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          "id": "2a18350e-5867-436d-a340-ac187e13c308",
          "molfile": "\n  Marvin  01132102172D          \n\n 21 22  0  0  0  0            999 V2000\n    4.1162   -0.9627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.1194   -1.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8332   -2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8297   -3.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1123   -3.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1074   -4.2650    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.3918   -4.6724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8180   -4.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4031   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6893   -3.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9808   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9808   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6893   -1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4066   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1815   -1.9866    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4034   -1.1901    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.3846   -1.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9618   -2.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5456   -1.7941    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.2607   -2.2038    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.5428   -0.9699    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 14  2  2  0  0  0  0\n  4  3  2  0  0  0  0\n  3 19  1  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  9  5  2  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  2  0  0  0  0\n 10  9  1  0  0  0  0\n 14  9  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  0  0  0  0\n 12 13  2  0  0  0  0\n 12 15  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n 15 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   1  -1   6   1   7  -1  16  -1  19   1  20  -1\nM  END",
          "smiles": "c1cc2c(cc1S(=O)(=O)[O-])c(c(cc2[N+](=O)[O-])[N+](=O)[O-])[O-]",
          "formula": "C10H4N2O8S",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "907ba0e4-feb4-443c-bab9-ba9350118e39"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "312.2139",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "0f64456f-dbe0-43bb-9327-9f7af73d2e0e",
      "version": "14",
      "structure": {
        "id": "0bffe2b4-be42-45b1-a21b-4aed6e230167",
        "molfile": "\n  Marvin  01132100522D          \n\n 23 22  0  0  0  0            999 V2000\n    1.9808   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9808   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6893   -3.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6893   -1.7883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4066   -2.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4031   -3.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1123   -3.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8297   -3.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8332   -2.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1194   -1.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1815   -1.9866    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1162   -0.9627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.5456   -1.7941    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.2607   -2.2038    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.5428   -0.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1074   -4.2650    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.3918   -4.6724    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.8180   -4.6809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4034   -1.1901    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.3846   -1.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9618   -2.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4476   -3.9324    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.4476   -3.9324    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  5  4  1  0  0  0  0\n  1 11  1  0  0  0  0\n  5  6  2  0  0  0  0\n 10 12  1  0  0  0  0\n  9 13  1  0  0  0  0\n  1  2  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  2  0  0  0  0\n  1  4  2  0  0  0  0\n  7 16  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  6  1  0  0  0  0\n 16 17  1  0  0  0  0\n 16 18  2  0  0  0  0\n  5 10  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n 11 19  1  0  0  0  0\n 11 20  2  0  0  0  0\n 11 21  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\nM  CHG  8  12  -1  13   1  14  -1  16   1  17  -1  19  -1  22   1  23   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  22  23\nM  SPA   1  1  22\nM  SDI   1  4    7.0276   -4.3524    7.0276   -3.5124\nM  SDI   1  4    7.8676   -3.5124    7.8676   -4.3524\nM  SMT   1 2\nM  END",
        "smiles": "c1cc2c(cc1S(=O)(=O)[O-])c(c(cc2[N+](=O)[O-])[N+](=O)[O-])[O-].[Na+].[Na+]",
        "formula": "C10H4N2O8S.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "358.1934",
        "optical_activity": "NONE",
        "references": [
          "f71e7faa-6dd1-4824-a50e-5b65c7636149",
          "55cb4f99-70e1-4c3d-8381-91269032915c"
        ],
        "stereo_centers": 0
      },
      "unii": "08F8S9O3I5"
    }
  ]
}