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          "molfile": "\n  Marvin  01132110352D          \n\n 28 31  0  0  0  0            999 V2000\n    7.3812   -4.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9728   -3.5681    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3783   -2.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7984   -3.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2583   -3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2537   -2.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5399   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8316   -2.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0467   -2.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5594   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0489   -3.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0436   -4.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8323   -3.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5454   -3.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7345   -2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2525   -3.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4662   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7467   -3.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0332   -3.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0340   -2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7454   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4622   -2.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2461   -2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4566   -1.2895    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.6856   -1.9343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4726   -1.1349    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -1.2720   -2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4033   -1.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  2  0  0  0  0\n  5  2  1  0  0  0  0\n  5  6  1  0  0  0  0\n 14  5  2  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 13  2  0  0  0  0\n  9 10  2  3  0  0  0\n 10 11  1  0  0  0  0\n 15 10  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 15 23  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 22 17  2  0  0  0  0\n 19 18  2  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  2  0  0  0  0\n 20 25  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 23 24  1  0  0  0  0\n 25 26  1  0  0  0  0\n 25 27  2  0  0  0  0\n 25 28  2  0  0  0  0\nM  CHG  2  24  -1  26  -1\nM  END",
          "smiles": "c1cc2c(cc1S(=O)(=O)[O-])c(c(C3=Nc4ccc(cc4C3=O)S(=O)(=O)O)[nH]2)[O-]",
          "formula": "C16H8N2O8S2",
          "atropisomerism": "No",
          "charge": -2,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "be474309-e839-450d-812d-5a2d55106c11"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "420.3761",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "5471f08e-5009-40f7-b41f-ead6711cb290",
      "version": "27",
      "structure": {
        "id": "de9320ae-5408-4503-a334-391ddacbb04e",
        "molfile": "\n  Marvin  01132111322D          \n\n 30 31  0  0  0  0            999 V2000\n    0.0340   -2.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0332   -3.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7467   -3.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7454   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4622   -2.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4662   -3.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2525   -3.4257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7345   -2.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2461   -2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5594   -2.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0489   -3.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0467   -2.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8316   -2.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8323   -3.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5454   -3.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2583   -3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2537   -2.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5399   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6856   -1.9343    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9728   -3.5681    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3783   -2.8504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3812   -4.2829    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.7984   -3.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2720   -2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4033   -1.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4726   -1.1349    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.4566   -1.2895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0436   -4.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3216   -0.5543    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.4899   -4.3383    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  5  6  1  0  0  0  0\n 13 14  2  0  0  0  0\n  1  2  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n  2  3  1  0  0  0  0\n 16 17  1  0  0  0  0\n  3  6  2  0  0  0  0\n 17 18  2  0  0  0  0\n 18 13  1  0  0  0  0\n  6  7  1  0  0  0  0\n  1 19  1  0  0  0  0\n  7  8  1  0  0  0  0\n 16 20  1  0  0  0  0\n  8  9  1  0  0  0  0\n 20 21  2  0  0  0  0\n  9  5  1  0  0  0  0\n 20 22  1  0  0  0  0\n 20 23  2  0  0  0  0\n  8 10  2  0  0  0  0\n 19 24  2  0  0  0  0\n 10 11  1  0  0  0  0\n 19 25  2  0  0  0  0\n  5  4  2  0  0  0  0\n 19 26  1  0  0  0  0\n  4  1  1  0  0  0  0\n  9 27  2  0  0  0  0\n 11 14  1  0  0  0  0\n 11 28  2  0  0  0  0\n 13 12  1  0  0  0  0\n 12 10  1  0  0  0  0\nM  CHG  4  22  -1  26  -1  29   1  30   1\nM  END",
        "smiles": "c1cc2c(cc1S(=O)(=O)[O-])C(=O)/C(=C\\3/C(=O)c4cc(ccc4N3)S(=O)(=O)[O-])/N2.[Na+].[Na+]",
        "formula": "C16H8N2O8S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "466.3557",
        "optical_activity": "NONE",
        "references": [
          "77f85599-deda-4c75-bb9a-5333939ffe91",
          "fb03e4d5-f315-42c2-b7ed-e902ea894051"
        ],
        "stereo_centers": 0
      },
      "unii": "D3741U8K7L"
    }
  ]
}