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          "molfile": "\n  Marvin  01132100402D          \n\n  7  6  0  0  0  0            999 V2000\n    4.3164   -3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7329   -4.4604    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    5.1448   -3.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4503   -4.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0156   -4.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2982   -4.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5808   -4.8723    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  2  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\nM  CHG  2   2   1   7  -1\nM  END",
          "smiles": "C[N+](C)(C)CC[O-]",
          "formula": "C5H13NO",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "RACEMIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "6442bfce-ca15-4973-a3c7-cd3c78738cc8"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "103.163",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
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          "id": "bc1fe76e-a1fc-4e2c-86a6-34b3f9db79eb",
          "molfile": "\n  Marvin  01132109442D          \n\n 13 12  0  0  0  0            999 V2000\n    7.0864   -6.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6742   -5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0865   -4.8415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4984   -5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0817   -4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6697   -4.2535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0817   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6743   -3.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4983   -3.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0909   -2.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6697   -5.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4936   -5.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0817   -6.0129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  2  0  0  0  0\n  2  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  5  1  0  0  0  0\n 11  5  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  8  2  0  0  0  0\n 12 11  1  0  0  0  0\n 13 11  2  0  0  0  0\nM  END",
          "smiles": "C(C(=O)O)C(CC(=O)O)(C(=O)O)O",
          "formula": "C6H8O7",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "bb39d194-c990-4ded-9c43-ba9c2ac45afc"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "192.1238",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "2beafd2c-61d9-4270-a098-35ee15e4091a",
      "version": "10",
      "structure": {
        "id": "73d384e9-a857-42af-b27f-e1f57860090b",
        "molfile": "\n  Marvin  01132106002D          \n\n 24 18  0  0  0  0            999 V2000\n    9.0788   -4.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4956   -5.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6718   -5.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0840   -6.0109    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.0841   -4.8399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6666   -5.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4903   -5.4323    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0788   -6.0109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6666   -4.2521    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0788   -4.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6712   -3.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4950   -3.4329    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.0880   -2.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7329   -4.4604    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    4.0156   -4.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2982   -4.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5808   -4.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3164   -3.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1448   -3.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4503   -4.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0688   -4.3841    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0\n   12.3920   -4.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3920   -4.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.3920   -4.3736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  9  1  1  0  0  0  0\n 10  1  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 11  2  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 14  1  0  0  0  0\n 19 14  1  0  0  0  0\n 20 14  1  0  0  0  0\n  5  3  2  0  0  0  0\n  6  1  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  6  2  0  0  0  0\nM  CHG  6   4  -1   7  -1   9  -1  12  -1  14   1  21   3\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  3  22  23  24\nM  SPA   1  1  22\nM  SDI   1  4   11.9720   -4.7936   11.9720   -3.9536\nM  SDI   1  4   12.8120   -3.9536   12.8120   -4.7936\nM  SMT   1 3\nM  END",
        "smiles": "C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])[O-].C[N+](C)(C)CCO.[Fe+3].O.O.O",
        "formula": "C6H4O7.C5H14NO.Fe.3H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "402.154",
        "optical_activity": "NONE",
        "references": [
          "93ca7deb-4254-4060-a193-4c7fb9aa20cb",
          "adf55da0-b78b-43e3-8ce8-7494c9231f00",
          "dd316250-ea0d-4d83-b92a-55874b34f0a4"
        ],
        "stereo_centers": 0
      },
      "unii": "LWI5ZJ8WVL"
    }
  ]
}