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        "molfile": "\n  Marvin  01132102202D          \n\n 35 35  0  0  0  0            999 V2000\n    5.1985   -2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1985   -2.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4828   -3.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7626   -2.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7626   -2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4828   -1.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9140   -3.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9140   -4.2459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6216   -4.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3418   -4.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0657   -4.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7814   -4.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4889   -4.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4889   -5.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7814   -5.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0657   -5.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3418   -5.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6216   -5.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9140   -5.8946    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1985   -6.3168    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.3245   -6.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5001   -5.1789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2127   -5.8946    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7987   -6.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6232   -5.1789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9283   -6.3050    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.7814   -3.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4889   -2.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4889   -2.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2127   -3.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3418   -3.4097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9140   -1.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6216   -2.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2489   -4.3710    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    1.2489   -4.3710    0.0000 Na  0  3  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  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  1  6  2  0  0  0  0\n  2  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  9  1  0  0  0  0\n  9 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  2  0  0  0  0\n 13 14  1  0  0  0  0\n 15 14  2  0  0  0  0\n 16 15  1  0  0  0  0\n 11 16  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n  9 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  2  0  0  0  0\n 19 22  2  0  0  0  0\n 14 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 23 25  2  0  0  0  0\n 23 26  1  0  0  0  0\n 12 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 28 30  1  0  0  0  0\n 10 31  1  0  0  0  0\n  1 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  4  20  -1  26  -1  34   1  35   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  34  35\nM  SPA   1  1  34\nM  SDI   1  4    0.8289   -4.7910    0.8289   -3.9510\nM  SDI   1  4    1.6689   -3.9510    1.6689   -4.7910\nM  SMT   1 2\nM  END",
        "smiles": "CC(=O)Nc1cc(cc2cc(c(c(c21)O)/N=N/c3ccccc3OC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C19H15N3O9S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "539.4496",
        "optical_activity": "NONE",
        "references": [
          "a99e139a-c8fe-4fe9-97fb-ab9ec8d2cb02",
          "6ef754c7-951a-4807-8e94-91f890ec0684"
        ],
        "stereo_centers": 0
      },
      "unii": "6S9X6LIT4A"
    }
  ]
}