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        "molfile": "\n  Marvin  01132104242D          \n\n 31 32  0  0  0  0            999 V2000\n    1.3958   -3.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3950   -4.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1082   -4.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1070   -2.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8234   -3.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8214   -4.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5327   -4.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5367   -2.8698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2526   -3.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2496   -4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9619   -4.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6777   -4.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6766   -3.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9637   -2.8772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5256   -5.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8074   -6.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8029   -6.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5152   -7.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2334   -6.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2343   -6.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6766   -2.8695    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.6766   -4.5229    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    6.3892   -2.8724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3892   -4.5258    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    2.1025   -2.0471    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    4.9603   -2.0501    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0\n    4.9458   -5.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6631   -6.1618    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.9370   -4.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1885   -3.7210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.1885   -3.7210    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  3  6  2  0  0  0  0\n 15 16  2  0  0  0  0\n  5  8  1  0  0  0  0\n 16 17  1  0  0  0  0\n  6  7  1  0  0  0  0\n 17 18  2  0  0  0  0\n  7 10  2  0  0  0  0\n 18 19  1  0  0  0  0\n  9  8  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 15  1  0  0  0  0\n  1 21  1  0  0  0  0\n  5  4  2  0  0  0  0\n  2 22  1  0  0  0  0\n  9 10  1  0  0  0  0\n 13 23  2  0  0  0  0\n  4  1  1  0  0  0  0\n 12 24  1  0  0  0  0\n 10 11  1  0  0  0  0\n  4 25  1  0  0  0  0\n  5  6  1  0  0  0  0\n 14 26  1  0  0  0  0\n 11 12  2  0  0  0  0\n  1  2  2  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 20 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 14  9  2  0  0  0  0\n 27 29  2  0  0  0  0\n  2  3  1  0  0  0  0\n  7 15  1  0  0  0  0\nM  CHG  4  21  -1  28  -1  30   1  31   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  30  31\nM  SPA   1  1  30\nM  SDI   1  4    7.7685   -4.1410    7.7685   -3.3010\nM  SDI   1  4    8.6085   -3.3010    8.6085   -4.1410\nM  SMT   1 2\nM  END",
        "smiles": "c1ccc(c(c1)-c2c3cc(c(c(c3oc4-c2cc(c(=O)c4Br)Br)Br)[O-])Br)C(=O)[O-].[Na+].[Na+]",
        "formula": "C20H6Br4O5.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "691.853",
        "optical_activity": "NONE",
        "references": [
          "2571ccd8-a45c-4ffc-978b-addf144a8845",
          "e37bc5f8-47dc-4f76-888b-a0825e8daba2"
        ],
        "stereo_centers": 0
      },
      "unii": "TDQ283MPCW"
    }
  ]
}