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          "molfile": "\n  Marvin  01132107182D          \n\n 25 27  0  0  0  0            999 V2000\n    5.0870   -5.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3745   -5.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3664   -6.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6444   -6.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9277   -6.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2155   -6.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5065   -6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5156   -5.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2337   -5.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9368   -5.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6565   -5.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6568   -4.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2441   -3.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2383   -2.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9549   -1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9493   -1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2310   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5144   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5224   -1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8023   -2.3603    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.0973   -1.9418    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.7929   -3.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2266    0.1163    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.9358    0.5350    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.5130    0.5215    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 11  2  2  0  0  0  0\n  4  3  2  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5 10  2  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  2  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 19 14  2  0  0  0  0\n 15 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 17 23  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  2  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  2  0  0  0  0\nM  CHG  4  20   1  21  -1  23   1  24  -1\nM  END",
          "smiles": "c1ccc2c(c1)ccc(c2/N=N/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])O",
          "formula": "C16H10N4O5",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a170d721-4a70-4aff-8607-0461bffb998b"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "338.275",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "7ea6ae6b-dd67-4ae7-8c1b-390401fa545f",
      "version": "9",
      "structure": {
        "id": "eaa0fab5-6acd-4768-9d4d-891254012a5d",
        "molfile": "\n  Marvin  01132112082D          \n\n 25 27  0  0  0  0            999 V2000\n    3.6565   -5.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6444   -6.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3664   -6.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3745   -5.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9277   -6.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9368   -5.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2337   -5.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5156   -5.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5065   -6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2155   -6.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0870   -5.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6568   -4.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2441   -3.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2383   -2.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9549   -1.9435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9493   -1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2310   -0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5144   -1.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5224   -1.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8023   -2.3603    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.2266    0.1163    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.9358    0.5350    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.5130    0.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0973   -1.9418    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.7929   -3.1835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n 12 13  2  0  0  0  0\n  1  4  1  0  0  0  0\n 13 14  1  0  0  0  0\n  5  2  2  0  0  0  0\n 14 15  2  0  0  0  0\n  2  3  1  0  0  0  0\n 15 16  1  0  0  0  0\n  3  4  2  0  0  0  0\n 16 17  2  0  0  0  0\n  5 10  1  0  0  0  0\n 17 18  1  0  0  0  0\n  6  7  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 14  1  0  0  0  0\n  7  8  2  0  0  0  0\n 19 20  1  0  0  0  0\n  8  9  1  0  0  0  0\n 17 21  1  0  0  0  0\n  9 10  2  0  0  0  0\n  5  6  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  2  0  0  0  0\n  4 11  1  0  0  0  0\n  1  6  2  0  0  0  0\n 20 24  1  0  0  0  0\n 20 25  2  0  0  0  0\n 12  1  1  0  0  0  0\nM  CHG  4  20   1  21   1  22  -1  24  -1\nM  END",
        "smiles": "c1ccc2c(c1)ccc(c2/N=N/c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])O",
        "formula": "C16H10N4O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "338.275",
        "optical_activity": "NONE",
        "references": [
          "e54bd616-3f3d-4bf7-88bc-1f28647b20a6",
          "30eed887-a666-40d4-85e2-4825e625ae40"
        ],
        "stereo_centers": 0
      },
      "unii": "E27LT0986O"
    }
  ]
}