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      "structure": {
        "id": "7ee1ec06-1fb0-47e1-9568-e7473f0fad5c",
        "molfile": "\n  Marvin  01132106352D          \n\n 46 47  0  0  0  0            999 V2000\n   24.1342  -22.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.3026  -22.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.8497  -23.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   22.0247  -23.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.5850  -23.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.7399  -23.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3679  -23.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.8211  -22.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.6461  -22.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5566  -22.9941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   19.0834  -23.6298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2719  -23.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8999  -22.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0548  -22.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.6152  -23.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9939  -24.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5342  -24.9685    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9661  -25.5703    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.8850  -24.4479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.0885  -25.5838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8187  -24.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.7904  -23.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.4387  -22.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6139  -22.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1742  -23.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3291  -23.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.9572  -22.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1458  -22.6019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6726  -23.2849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8611  -23.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4080  -23.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5831  -23.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2044  -23.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3795  -23.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9265  -23.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0948  -23.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6440  -22.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4891  -22.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4103  -21.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2352  -22.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6949  -21.3038    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2629  -20.6885    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   15.3441  -21.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1405  -20.6885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7663  -26.7498    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   11.7663  -26.7498    0.0000 Na  0  3  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  4  3  1  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  2  0  0  0  0\n  7  8  1  0  0  0  0\n  9  4  1  0  0  0  0\n  8  9  2  0  0  0  0\n 10  7  1  0  0  0  0\n 11 10  2  0  0  0  0\n 12 11  1  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 15 16  1  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 17 20  2  0  0  0  0\n 21 12  1  0  0  0  0\n 16 21  2  0  0  0  0\n 22 15  1  0  0  0  0\n 23 22  2  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  2  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  2  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  1  0  0  0  0\n 37 33  2  0  0  0  0\n 38 37  1  0  0  0  0\n 30 38  2  0  0  0  0\n 39 27  2  0  0  0  0\n 40 39  1  0  0  0  0\n 24 40  2  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  1  0  0  0  0\n 41 43  2  0  0  0  0\n 41 44  2  0  0  0  0\nM  CHG  4  18  -1  42  -1  45   1  46   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  45  46\nM  SPA   1  1  45\nM  SDI   1  4   11.3463  -27.1698   11.3463  -26.3298\nM  SDI   1  4   12.1863  -26.3298   12.1863  -27.1698\nM  SMT   1 2\nM  END",
        "smiles": "CCOc1ccc(cc1)/N=N/c2ccc(/C=C/c3ccc(cc3S(=O)(=O)[O-])/N=N/c4ccc(cc4)OCC)c(c2)S(=O)(=O)[O-].[Na+].[Na+]",
        "formula": "C30H26N4O8S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 3,
        "molecular_weight": "680.6623",
        "optical_activity": "NONE",
        "references": [
          "425aa5b0-7267-48ac-ae01-84fd2d4cb89e",
          "4beb8922-2ba3-4ff3-810f-584f6d90378e"
        ],
        "stereo_centers": 0
      },
      "unii": "8Q5531T139"
    }
  ]
}