "smiles": "CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N",
        "formula": "C18H15NO2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "277.3179",
        "optical_activity": "NONE",
        "references": [
          "4542d7a0-7c37-4947-a5e7-03d6fbac0d44",
          "74df5b11-b5bb-4c9c-8302-b24b4a3c81a9",
          "b1cb5c27-8b49-4695-999e-7464637bd0bd"
        ],
        "stereo_centers": 0
      },
      "unii": "974109G71I"
    }
  ]
}