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      "structure": {
        "id": "3a9da61a-ab9b-4332-bc48-488deb466046",
        "molfile": "\n  Marvin  01132103072D          \n\n 36 37  0  0  0  0            999 V2000\n    4.9818    0.0023    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3850    0.4529    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.5259    0.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4819   -0.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4479   -1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3671   -1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5578   -1.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2728   -1.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6521   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9372   -1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9372   -0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6563   -0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3671   -0.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2179   -1.6669    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    2.6646    0.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2139   -0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5578   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6521   -2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9878   -1.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3796    1.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9537    1.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2686    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9878   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4479   -2.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1629   -3.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1629   -4.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7371   -4.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7371   -3.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4479   -4.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4479   -5.4664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8820   -4.6516    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    3.0179   -4.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8820   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2988   -4.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0221   -5.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2681    0.0042    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n 14 10  1  0  0  0  0\n 15 12  1  0  0  0  0\n 16 11  1  0  0  0  0\n 17  7  1  0  0  0  0\n 18  9  1  0  0  0  0\n 19  8  1  0  0  0  0\n 20 15  1  0  0  0  0\n 21 15  1  0  0  0  0\n 22 17  2  0  0  0  0\n 23 22  1  0  0  0  0\n 19 23  2  0  0  0  0\n 11 10  2  0  0  0  0\n  4  1  2  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  6  5  1  0  0  0  0\n  7  5  1  0  0  0  0\n  8  7  2  0  0  0  0\n  9  6  2  0  0  0  0\n 10  9  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  2  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  2  0  0  0  0\n 27 28  2  0  0  0  0\n 28 24  1  0  0  0  0\n 29 27  1  0  0  0  0\n 30 29  2  0  0  0  0\n 31 26  1  0  0  0  0\n 32 27  1  0  0  0  0\n 33 25  1  0  0  0  0\n 34 32  1  0  0  0  0\n 35 32  1  0  0  0  0\n 29 26  1  0  0  0  0\n  5 24  2  0  0  0  0\n  1 17  1  0  0  0  0\n 13  6  1  0  0  0  0\nM  CHG  2   2  -1  36   1\nM  END",
        "smiles": "CC(C)c1cc(c(C)c(c1O)Br)/C(=C/2\\C=C(C(C)C)C(=O)C(=C2C)Br)/c3ccccc3S(=O)(=O)[O-].[Na+]",
        "formula": "C27H27Br2O5S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "646.3642",
        "optical_activity": "NONE",
        "references": [
          "dc4b3700-42f9-4935-a2b4-6057ea96e1ba",
          "d29dabce-e0d8-44a5-a95f-8851165e7326"
        ],
        "stereo_centers": 0
      },
      "unii": "CFN0FBC3YH"
    }
  ]
}