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      "structure": {
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        "molfile": "\n  Marvin  01132113022D          \n\n 34 30  0  0  0  0            999 V2000\n   -1.6001   -0.2807    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0\n   -2.8913   -0.2246    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.9910   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7054   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4198   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1343   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8488   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5632   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2777   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9922   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7066   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4210   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1355   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8500   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5644   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2789   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2765   -0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9910    0.5512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.9910   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7054   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4198   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1343   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8488   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5632   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2777   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9922   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7066   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4210   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1355   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8500   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5644   -0.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2789   -0.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2765   -0.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9910    0.5512    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n  3 17  2  0  0  0  0\n  3 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 33  2  0  0  0  0\n 19 34  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  1  0  0  0  0\nM  CHG  4   1   3   2  -1  18  -1  34  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17\nM  SAL   1 15  18  19  20  21  22  23  24  25  26  27  28  29  30  31  32\nM  SAL   1  2  33  34\nM  SPA   1 15   3   4   5   6   7   8   9  10  11  12  13  14  15  16  17\nM  SPA   1  1  18\nM  SDI   1  4   -0.1435   -1.1063   -0.1435    0.9712\nM  SDI   1  4   10.6989    0.9712   10.6989   -1.1063\nM  SMT   1 2\nM  END",
        "smiles": "CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Al+3].[OH-]",
        "formula": "2C14H27O2.Al.HO",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "498.7159",
        "optical_activity": "NONE",
        "references": [
          "a99a2ccc-a971-4165-921a-09f317d0a5f1",
          "1dadb368-9db5-4fd7-a21e-75d6b2e1b457"
        ],
        "stereo_centers": 0
      },
      "unii": "J2KA067N9O"
    }
  ]
}