{
  "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",
    "results": {
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          "code": "163183-00-4",
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          "code_system": "EPA CompTox"
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          "smiles": "OS(=O)(=O)O",
          "formula": "H2O4S",
          "atropisomerism": "No",
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          "count": 1,
          "stereochemistry": "ACHIRAL",
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          "smiles": "c1cc(ccc1Cn2c(c(cn2)N)N)Cl",
          "formula": "C10H11ClN4",
          "atropisomerism": "No",
          "charge": 0,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
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            "units": "MOL RATIO",
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      "definition_level": "COMPLETE",
      "uuid": "c1a26cdd-1760-45fc-93a7-1175bd7a4da4",
      "version": "4",
      "structure": {
        "id": "8181308a-db5a-4708-b06e-d0af83b2a71e",
        "molfile": "\n  Marvin  01132106432D          \n\n 35 36  0  0  0  0            999 V2000\n    4.2379  -10.1778    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2379  -10.9996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2379   -9.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4116  -10.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0597  -10.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3986  -10.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6846  -10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6846   -9.6028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3538   -9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1345   -9.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0981   -8.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5809   -7.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2710   -8.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0200   -9.1153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3986  -11.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1126  -12.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8265  -11.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5405  -12.0746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   10.8265  -10.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1126  -10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3986  -10.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6846  -10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6846   -9.6028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3538   -9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1345   -9.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0981   -8.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5809   -7.6654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2710   -8.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0200   -9.1153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3986  -11.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1126  -12.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8265  -11.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5405  -12.0746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   10.8265  -10.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1126  -10.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 17 19  2  0  0  0  0\n 19 20  1  0  0  0  0\n 20  6  2  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  1  4  2  0  0  0  0\n  1  5  2  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  9  8  1  0  0  0  0\n  9 10  1  0  0  0  0\n 11  9  2  0  0  0  0\n 11 12  1  0  0  0  0\n 13 11  1  0  0  0  0\n 14 13  2  0  0  0  0\n 14  8  1  0  0  0  0\n  6 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 35 21  2  0  0  0  0\n 21 22  1  0  0  0  0\n 21 30  1  0  0  0  0\n 22 23  1  0  0  0  0\n 24 23  1  0  0  0  0\n 29 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 26 24  2  0  0  0  0\n 26 27  1  0  0  0  0\n 28 26  1  0  0  0  0\n 29 28  2  0  0  0  0\n 30 31  2  0  0  0  0\n 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 32 34  2  0  0  0  0\n 34 35  1  0  0  0  0\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   6   7   8   9  10  11  12  13  14  15  16  17  18  19  20\nM  SAL   1 15  21  22  23  24  25  26  27  28  29  30  31  32  33  34  35\nM  SPA   1 15   6   7   8   9  10  11  12  13  14  15  16  17  18  19  20\nM  SDI   1  4    7.6000  -12.4946    7.6000   -7.2454\nM  SDI   1  4   11.9605   -7.2454   11.9605  -12.4946\nM  SMT   1 2\nM  END",
        "smiles": "c1cc(ccc1Cn2c(c(cn2)N)N)Cl.c1cc(ccc1Cn2c(c(cn2)N)N)Cl.OS(=O)(=O)O",
        "formula": "2C10H11ClN4.H2O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "543.4285",
        "optical_activity": "NONE",
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}