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      "structure": {
        "id": "3eb66750-863a-49c3-a7c7-14e15e32a6fe",
        "molfile": "\n  Marvin  01132103192D          \n\n 29 31  0  0  0  0            999 V2000\n    3.2481   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2481    0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5326   -0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0358   -0.5994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5326    0.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0358    0.7343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8171   -0.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5128    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8171    0.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0984   -0.7532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3413    0.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4864   -0.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3012   -0.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6214    0.5837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8160    0.1412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5147   -1.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5879   -0.1287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3275   -1.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0533   -1.8735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2219    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0002    0.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0744    1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6341    0.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.1539   -0.6747    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -2.6989    1.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4740    1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5294   -1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9290   -0.9478    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -4.1110    2.0085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  1  0  0  0  0\n  2  5  1  0  0  0  0\n  2  6  1  0  0  0  0\n  3  7  2  0  0  0  0\n  4  8  1  0  0  0  0\n  5  9  2  0  0  0  0\n  7 10  1  0  0  0  0\n  8 11  2  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\n 13 15  1  0  0  0  0\n 13 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n 16 18  1  0  0  0  0\n 16 19  2  0  0  0  0\n 17 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  2  0  0  0  0\n 21 23  2  0  0  0  0\n 21 24  1  0  0  0  0\n 22 25  1  0  0  0  0\n 23 26  1  0  0  0  0\n 24 27  2  0  0  0  0\n 24 28  1  0  0  0  0\n 26 29  1  0  0  0  0\n  6  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n 25 26  2  0  0  0  0\nM  CHG  2  24   1  28  -1\nM  END",
        "smiles": "CC(=O)C(C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)/N=N/c3ccc(cc3[N+](=O)[O-])Cl",
        "formula": "C17H13ClN6O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "416.7759",
        "optical_activity": "( + / - )",
        "references": [
          "e4b16895-4f7e-4e85-9802-f264b24c4377",
          "2ccfdfbd-0ec9-47fb-8896-48bf095446dd"
        ],
        "stereo_centers": 1
      },
      "unii": "649L6L708A"
    }
  ]
}