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          "molfile": "\n  Marvin  01132100582D          \n\n 20 21  0  0  0  0            999 V2000\n    2.8565    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1434    0.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4247    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7161    0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0089    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.7182    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4288    1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1455    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8606    1.6515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5745    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2897    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2897    2.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9992    2.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7170    2.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7170    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9992    1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4310    2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1451    3.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0178    3.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8442    2.1735    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  2  8  2  0  0  0  0\n  4  3  2  0  0  0  0\n  4  5  1  0  0  0  0\n  6  4  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 11 16  2  0  0  0  0\n 13 12  2  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  2  0  0  0  0\n 17 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19 17  2  0  0  0  0\n 17 20  2  0  0  0  0\nM  CHG  1   5  -1\nM  END",
          "smiles": "c1cc(ccc1/N=N/c2ccc(cc2O)[O-])S(=O)(=O)O",
          "formula": "C12H9N2O5S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "d5d1be36-40ac-418f-ae9b-7f85b3aa1729"
          },
          "defined_stereo": 0,
          "ez_centers": 1,
          "molecular_weight": "293.2768",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "a2f1c73b-d82c-4966-ae07-674b0dc428fa",
      "version": "8",
      "structure": {
        "id": "b0c0d5a2-cd2d-4701-9c5b-ceee1ac15568",
        "molfile": "\n  Marvin  01132109102D          \n\n 21 21  0  0  0  0            999 V2000\n    6.0178    3.6016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4310    2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8442    2.1735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7170    2.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9992    2.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2897    2.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2897    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9992    1.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7170    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5745    1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8606    1.6515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1455    1.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4288    1.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7182    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7161    0.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4247    0.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1434    0.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8565    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1451    3.3008    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -0.1237    4.2681    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  2  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  9  4  2  0  0  0  0\n  7 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 12  2  0  0  0  0\n 17 18  1  0  0  0  0\n 15 19  1  0  0  0  0\n  2 20  1  0  0  0  0\nM  CHG  2  20  -1  21   1\nM  END",
        "smiles": "c1cc(ccc1/N=N/c2ccc(cc2O)O)S(=O)(=O)[O-].[Na+]",
        "formula": "C12H9N2O5S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "316.2666",
        "optical_activity": "NONE",
        "references": [
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          "c6b1128b-54e6-4a3f-bfc2-6da48af63c85"
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      "unii": "NF91VMI73L"
    }
  ]
}