{
  "meta": {
    "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.",
    "terms": "https://open.fda.gov/terms/",
    "license": "https://open.fda.gov/license/",
    "last_updated": "2025-09-19",
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          "smiles": "CC(=O)C(C(=O)Nc1ccccc1Cl)/N=N/c2ccc(cc2[N+](=O)[O-])S(=O)(=O)[O-]",
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          "charge": -1,
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          "stereochemistry": "RACEMIC",
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0  0  0  0  0\n    0.8607   -6.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9877   -6.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1627   -4.9727    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.4331   -4.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1475   -4.4497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8620   -4.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5765   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5765   -5.2747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2910   -5.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0055   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0055   -4.4497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.7200   -5.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7200   -6.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0055   -6.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2910   -6.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2910   -4.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8620   -3.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5765   -2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1475   -2.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7186   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0041   -4.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0041   -3.2121    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    2.2897   -2.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7186   -2.7997    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.2897   -4.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2897   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0041   -5.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7186   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5752   -5.6871    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8607   -6.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9877   -6.4016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1627   -4.9727    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 12 11  1  0  0  0  0\n  7 13  1  0  0  0  0\n 13 12  2  0  0  0  0\n  5 14  2  0  0  0  0\n  4 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n  2 18  1  0  0  0  0\n 18 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 20 22  1  0  0  0  0\n 19 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 25 24  1  0  0  0  0\n 18 26  1  0  0  0  0\n 26 25  2  0  0  0  0\n 24 27  1  0  0  0  0\n 27 28  2  0  0  0  0\n 27 29  2  0  0  0  0\n 27 30  1  0  0  0  0\n 31 32  2  0  0  0  0\n 31 47  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 33 44  1  0  0  0  0\n 34 35  1  0  0  0  0\n 34 43  2  0  0  0  0\n 35 36  1  0  0  0  0\n 36 37  2  0  0  0  0\n 36 42  1  0  0  0  0\n 37 38  1  0  0  0  0\n 37 39  1  0  0  0  0\n 39 40  2  0  0  0  0\n 41 40  1  0  0  0  0\n 42 41  2  0  0  0  0\n 44 45  1  0  0  0  0\n 44 46  2  0  0  0  0\n 47 48  2  0  0  0  0\n 47 55  1  0  0  0  0\n 48 49  1  0  0  0  0\n 48 52  1  0  0  0  0\n 49 50  2  0  0  0  0\n 49 51  1  0  0  0  0\n 52 53  2  0  0  0  0\n 54 53  1  0  0  0  0\n 53 56  1  0  0  0  0\n 55 54  2  0  0  0  0\n 56 57  2  0  0  0  0\n 56 58  2  0  0  0  0\n 56 59  1  0  0  0  0\nM  CHG  7   1   2  20   1  22  -1  30  -1  49   1  51  -1  59  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SAL   1 15  17  18  19  20  21  22  23  24  25  26  27  28  29  30  31\nM  SAL   1 15  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46\nM  SAL   1 13  47  48  49  50  51  52  53  54  55  56  57  58  59\nM  SPA   1 15   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16\nM  SPA   1 14  17  18  19  20  21  22  23  24  25  26  27  28  29  30\nM  SDI   1  4    0.4407   -7.3447    0.4407   -2.3797\nM  SDI   1  4    9.1400   -2.3797    9.1400   -7.3447\nM  SMT   1 2\nM  END",
        "smiles": "CC(=O)C(C(=O)Nc1ccccc1Cl)/N=N/c2ccc(cc2[N+](=O)[O-])S(=O)(=O)[O-].CC(=O)C(C(=O)Nc1ccccc1Cl)/N=N/c2ccc(cc2[N+](=O)[O-])S(=O)(=O)[O-].[Ca+2]",
        "formula": "2C16H12ClN4O7S.Ca",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "919.6955",
        "optical_activity": "( + / - )",
        "references": [
          "5f31486e-3d01-4f71-a61e-40d195650266",
          "da877cdf-95fe-4ed7-88ed-ce3e47e1fd3b"
        ],
        "stereo_centers": 2
      },
      "unii": "YOC53AXA3Q"
    }
  ]
}