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          "molfile": "\n  Marvin  01132104342D          \n\n 14 14  0  0  0  0            999 V2000\n    7.2490   -4.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5395   -4.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5403   -5.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8271   -4.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1176   -4.6815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4052   -4.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6975   -4.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4427   -5.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6140   -5.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3593   -4.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0298   -4.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6458   -4.2715    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.9334   -4.6815    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.6465   -3.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  2  0  0  0  0\n  7 11  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 10 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  2  0  0  0  0\nM  CHG  2  12   1  13  -1\nM  END",
          "smiles": "c1cc([N+](=O)[O-])oc1/C=N/NC(=O)N",
          "formula": "C6H6N4O4",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a39739de-7388-4606-8083-742918d4331e"
          },
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          "ez_centers": 1,
          "molecular_weight": "198.1365",
          "optical_activity": "NONE",
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      ],
      "definition_level": "COMPLETE",
      "uuid": "1fecb3ef-5ee1-40e3-8ad2-88a753a9c6e6",
      "version": "35",
      "structure": {
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        "molfile": "\n  Marvin  01132107392D          \n\n 14 14  0  0  0  0            999 V2000\n    3.0298   -4.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3593   -4.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6140   -5.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4427   -5.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6975   -4.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4052   -4.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1176   -4.6815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8271   -4.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5395   -4.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2490   -4.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6458   -4.2715    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.9334   -4.6815    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.6465   -3.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5403   -5.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  6  7  2  0  0  0  0\n  1  2  1  0  0  0  0\n  7  8  1  0  0  0  0\n  3  4  1  0  0  0  0\n  8  9  1  0  0  0  0\n  4  5  2  0  0  0  0\n  9 10  1  0  0  0  0\n  5  1  1  0  0  0  0\n  2 11  1  0  0  0  0\n  2  3  2  0  0  0  0\n 11 12  1  0  0  0  0\n  5  6  1  0  0  0  0\n 11 13  2  0  0  0  0\n  9 14  2  0  0  0  0\nM  CHG  2  11   1  12  -1\nM  END",
        "smiles": "c1cc([N+](=O)[O-])oc1/C=N/NC(=O)N",
        "formula": "C6H6N4O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "198.1365",
        "optical_activity": "NONE",
        "references": [
          "76205351-8e14-4aae-baee-27ec3015d9a4",
          "992577cc-d714-4e55-a755-632eb696e4a5",
          "403c2485-523b-4103-9b25-62c3092210fd"
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      "unii": "X8XI70B5Z6"
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}