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        "molfile": "\n  Marvin  01132103382D          \n\n 29 24  0  0  0  0            999 V2000\n    6.7151   -5.2654    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0\n    5.9239   -4.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0978   -4.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6866   -3.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6809   -5.2229    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    5.0891   -5.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9188   -5.9423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6739   -6.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2924   -3.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0043   -2.8824    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    7.7198   -3.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4329   -2.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7198   -4.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5777   -2.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2924   -4.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2911   -6.2648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2911   -7.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0063   -7.5076    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    7.7231   -7.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7231   -6.2607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4338   -7.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5761   -7.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8984   -4.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0724   -4.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3062   -5.2643    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0\n    8.8892   -5.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0596   -5.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2950   -6.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3192   -3.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n 13 11  2  0  0  0  0\n  9 14  1  0  0  0  0\n  9 15  2  0  0  0  0\n  3  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  6  8  1  0  0  0  0\n 16 17  2  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 17 22  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 11 12  1  0  0  0  0\n 23 24  2  0  0  0  0\n 25 23  1  0  0  0  0\n 26 25  1  0  0  0  0\n 27 26  2  0  0  0  0\n 26 28  1  0  0  0  0\n 23 29  1  0  0  0  0\nM  CHG  5   1   4   5  -1  10  -1  18  -1  25  -1\nM  END",
        "smiles": "CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zr+4]",
        "formula": "4C5H7O2.Zr",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "487.6559",
        "optical_activity": "NONE",
        "references": [
          "78450ad3-0da0-4982-ba98-63b8589c9565",
          "8bee8b7c-40b5-4296-9f06-495fde3206ce"
        ],
        "stereo_centers": 0
      },
      "unii": "15NW5BA32K"
    }
  ]
}