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        "molfile": "\n  Marvin  01132107112D          \n\n 13 13  0  0  0  0            999 V2000\n    5.4553   -3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2803   -3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6928   -4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2803   -4.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4554   -4.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0428   -4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2178   -4.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0429   -5.4489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4554   -6.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8678   -6.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5178   -4.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9303   -4.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3428   -5.4489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  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  2  0  0  0  0\n  6  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  2  0  0  0  0\n  3 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 12 13  2  0  0  0  0\nM  END",
        "smiles": "Cc1ccc(cc1N=C=O)N=C=O",
        "formula": "C9H6N2O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "174.1565",
        "optical_activity": "NONE",
        "references": [
          "377e9fe0-ba76-4bed-b529-f2730613f964",
          "3af6bbcb-8ae1-4fd5-adf6-b68715afe426"
        ],
        "stereo_centers": 0
      },
      "modifications": {
        "uuid": "cd4812e7-09f9-46fb-91eb-a22d504fddab"
      },
      "unii": "17X7AFZ1GH"
    }
  ]
}