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        "molfile": "\n  Marvin  01132112132D          \n\n 14 13  0  0  1  0            999 V2000\n   -3.8775   -4.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7013   -4.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9634   -3.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6279   -3.8110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0\n   -4.2894   -3.3200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3949   -5.2671    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   -2.9165   -3.3867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n   -5.7497   -3.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1881   -5.2589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2467   -3.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2175   -2.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9165   -2.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9706   -4.3103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6918   -5.2671    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  1  1  0  0  0  0\n  7  4  1  0  0  0  0\n  8  3  2  0  0  0  0\n  9  2  1  0  0  0  0\n 10  7  1  0  0  0  0\n 11 12  1  0  0  0  0\n  7 12  1  6  0  0  0\n  4 13  1  1  0  0  0\n  5  3  1  0  0  0  0\nM  CHG  2   6  -1  14   1\nM  END",
        "smiles": "C([C@@H]([C@]1([H])C(=C(C(=O)O1)O)[O-])O)O.[Na+]",
        "formula": "C6H7O6.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "198.1062",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "68452b45-ab59-4d24-880d-021919f87bca",
          "5397d323-ab3c-4a15-9b47-255269eb6b29",
          "affb4435-8fd9-425e-a575-18a4e6805dd9"
        ],
        "stereo_centers": 2
      },
      "unii": "S033EH8359"
    }
  ]
}