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          "molfile": "\n  Marvin  01132105572D          \n\n 21 21  0  0  0  0            999 V2000\n    5.6272   -3.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0396   -4.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6272   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0396   -5.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6272   -6.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8646   -5.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2772   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8646   -4.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2772   -3.6074    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.8646   -2.8930    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1022   -3.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1022   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3157   -5.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9146   -4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0302   -4.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2772   -6.4653    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.8646   -7.1798    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1022   -6.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8022   -5.0364    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    4.3897   -5.7508    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3897   -4.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  2  8  2  0  0  0  0\n  4  3  2  0  0  0  0\n  3 19  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  7  6  2  0  0  0  0\n  6 16  1  0  0  0  0\n  8  7  1  0  0  0  0\n  7 12  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  2  0  0  0  0\n 12 13  1  0  0  0  0\n 12 14  1  0  0  0  0\n 12 15  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 18  2  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\nM  CHG  6   9   1  10  -1  16   1  17  -1  19   1  20  -1\nM  END",
          "smiles": "Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]",
          "formula": "C12H15N3O6",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "080ff686-93e1-4234-80b1-9cd8522c6042"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "297.2645",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "355bcafc-9630-4597-8c27-03f1cea5ee9e",
      "version": "13",
      "structure": {
        "id": "44f35405-f2ea-4bd2-8f40-43c4352574c2",
        "molfile": "\n  Marvin  01132103382D          \n\n 21 21  0  0  0  0            999 V2000\n    6.0396   -5.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6272   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0396   -4.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8646   -4.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2772   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8646   -5.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2772   -6.4653    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.8646   -7.1798    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1022   -6.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1022   -5.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3157   -5.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9146   -4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0302   -4.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2772   -3.6074    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.8646   -2.8930    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1022   -3.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6272   -3.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8022   -5.0364    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    4.3897   -5.7508    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3897   -4.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6272   -6.4653    0.0000 C   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  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  7  9  2  0  0  0  0\n  5 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  1  0  0  0  0\n 10 13  1  0  0  0  0\n  4 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n  3 17  1  0  0  0  0\n  2 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  2  0  0  0  0\n  1 21  1  0  0  0  0\nM  CHG  6   7   1   8  -1  14   1  15  -1  18   1  19  -1\nM  END",
        "smiles": "Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]",
        "formula": "C12H15N3O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "297.2645",
        "optical_activity": "NONE",
        "references": [
          "46dcfb23-3a79-459b-940c-4752c2e00d59",
          "7f13158c-5189-49af-830a-1475f6ce86f2"
        ],
        "stereo_centers": 0
      },
      "unii": "1ZAO16GU5K"
    }
  ]
}