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      "structure": {
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        "molfile": "\n  Marvin  01132111262D          \n\n 23 18  0  0  0  0            999 V2000\n    8.4991   -2.8274    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0\n    2.9090   -2.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9090   -3.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2736   -2.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2736   -3.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9669   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9559   -2.9449    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    1.9559   -4.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2487   -3.4485    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.7855   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3332   -3.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7855   -2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2487   -3.4485    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.7855   -3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3332   -3.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7855   -2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9090   -2.1890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9090   -3.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2736   -2.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2736   -3.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9669   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9559   -2.9449    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    1.9559   -4.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  4  2  0  0  0  0\n  3  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  1  0  0  0  0\n 17 19  2  0  0  0  0\n 18 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 19 22  1  0  0  0  0\n 20 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\nM  CHG  5   1   4   7  -1   9  -1  13  -1  22  -1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1 14   2   3   4   5   6   7   8  17  18  19  20  21  22  23\nM  SPA   1  7   2   3   4   5   6   7   8\nM  SDI   1  4    1.5359   -4.8932    1.5359   -0.9967\nM  SDI   1  4    3.3290   -0.9967    3.3290   -4.8932\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2  8   9  10  11  12  13  14  15  16\nM  SPA   2  4   9  10  11  12\nM  SDI   2  4    4.8287   -3.8685    4.8287   -1.7029\nM  SDI   2  4    6.7532   -1.7029    6.7532   -3.8685\nM  SMT   2 2\nM  END",
        "smiles": "CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(C)[O-].CC(C)[O-].[Ti+4]",
        "formula": "2C5H7O2.2C3H7O.Ti",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "364.2573",
        "optical_activity": "NONE",
        "references": [
          "2174f8a7-493a-4312-aac5-b0cb3c959875",
          "ca91491d-eff6-4c0d-a4cd-1b08269e1236"
        ],
        "stereo_centers": 0
      },
      "unii": "1A47WPG80V"
    }
  ]
}