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0\n 42 41  1  0  0  0  0\n 43 42  1  0  0  0  0\n 43 44  1  0  0  0  0\n 45 43  1  0  0  0  0\nM  CHG  5   1   4   5  -1   6  -1  26  -1  46  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   6   7   8   9  10  11  12  13  14  15  16  17  18  19  20\nM  SAL   1 15  21  22  23  24  25  26  27  28  29  30  31  32  33  34  35\nM  SAL   1 15  36  37  38  39  40  41  42  43  44  45  46  47  48  49  50\nM  SAL   1 15  51  52  53  54  55  56  57  58  59  60  61  62  63  64  65\nM  SPA   1 15   6   7   8   9  10  11  12  13  14  15  16  17  18  19  20\nM  SPA   1  5  21  22  23  24  25\nM  SDI   1  4   -3.2244   -6.1500   -3.2244   -3.2475\nM  SDI   1  4    9.7617   -3.2475    9.7617   -6.1500\nM  SMT   1 3\nM  END",
        "smiles": "CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)CCCCCCCCCCCCCCC(=O)[O-].CC(C)[O-].[Ti+4]",
        "formula": "3C18H35O2.C3H7O.Ti",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "957.3639",
        "optical_activity": "NONE",
        "references": [
          "0bb84928-6289-4a7b-9bac-17c968f35802",
          "69de5030-a8d6-4440-8bee-b0768ad001f3"
        ],
        "stereo_centers": 0
      },
      "unii": "949E3KBJ1I"
    }
  ]
}